smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CC(=O)c1c(F)cccc1N[C@@H]1CCO[C@@H](c2ccccc2)C1	160631716	VJCPQXJYGGKHCZ-CRAIPNDOSA-N	313.372	4.361	70	20	DIID	
C[C@@H](c1ccc(F)cc1)N(C)Cc1noc(C2CCCCC2)n1	160795026	MGOIHNCANAXBAQ-ZDUSSCGKSA-N	317.408	4.449	70	20	DIID	
CC[C@@H]1CCCC[C@H]1N(C)C(=O)c1coc(Br)c1	160802670	AVIWBPYCKXFBEX-ZYHUDNBSSA-N	314.223	4.083	70	20	DIID	
CCCCn1ncc(C(=O)N(C2CCC(C)CC2)C2CC2)c1C	161026937	ZLJTZSBVRRBCRV-UHFFFAOYSA-N	317.477	4.175	70	20	DIID	
CCOc1ccc(NCc2noc(C3CCCCC3)n2)cc1	161174399	NUCLHRUYDYCYFG-UHFFFAOYSA-N	301.390	4.128	70	20	DIID	
Cc1ccc(OCCCn2nc(C3CC3)nc2C2CC2)cc1C	161454406	XEEGKWOVDGUZAT-UHFFFAOYSA-N	311.429	4.119	70	20	DIID	
Cc1noc(C)c1[C@H](C)CC(=O)N[C@H]1CCCc2sccc21	159883927	YOESKYBZCMPHTQ-YGRLFVJLSA-N	318.442	4.040	70	20	DIID	
CSCc1ccc(NC(=O)C[C@@H](C)c2ccncc2)cc1	160383257	CWVSSJFQZYRTNB-CYBMUJFWSA-N	300.427	4.077	70	20	DIID	
CC(C)(C)c1nnc(N[C@@H]2CCO[C@H](c3ccccc3)C2)s1	160681982	ZPHQZBFAVYJFKT-KGLIPLIRSA-N	317.458	4.168	70	20	DIID	
CCCO[C@@H]1CCCN(C(=O)[C@@H](CC)c2ccc(F)cc2)CC1	159889457	KUEODVVYEPHRLW-MSOLQXFVSA-N	321.436	4.127	70	20	DIID	
C[C@@H](CC(=O)N[C@H](C)c1ccc(F)cc1Cl)c1ccncc1	160701600	LIBGDHXAGHPTIK-NWDGAFQWSA-N	320.795	4.245	70	20	DIID	
CCOc1cc(NCc2ccc(Cl)cc2F)ccc1OC	160739732	UEXUKWAETCMSTL-UHFFFAOYSA-N	309.768	4.499	70	20	DIID	
Cc1cccc(NC(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)c1C	160932668	CXNJJRAUQZAUBU-IEBWSBKVSA-N	324.424	4.345	70	20	DIID	
C[C@H](NC(=O)Nc1cccc(-c2nccs2)c1)C1CCC1	161498581	QEBWSNRHVNXDGL-NSHDSACASA-N	301.415	4.120	70	20	DIID	
CC(C)(C)CCCC(=O)N[C@@H](C[C@@H]1CCOC1)c1ccccc1	159563489	NSLBGPFWNDBVDB-WMZOPIPTSA-N	317.473	4.487	70	20	DIID	
CC(C)OCc1cccc(NC(=O)N2CC[C@H](C)[C@H](C)C2)c1	160256677	QTBFVZVVMZMHCU-LSDHHAIUSA-N	304.434	4.121	70	20	DIID	
Cc1cccc(NC(=O)Cc2cc(F)c(F)cc2F)c1Cl	160878315	NIQQJVMRHUFFMZ-UHFFFAOYSA-N	313.706	4.247	70	20	DIID	
O=C(c1ccc(F)cc1C(F)(F)F)N1CCC[C@@H]2CCC[C@@H]21	160982446	NYZXRTYEZVEWDP-HZMBPMFUSA-N	315.310	4.249	70	20	DIID	
Cc1nc2ccc(NC(=O)NCCCSCC(C)C)cc2o1	160365781	JEZJZCBVHRYLDM-UHFFFAOYSA-N	321.446	4.037	70	20	DIID	
Cc1ccc(OC[C@H](C)NCc2cc(Cl)ccc2F)cc1	160788659	BIOSWJOAMQRBIO-ZDUSSCGKSA-N	307.796	4.345	70	20	DIID	
CC[C@H](C)C(=O)Nc1c(C)cnn1[C@H]1CCCc2ccccc21	161397287	HGIZSSCGPDNOMF-GUYCJALGSA-N	311.429	4.102	70	20	DIID	
Cc1ccc([C@@H]2CSCCN2Cc2ccnc(Cl)c2)cc1	217223371	XMILKRGOZONJLT-INIZCTEOSA-N	318.873	4.334	70	20	DIID	
CC[C@@H](NC(=O)Nc1c(C)cccc1C(C)C)[C@@H]1CCCO1	159421474	NPPDGZHBMSBEAU-CVEARBPZSA-N	304.434	4.198	70	20	DIID	
Cc1cc(C(=O)Nc2cccc(OCCF)c2)c(C)n1C1CC1	160536105	NBWFYKMBTVNLDQ-UHFFFAOYSA-N	316.376	4.040	70	20	DIID	
C[C@@H](N[C@H](CCO)c1ccccc1)c1cc2c(s1)CCCC2	161002675	SHUMFRFIGDPYNV-RHSMWYFYSA-N	315.482	4.401	70	20	DIID	
CCc1ccccc1OC(=O)c1cc2cnn(C(C)C)c2nc1C	217044827	GYCLBRFUTYDITC-UHFFFAOYSA-N	323.396	4.102	70	20	DIID	
Cc1cc2cc(NC(=O)c3c(F)cc(F)cc3F)ccc2[nH]1	160181430	OYANWHPJAJOOQV-UHFFFAOYSA-N	304.271	4.146	70	20	DIID	
Fc1cc(Cl)ccc1CNc1ccc2c(c1)OCCCO2	160638288	YZZZXPWFJKIMSB-UHFFFAOYSA-N	307.752	4.253	70	20	DIID	
CCc1ncsc1NC(=O)[C@H](C)Cc1cccc(Cl)c1	160985224	RLTHNPUPCHVLFY-SNVBAGLBSA-N	308.834	4.176	70	20	DIID	
CCc1ccc(S(=O)(=O)Nc2c(C)cccc2Cl)cc1	161050264	FFDGJUCNNNJULJ-UHFFFAOYSA-N	309.818	4.012	70	20	DIID	
Cc1nc2c(s1)[C@H](NCC1(c3ccc(F)cc3)CC1)CCC2	161370119	ATADZCQEYWTGQF-OAHLLOKOSA-N	316.445	4.289	70	20	DIID	
CCN(C(=O)[C@@H](C)N(CC)Cc1cccs1)c1ccccc1	216681367	FQFNYQRKOVEQJS-OAHLLOKOSA-N	316.470	4.012	70	20	DIID	
Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N[C@@H](C)CCC1CCCCC1	159667741	ILQVJSCANQRBKT-KBPBESRZSA-N	319.493	4.385	70	20	DIID	
COc1ccc(N(C)C(=O)c2cc(C)sc2C)cc1Cl	160128791	IZPREAATFNGEIG-UHFFFAOYSA-N	309.818	4.304	70	20	DIID	
CCc1noc(C)c1CNc1cc(NC(=O)C(C)C)ccc1C	159393018	FFGFLLJSRWSBBP-UHFFFAOYSA-N	315.417	4.060	70	20	DIID	
CCCNC(=O)c1cccc(CN[C@@H](CC)c2cccs2)c1	160592364	TXFGVKWTTBXMBV-INIZCTEOSA-N	316.470	4.129	70	20	DIID	
C[C@H](CC1CC1)NCC1(c2ccc(Cl)cc2)CCOCC1	160900026	GGCREYLFYVWJEX-CQSZACIVSA-N	307.865	4.166	70	20	DIID	
Cc1nccc(NC(=O)N[C@@H]2CCCc3sccc32)c1Cl	159562677	REQSYWDDAQZSMU-LLVKDONJSA-N	321.833	4.304	70	20	DIID	
CCCCOCCCNCc1ccc(F)c(C(F)(F)F)c1	160139499	JPQZCZGPXAYKQU-UHFFFAOYSA-N	307.331	4.141	70	20	DIID	
Cc1cc(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)ccc1Cl	160647854	ARXHNXXWNWYSEF-OAHLLOKOSA-N	321.848	4.260	70	20	DIID	
Cc1ccc(-c2n[nH]c(NC(=O)[C@H]3CCC[C@@H](C)C3)c2C)o1	161436311	BGHOODDFXFKPPP-MFKMUULPSA-N	301.390	4.051	70	20	DIID	
CCc1noc(C)c1CNc1cc(C(F)(F)F)ccc1F	159440411	GVFWPDHOEMGOOT-UHFFFAOYSA-N	302.271	4.315	70	20	DIID	
CCCCn1ncc(NC(=O)Nc2cc(C)cc(F)c2)c1C	159512626	BHQBQPQXRHEXDB-UHFFFAOYSA-N	304.369	4.083	70	20	DIID	
CCCCc1ccc(NC(=O)N(C)CCc2nccs2)cc1	159854981	AYENEDNLKZWOQA-UHFFFAOYSA-N	317.458	4.192	70	20	DIID	
C[C@@H](CC(=O)N(C)CCCCc1ccccc1)c1ccncc1	160112838	UGGHBRJNTTVOHY-KRWDZBQOSA-N	310.441	4.057	70	20	DIID	
CC(C)Oc1ccccc1NC(=O)c1cc(F)cc2cccnc12	160438219	XAJPNXXPWQYESO-UHFFFAOYSA-N	324.355	4.413	70	20	DIID	
CCC(CC)n1nccc1C(=O)N1CCC[C@@H]1c1ccccc1	161323680	XOHGKWVFWGFPOI-QGZVFWFLSA-N	311.429	4.222	70	20	DIID	
CCC(CC)CNC(=O)Nc1cccc(Oc2ccncc2)c1	217157726	QNBWDDOLGGGJAX-UHFFFAOYSA-N	313.401	4.432	70	20	DIID	
Cc1cc(CN(C)C)cc(NC(=O)[C@@H](c2ccccc2)C2CC2)c1	159404296	MKDBKFNWMYMODQ-FQEVSTJZSA-N	322.452	4.189	70	20	DIID	
Cc1ccc(NC(=O)OC(C)(C)C)cc1NCC1CCOCC1	160413627	KDPZTRXGWLQGLB-UHFFFAOYSA-N	320.433	4.181	70	20	DIID	
Cc1nc2c(s1)[C@@H](NCCSc1ccccc1)CCC2	160521615	WUEFEYXHLLJPDT-AWEZNQCLSA-N	304.484	4.211	70	20	DIID	
CCCCc1nc(-c2cccc(OCc3nccs3)c2)no1	161283121	JGCNXOMWNQDYKC-UHFFFAOYSA-N	315.398	4.115	70	20	DIID	
CO[C@H](C(=O)N(C)[C@@H](C)c1cc2ccccc2o1)c1ccccc1	161348834	AMRHCRJHZPIKFR-LIRRHRJNSA-N	323.392	4.340	70	20	DIID	
CCCn1c(C)nnc1CN[C@H](c1ccc(CC)cc1)C(C)C	161481637	MSDSYQIYSLRDTO-IBGZPJMESA-N	314.477	4.046	70	20	DIID	
COc1ccc([C@@H](C)NC(=O)Nc2c(F)cccc2Cl)cc1	217313090	WNRGWLGMBBFMJM-SNVBAGLBSA-N	322.767	4.370	70	20	DIID	
CCc1ccc([C@H](C)Nc2nc(Cl)c(C(=O)OC)s2)cc1	217873475	MRFWPUQIOLHNCT-VIFPVBQESA-N	324.833	4.319	70	20	DIID	
CCc1noc(C)c1CNc1cccc(OC2CCCC2)c1	159373172	UNVUHFNXKNCRFL-UHFFFAOYSA-N	300.402	4.479	70	20	DIID	
Cc1cccc([C@H]2CCCN2Cc2csc(C(C)(C)C)n2)n1	159751798	FSAYQELRTNEHIC-MRXNPFEDSA-N	315.486	4.481	70	20	DIID	
COc1ccc(-c2cncc(C(=O)N(C)c3ccccc3)c2)cc1	159855406	NTPFKPVZPBBILU-UHFFFAOYSA-N	318.376	4.034	70	20	DIID	
Cc1noc(C)c1CCSCCCOc1ccc(F)cc1	160096231	DEJFDEMDFPRTMT-UHFFFAOYSA-N	309.406	4.175	70	20	DIID	
C[C@@H](CC(=O)N(CC1CCCCC1)C1CC1)c1ccncc1	160168749	SAZIBAOMWQSDTO-HNNXBMFYSA-N	300.446	4.147	70	20	DIID	
CC[C@](C)(NCCC(=O)c1ccc(C)cc1)c1nc(C)cs1	160636186	CRXCBQNRXJSXJL-SFHVURJKSA-N	316.470	4.248	70	20	DIID	
CC[C@H](N[C@@H](C)c1nc(C2CC2)no1)c1ccc(F)cc1F	161021712	XZTZOQQNNVJANW-XPTSAGLGSA-N	307.344	4.027	70	20	DIID	
C[C@H](NC[C@H](Cc1ccccc1)c1ccccc1)c1cnn(C)c1	161245100	OUTPIVDLKLRHTG-PXNSSMCTSA-N	319.452	4.097	70	20	DIID	
Fc1cc(NCc2noc(C3CCCCC3)n2)cc(F)c1F	161493977	PHGYKIKOZQHZRP-UHFFFAOYSA-N	311.307	4.147	70	20	DIID	
C[C@H](NCC(=O)N1[C@@H](C)CCC[C@H]1C)c1cccc2ccccc12	216663384	LYTJZXSOYGLTFT-BBWFWOEESA-N	324.468	4.280	70	20	DIID	
C[C@@H](CC(=O)N[C@H](c1ccccc1)C1CCC1)c1ccncc1	160444884	ISPSBKRCXSKXIW-MGPUTAFESA-N	308.425	4.233	70	20	DIID	
CCC[C@@H](CCc1ccccc1)NC(=O)C[C@@H](C)c1ccncc1	160806226	KEZYOJVOKOUEGQ-XLIONFOSSA-N	324.468	4.493	70	20	DIID	
C[C@@H](CC(=O)N[C@H]1CCOC2(CCCCC2)C1)c1ccccc1	160967057	TZZGKNZYRSNGEB-WMZOPIPTSA-N	315.457	4.178	70	20	DIID	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1cccc2ncccc12	159395560	XSLZEJHBKATEDR-ZIAGYGMSSA-N	308.406	4.347	70	20	DIID	
C[C@H]1C[C@H](NCc2cn3ccccc3n2)c2ccsc2S1	159414241	FICRESRZPDJJGZ-FZMZJTMJSA-N	315.467	4.111	70	20	DIID	
CC[C@H](NCc1ccc(OC(C)C)nc1)c1ccccc1OC	160096957	FPLZEQFNGPSXSI-KRWDZBQOSA-N	314.429	4.118	70	20	DIID	
CS[C@H](C)CC(=O)N[C@@H](C)CCc1ccc(OC(C)C)cc1	160435505	DFQUKZBKITWIBC-LSDHHAIUSA-N	323.502	4.053	70	20	DIID	
O=C(c1ccccn1)N1CCCC[C@@H]1CCCc1ccccc1	161199268	FTSNPZZNOVLWDD-GOSISDBHSA-N	308.425	4.099	70	20	DIID	
Cc1ccc(CCNC(=O)N(C)[C@H](C)c2ccc(F)cc2)cc1	217225430	GMXQASSOFUNOPK-OAHLLOKOSA-N	314.404	4.079	70	20	DIID	
Cc1cc(C)c(NC(=O)NCCc2ccccc2F)c(Cl)c1	217354889	HGVNJLGLHZVBIZ-UHFFFAOYSA-N	320.795	4.460	70	20	DIID	
Cc1ccc(NC2CCC(NC(=O)OC(C)(C)C)CC2)cc1F	218090725	LMKKANUYIVFIKK-UHFFFAOYSA-N	322.424	4.382	70	20	DIID	
CC[C@@H](C)C[C@H](C)NC1CCC(NC(=O)OC(C)(C)C)CC1	218112923	OZOCNCFVNBSWRB-QVOMUQBLSA-N	312.498	4.237	70	20	DIID	
CN(CCC1CC1)C(=O)Nc1ccc(CCC(F)(F)F)cc1	159919159	JENFUAWDQNYSBW-UHFFFAOYSA-N	314.351	4.445	70	20	DIID	
C[C@H]1CSc2ccccc2N1C(=O)C[C@@H](C)c1ccncc1	161299267	BHCWOKQUPKCXCS-KGLIPLIRSA-N	312.438	4.103	70	20	DIID	
C[C@@H](CC(=O)N1c2ccccc2SC[C@@H]1C)c1ccncc1	161299446	BHCWOKQUPKCXCS-KBPBESRZSA-N	312.438	4.103	70	20	DIID	
Cc1cc(C(=O)O[C@@H](C)c2ccccc2)c2cnn(C(C)C)c2n1	217163437	NDEBMCBQLUDECF-AWEZNQCLSA-N	323.396	4.239	70	20	DIID	
CC[C@@H](CNC(=O)[C@@H]1CSc2ccccc21)c1ccccc1	217232957	AHAGBXDLEGXCGM-WMLDXEAASA-N	311.450	4.186	70	20	DIID	
Cc1ccc(CCNC(=O)Nc2cccc(C(F)(F)F)c2)cc1	217307727	BERWZEKMVHMVMA-UHFFFAOYSA-N	322.330	4.378	70	20	DIID	
CCOc1ccc(NC(=O)c2ccc(Cl)nc2C)c(C)c1	159751501	AIYGPQGNOGCSKB-UHFFFAOYSA-N	304.777	4.003	70	20	DIID	
CCc1sc(C(=O)N[C@H](CC)c2c(C)noc2C)cc1C	159940197	FQKPBNLZHPLXCY-GFCCVEGCSA-N	306.431	4.105	70	20	DIID	
CCCCS[C@@H](C)C(=O)O[C@@H](c1ccccn1)C(F)(F)F	159985143	WQLUCZLINPPILS-JQWIXIFHSA-N	321.364	4.150	70	20	DIID	
CC[C@H](NC(=O)[C@H](c1ccccc1)C(C)C)c1c(C)noc1C	160314479	MCSZSLXVUXCNIE-IRXDYDNUSA-N	314.429	4.299	70	20	DIID	
C[C@@H](CC(=O)N[C@@H]1CCC[C@@H]1c1ccccc1)c1ccncc1	160556321	SPGBIIKCYFIHAE-KFKAGJAMSA-N	308.425	4.028	70	20	DIID	
FC(F)(F)c1cccnc1N[C@H]1CCO[C@@H](c2ccccc2)C1	160590428	UOLJJHXPIVSNOF-DZGCQCFKSA-N	322.330	4.433	70	20	DIID	
CC[C@@H](NC(=O)c1cc(Cl)ccc1C)c1c(C)noc1C	160670736	WQYUZANJZSMHND-CQSZACIVSA-N	306.793	4.134	70	20	DIID	
CC1(C)C[C@H](NC(=O)Nc2cccc(Cl)c2Cl)CCO1	160804896	HIMNVNWVSRMWNQ-SECBINFHSA-N	317.216	4.073	70	20	DIID	
C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1ccc(N)cc1	161453617	DNNKPSUNMCHXAW-CHWSQXEVSA-N	316.832	4.186	70	20	DIID	
Cc1nc(COc2ccc(N[C@@H](C)c3ccccc3C)cc2)no1	159493462	PNEJTYXWKVQBNX-AWEZNQCLSA-N	323.396	4.439	70	20	DIID	
C[C@@H](Nc1ccccc1O[C@H]1CCOC1)c1ccc(F)cc1F	159948347	YHXXMAPCYINDRN-OCCSQVGLSA-N	319.351	4.306	70	20	DIID	
CC(C)Oc1ccc(NC(=O)N2CC[C@H](C)[C@H](C)C2)c(F)c1	160648351	MIYKGYGLJLIVDX-QWHCGFSZSA-N	308.397	4.123	70	20	DIID	
O[C@H](CNc1ncccc1Cl)c1cc2ccccc2s1	160983262	WYPRWSYGCRROOJ-GFCCVEGCSA-N	304.802	4.095	70	20	DIID	
Cc1csc(CCCCNC(=O)c2ccc(Cl)cc2C)n1	161361995	DEAKZGIPEVMSDZ-UHFFFAOYSA-N	322.861	4.166	70	20	DIID	
Cc1cccc([C@H](C)C(=O)Nc2[nH]nc(-c3ccc(C)o3)c2C)c1	161416233	FMDNFIDQPVIKIY-ZDUSSCGKSA-N	323.396	4.337	70	20	DIID	
Cc1cccc([C@@H](NC(=O)CCC(C)(C)C)c2ccccn2)c1	159829177	COGVLLJRFKQAIN-LJQANCHMSA-N	310.441	4.422	70	20	DIID	
C[C@@H](C(=O)N[C@@H]1CCCc2sccc21)c1c(F)cccc1F	159950300	FCZVXERVIJCDES-QMTHXVAHSA-N	321.392	4.324	70	20	DIID	
Clc1nc(N[C@H]2CCO[C@H](C3CC3)C2)cc2ccccc12	160448369	FAUZOMIMJDAZKY-ZFWWWQNUSA-N	302.805	4.258	70	20	DIID	
CCOCCC(=O)Nc1ccccc1Oc1cc(F)cc(F)c1	161488704	FJUSEROKUGZGJP-UHFFFAOYSA-N	321.323	4.122	70	20	DIID	
Cc1ccccc1[C@@H](C)Nc1cccc(N2CCCNC2=O)c1	159705648	VJUAYDXCCZJYEF-OAHLLOKOSA-N	309.413	4.088	70	20	DIID	
Cc1ccccc1NC(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1	160929481	PHPWUFKCIIRXLB-SJLPKXTDSA-N	310.397	4.037	70	20	DIID	
Cc1cc(C)cc([C@H](C)NC(=O)N(C)CCc2ccccc2)c1	216991664	GKRHGIQOPZZCPV-KRWDZBQOSA-N	310.441	4.249	70	20	DIID	
Cc1ccsc1CCCC(=O)N1CCc2sccc2C1	160235275	XHUPDRPGFXLYNV-UHFFFAOYSA-N	305.468	4.026	70	20	DIID	
CCCCN(C)C(=O)Nc1cnn(-c2cc(C)ccc2C)c1C	160857902	OZQWRMWVAGHZCP-UHFFFAOYSA-N	314.433	4.061	70	20	DIID	
CC[C@H]1CCCC[C@H]1N(C)C(=O)c1ccc(C(F)(F)F)nc1	161232384	FPMRMCFPJXSNNR-WCQYABFASA-N	314.351	4.141	70	20	DIID	
O=C(Nc1ccc(OCc2nccs2)cc1)C1CCCCC1	161337932	CQMHAMIGOLEAFK-UHFFFAOYSA-N	316.426	4.241	70	20	DIID	
C[C@H](NC[C@H](c1ccco1)N1CCCC1)c1ccccc1Cl	216632072	IHTKZQDTYLINED-WMLDXEAASA-N	318.848	4.421	70	20	DIID	
CC[C@H](CNC(=O)C1(c2cccc(F)c2)CC1)c1ccccc1	217204267	POHFDDUSAUJSDP-OAHLLOKOSA-N	311.400	4.167	70	20	DIID	
Cc1cccc(C)c1OCCCNC(=O)N(C)C1CCCCC1	217298085	DHTZWQSCAGYSDU-UHFFFAOYSA-N	318.461	4.046	70	20	DIID	
CO[C@@H]1CCCC[C@@H]1N[C@@H](C)c1ccc(C(F)(F)F)cc1	218217438	YVYRWPPTKRHYGK-TUKIKUTGSA-N	301.352	4.314	70	20	DIID	
CCOc1cc(CNCc2ccc(CC)s2)ccc1OC	218217769	INHXOIBXRHRROA-UHFFFAOYSA-N	305.443	4.008	70	20	DIID	
COc1cccc(SCc2noc(C3CCCCC3)n2)c1	159559799	YMZLFNWYVSJPSM-UHFFFAOYSA-N	304.415	4.418	70	20	DIID	
CCCCn1ncc(NC(=O)N(C)[C@@H]2CCCC[C@H]2C)c1C	159697593	PGTACNKLADRMMN-CZUORRHYSA-N	306.454	4.034	70	20	DIID	
CCOc1ccc([C@@H](C)N[C@@H](C)c2cncc(F)c2)cc1OC	159969594	MTJDHRBWOWVWMI-OLZOCXBDSA-N	318.392	4.040	70	20	DIID	
Cc1cccc2c(CCC(=O)N3CCC[C@H]3c3ccc[nH]3)c[nH]c12	160307897	VJSUGPSOJOOHCZ-SFHVURJKSA-N	321.424	4.101	70	20	DIID	
Cc1ccc(CN[C@@H]2CCSc3c(Cl)cccc32)cn1	161319206	JGBYOURZQUDCAA-OAHLLOKOSA-N	304.846	4.370	70	20	DIID	
C[C@@H]1CSc2ccccc2N(C(=O)CC[C@@H]2CC[C@H](C)O2)C1	159569379	LIUNFOVESDQVDE-KKUMJFAQSA-N	319.470	4.109	70	20	DIID	
CC(C)[C@@H](C(=O)N[C@@H]1CCOC2(CCCC2)C1)c1ccccc1	159778440	MALHVIZOEVFABX-QZTJIDSGSA-N	315.457	4.034	70	20	DIID	
Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N1CCC[C@H](C(C)(C)C)CC1	160282354	HKEUGYZROLJUIN-BBRMVZONSA-N	319.493	4.195	70	20	DIID	
Cc1c(NC(=O)N(CC(C)C)CC(C)C)cnn1CCC(C)C	161383878	AVMZVFVKXNMZLR-UHFFFAOYSA-N	322.497	4.384	70	20	DIID	
FCCCSCc1csc(COc2ccc(F)cc2)n1	161410815	PJVBPOMHGJHEDT-UHFFFAOYSA-N	315.410	4.454	70	20	DIID	
CCO[C@@H](C)c1nccn1Cc1cccc(Br)c1C	161495264	TUXDDPIMLRMMRY-LBPRGKRZSA-N	323.234	4.100	70	20	DIID	
Cc1cc(NC(=O)c2cc(C(C)C)nc3ccccc23)ccn1	217038204	QUCJYXBPHWKECB-UHFFFAOYSA-N	305.381	4.314	70	20	DIID	
CCc1cccc(NC(=O)Nc2cc(F)c(OC)c(F)c2)c1	217184304	FOLWYCTUFZOJJS-UHFFFAOYSA-N	306.312	4.180	70	20	DIID	
O=C(Nc1ccc(C(F)(F)F)cc1)N1CCc2ccccc21	217312963	KIPUOYOBVLVLBT-UHFFFAOYSA-N	306.287	4.300	70	20	DIID	
Cc1cc(NC(=O)N(Cc2ccccc2)Cc2ccccc2)no1	159726422	PTVRLQDOVSHNKM-UHFFFAOYSA-N	321.380	4.217	70	20	DIID	
Cc1cc2cc(NC(=O)c3cc(F)cc4cccnc34)ccc2[nH]1	159940282	ODGDSEQACVKOQT-UHFFFAOYSA-N	319.339	4.416	70	20	DIID	
Cc1ccc(Cl)c(NC(=O)COc2cc(C)ccc2F)c1	160783426	DDBPFOKRQZAVNW-UHFFFAOYSA-N	307.752	4.113	70	20	DIID	
CC[C@H](NCc1cccc(Cn2cccn2)c1)c1ccc(F)cc1	160805267	VJOQQYWZPBIUQV-FQEVSTJZSA-N	323.415	4.311	70	20	DIID	
Clc1ccc([C@@H](NC2CCOCC2)c2ccsc2)cc1	160891326	MDCOAVCSAZIMPO-MRXNPFEDSA-N	307.846	4.260	70	20	DIID	
CCc1cccc(OCCSCCc2c(C)noc2C)c1	160077758	KGAXMGVEOXOODK-UHFFFAOYSA-N	305.443	4.209	70	20	DIID	
c1ccc(-c2cnc(N[C@@H]3CCO[C@H](C4CC4)C3)s2)cc1	160323869	PKGOLXRWJVXJER-CABCVRRESA-N	300.427	4.180	70	20	DIID	
Fc1ccc(-c2csc(N[C@H]3CCO[C@H](C4CC4)C3)n2)cc1	160388980	HNBFUDRSQVWEFG-HOCLYGCPSA-N	318.417	4.319	70	20	DIID	
CC[C@H](Nc1cccc(NC(C)=O)c1)c1ccc(F)cc1F	160652906	GIEMSVKKBCQANL-KRWDZBQOSA-N	304.340	4.486	70	20	DIID	
CC1(C(=O)Nc2nc(CN3CCCCC3)cs2)CCCCC1	161409737	XLYHVQZWPPWNRC-UHFFFAOYSA-N	321.490	4.038	70	20	DIID	
Cc1ccc(CCNC(=O)N(C)[C@@H](C)c2ccccc2F)cc1	217225420	QOZMAJVDEXCIMA-HNNXBMFYSA-N	314.404	4.079	70	20	DIID	
CCS(=O)(=O)c1ccc([C@H](C)NC2CCC(C)(C)CC2)cc1	159652805	PQBAZQNAFRUUOL-AWEZNQCLSA-N	323.502	4.100	70	20	DIID	
CC(C)n1cc([C@H](C)NCC2(Sc3ccccc3)CC2)cn1	160505587	CDELRLWDWONMLU-HNNXBMFYSA-N	315.486	4.440	70	20	DIID	
CC[C@H](Nc1ccc(NC(C)=O)cc1)c1ccc(F)cc1F	160649706	WUSKSOGTFDYORC-KRWDZBQOSA-N	304.340	4.486	70	20	DIID	
Cc1ccc(C[C@@H]2CCCN2Cc2noc3c2CCCC3)cc1	217181831	NYHYWLHNGZWSCO-KRWDZBQOSA-N	310.441	4.069	70	20	DIID	
C[C@@H]1Cc2ccccc2N1C(=O)NCc1ccccc1Cl	217314169	BICJTFNKVQXXRO-GFCCVEGCSA-N	300.789	4.001	70	20	DIID	
COc1ccc(N(C)C(=O)c2csc3ccccc23)cc1F	159815969	WLWUMDFLGDGLCS-UHFFFAOYSA-N	315.369	4.326	70	20	DIID	
Clc1ccc2c(N[C@@H]3CCO[C@@H](C4CC4)C3)ccnc2c1	160309682	ZOPNZGGRQLQQKR-CXAGYDPISA-N	302.805	4.258	70	20	DIID	
Cc1cc(N[C@H]2CCO[C@@H](C3CC3)C2)c2cccc(F)c2n1	160422293	VBWWYLGBNBPUFW-SUMWQHHRSA-N	300.377	4.052	70	20	DIID	
Cc1nc2ccc(NC(=O)[C@H]3C[C@@H]3c3sccc3C)cc2o1	160775632	QSDWGQXLZMPHQD-STQMWFEESA-N	312.394	4.248	70	20	DIID	
FC(F)Oc1ccccc1OCc1noc(C2CCCCC2)n1	160840155	ZGEJEZBVTXQYGR-UHFFFAOYSA-N	324.327	4.298	70	20	DIID	
C[C@H](NC(=O)NC1(C)CCC1)c1nc(-c2ccccc2)cs1	160951285	CRDKEJMKRAGHCE-LBPRGKRZSA-N	315.442	4.113	70	20	DIID	
C[C@H]1CC[C@H](C)N1C(=O)CCc1ccc(Cl)cc1Cl	161452895	AEYRQYVHNINCQC-QWRGUYRKSA-N	300.229	4.325	70	20	DIID	
COCCCC(=O)Nc1ccccc1Oc1cc(F)cc(F)c1	161456143	CVNXTXKEITZQHJ-UHFFFAOYSA-N	321.323	4.122	70	20	DIID	
Cc1noc(C)c1[C@H](C)CC(=O)N(CC(C)C)CC(C)(C)C	159489715	FBUONONJTBGAAT-CYBMUJFWSA-N	308.466	4.316	70	20	DIID	
CCc1ccc(/C=C/C(=O)N(C)[C@@H](C)c2sc(C)nc2C)o1	159856649	GRAOKSXFDNYQQI-VMPCVLLUSA-N	318.442	4.148	70	20	DIID	
COc1ccc(O)c(NC(=O)c2ccc(C(C)(C)C)s2)c1	159925509	XNPNBUQYCMJGIE-UHFFFAOYSA-N	305.399	4.012	70	20	DIID	
O=C(N[C@H]1CCCc2sccc21)C1(c2cccc(F)c2)CC1	160230419	WPRJERHWXUUUJC-HNNXBMFYSA-N	315.413	4.113	70	20	DIID	
CC[C@@H](C(=O)NCC1(CCOC)CCCC1)c1ccc(F)cc1	161104644	QDRZNHNCOSVZSR-QGZVFWFLSA-N	321.436	4.032	70	20	DIID	
CC[C@@H]1CCCC[C@@H]1NCC(=O)Nc1c(C)cc(C)cc1C	161407413	WWCRPQRQAYWGOX-SJORKVTESA-N	302.462	4.109	70	20	DIID	
C[C@H](NC(=O)Nc1ccc(-c2nccs2)cc1)C1CCC1	159691804	KYNFKGWFRDCVME-NSHDSACASA-N	301.415	4.120	70	20	DIID	
Cc1nn(C)c(C)c1[C@H](OC(=O)CCC(C)(C)C)C(F)(F)F	160285461	VZANDHJXSYFZCM-ZDUSSCGKSA-N	320.355	4.010	70	20	DIID	
Cc1ccc(NC(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)cc1C	160936922	LKZDWAXAFMSZHZ-RBUKOAKNSA-N	324.424	4.345	70	20	DIID	
CN(C(=O)Nc1cccc(Br)c1)c1ccccc1	217275729	RUBHEJXUSWWCCI-UHFFFAOYSA-N	305.175	4.117	70	20	DIID	
O=C(NCCCOc1ccccc1)Nc1ccc2ccccc2c1	217299750	LBNSOYIIGCZQPN-UHFFFAOYSA-N	320.392	4.430	70	20	DIID	
CO[C@H](CNC(=O)CC1CCCCC1)c1ccccc1Cl	218311584	PKIDNBQFLRWRLA-MRXNPFEDSA-N	309.837	4.114	70	20	DIID	
CC[C@H](C)N(C)CCNCc1ccc(SC(F)(F)F)cc1	217391807	QTKRYTILOLODTD-LBPRGKRZSA-N	320.424	4.118	70	20	DIID	
CC[C@@H](NC(=O)c1csc2c1CCCC2)c1c(C)noc1C	160580311	UITOKQDJRUREKE-CQSZACIVSA-N	318.442	4.113	70	20	DIID	
COc1ccc(Cl)c(NCc2noc(C3CCCCC3)n2)c1	161329118	STQHMMICUVFQPZ-UHFFFAOYSA-N	321.808	4.391	70	20	DIID	
Cc1ccc(-c2n[nH]c(NC(=O)[C@@H](C)Cc3ccccc3)c2C)o1	161430125	BVADLWDYABRHNN-LBPRGKRZSA-N	323.396	4.104	70	20	DIID	
Cc1cc(N(C)C)ccc1NC(=O)[C@H](c1ccccc1)C1CC1	159398342	YXHLIBYDVXCAOO-LJQANCHMSA-N	308.425	4.193	70	20	DIID	
C[C@@H]1CSc2ccccc2N(C(=O)c2cc(Cl)ccn2)C1	159617157	JKJRRSHAKDDDMH-NSHDSACASA-N	318.829	4.124	70	20	DIID	
CCCOc1ccc(Cl)cc1NC(=O)C[C@@H](C)SC	160360628	NPFMHRPOEAHTNK-SNVBAGLBSA-N	301.839	4.209	70	20	DIID	
FC(F)(F)c1cnc(N[C@@H]2CCO[C@@H](C3CC3)C2)c(Cl)c1	160386047	NEWJRPNQUXMVER-ZYHUDNBSSA-N	320.742	4.123	70	20	DIID	
Cc1cc(Cl)ccc1C(=O)N[C@H]1CCOC2(CCCCC2)C1	160651685	PLGKVXIXENAFTL-HNNXBMFYSA-N	321.848	4.260	70	20	DIID	
C[C@H](CCc1ccc(O)cc1)NCc1cc(F)cc(Cl)c1	160885076	LKPJJAQBZCJXQL-GFCCVEGCSA-N	307.796	4.296	70	20	DIID	
C[C@H](N[C@H]1CCC[C@H](N(C)C)C1)c1cccc(-c2ccncc2)c1	161141135	ZEDLAGLFIOBIRS-NDXORKPFSA-N	323.484	4.272	70	20	DIID	
Cc1ccc([C@@H](C)NC(=O)N2CCC[C@H]2c2cccc(C)n2)cc1	161349819	ZLSQABBJFIUQGM-APWZRJJASA-N	323.440	4.306	70	20	DIID	
C[C@H](c1cc(F)ccc1F)N1CCO[C@@H](c2cccc(F)c2)C1	216682972	DOXWTNLFTRUJOQ-KZULUSFZSA-N	321.342	4.238	70	20	DIID	
CCOc1cccc(CN[C@H](C)c2ccc(F)cc2N(C)C)c1	159407690	AJWJGDLYOJAWGL-CQSZACIVSA-N	316.420	4.141	70	20	DIID	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCCSc1ccccc1	159776160	PEEKXJNRVFRQPX-HUUCEWRRSA-N	317.479	4.069	70	20	DIID	
COc1cc(NCc2ccc(CSC(F)F)o2)ccc1F	159947701	HMXBJWFWBYKIAN-UHFFFAOYSA-N	317.332	4.495	70	20	DIID	
COc1ccc(N(C)C(=O)[C@H](C)c2ccsc2)cc1Cl	160085007	SGHVJCONYMOLFA-SNVBAGLBSA-N	309.818	4.177	70	20	DIID	
CC[C@H](NC(=O)[C@@H]1C[C@@H]1C1CCCCC1)c1c(C)noc1C	160312898	FMCYCDLGGSGTBK-OAGGEKHMSA-N	304.434	4.075	70	20	DIID	
CC[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccc(Br)o1	161145852	MYMIHRHWZPNLIK-GHMZBOCLSA-N	314.223	4.083	70	20	DIID	
CCN(Cc1ccccn1)[C@@H](C)c1nc(-c2ccccc2C)no1	161163560	HAEOOFUVBVFZHA-HNNXBMFYSA-N	322.412	4.023	70	20	DIID	
CCC(=O)c1cccc(NC(=O)c2cc(C)n(C3CC3)c2C)c1	161327198	LSKIIXUKNZORQO-UHFFFAOYSA-N	310.397	4.285	70	20	DIID	
C[C@@H](CC(=O)Nc1ncc(-c2ccccc2)s1)c1ccncc1	159726101	MEWQKNZPZNSODX-ZDUSSCGKSA-N	323.421	4.337	70	20	DIID	
CCn1nccc1CN[C@H](CCc1ccccc1)c1ccccc1	160064339	UTKSZZRRNCIZSN-OAQYLSRUSA-N	319.452	4.367	70	20	DIID	
CC[C@H](C(=O)N(C)CCc1cccs1)c1ccc(F)cc1	160563874	FJJOMTDFYHPVNF-INIZCTEOSA-N	305.418	4.082	70	20	DIID	
CC(C)(C)c1cnc([S@](=O)CCCc2ccccc2)s1	160595716	OCEJARCXMNELJZ-FQEVSTJZSA-N	307.484	4.181	70	20	DIID	
FC(F)Oc1ccccc1NCc1noc(C2CCCCC2)n1	161087625	GTYOENSYYMTYPO-UHFFFAOYSA-N	323.343	4.331	70	20	DIID	
CC[C@@H](SC)c1nc(-c2cc(Br)cs2)no1	161278669	VYFYZSPYALLYBK-SSDOTTSWSA-N	319.249	4.375	70	20	DIID	
C[C@H](c1ccccc1)N(C)C(=O)c1cc2ccccc2cc1O	216626348	AMGNZZFUDXLPKC-CQSZACIVSA-N	305.377	4.379	70	20	DIID	
C[C@@H](c1ccc(F)c(F)c1)N1CCO[C@@H](c2cccc(F)c2)C1	216683390	DRILQBUMONRIOD-KPZWWZAWSA-N	321.342	4.238	70	20	DIID	
CC[C@H](NC(=O)c1cc2ccccc2s1)c1c(C)noc1C	159947384	KTRCMRIUEBRRSR-ZDUSSCGKSA-N	314.410	4.387	70	20	DIID	
CCC(CC)n1nccc1C(=O)N[C@@H](C)c1ccc(F)c(F)c1	160620763	PERHBHZZGPSJBC-NSHDSACASA-N	321.371	4.013	70	20	DIID	
Cc1ccsc1CCCC(=O)N(C)Cc1cccc(F)c1	159421772	OEVZOXNGGANLNF-UHFFFAOYSA-N	305.418	4.177	70	20	DIID	
CCCCn1ncc(NC(=O)N2CCC[C@H](CC)CC2)c1C	159792956	WQMFIGSTTCJMFI-HNNXBMFYSA-N	306.454	4.036	70	20	DIID	
C[C@@H](NCCCc1nc2c(s1)CCCC2)c1cccs1	160592428	ZQAFCVCCWCSYGH-GFCCVEGCSA-N	306.500	4.367	70	20	DIID	
CCC(CC)n1nccc1C(=O)N[C@@H](C)c1ccc(F)cc1F	160619933	IJOXHSXPRBFQEP-NSHDSACASA-N	321.371	4.013	70	20	DIID	
CC[C@H](CC(=O)N[C@H]1CCOC2(CCCC2)C1)c1ccccc1	159881762	QNSQBTFDZYZZMI-AEFFLSMTSA-N	315.457	4.178	70	20	DIID	
CCC[C@H](C)CC(=O)O[C@@H](c1c(C)nn(C)c1C)C(F)(F)F	159901515	QWDHQBPZPVCEFM-XPTSAGLGSA-N	320.355	4.010	70	20	DIID	
CC1(C)C[C@@H](N[C@H](c2ccccc2)c2ccc(F)cc2)CCO1	159942885	KBPKTYQLXXWXGX-RBUKOAKNSA-N	313.416	4.462	70	20	DIID	
CC(C)OCc1cccc(NC(=O)C[C@@H](C)c2ccncc2)c1	160238468	CTDWRAUSMBXZLS-OAHLLOKOSA-N	312.413	4.139	70	20	DIID	
CC(C)c1ccc([C@H](C)CC(=O)N(C)Cc2cccn2C)cc1	160729613	VWLYNLLJTDDDCW-MRXNPFEDSA-N	312.457	4.301	70	20	DIID	
CC[C@@H](N[C@@H](CCCO)c1ccccc1)c1ccc(OC)cc1	160769136	MSPKJQSBAOLLOI-UXHICEINSA-N	313.441	4.250	70	20	DIID	
CCC(CC)[C@H](NC1CCC(NC(C)=O)CC1)c1cccs1	161450936	WDDNFVPGPUVSRF-HTWSVDAQSA-N	322.518	4.262	70	20	DIID	
C[C@H]1SCCN(Cc2ccnc(Cl)c2)[C@@H]1c1ccccc1	217233790	JTCWPKLBRPHNHN-DYVFJYSZSA-N	318.873	4.414	70	20	DIID	
Cc1ccc(N[C@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)cc1	218730421	ZIZUSAOJBTUOTD-LSDHHAIUSA-N	322.408	4.419	70	20	DIID	
COc1ccc(N(C)C(=O)C[C@H](C)c2cccc(F)c2)cc1F	159722544	YWBKWCSXHMGDMF-LBPRGKRZSA-N	319.351	4.130	70	20	DIID	
COc1ccc(CN(C(=O)c2ccc(C(C)C)nc2)C2CC2)cc1	160187699	IFHJTTOGZQGLRZ-UHFFFAOYSA-N	324.424	4.018	70	20	DIID	
CC(C)CCN(CCC(C)C)C(=O)N[C@H]1CCO[C@@H](C2CC2)C1	160622217	TVSGIYLXSAIRER-ZWKOTPCHSA-N	324.509	4.048	70	20	DIID	
C[C@H]1CCC[C@](CNCc2cc(F)cc(Cl)c2)(N(C)C)C1	160911030	QZRBTZPAQAWLPL-GUYCJALGSA-N	312.860	4.079	70	20	DIID	
CCCn1nc(C)c(CN[C@@H]2CCCc3sccc32)c1C	160984941	ADHFUXIIPIIFHT-MRXNPFEDSA-N	303.475	4.139	70	20	DIID	
O=C(CCCC1CCCC1)N[C@H]1CCOC2(CCCCC2)C1	161054723	SJAIJHZNOOXNJA-KRWDZBQOSA-N	307.478	4.345	70	20	DIID	
Cc1ccc(NC2CCC(NC(=O)OC(C)(C)C)CC2)c(F)c1	218093296	PBTRJYHDJCWXIR-UHFFFAOYSA-N	322.424	4.382	70	20	DIID	
Cc1nc(-c2ccccc2NC(=O)Cc2cccs2)cs1	218571067	MVJCLPAWUZSBFX-UHFFFAOYSA-N	314.435	4.361	70	20	DIID	
Cc1cc([C@@H](C)NC(=O)C[C@@H](C)c2ccncc2)c(C)s1	159682316	HJFICUWPUPBFAE-DGCLKSJQSA-N	302.443	4.131	70	20	DIID	
Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2cccc3[nH]cnc23)o1	159750398	IRVVFAAVKNBEFN-MLGOLLRUSA-N	323.396	4.078	70	20	DIID	
CCCCn1ncc(NC(=O)N(CC(C)C)CC(C)C)c1C	160132576	KKHCOAWFGFSQNU-UHFFFAOYSA-N	308.470	4.138	70	20	DIID	
Cc1cc(OCc2ccccc2)ccc1NC(=O)NC1CC=CC1	160797053	PEOFOWBSIZKLFW-UHFFFAOYSA-N	322.408	4.414	70	20	DIID	
CN(C)c1ccc(CN[C@@H](c2ccc(F)cc2)C(C)(C)C)cn1	161300142	CNWSEGRLLOABBI-SFHVURJKSA-N	315.436	4.164	70	20	DIID	
Cc1cc(NC(=O)N(C)c2c(C)noc2C)ccc1OC(C)C	161303783	MWDJMEIXTUUNEU-UHFFFAOYSA-N	317.389	4.055	70	20	DIID	
CCOc1ccccc1NC(=O)NCCc1ccc(Cl)cc1	217308605	KCKCNMRZVDOMFP-UHFFFAOYSA-N	318.804	4.103	70	20	DIID	
CC(C)(C)c1ncsc1C(=O)Nc1cccc(OCCF)c1	160550582	IMYYJGBSSAAIMQ-UHFFFAOYSA-N	322.405	4.041	70	20	DIID	
Cc1cccc([C@H]2CCCN2C(=O)C2CCC(C)(C)CC2)n1	161308976	OWZZHSJMKWAKHY-QGZVFWFLSA-N	300.446	4.270	70	20	DIID	
C[C@H]1CN(C(=O)Nc2c(F)cc(F)cc2F)[C@@H]1c1ccccc1	161319288	NCWNTRKAJPTRMB-QFYYESIMSA-N	320.314	4.329	70	20	DIID	
Cc1ccc(NC(=O)N2C[C@@H](C)C[C@@H]2c2cccc(F)c2)cn1	161321687	SBZDSOYFPLNSMB-YVEFUNNKSA-N	313.376	4.144	70	20	DIID	
CCSCc1cccc(NC(=O)NC2C[C@@H](C)O[C@H](C)C2)c1	161504883	NWFNQNKVRAAHHO-CHWSQXEVSA-N	322.474	4.017	70	20	DIID	
CCCCn1ncc(NC(=O)N2CCC[C@H]2CCC(C)C)c1C	159916180	XGXSSVSGLVOATE-INIZCTEOSA-N	320.481	4.424	70	20	DIID	
CC(C)Oc1ccc(CN[C@@H]2CCSc3ccccc32)cn1	160049302	HDCHVTGJYLPZAE-MRXNPFEDSA-N	314.454	4.196	70	20	DIID	
O=C(N[C@H]1CCCc2sccc21)C1(c2ccccc2F)CC1	160294469	LCBQCZRLJUQJIC-HNNXBMFYSA-N	315.413	4.113	70	20	DIID	
CCS[C@H](C)c1noc(CSCc2cccc(F)c2)n1	161042440	DQPMCNAWKVQAQC-SNVBAGLBSA-N	312.435	4.456	70	20	DIID	
Cc1ccc(NC(=O)N2C[C@H](C)C[C@H]2c2cccc(F)c2)cn1	161321812	SBZDSOYFPLNSMB-PXAZEXFGSA-N	313.376	4.144	70	20	DIID	
c1sc([C@@H]2CCCO2)nc1-c1nc(C2CCCCC2)no1	161450550	JHMXMVLLICKCNS-LBPRGKRZSA-N	305.403	4.092	70	20	DIID	
Cc1ccccc1N(CC(=O)N[C@@H](C)c1cccs1)C(C)C	216925111	CSLVCUOSTQIOMJ-HNNXBMFYSA-N	316.470	4.149	70	20	DIID	
CC[C@H](C(=O)N(C)Cc1ccc(C)s1)c1ccc(F)cc1	159731664	FUQLYEZXIPBWCP-INIZCTEOSA-N	305.418	4.348	70	20	DIID	
CCCCn1ncc(NC(=O)N[C@@H](C)c2ccc(C)cc2)c1C	159979078	JDYUDMILTUWOHG-AWEZNQCLSA-N	314.433	4.183	70	20	DIID	
Cc1cccc2c(CC(=O)N[C@@H]3CCCc4sccc43)c[nH]c12	160088764	YIZQLXMEHXEFCJ-MRXNPFEDSA-N	324.449	4.274	70	20	DIID	
CCCOc1cccc(CC(=O)N(CC)Cc2cccs2)c1	161116362	KQQYKTPBUAYWOT-UHFFFAOYSA-N	317.454	4.128	70	20	DIID	
Cc1ccc(CNCc2ccc(Oc3cccc(F)c3)nc2)o1	159896652	QKHBTQIDXLJDJK-UHFFFAOYSA-N	312.344	4.204	70	20	DIID	
CC[C@H](c1ccncc1)N(C)C(=O)NCC(CC)(CC)CC	159957799	WQWCDDPMMCJKMG-MRXNPFEDSA-N	305.466	4.391	70	20	DIID	
CCCCS[C@H](C)C(=O)O[C@H](c1ccccn1)C(F)(F)F	159985540	WQLUCZLINPPILS-ZYHUDNBSSA-N	321.364	4.150	70	20	DIID	
C[C@@H]1CCN(C(=O)Nc2cccc(COCC3CC3)c2)C[C@@H]1C	160301876	FLWZYTLGPODSNX-CABCVRRESA-N	316.445	4.123	70	20	DIID	
Cc1ccc(C)c([C@H]2CCCN2C(=O)CC2(O)CCCCC2)c1	160613966	KYKGQUVCIMPQKE-GOSISDBHSA-N	315.457	4.052	70	20	DIID	
Cc1nc2ccc(NC(=O)[C@H]3C[C@H]3c3sccc3C)cc2o1	160775511	QSDWGQXLZMPHQD-OLZOCXBDSA-N	312.394	4.248	70	20	DIID	
COc1ccc(COCCCN[C@@H](C)c2cccs2)cc1	161070537	YGHZJGKXCIKOKA-AWEZNQCLSA-N	305.443	4.014	70	20	DIID	
CC[C@H](C(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1)c1ccc(F)cc1	159474653	LOYVDFHIUNETSR-RCCFBDPRSA-N	315.363	4.131	70	20	DIID	
Cc1csc(CCCCNC(=O)C2CCC(C)(C)CC2)n1	159863833	AKXAJNPGOUOYGZ-UHFFFAOYSA-N	308.491	4.107	70	20	DIID	
CCc1ccc(CCC(=O)N[C@@H](CC)c2c(C)noc2C)cc1	160054635	LUPVBARRIAXIFZ-KRWDZBQOSA-N	314.429	4.054	70	20	DIID	
C[C@@H](c1ccco1)N(C(=O)CCc1ccc(F)cc1F)C1CC1	160668942	HOZMVKDHEMYEAH-LBPRGKRZSA-N	319.351	4.243	70	20	DIID	
COc1cc(C)c(CN[C@@H]2CCCc3sccc32)cc1OC	160967468	LMEKPLKOJJZYIA-OAHLLOKOSA-N	317.454	4.241	70	20	DIID	
Cc1ccc(S(=O)(=O)Nc2c(C)cccc2Cl)c(C)c1	161046935	RMUGYMJJHFFNJR-UHFFFAOYSA-N	309.818	4.066	70	20	DIID	
CC(C)(NC(=O)c1ccc(Cl)nc1)c1ccc(Cl)cc1	216673396	GLUJMQYUOZDOJB-UHFFFAOYSA-N	309.196	4.054	70	20	DIID	
Cc1nc(C(C)C)sc1[C@H](C)NCc1cn2ccccc2n1	159407984	NNGNMFIEVLHZCG-LBPRGKRZSA-N	314.458	4.073	70	20	DIID	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)N(C)Cc1ccccc1Cl	159439477	BCDOBAXKNZJZBM-ZIAGYGMSSA-N	319.857	4.472	70	20	DIID	
COc1ccc(N(C)C(=O)C[C@@H](C)c2ccccc2F)cc1F	159452203	INRYXZLJPXIIDM-GFCCVEGCSA-N	319.351	4.130	70	20	DIID	
CC(C)(C)CN(CC(C)(C)C)C(=O)N[C@H]1CCO[C@H](C2CC2)C1	160333594	BHQGHIHVMXIZIF-HOTGVXAUSA-N	324.509	4.048	70	20	DIID	
C[C@H]1CSc2ccccc2N(C(=O)c2cccc(Cl)n2)C1	159593424	WLHVHOCJRRUXSH-LLVKDONJSA-N	318.829	4.124	70	20	DIID	
C[C@H](Sc1n[nH]c(-c2ccccn2)n1)c1ccccc1Cl	217227686	ZYDTXIUAGHARMS-JTQLQIEISA-N	316.817	4.373	70	20	DIID	
COc1ccccc1SCc1noc(C2CCCCC2)n1	159666316	MZNMFVOBNUUFDI-UHFFFAOYSA-N	304.415	4.418	70	20	DIID	
C[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](C)c1cccc(O)c1	160258894	MZYRTYQTROBPJJ-QWHCGFSZSA-N	317.816	4.102	70	20	DIID	
c1coc(CN(Cc2cccs2)Cc2cccc3cn[nH]c23)c1	160656377	VCRYBRUUSHMDMB-UHFFFAOYSA-N	323.421	4.420	70	20	DIID	
C[C@H](CC(=O)N1CCc2c(F)cccc2C1)c1ccc(F)cc1	160832707	QLWIQTWEEDFINT-CYBMUJFWSA-N	315.363	4.043	70	20	DIID	
C[C@H]1C[C@H](NC[C@@H](CO)c2ccccc2)c2ccsc2S1	161468333	HZYSQMGDAVTTJX-NOLJZWGESA-N	319.495	4.039	70	20	DIID	
Cc1ccc(C)c(C(=O)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)c1	159484438	RPDHSPJMDUYMEN-PXNSSMCTSA-N	323.436	4.201	70	20	DIID	
Cn1c(SCCCSCc2ccccc2)nnc1C1CC1	159566626	HYNKGOXAIZUYGS-UHFFFAOYSA-N	319.499	4.108	70	20	DIID	
CCCCn1ncc(NC(=O)N2CCC[C@](C)(CCC)C2)c1C	159780899	LGIUWIFXYVFMJY-SFHVURJKSA-N	320.481	4.426	70	20	DIID	
C[C@@H]1CCC[C@H](OCCCCCC(=O)N(C)c2ccccn2)C1	159970092	NJSXDEUNWZOYIW-SJORKVTESA-N	318.461	4.200	70	20	DIID	
Cc1cc(C)c(NC(=O)COc2ccc3[nH]ccc3c2)c(C)c1	160067450	OBPZFVDFFGENNR-UHFFFAOYSA-N	308.381	4.111	70	20	DIID	
Cc1ccc(C)c([C@H]2CCCN2C(=O)c2ccnn2C(C)C)c1	160568437	RCWOEJSTMICSFB-QGZVFWFLSA-N	311.429	4.058	70	20	DIID	
CC[C@@H](C(=O)N1CCC(C(F)(F)F)CC1)c1ccc(F)cc1	160577151	SHUKFPPCLPXICO-CQSZACIVSA-N	317.326	4.120	70	20	DIID	
C[C@@H](CCC1CCCCC1)NC(=O)C[C@H](C)c1ccncc1	160619192	OJOQSEICOIPCLK-HOTGVXAUSA-N	302.462	4.440	70	20	DIID	
CC[C@@H](Nc1ccc(N2CCOC2=O)cc1)c1ccc(F)cc1	160809031	KPRFSFKVGYLSLS-QGZVFWFLSA-N	314.360	4.346	70	20	DIID	
CCN(C(=O)[C@H](C)N[C@@H](c1ccccc1)C1CC1)c1ccccc1	218047040	MIICVXMTBPRMKV-JXFKEZNVSA-N	322.452	4.169	70	20	DIID	
Cc1ccccc1[C@@H](C)NC1CCN([C@H](C)c2ccncc2)CC1	159886980	OSEIKTXQZPFOKH-QZTJIDSGSA-N	323.484	4.266	70	20	DIID	
CCn1nccc1CN[C@@H](CCc1ccccc1)c1ccccc1	160064244	UTKSZZRRNCIZSN-NRFANRHFSA-N	319.452	4.367	70	20	DIID	
CC1(C)C[C@@H](NC(=O)Nc2ccccc2-c2ccccc2)CCO1	160898204	SOJJEGCYCQFPHA-INIZCTEOSA-N	324.424	4.433	70	20	DIID	
Fc1cccc([C@@H]2CN(Cc3c(F)cccc3Cl)CCO2)c1	216706239	NJHNYCCODAJOJE-KRWDZBQOSA-N	323.770	4.192	70	20	DIID	
C[C@H]1CN(C(=O)Nc2cc(F)c(F)cc2F)[C@H]1c1ccccc1	159741731	GLJBSALVOQUZNJ-MGPLVRAMSA-N	320.314	4.329	70	20	DIID	
CCCCn1ncc(NC(=O)N(C)C2CCC(C)(C)CC2)c1C	159764928	NGKBKWKUHVCGER-UHFFFAOYSA-N	320.481	4.424	70	20	DIID	
COc1ccc(N(C)C(=O)[C@@H](C)c2cccc(F)c2)cc1Cl	160145228	KMJFLUCZAMAJHJ-NSHDSACASA-N	321.779	4.254	70	20	DIID	
O=C(CC1CCCCC1)O[C@H](c1ccccn1)C(F)(F)F	160204325	ABTMQMWNSQBKOV-CQSZACIVSA-N	301.308	4.199	70	20	DIID	
C[C@@H]1C[C@H]1C(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1	160480050	QSQBEMAOTMYYRD-IUODEOHRSA-N	306.365	4.013	70	20	DIID	
CC(=O)NC1CCC(Nc2ccccc2SC(C)C)CC1	161186448	HWMYYVCYLPEWGD-UHFFFAOYSA-N	306.475	4.046	70	20	DIID	
CCOCCC1(CNC(=O)[C@@H](CC)c2ccc(F)cc2)CCC1	161192788	UWSKTYCXHNPBGA-KRWDZBQOSA-N	321.436	4.032	70	20	DIID	
COc1ccccc1CN(Cc1csc(C2CC2)n1)C1CC1	161437503	TZWCPJIINFMAQJ-UHFFFAOYSA-N	314.454	4.194	70	20	DIID	
CN(C(=O)Nc1ccc2c(c1)Cc1ccccc1-2)[C@@H]1CCSC1	159579259	YZGDHKJGNFYJOI-MRXNPFEDSA-N	324.449	4.227	70	20	DIID	
Cc1ccc(C(F)(F)F)cc1NC(=O)N(C)CCC1CC1	159584965	POQPDELMVFXREF-UHFFFAOYSA-N	300.324	4.278	70	20	DIID	
Cc1ccc(-c2cncc(C(=O)Nc3ccc(C)cn3)c2)cc1	159881663	FQHCZZMGQCBNEW-UHFFFAOYSA-N	303.365	4.013	70	20	DIID	
C[C@H]1C[C@@H](NCC2(Sc3ccccc3)CCCC2)CCN1C	160349109	WJHPOANLGPQFDH-IRXDYDNUSA-N	318.530	4.164	70	20	DIID	
Cc1nc(COC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)c(C)s1	160445337	DWMAZGAWBOWLCQ-GHMZBOCLSA-N	321.364	4.172	70	20	DIID	
CSc1ccsc1C(=O)N1CC(C)(C)Oc2ccccc21	160794771	LCWCFUDYZYHOCK-UHFFFAOYSA-N	319.451	4.288	70	20	DIID	
CC[C@H](C(=O)NCC1(CCOC)CCCC1)c1ccc(F)cc1	161104505	QDRZNHNCOSVZSR-KRWDZBQOSA-N	321.436	4.032	70	20	DIID	
CS[C@@H](C)CC(=O)N(Cc1ccco1)Cc1ccc(C)s1	161266843	NLJANNWSYJAARG-ZDUSSCGKSA-N	323.483	4.320	70	20	DIID	
CC(C)[C@@H]1CN(C(=O)CC2CCSCC2)c2ccccc2N1	161324560	ZSRHTAKDPMQDNP-INIZCTEOSA-N	318.486	4.003	70	20	DIID	
Cc1cc(C)c(C(=O)NCc2ccccc2OC(F)F)c(C)c1	217917093	FAQYBQKDGRBFSK-UHFFFAOYSA-N	319.351	4.143	70	20	DIID	
CCCNC(=O)c1cccc(CN[C@@H](C)c2sccc2C)c1	160595056	RLVPCSOXOIWZSU-AWEZNQCLSA-N	316.470	4.047	70	20	DIID	
CN(C)c1ccc(CN[C@H](c2ccccc2)C2CCCC2)cn1	161243948	WIRRHMFERBFMJP-HXUWFJFHSA-N	309.457	4.169	70	20	DIID	
O=C(CC1CC1)Nc1ccccc1Oc1cc(F)cc(F)c1	161445211	VQKBWZYSOZEAIV-UHFFFAOYSA-N	303.308	4.496	70	20	DIID	
CC[C@H](C)N1CCC(Oc2cccc(Br)c2)CC1	217270738	VKXIFEBDMMRAPV-LBPRGKRZSA-N	312.251	4.091	70	20	DIID	
CCc1nnc(-c2ccc(NC(=O)C(C)(CC)CC)cc2)o1	159381360	NRDWOPJCGFNKEN-UHFFFAOYSA-N	301.390	4.064	70	20	DIID	
Cc1c(F)cccc1NC(=O)Nc1ccn(CCC(C)C)n1	161179604	POQGNSOOWVUIRK-UHFFFAOYSA-N	304.369	4.021	70	20	DIID	
C[C@@H](c1ccccc1F)N1CCO[C@@H](c2cccc(F)c2)C1	216686566	HWQXURXQPJDIGG-SCLBCKFNSA-N	303.352	4.099	70	20	DIID	
Cc1ccc(N2CCOC2=O)cc1N[C@H](C)c1ccccc1C	159733310	XLMDBACZWRMXDI-OAHLLOKOSA-N	310.397	4.433	70	20	DIID	
Cc1ccc(NC(=O)N[C@H](C[C@@H]2CCOC2)c2ccccc2)cc1	159771020	DUXCTLWXGKHCKK-QFBILLFUSA-N	324.424	4.284	70	20	DIID	
CC(C)CCN(CCC(C)C)C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1	160622101	TVSGIYLXSAIRER-QZTJIDSGSA-N	324.509	4.048	70	20	DIID	
Fc1cc(Cl)ccc1CNc1cccc(-n2cccn2)c1	160752253	GZNSACSVFCRUDS-UHFFFAOYSA-N	301.752	4.277	70	20	DIID	
CCCCCc1ccc(NC2CCC(NC(C)=O)CC2)cc1	161082446	PCIKBNRYQCGPME-UHFFFAOYSA-N	302.462	4.279	70	20	DIID	
CC(C)[C@H](C(=O)N[C@@H]1CCOC2(CCCC2)C1)c1ccccc1	159778290	MALHVIZOEVFABX-MSOLQXFVSA-N	315.457	4.034	70	20	DIID	
CCc1nc(CN[C@@H](CC(C)(C)C)c2ccc(Cl)cc2)n[nH]1	160458102	XUSLFDGOXJBWPE-AWEZNQCLSA-N	320.868	4.288	70	20	DIID	
Cc1cc(N(C)C)ccc1NC(=O)c1cc(F)cc2cccnc12	160552324	ABGIKNVOESHODF-UHFFFAOYSA-N	323.371	4.001	70	20	DIID	
C[C@H](CC(=O)N[C@H](C)c1ccc(F)cc1Cl)c1ccncc1	160701700	LIBGDHXAGHPTIK-VXGBXAGGSA-N	320.795	4.245	70	20	DIID	
CCCCc1ccc(NC(=O)N[C@H]2CCOC(C)(C)C2)cc1	160760709	SSZPPICRFOQDNO-INIZCTEOSA-N	304.434	4.108	70	20	DIID	
CCN(C(=O)C[C@@H](C)SC)[C@H](C)c1cc2ccccc2o1	160950053	QSOYXOANSJZGAN-CHWSQXEVSA-N	305.443	4.484	70	20	DIID	
Cc1ccc(-c2n[nH]c(NC(=O)c3ccc(C)c(C)c3)c2C)o1	161437569	LAFPPDMYTPTVQT-UHFFFAOYSA-N	309.369	4.156	70	20	DIID	
Cc1ccc(Cl)c(NC(=O)C[C@@H](C)c2c(C)noc2C)c1	159478912	BCFJSMBMQBPBFD-SNVBAGLBSA-N	306.793	4.386	70	20	DIID	
C1CCC(c2nc(CSc3nnc(C4CC4)s3)no2)CC1	159594887	BJNIPVOKBRHRKG-UHFFFAOYSA-N	322.459	4.139	70	20	DIID	
COc1ccc(F)cc1[C@@H](C)NCc1cc(F)cc(Cl)c1	160870887	GDOFKKLGYUFRTD-SNVBAGLBSA-N	311.759	4.478	70	20	DIID	
CCc1ccc([C@@H](C)NCc2ccc(CN(C)C)cc2)s1	160896805	WKVQBIVHMQLMPW-CQSZACIVSA-N	302.487	4.223	70	20	DIID	
C[C@@H](NC(=O)NCCc1ccccc1)c1ccc2c(c1)CCCC2	217304772	SSZGAEKNRLRKOS-MRXNPFEDSA-N	322.452	4.168	70	20	DIID	
CC(C)c1ccc([C@H](C)CC(=O)N(C)C[C@H]2CCCOC2)cc1	159449040	ATZHAZXJZMZKGG-IAGOWNOFSA-N	317.473	4.189	70	20	DIID	
C[C@H]1CSc2ccccc2N(C(=O)c2ccccc2F)C1	159557609	GQXLGPHDNWVSAC-GFCCVEGCSA-N	301.386	4.214	70	20	DIID	
CC[C@]1(C)C[C@@H]1C(=O)N[C@@H](c1cccc(C)c1)c1ccccn1	159995369	LSEAVXXLCKVPCT-IMFGXOCKSA-N	308.425	4.032	70	20	DIID	
CCC[C@@H](C)CC(=O)N[C@H](c1cccc(C)c1)c1ccccn1	160105316	QCYSWBJPNYKWFZ-FOIQADDNSA-N	310.441	4.422	70	20	DIID	
CCN1C(=O)c2ccccc2N[C@H]1c1cc2cc(OC)ccc2o1	160240532	BUOYZBODRNUROI-GOSISDBHSA-N	322.364	4.028	70	20	DIID	
CCOc1ccccc1C[S@@](=O)c1ncc(C(C)(C)C)s1	160494516	LNPPCWIYECDSLR-NRFANRHFSA-N	323.483	4.147	70	20	DIID	
CCCn1nc(C)c(C(=O)Nc2ccc(C)cc2Cl)c1C	161199141	ZZRLZIYDQLMCPH-UHFFFAOYSA-N	305.809	4.124	70	20	DIID	
CC[C@H](CC(=O)N[C@@H]1CCOC2(CCCC2)C1)c1ccccc1	159881505	QNSQBTFDZYZZMI-SJLPKXTDSA-N	315.457	4.178	70	20	DIID	
C[C@@H]1C[C@H]1c1ccc(CNc2cccc(C(=O)N3CCCC3)c2)o1	160074928	ZGFNSGCPXDPNHD-RDTXWAMCSA-N	324.424	4.251	70	20	DIID	
CC(C)c1ccc([C@@H]2CCCCN2C(=O)[C@H]2CCCOC2)cc1	160390075	KASBMJWHIGTRLH-OALUTQOASA-N	315.457	4.290	70	20	DIID	
CCS[C@@H]1CCC[C@H](N[C@@H](C)c2cccc(NC(C)=O)c2)C1	159364257	BSLMTAWJZGCTRV-DOPJRALCSA-N	320.502	4.360	70	20	DIID	
Cc1ccsc1C(=O)N1C[C@@H](C)CSc2ccccc21	159527702	KSHUJSGOUSMCGO-LLVKDONJSA-N	303.452	4.445	70	20	DIID	
C[C@@H]1CSc2ccccc2N(C(=O)CC[C@@H]2CCCCO2)C1	159677171	VWZUWOJIVDPMKR-GJZGRUSLSA-N	319.470	4.111	70	20	DIID	
C[C@@H](NCCc1csc(-c2ccccc2)n1)c1ccncc1	160384504	WHTDQEJJUKJXEE-CQSZACIVSA-N	309.438	4.098	70	20	DIID	
CCC(CC)n1nccc1C(=O)Nc1ccc(OC)c(Cl)c1	161055015	LORWDKOPCCDPFD-UHFFFAOYSA-N	321.808	4.159	70	20	DIID	
CCCn1nc(C)c(C(=O)Nc2ccc3ccccc3c2)c1C	161153826	AIJUOEJSMWRAKV-UHFFFAOYSA-N	307.397	4.315	70	20	DIID	
CN(Cc1cccs1)c1ncc(Cl)cc1Br	159732221	HVKDHKNJGQSHAU-UHFFFAOYSA-N	317.639	4.195	70	20	DIID	
Cc1ccc(-c2cncc(C(=O)N(C)c3ccccc3)c2)cc1	159855137	BKMAIKJBLMWBBL-UHFFFAOYSA-N	302.377	4.334	70	20	DIID	
C[C@@H](Nc1ccccc1O[C@H]1CCOC1)c1ccccc1F	159962125	RDRFTXRIEADADI-KGLIPLIRSA-N	301.361	4.167	70	20	DIID	
CC[C@H]1C[C@H](N[C@H](C)c2ccc(Br)cc2)CCO1	160023906	ZBPQOJWUYJJBHV-DFBGVHRSSA-N	312.251	4.057	70	20	DIID	
CC[C@@H](NC(=O)CC[C@H](C)c1ccccc1)c1c(C)noc1C	160100663	OVRANLVFDFAIPK-SUMWQHHRSA-N	314.429	4.443	70	20	DIID	
C[C@H](c1ccccc1F)N(C)C(=O)c1nc2ccccc2s1	161463297	MWEUTKPIYSDFBS-LLVKDONJSA-N	314.385	4.269	70	20	DIID	
CCc1cccc(NC(=O)CN[C@@H](C)c2cc3ccccc3o2)c1	216687949	UNVJJJQMLREULU-AWEZNQCLSA-N	322.408	4.285	70	20	DIID	
O=C(Nc1nc2c(s1)CCCCC2)c1cc2c(s1)CCC2	217918598	XAXQGHSEJAKHNS-UHFFFAOYSA-N	318.467	4.215	70	20	DIID	
C[C@H](Nc1ccccc1O[C@@H]1CCOC1)c1ccc(F)cc1	159899267	LOYKCVAHQFVMEF-XJKSGUPXSA-N	301.361	4.167	70	20	DIID	
COc1ccc(N(C)C(=O)CCc2ccc(F)cc2)cc1Cl	160039869	URWVCUJEQKMPQD-UHFFFAOYSA-N	321.779	4.083	70	20	DIID	
O=C(NCC1(C2CC2)CC1)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F	160058821	AHNBXTHRLLQXKJ-ZIAGYGMSSA-N	323.358	4.115	70	20	DIID	
CCCC1(CNC(=O)c2ccccc2Oc2cccnc2)CC1	160718171	IPJJHOBXWOUTSP-UHFFFAOYSA-N	310.397	4.184	70	20	DIID	
C[C@H]1CCCC[C@@H]1N(C)C(=O)c1cncc(-c2ccccc2)c1	161005975	HSGQMYJCGKBQME-KXBFYZLASA-N	308.425	4.399	70	20	DIID	
CCS[C@@H]1CCC[C@@H](NC2CCN(C3CCCCC3)CC2)C1	159371337	GCNVTMSVSHVOIV-IEBWSBKVSA-N	324.578	4.437	70	20	DIID	
O=C1[C@H](Sc2ccncc2)CCCN1c1ccccc1Cl	159913512	AIIWWVJOUXBSBA-OAHLLOKOSA-N	318.829	4.023	70	20	DIID	
Cc1csc(CCCCN[C@H]2CCCc3nc(C)sc32)n1	160693388	AAZWWBDYFLTTJN-ZDUSSCGKSA-N	321.515	4.206	70	20	DIID	
C[C@H](CC(=O)c1cccs1)NC(=O)c1ccc2ccccc2c1	160774630	SFDRDSCUBSQEGX-CYBMUJFWSA-N	323.417	4.293	70	20	DIID	
Cc1ccc(C)c(C(=O)Nc2[nH]nc(-c3ccc(C)o3)c2C)c1	161500617	ICUKIOKQBVSENB-UHFFFAOYSA-N	309.369	4.156	70	20	DIID	
C[C@H](Sc1ccncc1)C(=O)N[C@@H](C)c1ccc(Cl)cc1	159980736	LQXZGRAXGLZPJD-RYUDHWBXSA-N	320.845	4.093	70	20	DIID	
CC[C@@H](C)CN(CC)[C@@H](C)c1nc(Cc2ccccc2)no1	160524893	GULHDGIQKMZXJY-CABCVRRESA-N	301.434	4.089	70	20	DIID	
Cc1cccc2ncnc(N[C@@H]3CCO[C@H](c4ccccc4)C3)c12	160570204	IIJCGSGQWQDYQG-AEFFLSMTSA-N	319.408	4.270	70	20	DIID	
C[C@H]1CCC[C@@](CNCc2cc(Cl)ccc2F)(N(C)C)C1	160790438	GNZGYYKYOFLFTE-SUMWQHHRSA-N	312.860	4.079	70	20	DIID	
C[C@@H](NCC1(c2ccc(Cl)cc2)CCOCC1)c1ccco1	160901142	ZFUYOZWNJAHFRS-CQSZACIVSA-N	319.832	4.332	70	20	DIID	
Cc1cc(C)c(Br)c(C(=O)Nc2ccnc(C)c2)c1	161458077	GNCMAXQPGIRELX-UHFFFAOYSA-N	319.202	4.022	70	20	DIID	
Cc1nc(Cc2ccccc2)sc1C(=O)N1[C@H](C)CC[C@H]1C	161475712	LNIXEPDIPUZCDF-CHWSQXEVSA-N	314.454	4.055	70	20	DIID	
Cn1cccc1[C@H]1CCCN1Cc1cccc(Br)c1	216722512	QCHLVVJRVSYTEN-MRXNPFEDSA-N	319.246	4.125	70	20	DIID	
Cc1ccc(CCNC(=O)N2CCC[C@H]2c2ccccc2)cc1	217225242	CUDLDDWIDHOLMS-IBGZPJMESA-N	308.425	4.084	70	20	DIID	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)N(C)Cc1cccc(Cl)c1	159465808	DFKMGUHQAZHXGV-HUUCEWRRSA-N	319.857	4.472	70	20	DIID	
O=C(CSc1ccccc1)N[C@H]1CCCc2sccc21	160204600	CDOZEMFNIQFQDS-AWEZNQCLSA-N	303.452	4.034	70	20	DIID	
Cc1c([C@H](C)N[C@@H](C)c2ccco2)cnn1-c1ccc(F)cc1	160222903	OAAKFAKSFUYFBF-STQMWFEESA-N	313.376	4.325	70	20	DIID	
CC[C@H](NC(=O)c1cccc(C)c1Cl)c1c(C)noc1C	160378481	YCXGFWWCVNMBRH-ZDUSSCGKSA-N	306.793	4.134	70	20	DIID	
CC[C@H](Nc1ccc(N2CCOC2=O)cc1)c1ccc(F)cc1	160808897	KPRFSFKVGYLSLS-KRWDZBQOSA-N	314.360	4.346	70	20	DIID	
CCC(=O)c1cccc(NC(=O)c2c(C)[nH]c3ccccc23)c1	161322716	XCRPPNSMTOPZLD-UHFFFAOYSA-N	306.365	4.321	70	20	DIID	
CC(C)C[C@@H](O)CNC(=O)Nc1ccc(C(C)C)cc1C(C)C	217235341	RGBBFFRZTNPDIU-MRXNPFEDSA-N	320.477	4.462	70	20	DIID	
CC[C@@H](NCC(=O)N(C)c1ccccc1)c1ccc(Cl)cc1	218206943	RABHIGKCNWGXCP-QGZVFWFLSA-N	316.832	4.044	70	20	DIID	
Cc1ncc([C@@H](C)N[C@H]2CCSc3ccc(F)cc32)c(C)n1	159432220	LRRZQBRLMYWCSL-BZNIZROVSA-N	317.433	4.120	70	20	DIID	
CC[C@@]1(C)C[C@@H]1C(=O)N(Cc1ccco1)Cc1cccs1	159486265	VXXZDHLQDBSWQM-WBVHZDCISA-N	303.427	4.306	70	20	DIID	
Cc1ccccc1NC(=O)N[C@@H](C[C@H]1CCOC1)c1ccccc1	159722598	YTJMJNUIUAGBGZ-APWZRJJASA-N	324.424	4.284	70	20	DIID	
Cc1cc(C)cc(CCC(=O)NCc2nc(C(C)C)cs2)c1	159455618	SLVAHNHSMRVNLU-UHFFFAOYSA-N	316.470	4.132	70	20	DIID	
CC[C@H](C(=O)Nc1ccc(OC)cc1C)c1ccc(F)cc1	159670017	ZPMUHZMUYULBPC-INIZCTEOSA-N	301.361	4.275	70	20	DIID	
CC(C)Cc1ccc(C(=O)N[C@@H]2CCOC3(CCCC3)C2)cc1	159940075	OXPXGEFXXVNAAZ-GOSISDBHSA-N	315.457	4.107	70	20	DIID	
C[C@H](CC(=O)Nc1ccccc1)N[C@H]1CCCc2sccc21	160991443	YULXLXZYESOYRM-CJNGLKHVSA-N	314.454	4.132	70	20	DIID	
CC[C@H]1CCCN(C(C)(C)CN[C@@H](C)c2cnn(C(C)C)c2)C1	161022770	ZLFOTSKCEUZUAF-IRXDYDNUSA-N	320.525	4.015	70	20	DIID	
CC(C)[C@H](N[C@H](C)c1ccco1)c1ccc2c(c1)OCCO2	161036034	UYHKYLPRWTXGTI-ACJLOTCBSA-N	301.386	4.099	70	20	DIID	
O=C(c1ncoc1-c1ccccc1)N1CCc2c(Cl)cccc21	161476365	UCACKBMZDMOZIV-UHFFFAOYSA-N	324.767	4.198	70	20	DIID	
Cc1nc(C(C)C)sc1[C@H](C)NC[C@@](C)(O)c1ccsc1	159924192	QTRIYIDBQGCSSY-MEDUHNTESA-N	324.515	4.195	70	20	DIID	
CC[C@H](NC(=O)c1ccc(C)c(Cl)c1)c1c(C)noc1C	160195270	UPMNISNVHYFQHL-AWEZNQCLSA-N	306.793	4.134	70	20	DIID	
C[C@@H](CC(=O)Nc1ccccc1CC(F)(F)F)c1ccncc1	160853394	BVSYAERIUNZLEJ-LBPRGKRZSA-N	322.330	4.319	70	20	DIID	
CC[C@@H](C)C(=O)Nc1ccc(-c2nc3ccccc3s2)cn1	218126969	YZAZVDJCSRDCKY-LLVKDONJSA-N	311.410	4.343	70	20	DIID	
Cc1ccsc1[C@H]1C[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1F	159555654	RLICEAOLIBGHDN-LEWSCRJBSA-N	321.392	4.316	70	20	DIID	
CC[C@H](CN[C@H](C)c1cncc(F)c1)Oc1ccccc1Cl	160450179	DSHRGGGZKHIXLA-IUODEOHRSA-N	322.811	4.382	70	20	DIID	
CCC(CC)n1ncc(C(=O)N(C)[C@H](C)c2cccs2)c1C	160016977	RAPNLGXYWRKBGV-CYBMUJFWSA-N	319.474	4.447	70	20	DIID	
CC[C@H](CN[C@@H](C)c1cnn(C(C)C)c1)Oc1ccccc1F	160333605	CXZZFAAJDOHEJU-GOEBONIOSA-N	319.424	4.111	70	20	DIID	
CS[C@H](C)CC(=O)Nc1ccc(C)cc1OCC(F)(F)F	160967978	HYUQOLBCBDXPPK-SNVBAGLBSA-N	321.364	4.016	70	20	DIID	
Cc1ccccc1OCCCNC(=O)Nc1ccccc1Cl	217300262	DZUVQAHWXKJSRM-UHFFFAOYSA-N	318.804	4.239	70	20	DIID	
CCC[C@@H](C)CC(=O)O[C@@H](c1c(C)nn(C)c1C)C(F)(F)F	159901398	QWDHQBPZPVCEFM-OTYXRUKQSA-N	320.355	4.010	70	20	DIID	
CC[C@@H](Sc1nncc2ccccc12)C(=O)c1ccccc1	160229616	AGZDFVZICOHPDJ-MRXNPFEDSA-N	308.406	4.383	70	20	DIID	
CC[C@@H](Cc1ccccc1)N(C)C(=O)C[C@@H](C)c1ccncc1	160843113	RKEZBYJMDUSPSC-APWZRJJASA-N	310.441	4.055	70	20	DIID	
CCCn1nc(C)c(C(=O)N[C@@H](C)c2ccccc2Cl)c1C	161409535	AIXFJUDIMDMLGD-NSHDSACASA-N	319.836	4.054	70	20	DIID	
CN(Cc1ccncc1)C(=O)c1ccccc1OC1CCCCC1	159523842	BAIISUZNFHPYJU-UHFFFAOYSA-N	324.424	4.065	70	20	DIID	
C[C@H](c1ccco1)N(C)Cc1ncc(-c2ccccc2F)o1	159758581	GFRQPOLWALUGAU-GFCCVEGCSA-N	300.333	4.267	70	20	DIID	
CCN(Cc1cccs1)C(=O)c1cncc(-c2ccccc2)c1	160008193	MLCVUTSNRYCOKW-UHFFFAOYSA-N	322.433	4.472	70	20	DIID	
Cc1nc(-c2ccsc2)ccc1C(=O)N1[C@@H](C)CC[C@@H]1C	161491548	DHHGLQDGHJURAN-RYUDHWBXSA-N	300.427	4.132	70	20	DIID	
CN1[C@H]2CC[C@H]1CC(N[C@H](c1cccs1)C1CCCC1)C2	218112120	IFLNFKIEMQQSIS-BQFCYCMXSA-N	304.503	4.194	70	20	DIID	
CC[C@@H](NC(=O)C(C)(C)Cc1ccccc1)c1c(C)noc1C	159979986	IDOYCDSQFZMHSO-MRXNPFEDSA-N	314.429	4.128	70	20	DIID	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1ccccc1OC(F)F	160359784	CEOIMCPNHASVIJ-QWRGUYRKSA-N	323.364	4.400	70	20	DIID	
FC(F)(F)c1cccnc1N[C@@H]1CCO[C@@H](c2ccccc2)C1	160590166	UOLJJHXPIVSNOF-UKRRQHHQSA-N	322.330	4.433	70	20	DIID	
CC(=O)Nc1ccccc1CNc1ccccc1OC(C)(C)C	160634269	YRFKNXCROCJUQV-UHFFFAOYSA-N	312.413	4.434	70	20	DIID	
CCOc1ccc(NC(=O)N2CC[C@@H]3CCCC[C@@H]32)cc1F	160736015	IHBJUVOTHPKPHN-WFASDCNBSA-N	306.381	4.021	70	20	DIID	
CC[C@@H](NCc1ccc(OC(C)C)nc1)c1ccc(F)cc1	160766237	BFJNMMHIYSNNJY-QGZVFWFLSA-N	302.393	4.249	70	20	DIID	
C[C@H](N[C@H](CCCO)c1ccccc1)c1cc(F)cc(F)c1	160805634	GVGXNJSAMUIOHB-SCLBCKFNSA-N	305.368	4.129	70	20	DIID	
Cc1cccc([C@@H]2CCCN2Cc2ncc(-c3ccccc3)o2)n1	160191082	RGQLONFHGDYVFR-SFHVURJKSA-N	319.408	4.382	70	20	DIID	
CC[C@@H](C(=O)NCc1cccc2cccnc12)c1ccc(F)cc1	159504610	AYFLZJOSYKKPGR-GOSISDBHSA-N	322.383	4.184	70	20	DIID	
Cc1ccccc1[C@H](C)CC(=O)N[C@H]1CCOC2(CCCC2)C1	160014191	HSIZWJWCVVOCBM-SJORKVTESA-N	315.457	4.097	70	20	DIID	
CC(C)(C)c1nsc(N[C@H]2CCO[C@@H](c3ccccc3)C2)n1	160357892	UFPCKJDKNAOTBZ-UONOGXRCSA-N	317.458	4.168	70	20	DIID	
CC[C@H](NC(=O)C[C@@H](C)C1CCCCC1)c1c(C)noc1C	160502636	JDDWIZNEOLWCCI-WBMJQRKESA-N	306.450	4.465	70	20	DIID	
Cc1ccc(C(=O)CCNC(C)(C)c2nc(C)c(C)s2)cc1	160636638	PPMGOTLQQUOZBJ-UHFFFAOYSA-N	316.470	4.166	70	20	DIID	
Cc1ccsc1C(=O)Nc1cc(F)ccc1OC(F)F	159404379	UZUMTLUNWVBZTM-UHFFFAOYSA-N	301.289	4.049	70	20	DIID	
CCCCn1ncc(NC(=O)N(C)[C@@H](C)c2cccs2)c1C	159612812	RPDUUDMGYWSGFW-ZDUSSCGKSA-N	320.462	4.278	70	20	DIID	
Cc1cccc(C(=O)NCCCO[C@H](C)c2ccccc2)c1F	159700217	QCKUSBDEOPHQLL-OAHLLOKOSA-N	315.388	4.032	70	20	DIID	
CC[C@@H](CC(=O)N[C@@H]1CCOC2(CCCC2)C1)c1ccccc1	159881377	QNSQBTFDZYZZMI-FUHWJXTLSA-N	315.457	4.178	70	20	DIID	
CCC[C@H](C(=O)N[C@H](CC)c1c(C)noc1C)c1ccccc1	160332977	PSLXTSBHZKHDPK-DLBZAZTESA-N	314.429	4.443	70	20	DIID	
Cc1nc2ccc(NC(=O)[C@@H]3C[C@H]3c3sccc3C)cc2o1	160775781	QSDWGQXLZMPHQD-CHWSQXEVSA-N	312.394	4.248	70	20	DIID	
CC(C)(C)c1ccccc1NC(=O)N[C@H]1CCO[C@@H](C2CC2)C1	161026509	KAXFBKZCJPHSRS-WMLDXEAASA-N	316.445	4.063	70	20	DIID	
CCc1ccccc1NC(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1	161110498	GWZLQMRJCSYOSA-IEBWSBKVSA-N	324.424	4.291	70	20	DIID	
C[C@H]1CC[C@H](C)N1C(=O)COc1ccccc1-c1ccccc1	161404402	PBLDVFSWCPMCGP-HOTGVXAUSA-N	309.409	4.132	70	20	DIID	
Cc1ccccc1CC(=O)Nc1scnc1-c1ccccc1	161433849	MOCYYEANNXZREV-UHFFFAOYSA-N	308.406	4.300	70	20	DIID	
CC[C@H](NC(=O)[C@H](C)CC1CCCCC1)c1c(C)noc1C	160467083	KCUIDHMYCLZDAP-WBMJQRKESA-N	306.450	4.465	70	20	DIID	
O=C(CCC1CCCCC1)N[C@@H]1CCOC2(CCCCC2)C1	160470961	DZTZUDFWDZHJKW-QGZVFWFLSA-N	307.478	4.345	70	20	DIID	
Cc1cccc(C)c1NC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1	161064909	WNGDGQQIRMJYNI-ROUUACIJSA-N	324.424	4.345	70	20	DIID	
CCOc1ccc(CNC(=O)Nc2c(C)cccc2CC)cc1	217300801	LNSLMUALMSUEFA-UHFFFAOYSA-N	312.413	4.278	70	20	DIID	
Cc1cc2cc(NC(=O)Cc3c[nH]c4cc(F)ccc34)ccc2[nH]1	159970686	YQGQCDLDPNXJSR-UHFFFAOYSA-N	321.355	4.278	70	20	DIID	
CCCCN(C)C(=O)c1cncc(-c2ccc(Cl)cc2)c1	161028135	VKKDYJSWFWTERV-UHFFFAOYSA-N	302.805	4.274	70	20	DIID	
CC[C@@H]1CCCC[C@H]1NCc1nnc(-c2ccccc2)s1	161430552	ZFLCAMQIOHCWAW-UKRRQHHQSA-N	301.459	4.264	70	20	DIID	
CC[C@@H]1c2ccccc2CCN1C(=O)Nc1cnn(C(C)C)c1	161509415	RSDOOENHNXAEAZ-QGZVFWFLSA-N	312.417	4.005	70	20	DIID	
O=C(NCCc1ccc(Cl)cc1)NCCC1CCCCC1	217305276	MTNIORKHMSXLDH-UHFFFAOYSA-N	308.853	4.152	70	20	DIID	
Cc1cscc1C(=O)N1C[C@@H](C)CSc2ccccc21	159664821	GNGFTKHDZWIHCM-LLVKDONJSA-N	303.452	4.445	70	20	DIID	
CCC(CC)n1ncc(C(=O)N2CCC[C@@H]2C2CCCC2)c1C	160708187	UANWSYZVXLWBLH-GOSISDBHSA-N	317.477	4.347	70	20	DIID	
C[C@@H]1CCCC[C@H]1N(C)C(=O)c1cncc(-c2ccccc2)c1	161006096	HSGQMYJCGKBQME-DNVCBOLYSA-N	308.425	4.399	70	20	DIID	
O=C(c1ccoc1)N1CCSc2ccc(C(F)(F)F)cc21	161377709	UKJGGSORRDHEIT-UHFFFAOYSA-N	313.300	4.051	70	20	DIID	
Cc1ccc(N[C@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)cc1	218730565	ZIZUSAOJBTUOTD-HUUCEWRRSA-N	322.408	4.419	70	20	DIID	
CCc1noc(C)c1CNc1ccc(F)c(C(F)(F)F)c1	159424192	LERFEFAPMODQIX-UHFFFAOYSA-N	302.271	4.315	70	20	DIID	
c1ccc([C@H](NC2CCOCC2)c2cc3ccccc3o2)cc1	159730955	ZCGYMCXOCWEQPG-FQEVSTJZSA-N	307.393	4.291	70	20	DIID	
CC(C(=O)N[C@@H](c1cccc(C)c1)c1ccccn1)=C1CCCC1	159994263	HNQXGGRWTFYVLN-FQEVSTJZSA-N	320.436	4.486	70	20	DIID	
CC(C)c1ccc(C(=O)N2CCC[C@H]2c2ccc(F)cc2)cn1	160621104	MNDODMVZXHGKCW-SFHVURJKSA-N	312.388	4.321	70	20	DIID	
CS[C@@H]1CCC[C@H](NC(=O)CC(C)(C)c2ccccc2)C1	217228568	YOKWATWZIHNCBP-JKSUJKDBSA-N	305.487	4.145	70	20	DIID	
O=C(NCCc1cscn1)Nc1ccccc1-c1ccccc1	159611665	LDNJJDROTMJIGM-UHFFFAOYSA-N	323.421	4.174	70	20	DIID	
CC(C)Oc1ccc(CN[C@H](C)c2ccc(Cl)s2)cn1	160048598	MXFAEHNBOKTLSY-LLVKDONJSA-N	310.850	4.435	70	20	DIID	
CC[C@@H](NCc1ccc(OC(C)C)nc1)c1ccc(OC)cc1	160063684	ISZNSVUBSGCNQT-GOSISDBHSA-N	314.429	4.118	70	20	DIID	
C[C@H](Cc1ccccc1Cl)C(=O)N[C@H](C)c1cccc(O)c1	160710985	KIDYOIAXOILYLU-CHWSQXEVSA-N	317.816	4.102	70	20	DIID	
CC1(C)C[C@H](NC(=O)Nc2ccc(C(C)(C)C)cc2)CCO1	160727009	SESCTASWLKEYKA-OAHLLOKOSA-N	304.434	4.063	70	20	DIID	
FC(F)=C(F)CCSc1nnc(Cc2cccs2)o1	216700363	XSJKJDYGNDHADQ-UHFFFAOYSA-N	306.334	4.282	70	20	DIID	
CCOc1ccccc1CNC(=O)C[C@@H](C)c1ccccc1C	217218253	TUTBYWRQUNDTAM-MRXNPFEDSA-N	311.425	4.204	70	20	DIID	
CC(C)N(C(=O)CN[C@H](c1ccccc1)C1CC1)c1ccccc1	217553694	AYOHSJLOVMQAKE-OAQYLSRUSA-N	322.452	4.169	70	20	DIID	
C[C@@H](CCn1cccn1)Nc1ccc(CCC(F)(F)F)cc1	159380664	KXHUXIMAPRFMFL-ZDUSSCGKSA-N	311.351	4.269	70	20	DIID	
CC(C)c1cc(C(=O)N2c3ccccc3S[C@H](C)[C@H]2C)no1	160263245	VLVGLFKXYSVDLN-VXGBXAGGSA-N	316.426	4.328	70	20	DIID	
CC[C@@H](C(=O)Nc1cccc(OCCF)c1)c1ccccc1	160496196	BTXYFMRQBZPVGQ-QGZVFWFLSA-N	301.361	4.167	70	20	DIID	
CC[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1c(C)noc1C	160622746	RNCKAVXFRZRBJF-MRXNPFEDSA-N	314.429	4.470	70	20	DIID	
COc1ccc(C(F)(F)c2nc(C3CCCCC3)no2)cc1	161451087	JPMBLTNZPYQDSM-UHFFFAOYSA-N	308.328	4.266	70	20	DIID	
C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1ccc(N)cc1	161453741	DNNKPSUNMCHXAW-QWHCGFSZSA-N	316.832	4.186	70	20	DIID	
CCC(C)(CC)C(=O)Nc1ccc(F)cc1OCC(F)F	159523974	LDRHKLFUFQIURD-UHFFFAOYSA-N	303.324	4.234	70	20	DIID	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1F	159555504	RLICEAOLIBGHDN-ZLKJLUDKSA-N	321.392	4.316	70	20	DIID	
CSc1cccc(N(C)C(=O)c2ccc(F)c(Cl)c2)c1	159779255	SFQUQEBZCQPOKI-UHFFFAOYSA-N	309.793	4.478	70	20	DIID	
Cc1cc(C)c(NC(=O)[C@@H](C)Sc2ccncc2)c(Cl)c1	159979968	GHGGXNYHPJKDHB-GFCCVEGCSA-N	320.845	4.471	70	20	DIID	
O=C(CSc1ccc(F)cc1)N[C@H]1CCCc2sccc21	159984595	CGXLLGQNZXPQTJ-AWEZNQCLSA-N	321.442	4.173	70	20	DIID	
Cc1cc(C)c(Br)c(C(=O)Nc2ccsc2)c1	160092710	FJDADBBEMMTGCH-UHFFFAOYSA-N	310.216	4.380	70	20	DIID	
c1ccc(-c2nnc(CN[C@@H]3CCCc4ccccc43)s2)cc1	160734901	AITYTZMTBWMEFV-QGZVFWFLSA-N	321.449	4.372	70	20	DIID	
Cc1ccsc1[C@H]1C[C@H]1C(=O)NCCSc1ccccc1	159776289	PEEKXJNRVFRQPX-LSDHHAIUSA-N	317.479	4.069	70	20	DIID	
O=C(CC1CCCCCC1)N[C@@H]1CCOC2(CCCCC2)C1	160645623	LQWLOYVVRUGKPH-QGZVFWFLSA-N	307.478	4.345	70	20	DIID	
CC(=O)Nc1cccc([C@@H](C)NC[C@@H]2CCc3ccccc32)c1	160955187	PFVNXPARGHDIHR-KDOFPFPSSA-N	308.425	4.026	70	20	DIID	
CCC(CC)(CC)CNC(=O)N1CCC[C@@H]1c1ccncc1	159740257	QVDGKFOXTRYPSY-MRXNPFEDSA-N	303.450	4.145	70	20	DIID	
C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1cncc(-c2ccccc2)c1	161005859	HSGQMYJCGKBQME-BEFAXECRSA-N	308.425	4.399	70	20	DIID	
CCN(Cc1ccccn1)[C@@H](C)c1ncc(-c2ccccc2)o1	161062007	VESBDBLPAVZUMR-HNNXBMFYSA-N	307.397	4.320	70	20	DIID	
C[C@H](NC1CCN(C)CC1)c1cccc(OCc2ccccc2)c1	161414515	NMVNQQUMLSWVAB-KRWDZBQOSA-N	324.468	4.010	70	20	DIID	
Cc1ccc(Cl)cc1NC(=O)NCCCOc1ccccc1	217299685	HBNYIUSKCKSBLG-UHFFFAOYSA-N	318.804	4.239	70	20	DIID	
CCc1ccc(CN(C(=O)C[C@H](C)c2ccncc2)C2CC2)cc1	159515640	HLWMQFJTDBCDHJ-INIZCTEOSA-N	322.452	4.329	70	20	DIID	
O=C(NCCc1cc2ccccc2[nH]1)[C@@H]1CCCc2sccc21	159673363	ISCIWLGZGAQHKZ-MRXNPFEDSA-N	324.449	4.008	70	20	DIID	
CCCCn1ncc(NC(=O)N2CCC[C@H]2C2CCCC2)c1C	160133884	QIEANRFOIZPLTF-KRWDZBQOSA-N	318.465	4.178	70	20	DIID	
C[C@@H]1CN(C(=O)Nc2cccc(COCC3CC3)c2)CC[C@H]1C	160302127	FLWZYTLGPODSNX-HUUCEWRRSA-N	316.445	4.123	70	20	DIID	
CN(C)c1ccc(Cl)cc1NC(=O)N(CC1CC1)CC1CC1	160549002	GKKAKGWLACKMMX-UHFFFAOYSA-N	321.852	4.060	70	20	DIID	
C[C@H]1CSc2ccccc2N(C(=O)c2ccc(F)cc2)C1	159665547	KSMBLUVKIGEPHG-GFCCVEGCSA-N	301.386	4.214	70	20	DIID	
CC[C@H](CN[C@@H](C)c1cncs1)Oc1ccccc1Cl	160439284	GDJGNJWKVKBBSN-NWDGAFQWSA-N	310.850	4.305	70	20	DIID	
CCS(=O)(=O)c1ccc([C@@H](C)N[C@@H](C)C2CCCCC2)cc1	159650909	QZWPMRUPEBNQAB-LSDHHAIUSA-N	323.502	4.100	70	20	DIID	
CN(Cc1ccsc1)c1ncc(Cl)cc1Br	159732066	LTUMNPANHFZVIY-UHFFFAOYSA-N	317.639	4.195	70	20	DIID	
CC(C)(C)c1ccc(NC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)cc1	160965378	PHONMEBKYCIQHH-SJORKVTESA-N	316.445	4.063	70	20	DIID	
CCCCCCC(=O)NCc1ccc(Br)s1	161277695	JFOANIDWSFIROZ-UHFFFAOYSA-N	304.253	4.097	70	20	DIID	
Cc1nc(C(C)(C)C)sc1[C@H](C)N[C@H]1CCOC(C)(C)C1	159982443	DYKBURCUKBTQJB-AAEUAGOBSA-N	310.507	4.357	70	20	DIID	
C[C@@H]1CC[C@@H](CC(=O)O[C@@H](c2ccccn2)C(F)(F)F)C1	160102812	KAPXPKWBEWQHBD-GYSYKLTISA-N	301.308	4.055	70	20	DIID	
O=C(c1cccc(NCc2cccc3[nH]ccc23)c1)N1CCCC1	160108013	OQOZFTKGQBOBCD-UHFFFAOYSA-N	319.408	4.016	70	20	DIID	
CC[C@@H](NC(=O)[C@H](c1ccccc1)C(C)C)c1c(C)noc1C	160314619	MCSZSLXVUXCNIE-SJORKVTESA-N	314.429	4.299	70	20	DIID	
C[C@@H]1CCC[C@@H](OCCCCCC(=O)Nc2ccncc2)C1	160545190	XQGXZSRHCQLUFR-NVXWUHKLSA-N	304.434	4.176	70	20	DIID	
C[C@H](CCC1CCCCC1)NC(=O)C[C@@H](C)c1ccncc1	160619066	OJOQSEICOIPCLK-HZPDHXFCSA-N	302.462	4.440	70	20	DIID	
Cc1ccc(OC(=O)c2cc3cnn(C(C)C)c3nc2C)cc1C	217044677	SVLGVTHDWGLKQD-UHFFFAOYSA-N	323.396	4.157	70	20	DIID	
CC(C)(C)c1ccc(NC(=O)NCCc2cccc(F)c2)cc1	217301378	UNNAOMSFXQQPOL-UHFFFAOYSA-N	314.404	4.487	70	20	DIID	
Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NCCC(C)(C)C	159726749	PNPXBIOLFLPEPZ-SNVBAGLBSA-N	305.388	4.149	70	20	DIID	
COc1cc(CCC(=O)N(C)[C@H](C)c2ccco2)ccc1Cl	161135666	DNJCXVYTZZQGGG-GFCCVEGCSA-N	321.804	4.094	70	20	DIID	
C[C@@H](NC[C@@H](c1ccco1)N1CCCC1)c1ccccc1Cl	216631930	IHTKZQDTYLINED-PBHICJAKSA-N	318.848	4.421	70	20	DIID	
C[C@@H](NCCCOc1ccc2ccccc2c1)c1ccccn1	159384182	CLFBWQLPANERLD-MRXNPFEDSA-N	306.409	4.355	70	20	DIID	
C[C@H]1CN(C(=O)Nc2cc(C(C)(C)C)on2)[C@@H]1c1ccccc1	159391255	LFDHJMKKNVCWKL-LRDDRELGSA-N	313.401	4.197	70	20	DIID	
Fc1ccccc1-c1cnc(CN2CCC[C@@H]2C2CCC2)o1	160454777	ANKZLHYEVUXSJK-MRXNPFEDSA-N	300.377	4.245	70	20	DIID	
Cc1cc(NC(=O)C[C@H](C)c2ccncc2)c2cccnc2c1C	160893397	YXPAYSIGZNQLAG-AWEZNQCLSA-N	319.408	4.379	70	20	DIID	
Cc1cc(N(C)C)ccc1NC(=O)[C@@H](c1ccccc1)C1CC1	159398219	YXHLIBYDVXCAOO-IBGZPJMESA-N	308.425	4.193	70	20	DIID	
CCOC(CCN[C@H](C)c1ccc(Cl)cc1Cl)OCC	159532228	CXTYQIFCKYTPPZ-LLVKDONJSA-N	320.260	4.433	70	20	DIID	
Cc1cccc([C@H](NC(=O)C[C@H]2CC[C@H](C)C2)c2ccccn2)c1	159963210	IDYLZAVOUDSIJB-FIKGOQFSSA-N	322.452	4.422	70	20	DIID	
CC[C@H](NC(=O)C[C@H](C)c1ccccc1C)c1c(C)noc1C	160203342	HINZRJDHMOZUHJ-GUYCJALGSA-N	314.429	4.361	70	20	DIID	
CC[C@H](NC(=O)C[C@H](C)C1CCCCC1)c1c(C)noc1C	160502912	JDDWIZNEOLWCCI-LRDDRELGSA-N	306.450	4.465	70	20	DIID	
CC(C)c1ccc(C(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)cn1	160591817	NKTJPTVMTLEQGR-GFCCVEGCSA-N	318.367	4.316	70	20	DIID	
COc1ccc2c(c1)[C@@H](NCCCCc1nc(C)cs1)CC2	160659108	PZUAZUZWJHHLEH-KRWDZBQOSA-N	316.470	4.060	70	20	DIID	
CC(=O)Nc1cc(NC(=O)C(C)(C)C2CCCC2)ccc1Cl	161151929	BBRBIUSGHAJPEJ-UHFFFAOYSA-N	322.836	4.453	70	20	DIID	
Cc1ccc(Cl)c(NC(=O)Cc2cc(F)c(F)cc2F)c1	161258135	DOEBAADCVGDRPO-UHFFFAOYSA-N	313.706	4.247	70	20	DIID	
CC[C@H]1CCCC[C@H]1NCC(=O)Nc1c(C)cc(C)cc1C	161407803	WWCRPQRQAYWGOX-DLBZAZTESA-N	302.462	4.109	70	20	DIID	
Cc1ccc(NC(=O)CN[C@@H](C)c2cc3ccccc3o2)cc1C	216685260	NSIXPHVLIXWLIF-HNNXBMFYSA-N	322.408	4.339	70	20	DIID	
CN(C(=O)C(C)(C)Oc1ccc(F)cc1)C1CCCCCC1	217148217	HDRXIXWGDJNLSV-UHFFFAOYSA-N	307.409	4.164	70	20	DIID	
CCOc1ccc(CNC(=O)Nc2ccc(F)c(Cl)c2)cc1	217300969	SFRGPVZKDFFPNM-UHFFFAOYSA-N	322.767	4.200	70	20	DIID	
Cc1ccc(CCNC(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)cc1	217307857	PLKMZPLRGYQVRU-XLIONFOSSA-N	314.473	4.148	70	20	DIID	
Cc1ccc(-c2n[nH]c(NC(=O)C[C@@H]3CC[C@@H](C)C3)c2C)o1	161411395	KLTIOFUQOYWWMS-ZWNOBZJWSA-N	301.390	4.051	70	20	DIID	
Cc1cccc([C@H](C)NC(=O)Nc2ccccc2N(C)C)c1C	217216123	SKGAKZFTCVIHBH-HNNXBMFYSA-N	311.429	4.252	70	20	DIID	
Cc1ccsc1CCCC(=O)N(C)CCc1ccccc1	161045202	BVYCZBZIISKMIO-UHFFFAOYSA-N	301.455	4.080	70	20	DIID	
CC(=O)NC1CCC(Nc2cccc(-c3cccs3)c2)CC1	161134203	YJNLCSNWCDTHAQ-UHFFFAOYSA-N	314.454	4.274	70	20	DIID	
Cc1ccc(NC(=O)OC(C)(C)C)cc1NCc1cccn1C	160426034	BSESLINPFRJPLT-UHFFFAOYSA-N	315.417	4.293	70	20	DIID	
C[C@H](NCCCc1nc2c(s1)CCCC2)c1cccs1	160592301	ZQAFCVCCWCSYGH-LBPRGKRZSA-N	306.500	4.367	70	20	DIID	
C[C@@H](c1cccc(Cl)c1)N(C)CC[C@@H](O)c1ccccc1	217845868	GERPSQYHZULEDQ-KBXCAEBGSA-N	303.833	4.457	70	20	DIID	
CCc1cccc(N[C@@H](C)C(=O)Nc2cccc(SC)c2)c1	218737920	COWQFVFCNVCGII-ZDUSSCGKSA-N	314.454	4.410	70	20	DIID	
Cc1ccc(NC(=O)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)cc1	159770878	DUXCTLWXGKHCKK-LPHOPBHVSA-N	324.424	4.284	70	20	DIID	
FC(F)(F)c1ccc(NCc2c[nH]nc2-c2ccccc2)cn1	160063935	NZVSLGFFHHZRSS-UHFFFAOYSA-N	318.302	4.103	70	20	DIID	
CCN(CC)CCC[C@H](C)NCc1ccc(Cl)cc1F	160648080	MHSMPWJJEDIQRL-ZDUSSCGKSA-N	300.849	4.079	70	20	DIID	
C[C@@H](CC1CC1)NCC1(c2ccc(Cl)cc2)CCOCC1	160899919	GGCREYLFYVWJEX-AWEZNQCLSA-N	307.865	4.166	70	20	DIID	
CC[C@@H]1CCCCN1C(=O)Nc1cccc(Br)c1	217275743	IMPQIIMIQZGKSO-CYBMUJFWSA-N	311.223	4.246	70	20	DIID	
CCS[C@@H]1CCC[C@@H](NC2CCN(c3ccccc3)CC2)C1	159416452	NICLPYSWORGWCU-IEBWSBKVSA-N	318.530	4.309	70	20	DIID	
COc1ccc(N(C)C(=O)CCc2cccc(Cl)c2)cc1F	159549618	RXUWFJFHZIBWBJ-UHFFFAOYSA-N	321.779	4.083	70	20	DIID	
CC[C@@H](NC(=O)C[C@@H](C)c1ccccc1F)c1c(C)noc1C	160078584	DTDLRWHDHXWRJT-BDJLRTHQSA-N	318.392	4.192	70	20	DIID	
Cc1cc(F)cc2c1N(C(=O)C[C@H](C)c1ccncc1)CCC2	160505920	ZHYPDBOSLYMYAQ-ZDUSSCGKSA-N	312.388	4.002	70	20	DIID	
CC[C@@H](C(=O)N[C@@H]1CCOC2(CCCCC2)C1)c1ccccc1	160855418	CXWIWGLNPNEMER-QZTJIDSGSA-N	315.457	4.178	70	20	DIID	
Cc1n[nH]c(C)c1NC(=O)CCCCCO[C@@H]1CCC[C@H](C)C1	161177292	SILAGDWYIDNZKM-XJKSGUPXSA-N	321.465	4.121	70	20	DIID	
COCc1ccc([C@H]2CCCN2C(=O)CCCC2CCCC2)o1	161338543	AZYPQBUORAOXFH-QGZVFWFLSA-N	319.445	4.450	70	20	DIID	
Cc1cccc(CCCOC(=O)c2cc(C)nc3ccccc23)n1	216823506	YLHDPHZPRGUYSN-UHFFFAOYSA-N	320.392	4.036	70	20	DIID	
CCc1nc(CN[C@H](c2ccc(Cl)cc2)C2CCCC2)n[nH]1	160416554	GYHJSJAOHBVBTM-KRWDZBQOSA-N	318.852	4.042	70	20	DIID	
CCCOc1ccc([C@@H](C)N[C@@H](C)c2cncs2)cc1OC	159989388	QCAASMMVHCKHED-OLZOCXBDSA-N	320.458	4.352	70	20	DIID	
CC(C)(C)c1cnc([S@@](=O)Cc2ccccc2Cl)s1	160468232	UKRLNXADVRVRAP-LJQANCHMSA-N	313.875	4.402	70	20	DIID	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)N(C)Cc1ccc(F)c(F)c1	160793069	QOPRCLIPMVEKDX-STQMWFEESA-N	321.392	4.097	70	20	DIID	
CC(C)[C@@H](O)C(C)(C)CNC(=O)Nc1ccccc1C(C)(C)C	160867493	UXZVXCDKLNFKDP-MRXNPFEDSA-N	320.477	4.149	70	20	DIID	
Cc1ccc(C(=O)Nc2cccc(Oc3ccccc3)c2)n1C	216788212	YQWFFWBZFVAKPI-UHFFFAOYSA-N	306.365	4.378	70	20	DIID	
Cc1ccccc1OCCCNC(=O)Nc1cccc(C)c1C	217300340	XMCDGSMCEKEWGP-UHFFFAOYSA-N	312.413	4.202	70	20	DIID	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N(C)Cc1ccccc1Cl	159439139	BCDOBAXKNZJZBM-KGLIPLIRSA-N	319.857	4.472	70	20	DIID	
Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2cccc3[nH]cnc23)o1	159750665	IRVVFAAVKNBEFN-BLLLJJGKSA-N	323.396	4.078	70	20	DIID	
O=C(CCc1ccc2[nH]ccc2c1)N[C@H]1CCCc2sccc21	159822744	XKTVWFWFNNBFPY-KRWDZBQOSA-N	324.449	4.356	70	20	DIID	
CC(C)c1ccc(C(=O)N2CCC[C@H]2c2cccs2)cn1	160013087	VGDCZNQBSAOXTG-HNNXBMFYSA-N	300.427	4.244	70	20	DIID	
COc1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1Cl	160042397	WWKTVQYPAAAIOB-UHFFFAOYSA-N	310.180	4.279	70	20	DIID	
CC(C)(C)c1cnc([S@](=O)Cc2ccc(Cl)cc2)s1	160580032	MGFVNRXRCKCVDK-IBGZPJMESA-N	313.875	4.402	70	20	DIID	
CCO[C@H](C)c1nccn1Cc1cccc(Br)c1C	161495368	TUXDDPIMLRMMRY-GFCCVEGCSA-N	323.234	4.100	70	20	DIID	
COc1ccc([C@@H](C)NCc2coc3ccccc23)c(OC)c1	159803222	VPLVTNYQSLDCCW-CYBMUJFWSA-N	311.381	4.301	70	20	DIID	
Cc1cccnc1NC(=O)c1cncc(-c2ccc(Cl)cc2)c1	159876334	HQNOVVAYGUJLEB-UHFFFAOYSA-N	323.783	4.358	70	20	DIID	
Cc1cccc([C@H](NC(=O)[C@@H]2CCC[C@H](C)C2)c2ccccn2)c1	159890287	LUXWNAVURXELLN-HQRMLTQVSA-N	322.452	4.422	70	20	DIID	
Cc1nc(NC(=O)[C@H](C)c2ccc(Cl)s2)cc(C2CC2)n1	160023300	VRGQZGBZAOUQBL-MRVPVSSYSA-N	321.833	4.120	70	20	DIID	
CC(C)CCc1nc(Cn2nc(C3CC3)nc2C2CC2)cs1	161422905	HIEHTBXTUSGSEL-UHFFFAOYSA-N	316.474	4.126	70	20	DIID	
Clc1ccc2nccc(N[C@H]3CCO[C@H](C4CC4)C3)c2c1	160467811	RLKIRRAGBLRUAI-GUYCJALGSA-N	302.805	4.258	70	20	DIID	
CC[C@@H](NCc1cccc(NC(C)=O)c1)c1ccc(F)cc1	160756799	UUYTXWLUQHOTRR-GOSISDBHSA-N	300.377	4.025	70	20	DIID	
C[C@@H](N[C@H](CCCO)c1ccccc1)c1cc(F)cc(F)c1	160805735	GVGXNJSAMUIOHB-FZKQIMNGSA-N	305.368	4.129	70	20	DIID	
Cc1cc(C)cc(NC(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)c1	161010682	IZFAMFPCADBJSG-MJGOQNOKSA-N	324.424	4.345	70	20	DIID	
C[C@@H]1CSc2ccccc2N(C(=O)CC[C@H]2CC[C@@H](C)O2)C1	159569000	LIUNFOVESDQVDE-RRFJBIMHSA-N	319.470	4.109	70	20	DIID	
CCc1noc(C)c1CS[C@H](C)C(=O)Nc1cccc(C)c1	160084565	MPCCECKWUTWEON-CYBMUJFWSA-N	318.442	4.114	70	20	DIID	
CN(CCc1ccccc1)C(=O)N[C@H](c1ccccc1)C1CCC1	216873825	LCAHTQRJVGPATK-HXUWFJFHSA-N	322.452	4.412	70	20	DIID	
CC[C@H](N[C@@H]1CCSc2ccc(Cl)cc21)[C@@H]1CCOC1	159467298	PRYJNDJMNKGXIY-BYCMXARLSA-N	311.878	4.282	70	20	DIID	
CCCCn1ncc(NC(=O)N(C)C2CCCCCC2)c1C	159827757	OOMFAHHTFFNSMA-UHFFFAOYSA-N	306.454	4.178	70	20	DIID	
C[C@@H](CC(=O)N1CCC[C@H](C(C)(C)C)CC1)c1ccncc1	160633316	BVCNXUAXFWZUSW-RDJZCZTQSA-N	302.462	4.250	70	20	DIID	
CCN(CC)c1ccc(NCc2cc(Cl)ccc2F)cn1	160716906	VGBCURJREXEBPR-UHFFFAOYSA-N	307.800	4.332	70	20	DIID	
COc1cc(C)c(CN[C@H]2CCCc3sccc32)cc1OC	160967570	LMEKPLKOJJZYIA-HNNXBMFYSA-N	317.454	4.241	70	20	DIID	
O=C(Nc1ccc(COCc2ccccc2)cc1)NC1CC=CC1	161277288	RCCAAJMWCMAJAX-UHFFFAOYSA-N	322.408	4.244	70	20	DIID	
CC[C@@H](Sc1ccccc1)C(=O)Nc1ccc2c(c1)CCO2	217116296	WFSMHFXWFPAPLG-QGZVFWFLSA-N	313.422	4.131	70	20	DIID	
Cc1cscc1NC(=O)Nc1cccc(NC(=O)C(C)C)c1	160124157	KAFCIJOBGVYOIQ-UHFFFAOYSA-N	317.414	4.295	70	20	DIID	
CSC[C@H](C)NC(=O)Nc1ccc(COC2CCCC2)cc1	160509494	UIBNYKPMGGPALX-ZDUSSCGKSA-N	322.474	4.019	70	20	DIID	
FC(F)Oc1ccc(N[C@H]2CCO[C@H](c3ccccc3)C2)nc1	160527953	IEOUOSDNBRIVTB-ZFWWWQNUSA-N	320.339	4.015	70	20	DIID	
Cc1cc([C@@H](C)NC(=O)Nc2ccn(CCC(C)C)n2)c(C)o1	160537824	VFPRDKAHTMXLPI-CYBMUJFWSA-N	318.421	4.022	70	20	DIID	
CCCNC(=O)c1cccc(CN[C@H](C)c2sccc2C)c1	160595132	RLVPCSOXOIWZSU-CQSZACIVSA-N	316.470	4.047	70	20	DIID	
CCOc1ccc([C@H](C)N[C@@H](CCCO)c2ccccc2)cc1	160894356	JZNCJXBXVJDXIA-JXFKEZNVSA-N	313.441	4.250	70	20	DIID	
CC(C)(C)[C@@H]1CCN(C(=O)c2cc(Cl)c(N)c(Cl)c2)C1	159510913	WXKGWSHQHCSZOI-SNVBAGLBSA-N	315.244	4.084	70	20	DIID	
CC(C)C(=O)Nc1ccc(Oc2nc(C(C)(C)C)ns2)cc1	159912885	ISFGHKRRZHXXCE-UHFFFAOYSA-N	319.430	4.222	70	20	DIID	
C[C@H](CC(=O)Nc1c(F)cccc1F)c1ccc(F)cc1F	160075084	APVMSGOUKIIIOK-SECBINFHSA-N	311.278	4.375	70	20	DIID	
C[C@@H](CC(=O)N[C@H](C)CCC1CCCCC1)c1ccncc1	160619311	OJOQSEICOIPCLK-JKSUJKDBSA-N	302.462	4.440	70	20	DIID	
Cc1ccc(NC(=O)NCCCOc2ccccc2C)c(C)c1	217300341	XJWPSWKOAYDNJV-UHFFFAOYSA-N	312.413	4.202	70	20	DIID	
C[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(C(F)(F)F)cc1	217312914	NDAOKZXIVZUTIZ-ZWNOBZJWSA-N	300.324	4.406	70	20	DIID	
CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)NCc2cccc(Cl)c2)C1	217314901	IZSFYAMKPDNABG-MAUKXSAKSA-N	320.864	4.450	70	20	DIID	
Cc1nc(-c2ccccc2NC(=O)COc2ccccc2)cs1	218570766	NXGXHDQOFZFXMA-UHFFFAOYSA-N	324.405	4.136	70	20	DIID	
Cc1ccccc1[C@@H](C)Sc1nnc(-c2ccccn2)n1C	159495748	VZINWXMPXICJJK-CYBMUJFWSA-N	310.426	4.039	70	20	DIID	
Fc1ccc2oc(N[C@H]3CCO[C@H](c4ccccc4)C3)nc2c1	160586644	MMDXHSXFXLKQDJ-YOEHRIQHSA-N	312.344	4.299	70	20	DIID	
COC(=O)c1cc(NCc2cc(Cl)ccc2F)ccc1F	160725354	SDCPGPWXCLCJSH-UHFFFAOYSA-N	311.715	4.017	70	20	DIID	
Cc1nc(-c2ccsc2)ccc1C(=O)N1[C@@H](C)CC[C@H]1C	161491427	DHHGLQDGHJURAN-TXEJJXNPSA-N	300.427	4.132	70	20	DIID	
Cc1cnccc1NC(=O)c1cccc(OC2CCCCC2)c1	159390354	ZMPPKHHZENGNBM-UHFFFAOYSA-N	310.397	4.354	70	20	DIID	
CC(=O)c1ccc(NC(=O)CCCc2sccc2C)cc1	160011741	OHYLRTLBCUMVAO-UHFFFAOYSA-N	301.411	4.221	70	20	DIID	
CC[C@H](NC(=O)c1oc2ccccc2c1C)c1c(C)noc1C	160102127	YLSXWTPNYALKIO-AWEZNQCLSA-N	312.369	4.227	70	20	DIID	
Cc1noc(C)c1CCSCc1ccc(OC(F)F)cc1	160132736	VIDSIMNHJRFASO-UHFFFAOYSA-N	313.369	4.369	70	20	DIID	
Cc1ccc(-c2n[nH]c(NC(=O)[C@@H]3CCC[C@H](C)C3)c2C)o1	161435908	BGHOODDFXFKPPP-GXFFZTMASA-N	301.390	4.051	70	20	DIID	
CC[C@H](C)C(=O)N1CCCc2cc(Br)cc(C)c21	216767806	FAJKGADJSLAHDF-JTQLQIEISA-N	310.235	4.083	70	20	DIID	
COc1ccc(Cl)cc1NC(=O)NCCc1ccc(C)cc1	217283318	ILPOCFODJSWGIF-UHFFFAOYSA-N	318.804	4.021	70	20	DIID	
CC(C)c1ccccc1-n1ccnc1SCc1cnn(C)c1	217952834	RBERXMLNWJXAEL-UHFFFAOYSA-N	312.442	4.022	70	20	DIID	
Cc1cccc([C@@H]2CCCN2CCCOCCc2ccccc2)n1	159855160	FFTVLRWYXGXYHO-NRFANRHFSA-N	324.468	4.176	70	20	DIID	
FC(F)n1c(CN2CC[C@@H]3CCCC[C@@H]32)nc2ccccc21	160564195	QAWWCAPAAHGUDU-JSGCOSHPSA-N	305.372	4.196	70	20	DIID	
C[C@H](Cc1cccc(Cl)c1)C(=O)N[C@H](C)c1cccc(O)c1	160259577	JNFAAKZHYGZUJB-CHWSQXEVSA-N	317.816	4.102	70	20	DIID	
Cc1cnc(C(=O)N2CCCC[C@@H]2c2ccc(C(C)C)cc2)cn1	160356342	ULAXTYNAPVBSBM-LJQANCHMSA-N	323.440	4.276	70	20	DIID	
C[C@@H](c1cccs1)N(C)C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F	160914881	IOCGFQMFSAHRSB-CYZMBNFOSA-N	321.392	4.349	70	20	DIID	
CC[C@@H](C)NC(=O)c1cccc(CN[C@@H](C)c2ccc(C)cc2)c1	161139556	WCMRZNKNQZZBLL-SJORKVTESA-N	324.468	4.374	70	20	DIID	
c1ccc(OCCCSCc2noc3c2CCCC3)cc1	217032534	CTBCDEKAZJJPFU-UHFFFAOYSA-N	303.427	4.256	70	20	DIID	
COc1ccc([C@@H](C)NC(=O)NCCC2CCCCC2)cc1	217305084	JUHUYVZYDNYJDG-CQSZACIVSA-N	304.434	4.026	70	20	DIID	
CCOc1ccccc1N(C)Cc1cnc2c(cnn2C(C)C)c1	159436170	SUFZCBZTMNPMFV-UHFFFAOYSA-N	324.428	4.047	70	20	DIID	
O=C(NCC1(C2CC2)CC1)c1cc(F)c(Cl)cc1Cl	160201942	KERAOAWKUVKPMD-UHFFFAOYSA-N	302.176	4.053	70	20	DIID	
CCOc1ccccc1NC(=O)[C@H]1C[C@@H]1c1sccc1C	160358251	KVJPUOCLUZOXMD-STQMWFEESA-N	301.411	4.197	70	20	DIID	
Cc1ccc(NC(=O)c2ccc(C(C)C)nc2)c2cccnc12	160705404	JZNCESVNGHDDKC-UHFFFAOYSA-N	305.381	4.314	70	20	DIID	
Cc1csc(-c2cccc(C(=O)N3[C@@H](C)CC[C@H]3C)c2)n1	161506858	YWHBPZSRNVODNG-BETUJISGSA-N	300.427	4.132	70	20	DIID	
FC(F)(F)c1ccnc(N[C@H]2CCO[C@H](c3ccccc3)C2)c1	160570960	OCVLQCAWSCTQSD-GJZGRUSLSA-N	322.330	4.433	70	20	DIID	
CCCC(=O)Nc1cccc(CN[C@H](C)c2ccc(CC)o2)c1	159943976	YLMSDLACJQQXCZ-CQSZACIVSA-N	314.429	4.431	70	20	DIID	
Cc1ccc(C(N)=O)cc1NCc1ccc(Cl)cc1Cl	160008597	BDEIAASHBZCVBC-UHFFFAOYSA-N	309.196	4.013	70	20	DIID	
O=C(Nc1ccc(C(F)(F)F)cc1Cl)NC1CC=CC1	160484523	PRTDHZNWGZLICD-UHFFFAOYSA-N	304.699	4.199	70	20	DIID	
CC(C)c1cc(=O)n(CCCc2ccc(C(F)(F)F)cc2)cn1	160808197	ZVDCOKOFODNOIP-UHFFFAOYSA-N	324.346	4.018	70	20	DIID	
CCCCOc1cccc(CN[C@H](C)c2cnc(C)nc2C)c1	160821838	OVUPSAUWMWOWSJ-CQSZACIVSA-N	313.445	4.123	70	20	DIID	
Fc1cccc([C@H]2CN(Cc3c(F)cccc3Cl)CCO2)c1	216706282	NJHNYCCODAJOJE-QGZVFWFLSA-N	323.770	4.192	70	20	DIID	
CC(C)N(CC(F)F)C(=O)[C@H](C)Cc1ccc(Cl)cc1	160095055	AHNLDQIPJKNIQJ-LLVKDONJSA-N	303.780	4.021	70	20	DIID	
C[C@@H](CC1CCCC1)C(=O)N[C@@H]1CCOC2(CCCCC2)C1	160443694	RYPGDGSFTVWZIG-DOTOQJQBSA-N	307.478	4.201	70	20	DIID	
CCN(C(=O)Nc1cnn(-c2cc(C)ccc2C)c1C)C(C)C	160881589	OVEDKJDVDJPGBP-UHFFFAOYSA-N	314.433	4.060	70	20	DIID	
O=C(c1ccc2ncccc2c1)N1CCc2c(Cl)cccc21	161494077	LNPDEQJZZZGABZ-UHFFFAOYSA-N	308.768	4.091	70	20	DIID	
CCCCn1ncc(NC(=O)N[C@H](C)C2CCCCC2)c1C	160169209	XLVVZCBPYULRGT-CYBMUJFWSA-N	306.454	4.082	70	20	DIID	
Cc1ccc(-c2nnc([C@@H](C)N(C)Cc3ccco3)o2)cc1C	160539869	XWAGLFXVTPPRCT-CQSZACIVSA-N	311.385	4.139	70	20	DIID	
FC(F)(F)c1cccnc1CN[C@H]1CCCc2sccc21	160986661	LZEYIJMAOFJKCN-LBPRGKRZSA-N	312.360	4.329	70	20	DIID	
C[C@H]1Cc2ccccc2N1C(=O)NCc1ccccc1Cl	217314170	BICJTFNKVQXXRO-LBPRGKRZSA-N	300.789	4.001	70	20	DIID	
CCOc1cccc(CN[C@H]2CCCc3nc(CC)sc32)c1	159392197	LXMHFMOQOSAHOI-HNNXBMFYSA-N	316.470	4.271	70	20	DIID	
CC[C@H](CSC)Nc1ncc(Cl)cc1Br	159639024	XGGUHJMUBQRAQH-MRVPVSSYSA-N	309.660	4.051	70	20	DIID	
CC(C)CN(CC(F)(F)F)C(=O)c1ccc(F)c(Cl)c1	159673028	DSBXZHBMQUMCMN-UHFFFAOYSA-N	311.706	4.140	70	20	DIID	
CC(C)[C@H]1CCCN(CC2CCN(C(=O)C(C)(C)C)CC2)CC1	159699159	WLFIBLUKTKIDDK-SFHVURJKSA-N	322.537	4.029	70	20	DIID	
CCc1noc(C)c1CS[C@@H](C)C(=O)Nc1cccc(C)c1	160084440	MPCCECKWUTWEON-ZDUSSCGKSA-N	318.442	4.114	70	20	DIID	
CC(C)C[C@H](C)Oc1cc(CN[C@@H](C)c2cncs2)ccn1	160812607	DTPVYPJYNVJYOW-KBPBESRZSA-N	319.474	4.202	70	20	DIID	
Cc1ccc(C[C@H]2CCCN2Cc2noc3c2CCCC3)cc1	217181841	NYHYWLHNGZWSCO-QGZVFWFLSA-N	310.441	4.069	70	20	DIID	
C[C@H](CC(=O)N[C@H]1CCOC2(CCCC2)C1)C1CCCCC1	160118400	CMRKTEMWYZMHNJ-WBVHZDCISA-N	307.478	4.201	70	20	DIID	
COc1ccc(N(C)C(=O)[C@H](C)c2ccccc2F)cc1Cl	160188610	HDQVBKCILHBMAV-LLVKDONJSA-N	321.779	4.254	70	20	DIID	
CCCCn1ncc(NC(=O)N2C[C@@H](C)CCC[C@H]2C)c1C	159865259	NVUFGVNCLATHFE-UONOGXRCSA-N	306.454	4.034	70	20	DIID	
CC(C)n1nccc1C(=O)N(C1CC1)[C@H]1CCCc2ccccc21	160083558	MEWVOTFDIUANMR-SFHVURJKSA-N	323.440	4.146	70	20	DIID	
CCc1nc(CN[C@H](c2cccc(Cl)c2)C2CCCC2)n[nH]1	160482872	BYUMIBMFGBXWND-KRWDZBQOSA-N	318.852	4.042	70	20	DIID	
O=C(CCCc1cccs1)N[C@@H]1CCOC2(CCCCC2)C1	160870586	MJHRICHBAZCFQQ-OAHLLOKOSA-N	321.486	4.069	70	20	DIID	
CCc1ncsc1C(=O)N1C[C@@H](C)CSc2ccccc21	159527407	BSUGHHYKFKWRHT-LLVKDONJSA-N	318.467	4.094	70	20	DIID	
Cc1cccc([C@@H]2CCCN2Cc2cccc3cccnc23)n1	159737673	PEKDVQMGZWIIOY-IBGZPJMESA-N	303.409	4.275	70	20	DIID	
COc1ccc(N(C)C(=O)c2ccc(C)c(Cl)c2)cc1F	159813180	AQNCENQXQZYIGC-UHFFFAOYSA-N	307.752	4.073	70	20	DIID	
C[C@@H](CC(=O)O[C@H](c1ccccn1)C(F)(F)F)c1ccccc1	159865101	QCYWQQWFMKNZAQ-BLLLJJGKSA-N	323.314	4.422	70	20	DIID	
CCCCCN(C(=O)Nc1cnn(CCCC)c1C)C(C)C	160065402	FLFXXAZOEWAYOV-UHFFFAOYSA-N	308.470	4.424	70	20	DIID	
COc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)C)cc2)cc1N	161025921	CXNCNUZKWYJOSE-IAGOWNOFSA-N	324.424	4.143	70	20	DIID	
COc1cccc(CCNC(=O)Nc2cccc3ccccc23)c1	217301164	LHRXQKGAUAUATC-UHFFFAOYSA-N	320.392	4.213	70	20	DIID	
Cc1nc(-c2ccccc2)ncc1C(=O)N1C[C@@H](C)CCC[C@H]1C	159489818	JOOBRURIIIYULH-LSDHHAIUSA-N	323.440	4.103	70	20	DIID	
CCCCn1ncc(NC(=O)N(C)[C@H](C)c2cccs2)c1C	159612949	RPDUUDMGYWSGFW-CYBMUJFWSA-N	320.462	4.278	70	20	DIID	
CCCCn1ncc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2C)c1C	159697324	PGTACNKLADRMMN-XJKSGUPXSA-N	306.454	4.034	70	20	DIID	
CSCC[C@H](C)N(C)c1ncc(Cl)cc1Br	159872248	CQFPSHHRIHRMOZ-QMMMGPOBSA-N	323.687	4.075	70	20	DIID	
Cc1nc(COC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)c(C)s1	160410838	MBRHHNLPWGEBEY-WDEREUQCSA-N	321.364	4.172	70	20	DIID	
CN(C)Cc1ccc(CN[C@@H]2CC(C)(C)Cc3occc32)cc1	160864615	KHZDUDMNVRJFDX-GOSISDBHSA-N	312.457	4.145	70	20	DIID	
CC[C@H](C(=O)N[C@H](CC)c1c(C)noc1C)c1ccc(F)cc1	161411543	SLDOMJYVPIFQAW-JKSUJKDBSA-N	318.392	4.192	70	20	DIID	
Cc1ccc(C(=O)Nc2cc(C)nn2-c2ccc(F)cc2)c(C)c1	217341395	HBQVYDJZENFWOU-UHFFFAOYSA-N	323.371	4.189	70	20	DIID	
C[C@@H](NC(=O)Nc1cccc(F)c1F)c1cccc(F)c1F	160464561	RASDZJMASKOVFN-MRVPVSSYSA-N	312.266	4.126	70	20	DIID	
Cc1noc(C)c1[C@H](C)CC(=O)N1CCC[C@@H]1CCC(C)C	160494775	SYCQWBXNIVJVCH-CZUORRHYSA-N	306.450	4.212	70	20	DIID	
FC(F)(F)c1cccc(N[C@H]2CCO[C@@H](c3ccccc3)C2)n1	160544663	XFPVNMKZAWRRNV-UONOGXRCSA-N	322.330	4.433	70	20	DIID	
C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@H]1CCCCO1	160905074	OESADZVJGJSYPW-IINYFYTJSA-N	316.228	4.082	70	20	DIID	
Cc1ccc(C)c(NC(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)c1	160915958	SODUCVOFUQISLV-MJGOQNOKSA-N	324.424	4.345	70	20	DIID	
COCc1ccc([C@@H]2CCCN2C(=O)c2cc(C)sc2C)o1	161484844	SKJGUBKBYHGIRF-HNNXBMFYSA-N	319.426	4.082	70	20	DIID	
C[C@H](NCC(=O)N1[C@@H](C)CCC[C@@H]1C)c1cccc2ccccc12	216663295	LYTJZXSOYGLTFT-ULQDDVLXSA-N	324.468	4.280	70	20	DIID	
Cc1cc(NC(=O)CCSc2ccc(C)c(C)c2)ccn1	217038026	URSYTYCWLATYFV-UHFFFAOYSA-N	300.427	4.128	70	20	DIID	
CCCOc1ccc(Cl)cc1NCc1ccnn1CCC	160099635	ZGQVCZGAIIFHJZ-UHFFFAOYSA-N	307.825	4.347	70	20	DIID	
C[C@H]1CC[C@@H](C)N1C(=O)c1csc(-c2cccc(Cl)c2)n1	161433257	DFXJHQQOWCPMAH-PHIMTYICSA-N	320.845	4.477	70	20	DIID	
C[C@H](CC(=O)N(C)[C@H](C)c1cccc(Cl)c1)c1ccncc1	159519471	RBWJWASMBJOZFK-ZIAGYGMSSA-N	316.832	4.448	70	20	DIID	
CC(C)Sc1ccccc1NC(=O)c1ccnn1C(C)C	159567184	SIZXVLJOIXUEHW-UHFFFAOYSA-N	303.431	4.217	70	20	DIID	
CCC(CC)n1ncc(C(=O)Nc2ccc3ncccc3c2)c1C	159579845	ZEBVHHZQKAQPPQ-UHFFFAOYSA-N	322.412	4.353	70	20	DIID	
CC(C)OCc1ccc(NC(=O)N2CC[C@H](C)[C@H](C)C2)cc1	160198895	ASWAWJKSAHVXEU-LSDHHAIUSA-N	304.434	4.121	70	20	DIID	
CC(C)C[C@@H](N[C@@H](CCCO)c1ccccc1)c1ccccn1	160691116	LQZPJEKLKJDGPZ-AZUAARDMSA-N	312.457	4.272	70	20	DIID	
COc1cccc(CNC(=O)Nc2c(C)cc(C)cc2Cl)c1	217314666	KDMSXBBRXADBRH-UHFFFAOYSA-N	318.804	4.287	70	20	DIID	
COc1cc(Cl)c(C)cc1NC(=O)NCc1cccc(F)c1	217314791	NAUICNMAJYQKAO-UHFFFAOYSA-N	322.767	4.118	70	20	DIID	
CC(C)CC[C@@H](C)NC(=O)N[C@@H]1CCSc2c(F)cccc21	218053087	KBQCBEYNDMHQAF-IUODEOHRSA-N	324.465	4.487	70	20	DIID	
CC(C)[C@H](CC1CCCC1)C(=O)N[C@H]1CCOC2(CCCC2)C1	159637046	WNTAYVGOMYAUPT-ROUUACIJSA-N	321.505	4.447	70	20	DIID	
O=C(N[C@@H]1CCOC2(CCCC2)C1)c1ccc2ccccc2c1	160047298	QRVYTGQUBIDNQU-GOSISDBHSA-N	309.409	4.061	70	20	DIID	
C[C@H](NCc1csc(-c2ccccc2)n1)c1cncs1	161483007	XZQYRSASIQNEMF-NSHDSACASA-N	301.440	4.117	70	20	DIID	
COc1cccc([C@@H](CN[C@H](C)c2ccccc2)N2CCCC2)c1	216667167	XGAVUSLOUUHUCK-DYESRHJHSA-N	324.468	4.183	70	20	DIID	
CC(C)(C)c1ccc(O)c(NC(=O)c2ccnc3ccccc23)c1	217010561	FHPPCAPKBIRDNH-UHFFFAOYSA-N	320.392	4.490	70	20	DIID	
Cc1ccc(-c2noc([C@H](C)N[C@@H]3CCCC[C@@H]3C)n2)cc1F	218716539	BNXHIUCACQJDBD-HEHGZKQESA-N	317.408	4.413	70	20	DIID	
C[C@@H]1CSc2ccccc2N(C(=O)CC[C@H]2CCCCO2)C1	159677388	VWZUWOJIVDPMKR-LSDHHAIUSA-N	319.470	4.111	70	20	DIID	
CCCC(=O)Nc1cccc(CN[C@@H]2CCc3ccccc32)c1	159884136	LZBSJWYKJATEGR-LJQANCHMSA-N	308.425	4.202	70	20	DIID	
CSCCc1ccc(NC(=O)C[C@H](C)c2ccncc2)cc1	160387490	CWCLKTOQYLUCRT-AWEZNQCLSA-N	314.454	4.119	70	20	DIID	
CCOc1ccccc1[C@@H](C)N[C@@H](CCCO)c1ccccc1	160867131	PVEFWHFGBZGASP-APWZRJJASA-N	313.441	4.250	70	20	DIID	
Cc1ccc(CCNC(=O)Nc2ccc(C(F)(F)F)cc2)cc1	217307922	NUSUKFYAKXBPAT-UHFFFAOYSA-N	322.330	4.378	70	20	DIID	
O=C(Nc1cccnc1)N(Cc1ccccc1)Cc1ccccc1	217264714	HYAXQPKPCADJSQ-UHFFFAOYSA-N	317.392	4.316	70	20	DIID	
Cc1cccc(N[C@@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)c1	218727960	PKUZAXXEEIISPV-CABCVRRESA-N	322.408	4.419	70	20	DIID	
CC1(C)CCC(CC(=O)NCc2ncc(C(C)(C)C)o2)CC1	159847638	ZAPNAPYISAMXDU-UHFFFAOYSA-N	306.450	4.195	70	20	DIID	
CC[C@H](NCc1ncc(C)c(OC)c1C)c1ccc(F)cc1F	160844685	ZJAGECNTJQONDD-INIZCTEOSA-N	320.383	4.226	70	20	DIID	
CCC(CC)n1nccc1C(=O)Nc1ccccc1SC	161066546	MKDOXMLKAFSQAZ-UHFFFAOYSA-N	303.431	4.218	70	20	DIID	
CC(C)OC1CCC(NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1	161439402	QCYOAGAPZJHFTN-QHIRMHHVSA-N	321.505	4.445	70	20	DIID	
CCc1ccc([C@@H](C)Nc2nc(Cl)c(C(=O)OC)s2)cc1	217873410	MRFWPUQIOLHNCT-SECBINFHSA-N	324.833	4.319	70	20	DIID	
CC(C)c1ncc(C(=O)N2CCC[C@H]2c2cccc(F)c2)s1	159422779	GRIPBLZSDGMCDT-AWEZNQCLSA-N	318.417	4.383	70	20	DIID	
Cc1cccc(OC(F)F)c1NC(=O)N1CC[C@@H](C)[C@@H](C)C1	161172313	RXHSMURRMPCLDR-PWSUYJOCSA-N	312.360	4.106	70	20	DIID	
CCC(=O)Nc1cccc(C(=O)N(C)[C@H]2CCCC[C@@H]2CC)c1	161290625	SLJJEDMNEKAXHU-YOEHRIQHSA-N	316.445	4.076	70	20	DIID	
CN(C(=O)COc1ccc(F)cc1Cl)C1CCCCCC1	217148261	FVNAEWQHQJIZOH-UHFFFAOYSA-N	313.800	4.039	70	20	DIID	
CCC[C@H](C(=O)Nc1ccccc1NC(=O)NC(C)C)C(C)C	159791868	FEQDYBLMCAMAKG-AWEZNQCLSA-N	319.449	4.227	70	20	DIID	
C[C@@H]1CCC[C@@H](OCCCCCC(=O)Nc2cccc(O)c2)C1	159961033	FIYCLGVPCGZINL-CRAIPNDOSA-N	319.445	4.486	70	20	DIID	
C[C@@H]1CC[C@H](NCc2ccc(CN(C)C)cc2)c2ccccc21	160881984	JIEZIVQQPLOHNK-IERDGZPVSA-N	308.469	4.476	70	20	DIID	
CC[C@@H](C(=O)N[C@H](C)CC(=O)c1cccs1)c1ccccc1	161015276	XVRJUBYXCXKVFX-UKRRQHHQSA-N	315.438	4.019	70	20	DIID	
Cc1ccc(NC(=O)NCCCOc2c(C)cccc2C)cc1	217298053	DXBBBZXDAZEAQE-UHFFFAOYSA-N	312.413	4.202	70	20	DIID	
CC(C)COc1ccc([C@H](C)N[C@H]2CCOC(C)(C)C2)cc1	159950045	NIEMWEIIJVFSMY-RDJZCZTQSA-N	305.462	4.330	70	20	DIID	
Cc1ccc(CNc2cccc(C(=O)N3CCCC3)c2)c(C)c1	160094694	ACBQRWPLJVFSLO-UHFFFAOYSA-N	308.425	4.152	70	20	DIID	
C[C@H](NC[C@@H](Cc1ccccc1)c1ccccc1)c1cnccn1	161244019	FBNIHAQFNRZTOU-FXAWDEMLSA-N	317.436	4.154	70	20	DIID	
C[C@@H](Cc1nnc(SCc2nccs2)o1)c1ccccc1	161251084	FRRHYMJIIFXUOT-NSHDSACASA-N	317.439	4.165	70	20	DIID	
Cc1cccc([C@H]2CCCN2C(=O)CCCSC(C)(C)C)n1	160107147	FKXHKKFLEOZPLA-MRXNPFEDSA-N	320.502	4.365	70	20	DIID	
C[C@H](CC(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1)c1ccncc1	160719720	OPFJJHAWYMONNQ-AHRSYUTCSA-N	322.452	4.103	70	20	DIID	
CC1(C)CCCC[C@@H]1CC(=O)NC1CCN(C2CCCC2)CC1	160953360	UPEMMOZLNJZEFH-MRXNPFEDSA-N	320.521	4.116	70	20	DIID	
Fc1ccc(CNc2cccc(-c3nnco3)c2)c(Cl)c1	159620257	VXAJKXLZMAYPEC-UHFFFAOYSA-N	303.724	4.141	70	20	DIID	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)NCCc1cccc(Cl)c1	159698971	YNVSZYXIPULDDY-GJZGRUSLSA-N	319.857	4.172	70	20	DIID	
COc1cc(NCc2cc(Cl)cc3c2OCC3)ccc1F	160250436	RYFBGMTVLJSIDT-UHFFFAOYSA-N	307.752	4.035	70	20	DIID	
Cc1cccc([C@@H](C)C(=O)N[C@@H]2CCOC3(CCCCC3)C2)c1	160830588	MTTAZDISRJEPIY-SJLPKXTDSA-N	315.457	4.097	70	20	DIID	
CC[C@H](N[C@H](C)C(=O)Nc1ccccc1)c1ccc(F)cc1F	160908418	BYESHYHVJVQEDY-PXAZEXFGSA-N	318.367	4.033	70	20	DIID	
C[C@H]1CCN(C(=O)Nc2ccc(F)cc2C(F)(F)F)C[C@@H]1C	161131557	XBEFCDJKHMAPES-UWVGGRQHSA-N	318.314	4.354	70	20	DIID	
C[C@H](CC(=O)N1c2ccccc2SC[C@H]1C)c1ccncc1	161299186	BHCWOKQUPKCXCS-ZIAGYGMSSA-N	312.438	4.103	70	20	DIID	
CCOc1ccccc1N(C)C(=O)c1cc(F)cc2cccnc12	161332836	SOPDOLWREFZYPW-UHFFFAOYSA-N	324.355	4.049	70	20	DIID	
C[C@H]1CCCN1C(=O)Nc1ccc(Br)c(Cl)c1	161377018	ZLWCEZJGKAMUEU-QMMMGPOBSA-N	317.614	4.119	70	20	DIID	
COCc1ccc([C@H]2CCCN2C(=O)c2cc(C)c(C)s2)o1	161425110	PWCRQTLGLPUQNG-CQSZACIVSA-N	319.426	4.082	70	20	DIID	
CCCCC(=O)Nc1ccc(-c2nc3ccccc3s2)cn1	216712397	FOUHIURXCUYVAL-UHFFFAOYSA-N	311.410	4.487	70	20	DIID	
CC[C@H](NCc1ccc(OC(C)C)nc1)c1ccc(OC)cc1	160063555	ISZNSVUBSGCNQT-SFHVURJKSA-N	314.429	4.118	70	20	DIID	
CCC[C@H](C)[C@@H]1CCCN1C(=O)c1csc([C@@H]2CCCO2)n1	160083120	UGSKMRLNHYEBAV-QEJZJMRPSA-N	322.474	4.035	70	20	DIID	
C[C@@H](C(=O)O[C@@H](c1ccccn1)C(F)(F)F)c1cccs1	160092142	QFRIVWALVGWJKC-SKDRFNHKSA-N	315.316	4.093	70	20	DIID	
C[C@H](CC(=O)N[C@@H](c1ccccc1)C1CCC1)c1ccncc1	160444763	ISPSBKRCXSKXIW-QRWLVFNGSA-N	308.425	4.233	70	20	DIID	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)N(Cc1ccccc1)C1CC1	160446746	JRQAKEXZMQKTCB-IAGOWNOFSA-N	311.450	4.351	70	20	DIID	
O=C(c1nc2ccccc2s1)N(Cc1cccs1)C1CC1	161407671	QHBBQHMPDFDKER-UHFFFAOYSA-N	314.435	4.163	70	20	DIID	
CC(C)n1cc([C@H](C)N[C@H]2CCSc3ccc(F)cc32)cn1	159451683	JIHGEECVIRGEMA-LRDDRELGSA-N	319.449	4.491	70	20	DIID	
C[C@@H]1C[C@H](NCC2(Sc3ccccc3)CCCC2)CCN1C	160348711	WJHPOANLGPQFDH-IAGOWNOFSA-N	318.530	4.164	70	20	DIID	
COc1ccccc1-c1cccc(NC(=O)NC2CC=CC2)c1	160508176	RURGVOCKBNAAKM-UHFFFAOYSA-N	308.381	4.202	70	20	DIID	
Cc1ccc([C@H](C)NCc2ccc(N3CCC(C)CC3)nc2)cc1	160509661	HNSNCDYYVORSCB-SFHVURJKSA-N	323.484	4.477	70	20	DIID	
O=C(Nc1cccc2ccccc12)c1csc([C@@H]2CCCO2)n1	160599696	RUIKNSOJDIMBMI-INIZCTEOSA-N	324.405	4.400	70	20	DIID	
COc1ccc(NC(=O)c2ccc(F)c(SC)c2)c(C)c1	160624347	HREWOHHACABQKM-UHFFFAOYSA-N	305.374	4.117	70	20	DIID	
Cc1nc(-c2cccc(NC(=O)C(C)(C)C3CCCC3)c2)no1	161171813	QULOOHCYPWEPAC-UHFFFAOYSA-N	313.401	4.200	70	20	DIID	
CC[C@H](NC(=O)Nc1c(C)cccc1C(C)C)[C@@H]1CCCO1	159421345	NPPDGZHBMSBEAU-HOTGVXAUSA-N	304.434	4.198	70	20	DIID	
CCCCCCC(=O)O[C@@H](c1c(C)nn(C)c1C)C(F)(F)F	159997599	KOZFYUPNAGEHME-AWEZNQCLSA-N	320.355	4.154	70	20	DIID	
COC[C@H]1CCCN(C(=O)C[C@@H](C)c2ccc(C(C)C)cc2)C1	160207030	XULDQKBUJKHHCJ-SJORKVTESA-N	317.473	4.189	70	20	DIID	
C[C@@H](CC(=O)N1CCC[C@@](C)(c2ccccc2)C1)c1ccncc1	160380279	PHGLKYYDBLIJPG-LAUBAEHRSA-N	322.452	4.156	70	20	DIID	
C[C@@H](CC(=O)NCCCCCc1ccccc1)c1ccncc1	160388316	SZWCILATDRFFPL-KRWDZBQOSA-N	310.441	4.104	70	20	DIID	
C[C@H](NCC1(Sc2ccccc2)CC1)c1cncc(F)c1	160498810	SKGFELONRUFXBR-ZDUSSCGKSA-N	302.418	4.196	70	20	DIID	
CC(C)C[C@@H](C)Oc1cc(CN[C@@H](C)c2cncs2)ccn1	160812478	DTPVYPJYNVJYOW-KGLIPLIRSA-N	319.474	4.202	70	20	DIID	
CCC(=O)c1cccc(NC(=O)C[C@@H](C)c2c(C)noc2C)c1	160892113	GDXJNITXMHFBGJ-LLVKDONJSA-N	314.385	4.016	70	20	DIID	
COc1cccc(C(=O)N2C[C@H](C)CSc3ccccc32)c1	159483492	MBCDDDQVNZQZFR-ZDUSSCGKSA-N	313.422	4.084	70	20	DIID	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1ccc(-c2cc[nH]n2)cc1	160994036	OQYSOTKUNXTACJ-CABCVRRESA-N	323.421	4.189	70	20	DIID	
COC(=O)[C@@H](Sc1ccc2ccccc2n1)c1ccccc1	218638652	GGTOQJZJRPWDFS-KRWDZBQOSA-N	309.390	4.241	70	20	DIID	
C[C@H](CC(=O)O[C@H](c1ccccn1)C(F)(F)F)c1ccccc1	159865241	QCYWQQWFMKNZAQ-MLGOLLRUSA-N	323.314	4.422	70	20	DIID	
C[C@@H](C(=O)N[C@H]1CCCc2sccc21)c1ccccc1F	160034555	FYJPQGGENHJLSB-ABAIWWIYSA-N	303.402	4.185	70	20	DIID	
Cc1cccc([C@@H]2CCCN2C(=O)CCCSC(C)(C)C)n1	160107003	FKXHKKFLEOZPLA-INIZCTEOSA-N	320.502	4.365	70	20	DIID	
FC(F)(F)c1ccc(N[C@@H]2CCO[C@H](c3ccccc3)C2)nc1	160550631	REHWZYOFTNWOPV-CABCVRRESA-N	322.330	4.433	70	20	DIID	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)N(C)Cc1ccc(F)c(F)c1	160793201	QOPRCLIPMVEKDX-CHWSQXEVSA-N	321.392	4.097	70	20	DIID	
CC(C)[C@H](C(=O)N(C)Cc1cccn1C)c1cccc(Cl)c1	161010895	KPZPJFKNAQCPIW-KRWDZBQOSA-N	318.848	4.077	70	20	DIID	
CCOc1ccccc1NCc1noc(C2CCCCC2)n1	161082333	RMPGFJHZJBQLNW-UHFFFAOYSA-N	301.390	4.128	70	20	DIID	
CCC(=O)Nc1cccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2CC)c1	161290874	SLJJEDMNEKAXHU-WMLDXEAASA-N	316.445	4.076	70	20	DIID	
COc1ccc([C@@H](NC(=O)Nc2ccccc2)C(F)(F)F)cc1	161504025	GFJBZDUZCBWKMS-CQSZACIVSA-N	324.302	4.120	70	20	DIID	
CO[C@H](CNC(=O)NC1CCCCCC1)c1ccccc1Cl	218358061	XPIYBYOBOQSTBN-MRXNPFEDSA-N	324.852	4.050	70	20	DIID	
Cc1csc(N(CC(F)(F)F)C(=O)C[C@@H]2CC[C@H](C)C2)n1	160514647	YUQIQNGFUWWHJB-GXSJLCMTSA-N	320.380	4.173	70	20	DIID	
CC(=O)c1ccc(C(=O)N2CCC(C)(c3ccccc3)CC2)cc1	161126212	SNACCJFYDZDOCL-UHFFFAOYSA-N	321.420	4.083	70	20	DIID	
Cc1ccc(C)n1-c1sccc1C(=O)N(C)C1CCCC1	216847090	UTJWEDADKMCVRL-UHFFFAOYSA-N	302.443	4.170	70	20	DIID	
CC(C)c1cc(C(=O)N2CCCC[C@@H]2C)nn1-c1ccccc1	159628083	WFXXWUYZWACNRD-HNNXBMFYSA-N	311.429	4.010	70	20	DIID	
CCCC(=O)Nc1cccc(CN[C@@H](C)c2ccc(CC)o2)c1	159943826	YLMSDLACJQQXCZ-AWEZNQCLSA-N	314.429	4.431	70	20	DIID	
CC[C@@H](NC(=O)C[C@H](C)c1ccccc1F)c1c(C)noc1C	160078834	DTDLRWHDHXWRJT-MEDUHNTESA-N	318.392	4.192	70	20	DIID	
Cc1cccc(NC(=O)NCCC[C@H]2CCCC[C@@H]2O)c1Cl	160271247	UGTRKDYDMWTKTC-HIFRSBDPSA-N	324.852	4.101	70	20	DIID	
Cc1csc(-c2cccc(C(=O)N3[C@@H](C)CC[C@@H]3C)c2)n1	161506971	YWHBPZSRNVODNG-STQMWFEESA-N	300.427	4.132	70	20	DIID	
CCCOc1ccc([C@H](C)N[C@H](C)c2ccco2)cc1OC	160005895	IGWMNYHICGKAIL-UONOGXRCSA-N	303.402	4.489	70	20	DIID	
CC[C@H](N[C@@H](CCO)CSC)c1ccc(Cl)c(Cl)c1	160212511	GLRLCCHQWBNBOA-FZMZJTMJSA-N	322.301	4.148	70	20	DIID	
C[C@H](NC[C@@H](Cc1ccccc1)c1ccccc1)[C@@H]1CCOC1	161240933	OEXXKEMJKILGDF-IOMROCGXSA-N	309.453	4.028	70	20	DIID	
CS[C@@H]1CCC[C@H](NCc2cccc3c2OC(C)(C)C3)C1	217812047	NUPODOGEQDKSGF-JKSUJKDBSA-N	305.487	4.164	70	20	DIID	
Cc1cc(C)c(Br)c(C(=O)Nc2cnccc2C)c1	159806097	CZGCOIQNEGEDOO-UHFFFAOYSA-N	319.202	4.022	70	20	DIID	
CCOCc1ccc(NC(=O)N2C[C@@H](C)[C@H]2c2ccccc2)cc1	161471012	LDRKKYQKCJPSCW-BEFAXECRSA-N	324.424	4.448	70	20	DIID	
Cc1ccccc1CCNC(=O)Nc1cccc(C(F)(F)F)c1	217315611	RHEMWZFEBOWZMA-UHFFFAOYSA-N	322.330	4.378	70	20	DIID	
Cc1noc2nc(C(C)C)cc(C(=O)OC3CCCCC3)c12	217929057	LXCHUBDORCKKFA-UHFFFAOYSA-N	302.374	4.144	70	20	DIID	
C[C@H](C1CC1)N(C)C(=O)Nc1ccc(COC2CCCC2)cc1	160534592	WVPWNDJUTACLQO-CQSZACIVSA-N	316.445	4.408	70	20	DIID	
O=C(CCCn1cccc1)N1CCC[C@H](c2ccccc2)CC1	159368995	BVGMHJMQQFSYAJ-IBGZPJMESA-N	310.441	4.065	70	20	DIID	
Cc1cccc([C@H]2CCCN2Cc2cccc3cccnc23)n1	159737819	PEKDVQMGZWIIOY-LJQANCHMSA-N	303.409	4.275	70	20	DIID	
O=C(NCc1nc(C2CC2)cs1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	159767273	JGNLBGJUFVVOAA-BPLDGKMQSA-N	318.486	4.243	70	20	DIID	
CCC[C@@H](C(=O)N(C)c1ccc(-c2ccccc2)nn1)C(C)C	160618937	BXGHRCUKICQSOM-MRXNPFEDSA-N	311.429	4.179	70	20	DIID	
CN(CCC(F)(F)F)C(=O)c1occc1-c1ccc(F)cc1	160897737	JDVCLMARBJLIPB-UHFFFAOYSA-N	315.266	4.110	70	20	DIID	
CCS[C@H](C)c1noc(CSCc2ccc(F)cc2)n1	160976769	XSBYAVDUJZHMEY-SNVBAGLBSA-N	312.435	4.456	70	20	DIID	
Cc1ocnc1C(=O)O[C@@H](C)c1ccc(F)c(C(F)(F)F)c1	159390822	AHESBCTWLFCNIH-ZETCQYMHSA-N	317.238	4.059	70	20	DIID	
CC1(C(=O)Nc2nc3c(C(F)(F)F)cccc3s2)CC1	159545445	QKEDXNKSVDBWAJ-UHFFFAOYSA-N	300.305	4.054	70	20	DIID	
Cc1cc(-c2noc([C@@H](C)Sc3ccncc3)n2)ccc1F	159898695	WAXSSBZAUUWZIF-LLVKDONJSA-N	315.373	4.432	70	20	DIID	
Clc1ccc2cccnc2c1Cn1nc(C2CC2)nc1C1CC1	161462864	QKHSZHFZUMUMKO-UHFFFAOYSA-N	324.815	4.283	70	20	DIID	
CN(CCC1CC1)C(=O)Nc1ccccc1CC(F)(F)F	159362855	SHHVOHBGZKTGGI-UHFFFAOYSA-N	300.324	4.055	70	20	DIID	
CCS[C@@H]1CCC[C@H](N[C@@H]2CCCc3nc(C)sc32)C1	159430968	FHZGJYPCYXGFGY-GZBFAFLISA-N	310.532	4.483	70	20	DIID	
C[C@@H]1CSc2ccccc2N(C(=O)CC2CCSCC2)C1	159653675	YYENREOXOHWPBP-ZDUSSCGKSA-N	321.511	4.295	70	20	DIID	
Fc1ccccc1-c1cnc(CN2CC[C@@H]3CCCC[C@@H]32)o1	159971260	NXGNOOLCXVPSFY-BBRMVZONSA-N	300.377	4.245	70	20	DIID	
CCCC[C@@H](CC)CC(=O)Nc1ccc(C(=O)NC)cc1Cl	160200047	SAMCRAJMEWRPGZ-GFCCVEGCSA-N	324.852	4.245	70	20	DIID	
COc1ccc([C@H](C)N[C@H](CCO)c2ccccc2)cc1Cl	160990381	SUXIXHPSVWJZLX-SUMWQHHRSA-N	319.832	4.123	70	20	DIID	
C[C@H]1CC[C@@H](C)N1C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1	161440679	VHKISQHZHICOMC-BETUJISGSA-N	318.417	4.047	70	20	DIID	
CC[C@](C)(NC(=O)c1ccc(Cl)cc1C)c1nc(C)cs1	159558985	WJOFKXAVSUGFFC-INIZCTEOSA-N	322.861	4.469	70	20	DIID	
O=C(Nc1ccc2[nH]ccc2c1)[C@@H]1C[C@H]1c1cccc(F)c1F	159707792	UFZHQLKXPAKNKV-UONOGXRCSA-N	312.319	4.188	70	20	DIID	
Cc1noc(C)c1CCSCc1cc(-c2cccs2)on1	160098485	FNZRQUQCSJYENR-UHFFFAOYSA-N	320.439	4.484	70	20	DIID	
CC(C)=C[C@@H]1[C@H](C(=O)N[C@@H]2CCOC3(CCCCC3)C2)C1(C)C	160583776	SVEODKWXOVPQRB-BRWVUGGUSA-N	319.489	4.223	70	20	DIID	
Cc1ccc(C)c([C@@H]2CCCN2C(=O)CC2(O)CCCCC2)c1	160613834	KYKGQUVCIMPQKE-SFHVURJKSA-N	315.457	4.052	70	20	DIID	
CC(=O)Nc1cc(NCc2cc(F)cc(Cl)c2)ccc1C	160876784	ROANKYIILPXYRC-UHFFFAOYSA-N	306.768	4.358	70	20	DIID	
CCC(CC)(CN)C(=O)Nc1ccc(Nc2ccccc2)cc1	161164048	CGPZKQULBBNUKQ-UHFFFAOYSA-N	311.429	4.134	70	20	DIID	
Cc1c(Cl)cccc1NC(=O)NCCc1cccc(F)c1	217434272	AOWOGZYKJRCCRU-UHFFFAOYSA-N	306.768	4.152	70	20	DIID	
CO[C@H](CNC(=O)c1cccc(Cl)c1)c1ccccc1Cl	218313441	IBWMCAYNKHRVGN-OAHLLOKOSA-N	324.207	4.111	70	20	DIID	
Cc1cccc([C@H]2CCCN2CCCOCCc2ccccc2)n1	159855300	FFTVLRWYXGXYHO-OAQYLSRUSA-N	324.468	4.176	70	20	DIID	
C[C@H](CC1CCCCC1)C(=O)N[C@@H]1CCOC2(CCCC2)C1	160135126	FYYDIIKZDNUIBA-NVXWUHKLSA-N	307.478	4.201	70	20	DIID	
Fc1cc(Cl)cc(CNc2cccc(-c3nnco3)c2)c1	160823893	FXEZBSKDHIVFSD-UHFFFAOYSA-N	303.724	4.141	70	20	DIID	
C[C@H]1Cc2ccc(F)cc2[C@H]1N[C@@H](CCCO)c1ccccc1	160922701	CBADYYVVGPQYMB-GKCIPKSASA-N	313.416	4.162	70	20	DIID	
CCCOc1cccc(CC(=O)Nc2ccccc2OCC)c1	161066801	LMZVAGMJNRIHHP-UHFFFAOYSA-N	313.397	4.055	70	20	DIID	
Cc1ccc(-c2cnc(Cn3nc(C4CC4)nc3C3CC3)o2)cc1	161459996	VHAGQWQLHDENCW-UHFFFAOYSA-N	320.396	4.045	70	20	DIID	
CCOc1ccc(CNC(=O)NC(C)(C)CC(C)(C)C)cc1	217300911	NVEOWYSKRDTLPQ-UHFFFAOYSA-N	306.450	4.099	70	20	DIID	
Cc1ccc(NC(=O)N[C@H](C[C@H]2CCOC2)c2ccccc2)cc1	159771272	DUXCTLWXGKHCKK-VQIMIIECSA-N	324.424	4.284	70	20	DIID	
CCCCn1ncc(NC(=O)N2CCC[C@H](C)[C@@H]2CCC)c1C	159778831	QNBZINPBXHKHPM-YOEHRIQHSA-N	320.481	4.424	70	20	DIID	
CCc1nc(CN[C@@H](C)c2ccccc2Oc2ccccc2)n[nH]1	160402522	JCQYJPRTABTQEI-AWEZNQCLSA-N	322.412	4.010	70	20	DIID	
C[C@@H](NC(=O)Nc1ccc2[nH]ccc2c1)c1cccc(F)c1F	160774937	LADVPAGEZMGVRS-SNVBAGLBSA-N	315.323	4.329	70	20	DIID	
C[C@H](c1nc(COc2ccccc2)no1)c1c(F)cccc1F	160801457	VZKWSACEQXCQLR-NSHDSACASA-N	316.307	4.079	70	20	DIID	
C[C@@H](CC(=O)Nc1cccc(CC(F)(F)F)c1)c1ccncc1	160894241	FXVXNOGZHYSPAG-LBPRGKRZSA-N	322.330	4.319	70	20	DIID	
CCC(CC)n1nccc1C(=O)Nc1cc(Cl)ccc1OC	161042109	NLBXTYMFQANVCX-UHFFFAOYSA-N	321.808	4.159	70	20	DIID	
COCc1ccc([C@H]2CCCN2C(=O)[C@H](C)CC2CCCC2)o1	161304030	HZQABEDBFUMKCK-RHSMWYFYSA-N	319.445	4.306	70	20	DIID	
O=C(Nc1cccc(OCc2nccs2)c1)c1cccs1	161373393	SITVTMUGGFGTLZ-UHFFFAOYSA-N	316.407	4.036	70	20	DIID	
Cc1cccc(CCNC(=O)Nc2c(F)cccc2Cl)c1	217313363	SPXXEBLYQAPWCV-UHFFFAOYSA-N	306.768	4.152	70	20	DIID	
CCC(CC)n1ncc(C(=O)N2C[C@@H](C)c3ccccc32)c1C	159448191	HQRDYDCCFYRGGA-CYBMUJFWSA-N	311.429	4.317	70	20	DIID	
Cc1ccc(CN(C(=O)C[C@H](C)c2ccncc2)C(C)C)s1	160229001	ZFSDCXARVDOAKF-AWEZNQCLSA-N	316.470	4.382	70	20	DIID	
COc1c(Cl)cccc1NC(=O)[C@H](c1ccccc1)C1CC1	160828609	DYHVRRBBYXFDLT-MRXNPFEDSA-N	315.800	4.481	70	20	DIID	
CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)C[C@H](C)c1ccncc1	160875076	BCICWQFGRYJTAF-FXAWDEMLSA-N	324.468	4.363	70	20	DIID	
C[C@H](CC(=O)N(C)[C@H](C)c1cc(F)ccc1F)c1ccncc1	159522706	CEZAAWVFOWEOGD-CHWSQXEVSA-N	318.367	4.073	70	20	DIID	
O=C(C1=CCCC1)N1CCc2sccc2[C@H]1c1cccs1	159714092	MUHRIWOUXGYJNZ-INIZCTEOSA-N	315.463	4.394	70	20	DIID	
Fc1cc(Cl)cc(CNCc2cccc3cccnc23)c1	160968460	ONQONMDXAVMYGX-UHFFFAOYSA-N	300.764	4.317	70	20	DIID	
CCC[C@@H](C)CC(=O)O[C@H](c1c(C)nn(C)c1C)C(F)(F)F	159901626	QWDHQBPZPVCEFM-YMTOWFKASA-N	320.355	4.010	70	20	DIID	
CCOc1ccc(Cl)cc1CCN[C@H](C)c1cccnc1	160006637	NJVHFRKUHXWKHJ-CYBMUJFWSA-N	304.821	4.027	70	20	DIID	
COc1ccc(C(C)(C)C(=O)Nc2cccc3ncccc23)cc1	160735273	BCASZKDJVUQSDO-UHFFFAOYSA-N	320.392	4.160	70	20	DIID	
C[C@H](NC[C@@H](Cc1ccccc1)c1ccccc1)C1CCOCC1	161258194	HYHFCNGYHAZKBB-PGRDOPGGSA-N	323.480	4.418	70	20	DIID	
Cc1ccc(NC(=O)c2cncc(-c3cccc(C)c3)c2)nc1	159525578	QAPVGHZMHNGWGA-UHFFFAOYSA-N	303.365	4.013	70	20	DIID	
CCc1ccc([C@H](C)Nc2nnc(C(F)(F)F)s2)cc1	160151906	FAFFWPOCVRYMAF-QMMMGPOBSA-N	301.337	4.292	70	20	DIID	
CS[C@H](C)CC(=O)Nc1ccccc1COc1ccccc1	160694696	CDOGGBABNPZPKN-CQSZACIVSA-N	315.438	4.346	70	20	DIID	
CC(C)c1ccc(-c2ncc(CSCCC(N)=O)s2)cc1	160974449	WPKDUKYZZVECEA-UHFFFAOYSA-N	320.483	4.042	70	20	DIID	
COc1ccc(CN[C@@H]2CCC[C@@H](C)[C@@H]2C)c(Cl)c1OC	216867075	HCHSIOYYNPKYKJ-MBNYWOFBSA-N	311.853	4.272	70	20	DIID	
COc1ccccc1C(=O)Nc1ccccc1-c1csc(C)n1	218577646	QNOCEJSYASVERT-UHFFFAOYSA-N	324.405	4.379	70	20	DIID	
C[C@H](C(=O)Nc1cc(F)ccc1OC(F)F)c1cccs1	159468833	JHUQXHYAVYXESN-QMMMGPOBSA-N	315.316	4.231	70	20	DIID	
COc1cccc(CCCN2CCC(OC3CCCC3)CC2)c1	159976422	NUGNYJMZALODMU-UHFFFAOYSA-N	317.473	4.051	70	20	DIID	
CCC[C@H](C(=O)N[C@@H](CC)c1c(C)noc1C)c1ccccc1	160332728	PSLXTSBHZKHDPK-IRXDYDNUSA-N	314.429	4.443	70	20	DIID	
Cc1ccc(OC(F)F)c([C@H](C)NCc2ccc(C)nc2)c1	161267258	XUVUNCUPWUKCAB-ZDUSSCGKSA-N	306.356	4.151	70	20	DIID	
CC(C)N(C)C(=O)c1cc(-c2ccccc2)cc(Cl)c1O	161430112	HCSVEQSCLCRVEO-UHFFFAOYSA-N	303.789	4.193	70	20	DIID	
CC(C)c1ccc(C(=O)N[C@@H]2CCOC3(CCCC3)C2)cc1	159675605	NLINEUAVRVFVFW-QGZVFWFLSA-N	301.430	4.032	70	20	DIID	
Cc1ccc(Cl)c(OC(=O)c2csc([C@H]3CCCO3)n2)c1	160451081	NWXLHIBXLXMHBF-GFCCVEGCSA-N	323.801	4.176	70	20	DIID	
C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@@H]1CCCCO1	160904810	OESADZVJGJSYPW-HZMBPMFUSA-N	316.228	4.082	70	20	DIID	
CCOc1cc(C)ccc1NCc1noc(C2CCCCC2)n1	161276155	QYWWJQBXYWGYQS-UHFFFAOYSA-N	315.417	4.437	70	20	DIID	
Cc1ncc([C@@H](C)N[C@@H]2CCSc3ccc(F)cc32)c(C)n1	159431969	LRRZQBRLMYWCSL-BDJLRTHQSA-N	317.433	4.120	70	20	DIID	
COC[C@@H]1CCCN(C(=O)C[C@H](C)c2ccc(C(C)C)cc2)C1	160207120	XULDQKBUJKHHCJ-DLBZAZTESA-N	317.473	4.189	70	20	DIID	
CCS[C@@H](C)c1noc(CSCCOc2ccccc2)n1	161028830	KFZGVJUZZAGTCQ-LBPRGKRZSA-N	324.471	4.196	70	20	DIID	
CCc1cccc(NC(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)c1	161048898	GMNYUXSUCDWCOJ-RBUKOAKNSA-N	324.424	4.291	70	20	DIID	
O=C(OCc1cc2ccccc2o1)[C@H]1CSc2ccccc21	217232969	WYDCVPDRNUBCRZ-HNNXBMFYSA-N	310.374	4.366	70	20	DIID	
CC(C)Oc1ccc(CN[C@H](C)c2cc(F)c(F)c(F)c2)cn1	160066815	NZSBPYQHBSSNJX-LLVKDONJSA-N	324.346	4.137	70	20	DIID	
Cc1cc(Cl)ccc1C(=O)Nc1cc2c(cc1Cl)OCO2	160301167	SOQYSZJMSPBQPB-UHFFFAOYSA-N	324.163	4.283	70	20	DIID	
CC(C)c1ccc(C(=O)O[C@@H](c2ccccn2)C(F)(F)F)cn1	160539089	CZARVRUDJQBDBL-AWEZNQCLSA-N	324.302	4.060	70	20	DIID	
O=C(c1ccc(F)cc1C(F)(F)F)N1CCC[C@@H]2CCC[C@H]21	160982703	NYZXRTYEZVEWDP-IINYFYTJSA-N	315.310	4.249	70	20	DIID	
COc1ccc(C)cc1NCc1noc(C2CCCCC2)n1	161068769	RCJBSUZZCRUNQR-UHFFFAOYSA-N	301.390	4.046	70	20	DIID	
O=C(c1ccc(F)cc1)c1ccc(OCc2nccs2)cc1	161119727	QBFWLTJBVNYCOU-UHFFFAOYSA-N	313.353	4.092	70	20	DIID	
CCC(CC)n1nccc1C(=O)Nc1ccc(SC)cc1	161153937	OCUCNCGNQLZMHU-UHFFFAOYSA-N	303.431	4.218	70	20	DIID	
COc1ccc(Cl)cc1NC(=O)N(CC(C)C)CC(C)C	217283222	WQSKYGCZOIKXPY-UHFFFAOYSA-N	312.841	4.495	70	20	DIID	
CCCc1nc(CN2CCC[C@@H]2c2cccc(C)n2)cs1	160004545	NXCYRXBYWAGBHS-MRXNPFEDSA-N	301.459	4.136	70	20	DIID	
C[C@H](C(=O)O[C@H](c1ccccn1)C(F)(F)F)c1cccs1	160092283	QFRIVWALVGWJKC-JOYOIKCWSA-N	315.316	4.093	70	20	DIID	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)N(Cc1ccccc1)C1CC1	160446606	JRQAKEXZMQKTCB-IRXDYDNUSA-N	311.450	4.351	70	20	DIID	
C[C@H]1CN(C(=O)Nc2cc(F)c(F)c(F)c2)[C@H]1c1ccccc1	160915092	CQECEPHYLJNVER-MGPLVRAMSA-N	320.314	4.329	70	20	DIID	
Cc1cccc(CC(=O)NCCc2csc3ccccc23)c1	216640616	CHTVMFUJVBFFOZ-UHFFFAOYSA-N	309.434	4.111	70	20	DIID	
CC(C)CC[C@@H](NC(=O)c1cc2c(s1)CCOC2)C(C)(C)C	217209413	WLNHXZNMXFOLLI-MRXNPFEDSA-N	323.502	4.402	70	20	DIID	
CCc1ccc(NC(=O)NCCCOc2ccccc2C)cc1	217300374	SQVXTCBINAZUIJ-UHFFFAOYSA-N	312.413	4.148	70	20	DIID	
CSc1ccccc1NC(=O)CCN1CC[C@@H]2CCCC[C@@H]21	159590561	ZEKAOYMUAKVMIL-HOCLYGCPSA-N	318.486	4.002	70	20	DIID	
C[C@@H]1CC[C@@H](NCc2ccc(CN(C)C)cc2)c2ccccc21	160882238	JIEZIVQQPLOHNK-IIBYNOLFSA-N	308.469	4.476	70	20	DIID	
C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)C[C@@H]1CCCN1	161038445	QXXRZLVJFWSYBT-JXFKEZNVSA-N	322.452	4.015	70	20	DIID	
O=C(CCCC1CCCC1)N[C@@H]1CCOC2(CCCCC2)C1	161054599	SJAIJHZNOOXNJA-QGZVFWFLSA-N	307.478	4.345	70	20	DIID	
CS[C@@H](C)C(=O)Nc1ccccc1Oc1cc(F)cc(F)c1	161432959	FLHRJZBLVFCMTG-JTQLQIEISA-N	323.364	4.447	70	20	DIID	
Clc1ccc(CCCn2nc(C3CC3)nc2C2CC2)cc1	161462993	YLXBJQJPFDQCPG-UHFFFAOYSA-N	301.821	4.319	70	20	DIID	
CC[C@H](CNC(=O)[C@@H]1CSc2ccccc21)c1ccccc1	217232960	AHAGBXDLEGXCGM-RHSMWYFYSA-N	311.450	4.186	70	20	DIID	
CSc1ccsc1C(=O)N[C@H]1CCCc2sccc21	160150012	XMYZTNMYSRYESO-JTQLQIEISA-N	309.481	4.339	70	20	DIID	
CC1(C)C[C@H](NCc2cc(C(F)(F)F)ccc2Cl)CCO1	160550602	ZQDYSPATAJPKJI-GFCCVEGCSA-N	321.770	4.406	70	20	DIID	
C[C@@H](c1cccs1)N(C)C(=O)c1cc(F)cc2cccnc12	160867545	FBBBUVUMQVLDCB-NSHDSACASA-N	314.385	4.269	70	20	DIID	
O=C(NCC1CCCC1)NC(c1ccccc1)c1ccccc1	217564868	PJRNKXVANALPER-UHFFFAOYSA-N	308.425	4.265	70	20	DIID	
CC(C)(C)c1nsc(N[C@@H]2CCO[C@@H](c3ccccc3)C2)n1	160357762	UFPCKJDKNAOTBZ-ZIAGYGMSSA-N	317.458	4.168	70	20	DIID	
CC(C)[C@H](CNC(=O)C1CCC(C)(C)CC1)c1cccnc1	161061973	ZVSPHNDOBSSRJG-KRWDZBQOSA-N	302.462	4.154	70	20	DIID	
C[C@H]1CC[C@H](C)N1C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1	161440802	VHKISQHZHICOMC-STQMWFEESA-N	318.417	4.047	70	20	DIID	
Cc1ccccc1OCCCn1nc(C)c(Br)c1C	217093493	KJBXOKHMSDNHRO-UHFFFAOYSA-N	323.234	4.040	70	20	DIID	
CC(C)(C)c1ccc(NC(=O)NCCc2ccc(F)cc2)cc1	217301329	PETODWWSMFKSOU-UHFFFAOYSA-N	314.404	4.487	70	20	DIID	
Cc1cccc(N[C@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)c1	218728030	PKUZAXXEEIISPV-HUUCEWRRSA-N	322.408	4.419	70	20	DIID	
Cc1csc(-c2cccc(N[C@H](C)CCn3cccn3)c2)n1	159439157	KKURLWWZGWWZAY-CYBMUJFWSA-N	312.442	4.206	70	20	DIID	
Cc1cccc(-c2cncc(C(=O)Nc3ncccc3C)c2)c1	159529588	RFMFTPXFGUSLKJ-UHFFFAOYSA-N	303.365	4.013	70	20	DIID	
C[C@@H](Sc1ccncc1)c1nc(Cc2ccc(F)cc2)no1	160039214	YHWQLGSYSMJNKH-LLVKDONJSA-N	315.373	4.048	70	20	DIID	
CC(=O)Nc1ccc(Cl)c(NC(=O)C(C)(C)C2CCCC2)c1	160800905	UZAZCBUKZXIFPH-UHFFFAOYSA-N	322.836	4.453	70	20	DIID	
C[C@H](NC[C@@H](c1ccco1)N1CCCC1)c1ccccc1Cl	216631978	IHTKZQDTYLINED-YOEHRIQHSA-N	318.848	4.421	70	20	DIID	
C[C@H](N[C@@H]1CCCSC1)[C@@H](C)c1nc2ccccc2s1	159584936	KYLATXXCVNAZID-FRRDWIJNSA-N	306.500	4.274	70	20	DIID	
CC[C@H](C)CN(CC)[C@@H](C)c1nc2sc(C)c(C)c2c(=O)[nH]1	160536365	UIMZUAZPPRZSIP-JQWIXIFHSA-N	321.490	4.030	70	20	DIID	
CCc1ccsc1C(=O)O[C@@H](c1ccccn1)C(F)(F)F	160610336	CYSZYEJFYIOGKK-LBPRGKRZSA-N	315.316	4.166	70	20	DIID	
Cc1nc(Cc2ccccc2)sc1C(=O)N1[C@@H](C)CC[C@@H]1C	161475591	LNIXEPDIPUZCDF-STQMWFEESA-N	314.454	4.055	70	20	DIID	
O=C(NCCc1ccc(Cl)cc1)NCc1ccccc1Cl	217308499	YDSYVNMITQDBQR-UHFFFAOYSA-N	323.223	4.035	70	20	DIID	
CC[C@@H](NC(=O)[C@H]1CCCc2sccc21)c1c(C)noc1C	160099364	INXIQYVXOQWJHP-UONOGXRCSA-N	318.442	4.040	70	20	DIID	
Clc1ccc2c(N[C@H]3CCO[C@H](C4CC4)C3)ccnc2c1	160309543	ZOPNZGGRQLQQKR-GUYCJALGSA-N	302.805	4.258	70	20	DIID	
CSc1ccc([C@H](C)NC(=O)c2cccc(C)c2F)cc1	161452411	SXVBCBYJIIWZSQ-LBPRGKRZSA-N	303.402	4.347	70	20	DIID	
c1ccc(CN(Cc2noc3c2CCCC3)CC2CCC2)cc1	217027677	CNRWGIPAUQFGIR-UHFFFAOYSA-N	310.441	4.356	70	20	DIID	
CCc1ccc([C@@H](C)NC(=O)NCCc2ccc(C)cc2)cc1	217307769	YHWZXRYTQZNVID-MRXNPFEDSA-N	310.441	4.160	70	20	DIID	
COc1ccc(N(C)C(=O)C(C)(C)Cc2ccccc2)cc1F	159378726	MDSKHCNJCBMGAI-UHFFFAOYSA-N	315.388	4.066	70	20	DIID	
Cc1nnc([C@H]2Cc3ccccc3CN2CCC2CCCC2)o1	159436571	HJDMATZPZALSLG-GOSISDBHSA-N	311.429	4.058	70	20	DIID	
C[C@H](C(=O)N[C@H]1CCCc2sccc21)c1cccc(F)c1	159848385	DECIYYHDXROMAM-NHYWBVRUSA-N	303.402	4.185	70	20	DIID	
CC(C)COc1ccc([C@@H](C)N[C@@H]2CCOC(C)(C)C2)cc1	159949642	NIEMWEIIJVFSMY-NVXWUHKLSA-N	305.462	4.330	70	20	DIID	
CC1(C)CCCC[C@@H]1CC(=O)Nc1nnc(C(F)F)s1	161158376	OYOLJRFYNFAHLM-MRVPVSSYSA-N	303.378	4.021	70	20	DIID	
Cc1ccc(CCNC(=O)Nc2ccc(C)c(Cl)c2)cc1	217307719	KFMDEKKMKKWSFG-UHFFFAOYSA-N	302.805	4.321	70	20	DIID	
C[C@@H](N[C@@H]1CCSc2ccc(Cl)cc21)C1CCOCC1	159474148	LJRPECGUYFPLSV-IAQYHMDHSA-N	311.878	4.282	70	20	DIID	
Cc1cc(C)c(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)[nH]1	160194405	CDJVCRBUCRIJFF-ZDUSSCGKSA-N	320.845	4.252	70	20	DIID	
CC(C)(C)c1cnc([S@@](=O)Cc2cccc(Cl)c2)s1	160509334	NXBOMCLQRHBOLV-LJQANCHMSA-N	313.875	4.402	70	20	DIID	
Cc1conc1NC(=O)CCCc1ccc(CC(C)C)cc1	160950110	KQIMBFCUAGOVEP-UHFFFAOYSA-N	300.402	4.143	70	20	DIID	
CN(C(=O)COC(c1ccccc1)c1ccccc1)C1CCCC1	216846920	MLBVAVHIEXKKCR-UHFFFAOYSA-N	323.436	4.194	70	20	DIID	
Cc1nc2c(s1)[C@H](N(C)c1nc(C(C)(C)C)ns1)CCC2	159434960	YLJOHFPWEITMDT-LLVKDONJSA-N	322.503	4.114	70	20	DIID	
CC(C)[C@@H](CC1CCCC1)C(=O)N[C@@H]1CCOC2(CCCC2)C1	159636651	WNTAYVGOMYAUPT-QZTJIDSGSA-N	321.505	4.447	70	20	DIID	
CC[C@H](NC(=O)CC(C)(C)c1ccccc1)c1c(C)noc1C	160024238	VJNUIDRNETXHGF-INIZCTEOSA-N	314.429	4.227	70	20	DIID	
CC(C)COc1cccc(NC(=O)C[C@@H](C)c2ccncc2)c1	160138680	VGHZSYCBDXQHDB-OAHLLOKOSA-N	312.413	4.249	70	20	DIID	
Cc1ccccc1C[C@H](C)N[C@@H](C)c1ccc([S@](C)=O)cc1	160765130	YYYNNODXYSUIHS-PONJGIIJSA-N	315.482	4.014	70	20	DIID	
CC(C)(C)C1=CCN(C(=O)c2cc(Cl)nc(Cl)c2)CC1	160967065	IDBQCTJOIOPPAI-UHFFFAOYSA-N	313.228	4.207	70	20	DIID	
CC[C@H](C(=O)N[C@@H](C)CC(=O)c1cccs1)c1ccccc1	161015004	XVRJUBYXCXKVFX-ZFWWWQNUSA-N	315.438	4.019	70	20	DIID	
C[C@H]1CCC[C@@H](C)N1C(=O)CN[C@H](C)c1cccc2ccccc12	216663340	LYTJZXSOYGLTFT-IXDOHACOSA-N	324.468	4.280	70	20	DIID	
CCN(C(=O)CN[C@H](C)c1cc2ccccc2o1)c1ccccc1	216687893	KREZFOFUFVZWOO-OAHLLOKOSA-N	322.408	4.137	70	20	DIID	
CC(C)(C)c1ccccc1C(=O)NCc1nc(C2CC2)cs1	159385643	YHJLBRDPZZXRJK-UHFFFAOYSA-N	314.454	4.248	70	20	DIID	
COc1cc(C)ccc1NC(=O)N[C@@H](C)c1cccc(F)c1F	159983088	WRYGNRTYPHBNNO-NSHDSACASA-N	320.339	4.165	70	20	DIID	
Cc1cccc2[nH]cc(CC(=O)N[C@H]3CCCc4sccc43)c12	160032096	XBFWUYQQTOBXMF-HNNXBMFYSA-N	324.449	4.274	70	20	DIID	
Cc1cc(N[C@@H]2CCO[C@H](C3CC3)C2)c2cc(F)ccc2n1	160302868	FKXOWNVJNKMSLS-KDOFPFPSSA-N	300.377	4.052	70	20	DIID	
CSc1cc(C(=O)N(C)c2cccc(C)c2C)ccc1F	160341492	RZOLLQUKSWLWLW-UHFFFAOYSA-N	303.402	4.441	70	20	DIID	
CC[C@H](O)c1ccc(OCc2noc(C3CCCCC3)n2)cc1	160851361	MVIZNJMSPRTNAT-INIZCTEOSA-N	316.401	4.140	70	20	DIID	
O=C(/C=C/Sc1ccccc1)NC1(c2ccccc2)CCC1	216912072	PPKMUGKSEGPVGG-NTCAYCPXSA-N	309.434	4.488	70	20	DIID	
CCc1cc(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)sc1C	160468418	ZONAOSHDSLTFCP-OAHLLOKOSA-N	321.486	4.231	70	20	DIID	
O=C(Nc1ccccc1N1CCCC1)N1CC[C@@H]2CCCC[C@@H]21	160617745	LJHATMDTHAAYFR-RDJZCZTQSA-N	313.445	4.083	70	20	DIID	
Cc1ccsc1[C@H]1C[C@H]1C(=O)N(Cc1cccs1)C1CC1	160953658	WLYGIGWZRUIWBS-LSDHHAIUSA-N	317.479	4.413	70	20	DIID	
CCc1nc2c(s1)[C@H](N(C)C(=O)c1cc(C)c(C)o1)CCC2	161280649	IQYAKDPJSUBNJH-CYBMUJFWSA-N	318.442	4.065	70	20	DIID	
O=C(NCc1ccc(Cl)cc1)c1snc(Cl)c1Cl	216669101	HPFVUMWLXYEZCF-UHFFFAOYSA-N	321.616	4.033	70	20	DIID	
CCN(C(=O)COc1cccc2ccccc12)c1ccc(F)cc1	216757013	IETNYZVSXWKCCA-UHFFFAOYSA-N	323.367	4.411	70	20	DIID	
CCN(C(=O)C[C@@H](C)c1ccncc1)[C@@H](C)c1ccc(F)cc1	160115208	CNBQVUOGNKWITG-CABCVRRESA-N	314.404	4.324	70	20	DIID	
COc1ccc(NC(=O)N[C@@H](C)c2cccc(F)c2F)c(C)c1	160992235	FAIQJNCPXOLYNQ-NSHDSACASA-N	320.339	4.165	70	20	DIID	
CC(C)c1ccc([C@H]2CCCCN2C(=O)c2csnn2)cc1	160390612	WWLRRHJHGKRHSV-MRXNPFEDSA-N	315.442	4.029	70	20	DIID	
Cc1ccc(C(=O)Nc2ccccc2Nc2ccccc2)n1C	216790332	BDDZMVGCCXUGOP-UHFFFAOYSA-N	305.381	4.329	70	20	DIID	
Brc1ccccc1Cc1nc(-c2cccs2)no1	217083562	CIOKGXOVBJOHHY-UHFFFAOYSA-N	321.199	4.151	70	20	DIID	
CCc1ccccc1NC(=O)NCCCOc1ccccc1C	217300446	WKVGQWMGATYPFW-UHFFFAOYSA-N	312.413	4.148	70	20	DIID	
C[C@@H]1CSc2ccccc2N(C(=O)c2ccc(F)cc2)C1	159665657	KSMBLUVKIGEPHG-LBPRGKRZSA-N	301.386	4.214	70	20	DIID	
C[C@@H](N[C@H]1CCOC(C)(C)C1)c1ccc(OC(F)(F)F)cc1	159931469	QFHBGOWAINXKDV-YPMHNXCESA-N	317.351	4.193	70	20	DIID	
Cc1ccc(CN[C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)s1	160912656	UPAQRWJOIMEKOS-LBPRGKRZSA-N	314.454	4.137	70	20	DIID	
CC1CCC(O)(CN[C@H]2C[C@H](C)Sc3sccc32)CC1	217003871	CEUZYQUHOVAMTM-LZPVFFGRSA-N	311.516	4.204	70	20	DIID	
C[C@H](NCCOCC(F)(F)F)c1ccc(-c2ccccc2)o1	159371095	FNUQANMWUCYFPJ-LBPRGKRZSA-N	313.319	4.176	70	20	DIID	
CC[C@H](NC(=O)[C@@H](CC)c1ccc(F)cc1)c1nc(C)cs1	159822970	RQDCBWNQHMXSEM-GJZGRUSLSA-N	320.433	4.352	70	20	DIID	
CC(C)Oc1ccc(CN[C@@H]2CCc3cc(Cl)ccc32)cn1	160096387	ZJACBUKZMKCEEY-QGZVFWFLSA-N	316.832	4.299	70	20	DIID	
CC[C@H](NC(=O)[C@@H](c1ccccc1)C(C)C)c1c(C)noc1C	160314222	MCSZSLXVUXCNIE-DLBZAZTESA-N	314.429	4.299	70	20	DIID	
Cc1ccc(NC(=O)c2ccnn2C(C)C)cc1C(F)(F)F	160622175	XZFQEMUTVPNHCX-UHFFFAOYSA-N	311.307	4.044	70	20	DIID	
OCCC[C@H](N[C@@H](Cc1ccccc1)C1CC1)c1ccccc1	160687805	ROUBFYCIHCZTBW-SFTDATJTSA-N	309.453	4.111	70	20	DIID	
COc1ccccc1C[C@H](C)NCc1cc(F)cc(Cl)c1	160900108	VRANZSYQCFWMAJ-LBPRGKRZSA-N	307.796	4.209	70	20	DIID	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)N(Cc1cccs1)C1CC1	160953426	WLYGIGWZRUIWBS-GJZGRUSLSA-N	317.479	4.413	70	20	DIID	
CC(C)c1ccc(-c2ncc(CS[C@@H](C)C(N)=O)s2)cc1	160976029	XBZIKUWLMUDFJG-NSHDSACASA-N	320.483	4.041	70	20	DIID	
CSCCc1ccc(NC(=O)N(CC2CC2)CC2CC2)cc1	159367988	LKNABXIJZXSJEL-UHFFFAOYSA-N	318.486	4.246	70	20	DIID	
c1cc(-c2nnc(SCC3CC3)n2C2CCCCC2)ccn1	159372456	IJHHXRNABXBDJN-UHFFFAOYSA-N	314.458	4.347	70	20	DIID	
Cc1ccc(N2CCOC2=O)cc1N[C@@H](C)c1ccccc1C	159733435	XLMDBACZWRMXDI-HNNXBMFYSA-N	310.397	4.433	70	20	DIID	
CC[C@H](NC(=O)c1cccc2ccc(C)nc12)c1c(C)noc1C	160260752	MKNLQRDDJNADOX-INIZCTEOSA-N	323.396	4.029	70	20	DIID	
CC[C@@H](NC(=O)[C@@H](c1ccccc1)C(C)C)c1c(C)noc1C	160314345	MCSZSLXVUXCNIE-IAGOWNOFSA-N	314.429	4.299	70	20	DIID	
O=C(Nc1ccc(Br)cc1)N1CC[C@@H]2CCCC[C@@H]21	160571926	GSKLPAONCXWGAY-FZMZJTMJSA-N	323.234	4.246	70	20	DIID	
CN(C)C1(CNC2CC(c3ccc(Cl)cc3)C2)CCCC1	160680653	KSRCOVCQDQQSDR-UHFFFAOYSA-N	306.881	4.050	70	20	DIID	
CN(C)C1(CNC2CC(c3cccc(Cl)c3)C2)CCCC1	160703441	SKRQXAHKKPYZHD-UHFFFAOYSA-N	306.881	4.050	70	20	DIID	
C[C@@H]1CC[C@@H](C)N1C(=O)c1cc(Br)ccc1Cl	161399505	WGNKQZBOPHBZAL-RKDXNWHRSA-N	316.626	4.116	70	20	DIID	
CC(C)Oc1cncc(C(=O)Nc2cccc(C(F)F)c2)c1	160243587	NEFVGMDAOZFRAZ-UHFFFAOYSA-N	306.312	4.059	70	20	DIID	
Cc1cc(C)cc(NC(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)c1	161010811	IZFAMFPCADBJSG-HKUYNNGSSA-N	324.424	4.345	70	20	DIID	
CCCCN(CCCC)C(=O)NCCc1ccc(Cl)cc1	217308559	WXTUTHQXFGPVBE-UHFFFAOYSA-N	310.869	4.494	70	20	DIID	
Cc1cccc(OC(F)F)c1NC(=O)N(CC1CC1)CC1CC1	159510007	GNYGQDCIHMVQGR-UHFFFAOYSA-N	324.371	4.250	70	20	DIID	
Cc1cccc([C@H]2CCCN2Cc2ccc(F)c3cccnc23)n1	159732733	DGZLPEJXFZGRFF-LJQANCHMSA-N	321.399	4.414	70	20	DIID	
Cc1ccc(C(=O)NC2CC2)cc1NCc1ccc([C@H]2C[C@H]2C)o1	160249146	ADFBHXQECLIYRJ-DYVFJYSZSA-N	324.424	4.216	70	20	DIID	
Cc1cc(N[C@H]2CCO[C@H](C3CC3)C2)c2cccc(F)c2n1	160422010	VBWWYLGBNBPUFW-GUYCJALGSA-N	300.377	4.052	70	20	DIID	
Cc1cc(N[C@@H]2CCO[C@@H](c3ccccc3)C2)nc(C(C)C)n1	160602516	HZCUCICQQSTEOL-IAGOWNOFSA-N	311.429	4.241	70	20	DIID	
CC[C@@H](C)C(=O)N1CCCc2cc(Br)cc(C)c21	216767761	FAJKGADJSLAHDF-SNVBAGLBSA-N	310.235	4.083	70	20	DIID	
Cc1ccccc1CCNC(=O)N(Cc1ccccc1)C(C)C	217315617	WOJJOUGHRMAYQH-UHFFFAOYSA-N	310.441	4.158	70	20	DIID	
Cc1ncc([C@H](C)N[C@H]2CCSc3ccc(F)cc32)c(C)n1	159432347	LRRZQBRLMYWCSL-ZBEGNZNMSA-N	317.433	4.120	70	20	DIID	
Cc1nc(-c2ccccc2)ncc1C(=O)N1C[C@@H](C)CCC[C@@H]1C	159489596	JOOBRURIIIYULH-GJZGRUSLSA-N	323.440	4.103	70	20	DIID	
CCc1noc(C)c1CSCc1nc(-c2cccs2)no1	159684222	OWQPAYWECONKTQ-UHFFFAOYSA-N	321.427	4.090	70	20	DIID	
CCN(C)C(=O)c1c(C)n(C2CCCC2)c2ccc(OC)cc12	160108906	UFFOKJYTVXMDOB-UHFFFAOYSA-N	314.429	4.165	70	20	DIID	
CS[C@H](C)CC(=O)N(Cc1ccco1)Cc1ccc(C)s1	161266721	NLJANNWSYJAARG-CYBMUJFWSA-N	323.483	4.320	70	20	DIID	
Cc1c(NC(=O)NC2CCCCCC2)cnn1CCC(C)C	161414444	WOQRMGRVQRJFFC-UHFFFAOYSA-N	306.454	4.082	70	20	DIID	
C[C@H]1C[C@@H](NC[C@H](CO)c2ccccc2)c2ccsc2S1	161468731	HZYSQMGDAVTTJX-JGGQBBKZSA-N	319.495	4.039	70	20	DIID	
C[C@@H]1CSc2ccccc2N(C(=O)c2ccc(F)c(F)c2)C1	159486482	ZWXCSCMCRHLRFI-NSHDSACASA-N	319.376	4.353	70	20	DIID	
C[C@@H](CC(=O)N[C@@H](C)c1ccc(F)cc1Cl)c1ccncc1	160701364	LIBGDHXAGHPTIK-RYUDHWBXSA-N	320.795	4.245	70	20	DIID	
Cc1cccc(N(C)C(=O)c2cnc(-c3ccccc3)nc2C)c1	161242837	KGETVEZBYCAHJJ-UHFFFAOYSA-N	317.392	4.037	70	20	DIID	
CC[C@H]1CCCCN1C(=O)Nc1cnn(CCC(C)C)c1C	161418706	QKVVNFGJBXYLMO-HNNXBMFYSA-N	306.454	4.034	70	20	DIID	
C[C@@H]1CCC[C@H](OCCCCCC(=O)Nc2ccncc2)C1	160544920	XQGXZSRHCQLUFR-WBVHZDCISA-N	304.434	4.176	70	20	DIID	
CCc1ccsc1C(=O)O[C@H](c1ccccn1)C(F)(F)F	160610465	CYSZYEJFYIOGKK-GFCCVEGCSA-N	315.316	4.166	70	20	DIID	
COc1ccc([C@H](C)NCCCCc2nc(C)cs2)cc1	160700017	ZPDCUHJBHGGKEC-AWEZNQCLSA-N	304.459	4.134	70	20	DIID	
O=C(c1ccco1)N1CCSc2ccc(C(F)(F)F)cc21	161377833	DAQJCBHXPQALQE-UHFFFAOYSA-N	313.300	4.051	70	20	DIID	
CCCCn1ncc(NC(=O)N2C[C@H](C)CCC[C@H]2C)c1C	159865150	NVUFGVNCLATHFE-ZIAGYGMSSA-N	306.454	4.034	70	20	DIID	
CO[C@@H](C(=O)OCc1oc2ccccc2c1C)c1ccccc1	217202637	WTYBVNODGAAKPA-GOSISDBHSA-N	310.349	4.172	70	20	DIID	
CC1CCN(C(=O)Nc2cccc(N3CCC(C)CC3)c2)CC1	159700038	PELSBRKYUJLGJD-UHFFFAOYSA-N	315.461	4.187	70	20	DIID	
CCN(C(=O)Nc1ccc(Br)c(Cl)c1)C1CC1	161242600	WNNNBCHHSBNXQH-UHFFFAOYSA-N	317.614	4.119	70	20	DIID	
COCCC1(C(=O)N2Cc3ccccc3-c3ccccc3C2)CC1	161396766	IGXREAPAOFHCRA-UHFFFAOYSA-N	321.420	4.013	70	20	DIID	
CCS[C@@H]1CCC[C@H](NC2CCN(C3CCCCC3)CC2)C1	159371086	GCNVTMSVSHVOIV-PKOBYXMFSA-N	324.578	4.437	70	20	DIID	
CCc1cnc(CN(C)C(=O)NCC(CC)(CC)CC)s1	159596009	LKNQWJBCHZTXDM-UHFFFAOYSA-N	311.495	4.063	70	20	DIID	
Cc1nc2ccc(NC(=O)c3ccc(C(C)C)nc3)cc2s1	159668615	MMGNLNKMSCQANW-UHFFFAOYSA-N	311.410	4.375	70	20	DIID	
Cc1ccc(-c2cncc(C(=O)Nc3ccc(Cl)cn3)c2)cc1	159878554	MGWRRFOUVPYTIS-UHFFFAOYSA-N	323.783	4.358	70	20	DIID	
CC(C)Oc1ccc(NC(=O)N2CC[C@@H]3CCCC[C@@H]32)c(F)c1	160789532	DHGRFRAAFWZMCX-GUYCJALGSA-N	320.408	4.409	70	20	DIID	
CC1(C)C[C@H](NC(=O)Nc2ccccc2-c2ccccc2)CCO1	160898073	SOJJEGCYCQFPHA-MRXNPFEDSA-N	324.424	4.433	70	20	DIID	
Cc1ccc(CN[C@H](C)c2ccc(OCC(F)(F)F)cc2)cn1	161307754	ILNQYSZTSCUJAW-CYBMUJFWSA-N	324.346	4.182	70	20	DIID	
Cc1sc2nc([C@@H](C)Sc3ccncc3)nc(N)c2c1C	160032264	CPHWOHGPYPTPDG-SNVBAGLBSA-N	316.455	4.139	70	20	DIID	
Cc1cc(C)c(NC(=O)CCc2ccc(F)cc2F)c(C)c1	160065520	ZNHUQDZWWLHMAD-UHFFFAOYSA-N	303.352	4.461	70	20	DIID	
Cc1nn(C)cc1CN[C@H](CC(C)(C)C)c1ccc(F)cc1	160241020	LCYNVYQFHKBBDS-QGZVFWFLSA-N	303.425	4.135	70	20	DIID	
Cc1cccc2nc(CN[C@H](C)c3ccc(Cl)s3)cn12	160300961	YLMBBPKTKQDVKH-LLVKDONJSA-N	305.834	4.208	70	20	DIID	
c1ccc(-c2csc(N[C@H]3CCO[C@H](C4CC4)C3)n2)cc1	160395844	WYWBIQLVFHZDER-HOCLYGCPSA-N	300.427	4.180	70	20	DIID	
c1ccc2c(c1)CC[C@H]2NCc1ccc(N2CCCCCC2)nc1	160525593	RBIFBSBTXNKULR-HXUWFJFHSA-N	321.468	4.239	70	20	DIID	
CCC[C@H](C(=O)NC1(c2cccc(F)c2)CCOCC1)C(C)C	159616311	CHMZHEXXMDPNCI-KRWDZBQOSA-N	321.436	4.020	70	20	DIID	
CC[C@H](NC(=O)c1ccc(C(C)C)cc1)c1c(C)noc1C	160482341	SJWWPFLYYCLTBB-INIZCTEOSA-N	300.402	4.296	70	20	DIID	
CC[C@]1(C)C[C@H]1C(=O)Nc1ccc(NC(=O)CC(C)C)cc1	160857865	LIZHWGUBEOZOGT-MAUKXSAKSA-N	302.418	4.046	70	20	DIID	
Cc1ccc(CN(C)Cc2cnc(-c3ccsc3)s2)o1	160859184	QTZRTWYSOHSUOI-UHFFFAOYSA-N	304.440	4.405	70	20	DIID	
C[C@H]1C[C@@H](N[C@@H]2CCC[C@H](N(C)C)C2)c2ccsc2S1	161049503	YXDFZXFXMDVLAA-SFDCQRBFSA-N	310.532	4.136	70	20	DIID	
COCc1ccc([C@H]2CCCN2C(=O)C[C@H](C)CC(C)C)o1	161262787	IFZPSQWBNWWOSO-GDBMZVCRSA-N	307.434	4.162	70	20	DIID	
O=C(NCc1ccc(Cl)cc1)Nc1c(F)cccc1Cl	217313074	UATBYNUNMHPHPK-UHFFFAOYSA-N	313.159	4.454	70	20	DIID	
CC(C)c1cccc(C(C)C)c1NS(=O)(=O)CCC1CC1	160723148	AQKPVCFLMLJFLW-UHFFFAOYSA-N	309.475	4.475	70	20	DIID	
CSCCc1ccc(NC(=O)N2CC[C@@H](C)[C@@H](C)C2)cc1	161060038	AFXBPRMSAQVIIS-KGLIPLIRSA-N	306.475	4.102	70	20	DIID	
CCc1ccc(C(=O)Nc2[nH]nc(-c3ccc(C)o3)c2C)cc1	161369690	HKHUANVTFBHQSO-UHFFFAOYSA-N	309.369	4.101	70	20	DIID	
Cc1cccc2[nH]cc(CC(=O)N[C@@H]3CCCc4sccc43)c12	160031968	XBFWUYQQTOBXMF-OAHLLOKOSA-N	324.449	4.274	70	20	DIID	
Cc1ccc2c(c1)OCCC[C@@H]2NCc1ccc(CN(C)C)cc1	160861479	FHSVBNNIIWIEDG-FQEVSTJZSA-N	324.468	4.060	70	20	DIID	
CCC(CC)(CNC(=O)C[C@@H](C)c1ccncc1)c1ccccc1	160898467	JWYXSUFLZDAURE-QGZVFWFLSA-N	324.468	4.449	70	20	DIID	
FC(F)Oc1ccccc1Oc1cc(Cl)nc(C2CC2)n1	159553978	DXBGSRPXRPSTDT-UHFFFAOYSA-N	312.703	4.401	70	20	DIID	
CCCC[C@H](CC)CC(=O)Nc1ccc(C(=O)NC)cc1Cl	160200173	SAMCRAJMEWRPGZ-LBPRGKRZSA-N	324.852	4.245	70	20	DIID	
Cc1ccccc1NC(=O)[C@@H](C)SCCN(C(C)C)C(C)C	160954298	SOHKFUKYZODPMP-MRXNPFEDSA-N	322.518	4.174	70	20	DIID	
C[C@H](c1c(F)cccc1F)N1CCO[C@@H](c2cccc(F)c2)C1	216706515	MBPVNITXZBLOKF-SJKOYZFVSA-N	321.342	4.238	70	20	DIID	
C[C@@H]1Cc2ccccc2N1C(=O)NCCc1ccc(Cl)cc1	217308610	QBPPACPZTJFBIN-CYBMUJFWSA-N	314.816	4.043	70	20	DIID	
CC[C@H](C(=O)Nc1cc(F)c(F)cc1F)c1ccc(F)cc1	159810747	PYBCNDQHKARZFC-NSHDSACASA-N	311.278	4.375	70	20	DIID	
Cc1cc(C)c(NC(=O)[C@H](C)Sc2ccncc2)c(C)c1	159988190	JIMANEMUKSADJG-AWEZNQCLSA-N	300.427	4.126	70	20	DIID	
CC(C)Oc1ccc(NC(=O)N2CC[C@H](C)[C@@H](C)C2)c(F)c1	160648086	MIYKGYGLJLIVDX-STQMWFEESA-N	308.397	4.123	70	20	DIID	
O[C@@H](CNc1ncccc1Cl)c1cc2ccccc2s1	160983380	WYPRWSYGCRROOJ-LBPRGKRZSA-N	304.802	4.095	70	20	DIID	
CCCn1nc(C)c(C(=O)N[C@H](C)c2ccccc2Cl)c1C	161409658	AIXFJUDIMDMLGD-LLVKDONJSA-N	319.836	4.054	70	20	DIID	
CC[C@H](NC(=O)c1ccc(Cl)cc1C)c1c(C)noc1C	160475240	PBBDPJOVKMSUPD-AWEZNQCLSA-N	306.793	4.134	70	20	DIID	
Cc1cccc(-c2cncc(C(=O)Nc3ccccc3O)c2)c1	160531342	KDULNSFCTQLPEL-UHFFFAOYSA-N	304.349	4.015	70	20	DIID	
CC[C@H](N[C@H](C)C(=O)N1CCCCCC1)c1ccc(Cl)cc1	218038293	VSAYXYKJQZNJGK-PBHICJAKSA-N	322.880	4.172	70	20	DIID	
CC[C@]1(C)C[C@@H]1C(=O)N(Cc1ccco1)Cc1cccs1	159486120	VXXZDHLQDBSWQM-NVXWUHKLSA-N	303.427	4.306	70	20	DIID	
Cc1ccc(Cl)cc1NC(=O)COc1ccc2[nH]ccc2c1	160074973	FHNAKIZFDNEKPL-UHFFFAOYSA-N	314.772	4.147	70	20	DIID	
CC(C)(C)c1nc(CCNC(=O)C(C)(C)C2CCCC2)cs1	160758395	HDMFPCDLXVFXQX-UHFFFAOYSA-N	322.518	4.316	70	20	DIID	
COc1ccccc1C[C@H](C)NCc1cc(Cl)ccc1F	160777169	DKVKPNIIZUCZSZ-LBPRGKRZSA-N	307.796	4.209	70	20	DIID	
C[C@H](CCC(=O)N[C@H]1CCc2c(O)cccc21)c1ccccc1	160043374	GDGHUADDXIPTRF-KDOFPFPSSA-N	309.409	4.080	70	20	DIID	
CC(C)N(CC(F)F)C(=O)[C@@H](C)Cc1cccc(Cl)c1	160095440	HGCKQWGUUFMCDI-NSHDSACASA-N	303.780	4.021	70	20	DIID	
C[C@H](CC1CCCC1)C(=O)N[C@@H]1CCOC2(CCCCC2)C1	160443834	RYPGDGSFTVWZIG-NVXWUHKLSA-N	307.478	4.201	70	20	DIID	
COc1c(Cl)cccc1NC(=O)[C@@H](c1ccccc1)C1CC1	160828466	DYHVRRBBYXFDLT-INIZCTEOSA-N	315.800	4.481	70	20	DIID	
CO[C@@H](C(=O)N(C)[C@@H](C)c1cc2ccccc2o1)c1ccccc1	161348591	AMRHCRJHZPIKFR-IFXJQAMLSA-N	323.392	4.340	70	20	DIID	
Cc1ccc(CCNC(=O)N2CCC[C@@H]2c2ccccc2)cc1	217225237	CUDLDDWIDHOLMS-LJQANCHMSA-N	308.425	4.084	70	20	DIID	
C[C@@H](CC(=O)N(C)[C@H](C)c1cc(F)ccc1F)c1ccncc1	159522571	CEZAAWVFOWEOGD-QWHCGFSZSA-N	318.367	4.073	70	20	DIID	
CCOc1ccc([C@@H](C)N[C@H](C)c2cncc(F)c2)cc1OC	159969829	MTJDHRBWOWVWMI-CHWSQXEVSA-N	318.392	4.040	70	20	DIID	
Cc1cccc(C)c1CN[C@H](C)c1nc(Cc2ccccc2)no1	160325984	GGFZOPLHFWBNTM-MRXNPFEDSA-N	321.424	4.128	70	20	DIID	
c1ccc(-c2csc(N[C@H]3CCO[C@@H](C4CC4)C3)n2)cc1	160396089	WYWBIQLVFHZDER-GOEBONIOSA-N	300.427	4.180	70	20	DIID	
Cc1csc(CCCCN[C@H]2CCc3cc(F)ccc32)n1	160640334	LYJKGGYSPHZRJH-INIZCTEOSA-N	304.434	4.190	70	20	DIID	
CC[C@H](C)NC(=O)c1cccc(CN[C@@H](C)c2ccc(C)cc2)c1	161139687	WCMRZNKNQZZBLL-IRXDYDNUSA-N	324.468	4.374	70	20	DIID	
CC(C)[C@H](C(=O)N[C@H]1CCOC2(CCCC2)C1)c1ccccc1	159778591	MALHVIZOEVFABX-ROUUACIJSA-N	315.457	4.034	70	20	DIID	
C[C@H](c1ncc(C(C)(C)C)o1)N(C)Cc1cccc(N(C)C)c1	159853927	WPEFJXLRRSMELD-CQSZACIVSA-N	315.461	4.231	70	20	DIID	
C[C@@H](Nc1ccccc1O[C@@H]1CCOC1)c1cc(F)ccc1F	159980924	SGNLKISKCKWXJB-TZMCWYRMSA-N	319.351	4.306	70	20	DIID	
COc1ccc(N(C)C(=O)CCc2ccccc2F)cc1Cl	160160600	ZVUCEYBYWSPCAE-UHFFFAOYSA-N	321.779	4.083	70	20	DIID	
Cc1csc(CCCCN[C@@H]2CCc3ccc(F)cc32)n1	160682573	HVLDSSSGALJRSD-MRXNPFEDSA-N	304.434	4.190	70	20	DIID	
CCSc1cc(Cl)ccc1C(=O)NC[C@@H]1CCCS1	160990892	NCHBEBJZODDFTJ-NSHDSACASA-N	315.891	4.077	70	20	DIID	
CCN(C(=O)Nc1cnn(CCC(C)C)c1C)C1CCCC1	161318334	PLVQCHACICWGRQ-UHFFFAOYSA-N	306.454	4.034	70	20	DIID	
Cc1ccc(CNC(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)cc1	217315179	BLZKGOLHVYLVBG-APWZRJJASA-N	300.446	4.105	70	20	DIID	
CN(C(=O)Nc1ccc2c(c1)Cc1ccccc1-2)[C@H]1CCSC1	159579379	YZGDHKJGNFYJOI-INIZCTEOSA-N	324.449	4.227	70	20	DIID	
CCCCn1ncc(NC(=O)N(C)[C@H]2CCCC[C@H]2C)c1C	159697731	PGTACNKLADRMMN-CJNGLKHVSA-N	306.454	4.034	70	20	DIID	
CCc1noc(C)c1CSCc1cn2cc(Cl)ccc2n1	159830161	DTMLJLQIZZGKHS-UHFFFAOYSA-N	321.833	4.280	70	20	DIID	
Fc1cc(Cl)ccc1CNc1cccc(-n2ccnc2)c1	160694017	BFVKUZHIKGNCNF-UHFFFAOYSA-N	301.752	4.277	70	20	DIID	
C[C@H](NC(=O)Nc1ccc2[nH]ccc2c1)c1cccc(F)c1F	160774802	LADVPAGEZMGVRS-JTQLQIEISA-N	315.323	4.329	70	20	DIID	
CCc1ncsc1NC(=O)[C@@H](C)Cc1ccc(Cl)cc1	160984682	DTZAQJTVAXAKNC-JTQLQIEISA-N	308.834	4.176	70	20	DIID	
C[C@@H](NC[C@H](Cc1ccccc1)c1ccccc1)C1CCOCC1	161258507	HYHFCNGYHAZKBB-GCJKJVERSA-N	323.480	4.418	70	20	DIID	
CC(C)CCCNC(=O)Nc1cccc(Oc2ccncc2)c1	217156276	COOVWMNPEFEMFO-UHFFFAOYSA-N	313.401	4.432	70	20	DIID	
CCn1nccc1CNc1ccc(Cl)c(C(F)(F)F)c1	159996714	SIABQDMZTQHJEV-UHFFFAOYSA-N	303.715	4.187	70	20	DIID	
COCCCC(=O)N1CCCC[C@H]1c1ccc(C(C)C)cc1	160364915	JAXXNHJIMKJWRO-SFHVURJKSA-N	303.446	4.290	70	20	DIID	
Cc1cc(NC(=O)C[C@@H](C)c2ccncc2)c2ccccc2n1	160533374	LWNAXWTZGJYJNN-CYBMUJFWSA-N	305.381	4.071	70	20	DIID	
Cc1csc(CCCCN[C@H](C)c2cc(F)cc(F)c2)n1	160682439	UMWRBCYZFVUPJA-GFCCVEGCSA-N	310.413	4.403	70	20	DIID	
CCc1cc(C(=O)N[C@H](C)CC(=O)c2cccs2)sc1C	160724812	YVVIUXIUEPUHIQ-SNVBAGLBSA-N	321.467	4.072	70	20	DIID	
C[C@H](CC(=O)N[C@H]1CCOC2(CCCCC2)C1)c1ccccc1	160967170	TZZGKNZYRSNGEB-AEFFLSMTSA-N	315.457	4.178	70	20	DIID	
COCc1ccc([C@@H]2CCCN2C(=O)C[C@H](C)CC(C)C)o1	161263020	IFZPSQWBNWWOSO-ZBFHGGJFSA-N	307.434	4.162	70	20	DIID	
Cc1c(Cl)cc(NC(=O)c2ccnc(C3CC3)n2)cc1Cl	217152600	GGMJPUPOCWZOMI-UHFFFAOYSA-N	322.195	4.222	70	20	DIID	
C[C@@H](Sc1n[nH]c(-c2ccccn2)n1)c1ccccc1Cl	217227683	ZYDTXIUAGHARMS-SNVBAGLBSA-N	316.817	4.373	70	20	DIID	
C[C@H](NC[C@@H](O)Cc1ccccc1)c1cccc2ccccc12	218711394	RQPSZYPWTRLSLC-LPHOPBHVSA-N	305.421	4.094	70	20	DIID	
CCc1cccc(N[C@H](C)C(=O)N(C)Cc2ccccc2C)c1	218738489	NEAQYEQSKNUILR-MRXNPFEDSA-N	310.441	4.016	70	20	DIID	
Cc1nccc(NC(=O)NC2CC(c3ccccc3)C2)c1Cl	159895295	JMTFYUIBSCPREI-UHFFFAOYSA-N	315.804	4.111	70	20	DIID	
CC(C)Oc1ccc(CN[C@H]2c3cc(F)ccc3C[C@@H]2C)cn1	160110256	KQAUUQIIONPOAL-ORAYPTAESA-N	314.404	4.031	70	20	DIID	
CCC[C@H](Cc1ccccc1)NC(=O)C[C@@H](C)c1ccncc1	160397796	ZRKQERSLKMCMCA-VQIMIIECSA-N	310.441	4.103	70	20	DIID	
CC(C)C[C@@H]1CCCCCN1C(=O)C[C@H](C)c1ccncc1	160768429	XVOHJVFEJUBJLJ-WMZOPIPTSA-N	302.462	4.393	70	20	DIID	
Fc1cccc([C@H]2CN(Cc3ccccc3Cl)CCO2)c1	216706167	AKCKHYURVOZEHQ-QGZVFWFLSA-N	305.780	4.053	70	20	DIID	
c1ccn2c(SCc3noc(C4CCCCC4)n3)ncc2c1	159371899	GCYWPCGFTWCKLL-UHFFFAOYSA-N	314.414	4.057	70	20	DIID	
Cc1cc(C)c(C(=O)N2C[C@@H](C)CSc3ccccc32)o1	159583646	CTMZRJZSYOFTRR-LLVKDONJSA-N	301.411	4.285	70	20	DIID	
CSc1cccc(NC(=O)Nc2ccnc(C)c2Cl)c1	159906268	LPKXSERJWVDLRZ-UHFFFAOYSA-N	307.806	4.409	70	20	DIID	
CCOc1ccc(OC)cc1NC(=O)c1ccc(F)c(Cl)c1	160031221	GMHJFXSHCJGQFL-UHFFFAOYSA-N	323.751	4.139	70	20	DIID	
CC(C)c1ccsc1C(=O)N[C@H]1CCOC2(CCCCC2)C1	160736437	HASGFCSLIIDUAC-AWEZNQCLSA-N	321.486	4.483	70	20	DIID	
Cc1ccc(OC(F)F)c([C@@H](C)NCc2ccc(C)nc2)c1	161267150	XUVUNCUPWUKCAB-CYBMUJFWSA-N	306.356	4.151	70	20	DIID	
CC(=O)c1ccc(C)cc1OCc1noc(C2CCCCC2)n1	159517641	GUDZNBFUERVYFH-UHFFFAOYSA-N	314.385	4.207	70	20	DIID	
C[C@H](O)C[C@H](CNC(=O)CCCC1CCCC1)c1ccccc1	159745322	OVWMUJQOQZCJAY-QFBILLFUSA-N	317.473	4.018	70	20	DIID	
Cc1cc(NC(=O)Nc2cnn(CCC(C)C)c2C)ccc1F	160044846	IDSMFPNNKBGLMA-UHFFFAOYSA-N	318.396	4.329	70	20	DIID	
C[C@H](NCc1ccc(CN(C)C)cc1)c1cc2c(s1)CCC2	160874917	GRJNSANFXHOBIM-AWEZNQCLSA-N	314.498	4.149	70	20	DIID	
O=C(c1c(Cl)cccc1Cl)N1CCc2sccc2C1	218455988	VEIRLHIXQGEXKG-UHFFFAOYSA-N	312.221	4.253	70	20	DIID	
C[C@@H](N[C@H]1CCSc2ccc(Cl)cc21)C1CCOCC1	159474388	LJRPECGUYFPLSV-ABAIWWIYSA-N	311.878	4.282	70	20	DIID	
O=C(N[C@H]1CCCc2sccc21)c1ccc2ncccc2c1	159997844	ZFFUGJZUFAMLQL-INIZCTEOSA-N	308.406	4.104	70	20	DIID	
COc1ccccc1CN(C)Cc1cnc(C2CCC2)s1	160425076	TZFSFZGMBBTOFD-UHFFFAOYSA-N	302.443	4.051	70	20	DIID	
CCC[C@H](CCc1ccccc1)NC(=O)C[C@@H](C)c1ccncc1	160806367	KEZYOJVOKOUEGQ-YLJYHZDGSA-N	324.468	4.493	70	20	DIID	
CC[C@H]1c2ccsc2CCN1Cc1noc2c1CCCC2	217025413	FVJULDGXHIFRMW-HNNXBMFYSA-N	302.443	4.124	70	20	DIID	
CCN(C(=O)CNc1ccccc1Cl)c1ccccc1C	217144568	JGKRAQJYCZCBDK-UHFFFAOYSA-N	302.805	4.113	70	20	DIID	
Cc1ccc(OCCCNC(=O)Nc2cc(C)cc(C)c2)cc1	217297945	DHRYGCCLOCNHRV-UHFFFAOYSA-N	312.413	4.202	70	20	DIID	
C[C@H]1Cc2ccccc2N1C(=O)NCCc1cccc(Cl)c1	217465616	KMCRLIDNBVSXRB-ZDUSSCGKSA-N	314.816	4.043	70	20	DIID	
O=C(NC1CCCC1)N1CCC(c2ccc(Cl)cc2)CC1	218756629	YEYGNPQZQREYSU-UHFFFAOYSA-N	306.837	4.172	70	20	DIID	
CCOc1ccc(NC(=O)[C@@H](C)c2c(F)cccc2F)cc1	160716168	NSTKYAPNOLVBPQ-NSHDSACASA-N	305.324	4.106	70	20	DIID	
CC[C@H](SC)c1nc(-c2cc(Br)cs2)no1	161278536	VYFYZSPYALLYBK-ZETCQYMHSA-N	319.249	4.375	70	20	DIID	
CCc1nc(COC(=O)c2csc3ccccc23)cs1	218777264	UJTYTNTWRKBWAE-UHFFFAOYSA-N	303.408	4.277	70	20	DIID	
CCc1cccc(CC)c1NC(=O)c1ccc(Cl)nc1C	160085145	OZJXBCAGCSZHNH-UHFFFAOYSA-N	302.805	4.421	70	20	DIID	
CCN(Cc1ccoc1)Cc1ncc(-c2ccccc2F)o1	160247433	PSWSEWHBENVYMK-UHFFFAOYSA-N	300.333	4.096	70	20	DIID	
CC[C@@H](NC(=O)CCc1ccc(Cl)cc1)c1c(C)noc1C	160534668	RWJDOZZZMVVJHJ-OAHLLOKOSA-N	320.820	4.145	70	20	DIID	
CC(C)c1ccsc1C(=O)N[C@@H](C)CC(=O)c1cccs1	161027939	YJQMYMRCUORWOQ-NSHDSACASA-N	321.467	4.324	70	20	DIID	
CC[C@@H]1CCCC[C@H]1N(C)C(=O)c1cnc(-c2ccccc2)nc1	161124424	JCWMWWJZTVFLFY-CRAIPNDOSA-N	323.440	4.184	70	20	DIID	
CC(=O)c1ccccc1OCCOc1ccccc1C(F)(F)F	217123159	PNJOHABDTBDCGP-UHFFFAOYSA-N	324.298	4.366	70	20	DIID	
CCCN(CCc1cccc(F)c1)Cc1noc2c1CCCC2	217181895	HVFJZCVXANFEAU-UHFFFAOYSA-N	316.420	4.147	70	20	DIID	
CCCc1ccc(N[C@@H](C)C(=O)NCCc2ccccc2C)cc1	218724081	YCCAZGPMWDEORN-KRWDZBQOSA-N	324.468	4.107	70	20	DIID	
CCC[C@H](C)CC(=O)N[C@@H](c1cccc(C)c1)c1ccccn1	160105193	QCYSWBJPNYKWFZ-YWZLYKJASA-N	310.441	4.422	70	20	DIID	
CSC[C@@H](CCO)N[C@H](C)c1ccc(-c2cccs2)cc1	160183979	DFSGEYXPULCCBU-CZUORRHYSA-N	321.511	4.180	70	20	DIID	
CC1(C)C[C@@H](NC(=O)Nc2ccccc2C(C)(C)C)CCO1	160864938	HVPRSBKCVCELAS-ZDUSSCGKSA-N	304.434	4.063	70	20	DIID	
COc1cccc(C(=O)Nc2ccccc2-c2csc(C)n2)c1	218572248	MURYKEUUDPWNEZ-UHFFFAOYSA-N	324.405	4.379	70	20	DIID	
CCCCn1ncc(C(=O)Nc2ccc(Cl)cc2F)c1C	159513956	ZUTNSHRAQHDUJM-UHFFFAOYSA-N	309.772	4.036	70	20	DIID	
CC(=O)Nc1cc(C(F)(F)F)ccc1NCc1ccccc1	160330657	GMFQSAZXKFBVPC-UHFFFAOYSA-N	308.303	4.276	70	20	DIID	
O=C(NCCCCc1ccccc1)Nc1ccccc1Cl	217275589	SNZIPXRUCBBSDN-UHFFFAOYSA-N	302.805	4.484	70	20	DIID	
CCCC(=O)Nc1cccc(NCc2c(CC)noc2C)c1C	159417361	HROCWWDKTICNCU-UHFFFAOYSA-N	315.417	4.205	70	20	DIID	
CCN(CC)CCCC1CCN(C(=O)C(C)(CC)CC)CC1	159468663	INKHQAZCGFHIJR-UHFFFAOYSA-N	310.526	4.173	70	20	DIID	
CC[C@H](NC(=O)CC[C@H](C)c1ccccc1)c1c(C)noc1C	160100528	OVRANLVFDFAIPK-GUYCJALGSA-N	314.429	4.443	70	20	DIID	
CCOc1ccc([C@H](C)N[C@H](CCCO)c2ccccc2)cc1	160894619	JZNCJXBXVJDXIA-OXJNMPFZSA-N	313.441	4.250	70	20	DIID	
CN1CCC(N[C@H](CCc2ccccc2)c2ccccc2)CC1	161493437	DOKIXNCFKBQUOK-OAQYLSRUSA-N	308.469	4.044	70	20	DIID	
CCOc1ccccc1CN1CC=C(c2ccc(O)cc2)CC1	217102331	FVNBZDITBVLRGX-UHFFFAOYSA-N	309.409	4.080	70	20	DIID	
O=C(CCC1CCCC1)CSc1nccc(C(F)(F)F)n1	160217617	DGJCGIXVFSGKIL-UHFFFAOYSA-N	318.364	4.127	70	20	DIID	
CC[C@@H](NC(=O)c1ccc(Cl)cc1C)c1c(C)noc1C	160475351	PBBDPJOVKMSUPD-CQSZACIVSA-N	306.793	4.134	70	20	DIID	
Cc1ccc(CN(C)Cc2ccc(Oc3cnccn3)cc2)cc1	160640628	JWNDGRKACMBJMC-UHFFFAOYSA-N	319.408	4.209	70	20	DIID	
C[C@H]1C[C@H](NC[C@H](CO)c2ccccc2)c2ccsc2S1	161468585	HZYSQMGDAVTTJX-BJJXKVORSA-N	319.495	4.039	70	20	DIID	
Cc1cc(NC2CCC(NC(=O)OC(C)(C)C)CC2)ccc1F	218106367	BEUJNKQUEFUOKZ-UHFFFAOYSA-N	322.424	4.382	70	20	DIID	
Cc1cc(C)cc(C(=O)Nc2cc(F)ccc2OC(F)F)c1	159390582	YTWZQSBSWQFCFO-UHFFFAOYSA-N	309.287	4.296	70	20	DIID	
CCCCCC[C@@H](C)NC(=O)c1c(C(C)C)nn(C)c1Cl	159630862	OBHULNPMVNUOQI-GFCCVEGCSA-N	313.873	4.286	70	20	DIID	
O=C(O[C@@H](c1ccccn1)C(F)(F)F)C1CCCCCC1	159880405	QRBGGRJGPIBASJ-ZDUSSCGKSA-N	301.308	4.199	70	20	DIID	
C[C@H]1CCN(C(=O)Nc2cccc(OC(F)F)c2)C[C@H](C)C1	159894755	HKRMSDCWTSNZMU-NWDGAFQWSA-N	312.360	4.188	70	20	DIID	
Brc1ccc(CNC2CCCCC2)c2ncccc12	160303108	NNQNHNONQMYWIB-UHFFFAOYSA-N	319.246	4.420	70	20	DIID	
Cc1csc(N(CC(F)(F)F)C(=O)C[C@@H]2CC[C@@H](C)C2)n1	160514881	YUQIQNGFUWWHJB-MWLCHTKSSA-N	320.380	4.173	70	20	DIID	
Cc1ccc([C@H](C)N[C@H](CN2CCCC2=O)c2ccccc2)cc1	160775125	XLSFDJYBDLBGIV-FXAWDEMLSA-N	322.452	4.009	70	20	DIID	
Cc1cc(N[C@H](C)c2cccnc2)ccc1OC1CCOCC1	161264978	ANLYWVCOXXIHMR-OAHLLOKOSA-N	312.413	4.121	70	20	DIID	
CSc1ccc(NC(=O)C23C[C@H]4C[C@@H](CC(F)(C4)C2)C3)cn1	161277997	SMOKOSIUXREQDG-VDQHWBOFSA-N	320.433	4.051	70	20	DIID	
CCCCc1nc(-c2ccc(OCc3nccs3)cc2)no1	161279622	COGXEQCTQWPPBP-UHFFFAOYSA-N	315.398	4.115	70	20	DIID	
COCCOc1cc(C)ccc1CN[C@H](C)c1ccccc1C	159784580	WSAHWWWROYXHSZ-QGZVFWFLSA-N	313.441	4.179	70	20	DIID	
CCC(CC)c1nnc(NC(=O)c2ccc(Cl)nc2C)s1	160355429	FFJONZVCCRCDSR-UHFFFAOYSA-N	324.837	4.051	70	20	DIID	
Fc1ccccc1-c1cnc(CN2CCC[C@H]2C2CCC2)o1	160454908	ANKZLHYEVUXSJK-INIZCTEOSA-N	300.377	4.245	70	20	DIID	
COc1ccccc1C[C@H](C)NCc1ccc(Cl)cc1F	160776937	BNHJRBZWGDLYJN-LBPRGKRZSA-N	307.796	4.209	70	20	DIID	
O=C(Nc1cc(F)ccc1SCC(F)F)NC1CC=CC1	161028077	XSMYUWNMFMSHKH-UHFFFAOYSA-N	316.348	4.023	70	20	DIID	
CN(C)c1ccc(CN[C@H](c2ccc(F)cc2)C(C)(C)C)cn1	161300044	CNWSEGRLLOABBI-GOSISDBHSA-N	315.436	4.164	70	20	DIID	
CCc1ccc(NC(=O)CN[C@@H](C)c2cc3ccccc3o2)cc1	216685033	BGVYBGRAAKTFEB-AWEZNQCLSA-N	322.408	4.285	70	20	DIID	
Cc1noc(C)c1CCSCc1csc(-c2ccco2)n1	160117473	OZNMBGCUHRZUFL-UHFFFAOYSA-N	320.439	4.484	70	20	DIID	
Cc1ccc([C@H](C)NCc2ccc(N3CCC(C)CC3)nc2)o1	160510054	SOUPSUBQTAGZDH-INIZCTEOSA-N	313.445	4.070	70	20	DIID	
CC(C)[C@@H](NCc1noc(-c2ccsc2)n1)c1ccccc1	160609913	GNDLUCRJEHWXRC-MRXNPFEDSA-N	313.426	4.285	70	20	DIID	
COc1ccc2c(c1)[C@H](NCCCCc1nc(C)cs1)CC2	160658978	PZUAZUZWJHHLEH-QGZVFWFLSA-N	316.470	4.060	70	20	DIID	
COc1cccc(C(C)(C)CNC(=O)Nc2cscc2C)c1	161259571	OZYOTZCPMKDNGB-UHFFFAOYSA-N	318.442	4.164	70	20	DIID	
CO[C@H](C(=O)N(C)[C@H](C)c1cc2ccccc2o1)c1ccccc1	161348939	AMRHCRJHZPIKFR-KUHUBIRLSA-N	323.392	4.340	70	20	DIID	
Cc1ccc(C)c(OCCSCCc2c(C)noc2C)c1	160069123	KWIQUQLHJFDZLN-UHFFFAOYSA-N	305.443	4.263	70	20	DIID	
Brc1ccc(CNc2cccnc2)c2ncccc12	160304365	OGKOPZLTNZNEQF-UHFFFAOYSA-N	314.186	4.004	70	20	DIID	
Cc1cccc(-c2cncc(C(=O)Nc3ccnc(C)c3)c2)c1	160559434	COQAVVCYJCCMLC-UHFFFAOYSA-N	303.365	4.013	70	20	DIID	
Cc1nc(-c2ccccc2)ncc1C(=O)N1C[C@H](C)CCC[C@H]1C	159489701	JOOBRURIIIYULH-HUUCEWRRSA-N	323.440	4.103	70	20	DIID	
Cc1ccc(C(=O)CCN2CCC[C@H]2c2cccc(C)n2)cc1	160288696	DZLBKOLXDUHLRJ-IBGZPJMESA-N	308.425	4.108	70	20	DIID	
CCOc1ccccc1NC(=O)[C@H]1C[C@H]1c1sccc1C	160358508	KVJPUOCLUZOXMD-OLZOCXBDSA-N	301.411	4.197	70	20	DIID	
C[C@@H](CC(=O)N[C@@H](c1ccccc1)C1CCC1)c1ccncc1	160444653	ISPSBKRCXSKXIW-YWZLYKJASA-N	308.425	4.233	70	20	DIID	
CC(C)(C)c1cnc([S@@](=O)CCCc2ccccc2)s1	160595596	OCEJARCXMNELJZ-HXUWFJFHSA-N	307.484	4.181	70	20	DIID	
CCSCc1cccc(NC(=O)NC2C[C@H](C)O[C@@H](C)C2)c1	161505000	NWFNQNKVRAAHHO-STQMWFEESA-N	322.474	4.017	70	20	DIID	
CCOc1cccc(CN[C@H](C)c2sc(CC)nc2C)c1	159382387	HIVSOGXZQMFTTO-GFCCVEGCSA-N	304.459	4.263	70	20	DIID	
C[C@@H](Nc1ccccc1O[C@H]1CCOC1)c1cc(F)ccc1F	159981166	SGNLKISKCKWXJB-OCCSQVGLSA-N	319.351	4.306	70	20	DIID	
Cc1ccc(NC(=O)OC(C)(C)C)cc1NCC1=CCCOC1	160426614	FLDPZXUEAZYLPI-UHFFFAOYSA-N	318.417	4.101	70	20	DIID	
C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)C[C@H]1CCCN1	161038806	QXXRZLVJFWSYBT-OXQOHEQNSA-N	322.452	4.015	70	20	DIID	
CN(Cc1ccccc1F)C(=O)c1cncc(-c2ccccc2)c1	159489649	IJHCBASDMQHPAY-UHFFFAOYSA-N	320.367	4.160	70	20	DIID	
Cc1cccc([C@H](NC(=O)C[C@@H](C)C(C)C)c2ccccn2)c1	159791085	MDPGRBFFNSRESE-UZLBHIALSA-N	310.441	4.278	70	20	DIID	
CC(=O)c1c(F)cccc1N[C@@H]1CCO[C@H](c2ccccc2)C1	160631490	VJCPQXJYGGKHCZ-QAPCUYQASA-N	313.372	4.361	70	20	DIID	
COc1ccccc1-c1ccc([C@@H](C)NC2CCN(C)CC2)cc1	161449854	XNZMPEPPZSYSOO-MRXNPFEDSA-N	324.468	4.107	70	20	DIID	
CCS[C@H]1CCC[C@H](N[C@@H]2CCCc3nc(C)sc32)C1	159431117	FHZGJYPCYXGFGY-KCQAQPDRSA-N	310.532	4.483	70	20	DIID	
C[C@H](CC(=O)N[C@@H]1CCOC2(CCCC2)C1)C1CCCCC1	160118196	CMRKTEMWYZMHNJ-NVXWUHKLSA-N	307.478	4.201	70	20	DIID	
Cc1nc(-c2cccs2)sc1C(=O)NCC1(C2CC2)CC1	160221327	VDFGIWZLVOYPOM-UHFFFAOYSA-N	318.467	4.100	70	20	DIID	
C[C@H]1CCN(C(=O)Nc2cccc(COCC3CC3)c2)C[C@@H]1C	160302002	FLWZYTLGPODSNX-GJZGRUSLSA-N	316.445	4.123	70	20	DIID	
COc1cc(CCC(=O)N2[C@@H](C)CCC[C@@H]2C)ccc1Cl	160768141	WRLOTOABCUIUEZ-STQMWFEESA-N	309.837	4.071	70	20	DIID	
CCc1ncsc1NC(=O)CCC(C)(C)c1ccccc1	161029445	HFFLTWHVASFAIQ-UHFFFAOYSA-N	302.443	4.402	70	20	DIID	
C[C@@H]1Sc2ccccc2N(Cc2nccn2C(F)F)[C@H]1C	161216489	RSXQTULLVIJOPV-QWRGUYRKSA-N	309.385	4.168	70	20	DIID	
C[C@H](O)C[C@@H](CNC(=O)CCCC1CCCC1)c1ccccc1	159745049	OVWMUJQOQZCJAY-LPHOPBHVSA-N	317.473	4.018	70	20	DIID	
CC(C)(C)n1ncc2c(Oc3ccc(Cl)cc3F)ncnc21	160331733	KPCMKXWLJWZNRU-UHFFFAOYSA-N	320.755	4.166	70	20	DIID	
CCCC1(CNC(=O)c2cnn(-c3ccccc3)c2C2CC2)CC1	160638227	MCMGTDJIFRBPHY-UHFFFAOYSA-N	323.440	4.060	70	20	DIID	
CCCn1nc(C)c(C(=O)Nc2ccc(C(C)(C)C)cc2)c1C	161164937	SBEJHBPSKBRKNU-UHFFFAOYSA-N	313.445	4.460	70	20	DIID	
Clc1ccc(Cn2nc(C3CC3)nc2C2CC2)c2ncccc12	161453543	LIRMHSGTYRBGEA-UHFFFAOYSA-N	324.815	4.283	70	20	DIID	
COc1cccc(CSCc2cc(OC)ccc2OC)c1	218043456	BVFXUPQLRCCIEI-UHFFFAOYSA-N	304.411	4.146	70	20	DIID	
O=C(CCCc1ccccc1)N[C@H]1CCOC2(CCCCC2)C1	160479680	FJJJJBREMLMXOL-SFHVURJKSA-N	315.457	4.007	70	20	DIID	
CC[C@H](S[C@H](C)C(=O)NCC(F)(F)F)c1ccc(F)cc1	161350963	ZGAVJSNWIXDCOL-SKDRFNHKSA-N	323.355	4.077	70	20	DIID	
COc1ccc(CN[C@@H]2CCC[C@H](C)[C@@H]2C)c(Cl)c1OC	216867130	HCHSIOYYNPKYKJ-SGMGOOAPSA-N	311.853	4.272	70	20	DIID	
CC1(C)C[C@@H](N[C@@H](c2ccccc2)c2ccc(F)cc2)CCO1	159942620	KBPKTYQLXXWXGX-OALUTQOASA-N	313.416	4.462	70	20	DIID	
CC(C)CCn1ccc(NC(=O)N2CCC[C@@H]2C2CCCC2)n1	160212223	FBURHAOAXWHTQA-MRXNPFEDSA-N	318.465	4.116	70	20	DIID	
CC[C@H](NS(=O)(=O)c1ccc(C)cc1)c1cccc(Cl)c1	216627229	RZSPGQOMMUWEGI-INIZCTEOSA-N	323.845	4.078	70	20	DIID	
Cc1ccc(NC(=O)NCCc2ccc(Cl)cc2)c(C)c1	217308527	ZVSXAPVHLIYOQN-UHFFFAOYSA-N	302.805	4.321	70	20	DIID	
Cc1cccc([C@@H](NC(=O)c2sccc2C)c2ccccn2)c1	160189221	IJXSUBYHSYQTOK-QGZVFWFLSA-N	322.433	4.279	70	20	DIID	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCc2sccc21	160270998	MHKVCHGWDKHMNW-MGPQQGTHSA-N	317.479	4.415	70	20	DIID	
CC(C)[C@@H](C)N(CC(F)(F)F)C(=O)C[C@H](C)c1ccncc1	160457245	BKQSPRCJMWGUOO-QWHCGFSZSA-N	316.367	4.011	70	20	DIID	
OCCC[C@@H](N[C@H](Cc1ccccc1)C1CC1)c1ccccc1	160688204	ROUBFYCIHCZTBW-NHCUHLMSSA-N	309.453	4.111	70	20	DIID	
C[C@H](CC(=O)N[C@H](C)c1c(F)cccc1Cl)c1ccncc1	161238306	RCDBJJSTLJXYBP-VXGBXAGGSA-N	320.795	4.245	70	20	DIID	
Cc1nc(-c2ccsc2)ccc1C(=O)N1[C@H](C)CC[C@H]1C	161491683	DHHGLQDGHJURAN-VXGBXAGGSA-N	300.427	4.132	70	20	DIID	
C[C@]1(c2ccccc2)CCCN(Cc2noc3c2CCCC3)C1	217181885	GARYHOGWHIXYSE-FQEVSTJZSA-N	310.441	4.107	70	20	DIID	
CC(C)c1ccc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2)cn1	160620984	MNDODMVZXHGKCW-GOSISDBHSA-N	312.388	4.321	70	20	DIID	
C[C@@H](C(=O)N(C)Cc1cccc(Cl)c1)c1c(F)cccc1F	161058442	SFMJSCCHDWPDCI-LLVKDONJSA-N	323.770	4.380	70	20	DIID	
CCc1noc(C)c1CSCc1noc(-c2ccsc2)n1	159716894	KSSDQAAOLAKEOD-UHFFFAOYSA-N	321.427	4.090	70	20	DIID	
CC[C@@H](N[C@H](C)C(=O)Nc1ccccc1)c1ccc(F)cc1F	160908528	BYESHYHVJVQEDY-SJKOYZFVSA-N	318.367	4.033	70	20	DIID	
Fc1cccc(COc2ccccc2OCc2nccs2)c1	161369158	HQBKZAYOKKZKMD-UHFFFAOYSA-N	315.369	4.440	70	20	DIID	
CN1CCC(N[C@@H]2CCCc3c(Cl)sc(Cl)c32)CC1	161422157	AVNDJAATTSSRRH-LLVKDONJSA-N	319.301	4.116	70	20	DIID	
CN1CCC(N[C@H]2CCCc3c(Cl)sc(Cl)c32)CC1	161422270	AVNDJAATTSSRRH-NSHDSACASA-N	319.301	4.116	70	20	DIID	
Cc1ccccc1CNC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2	217313745	MNDYRBDQNVIVCF-INIZCTEOSA-N	322.452	4.434	70	20	DIID	
CCc1ccc([C@H](C)NC(=O)NCc2ccc(Cl)cc2)cc1	217315262	XHUYZZLVQUZFSB-ZDUSSCGKSA-N	316.832	4.463	70	20	DIID	
CC(C)(C)c1cnc(CNC(=O)C[C@H]2CCCCC2(C)C)o1	159844360	RJEPQBPXCBFZIB-CYBMUJFWSA-N	306.450	4.195	70	20	DIID	
CCCOc1ccc([C@@H](C)N[C@@H](C)c2ccco2)cc1OC	160005471	IGWMNYHICGKAIL-KGLIPLIRSA-N	303.402	4.489	70	20	DIID	
CC[C@H](CN[C@@H](C)c1cnn(CC)c1)Oc1ccccc1Cl	160445022	KCPSJDDXLKOZAX-DZGCQCFKSA-N	321.852	4.065	70	20	DIID	
O=C(Nc1ccc2nc(Cc3ccccc3)oc2c1)c1ccoc1	160490695	VFYJUBCNKOCWMB-UHFFFAOYSA-N	318.332	4.264	70	20	DIID	
CCOc1ccc(CNC(=O)Nc2ccc(Cl)cc2C)cc1	217300887	XEOFIYYEZJVDBX-UHFFFAOYSA-N	318.804	4.369	70	20	DIID	
COc1ccc(OC)c([C@@H](C)N[C@H]2CCc3ccc(C)cc32)c1	159998059	LOGIJLICTOJHJN-KUHUBIRLSA-N	311.425	4.350	70	20	DIID	
CC[C@H](CN[C@@H](C)c1cncc(F)c1)Oc1ccccc1Cl	160449960	DSHRGGGZKHIXLA-SWLSCSKDSA-N	322.811	4.382	70	20	DIID	
Cc1ccc(C)c([C@@H](C)NCc2cccc(N3CCCC3=O)c2)c1	160755348	ICEKGPQIPLDQHO-QGZVFWFLSA-N	322.452	4.281	70	20	DIID	
C[C@H]1CC[C@H](NCc2ccc(CN(C)C)cc2)c2ccccc21	160882112	JIEZIVQQPLOHNK-KKSFZXQISA-N	308.469	4.476	70	20	DIID	
C[C@@H]1CCN(C(=O)Nc2ccc(F)cc2C(F)(F)F)C[C@@H]1C	161131439	XBEFCDJKHMAPES-ZJUUUORDSA-N	318.314	4.354	70	20	DIID	
CCOc1ccccc1[C@@H](C)NCc1ccc(OC(C)C)nc1	160094887	YKFJUALRFRAVMX-OAHLLOKOSA-N	314.429	4.118	70	20	DIID	
CC[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)c1c(C)noc1C	160337416	GURRSEWIWQQRJC-LZUXJJCOSA-N	316.445	4.075	70	20	DIID	
CCOC(=O)Nc1ccc(NC(=O)Nc2cscc2C)cc1	160656781	NNWLFNVUBVVLNE-UHFFFAOYSA-N	319.386	4.269	70	20	DIID	
CC[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(Br)o1	161145628	MYMIHRHWZPNLIK-MNOVXSKESA-N	314.223	4.083	70	20	DIID	
Cc1ccc(OCCCNC(=O)Nc2ccccc2Cl)cc1	217297675	HPQWMRLGXPDVRL-UHFFFAOYSA-N	318.804	4.239	70	20	DIID	
CCCCn1ncc(NC(=O)N2CCC[C@@H](C)[C@@H]2CCC)c1C	159778969	QNBZINPBXHKHPM-PBHICJAKSA-N	320.481	4.424	70	20	DIID	
Cc1ccc([C@H](C)NCCCc2nc3c(s2)CCCC3)o1	160628797	XWLAJKWSOOKJQJ-ZDUSSCGKSA-N	304.459	4.207	70	20	DIID	
Cc1ccc(NC(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)c(C)c1	160934782	QPZVMRPVIFYZPU-IEBWSBKVSA-N	324.424	4.345	70	20	DIID	
Cc1ccsc1CCCC(=O)N1CCC[C@@H]1c1ccc[nH]1	161381728	UERDAIGJBKFCGU-OAHLLOKOSA-N	302.443	4.071	70	20	DIID	
CC(C)c1cc(C(=O)Nc2ccccc2O)c2ccccc2n1	217132933	SATLVHKKCYJQTL-UHFFFAOYSA-N	306.365	4.316	70	20	DIID	
CSCCCCC(=O)N1C[C@@H](C)CSc2ccccc21	159568708	ATHVMUJLXBUCBG-CYBMUJFWSA-N	309.500	4.295	70	20	DIID	
CC[C@H](CC(=O)NCc1nc2ccccc2[nH]1)c1ccc(C)cc1	159818342	SGAOMNYNGLCJJU-OAHLLOKOSA-N	321.424	4.071	70	20	DIID	
C[C@@H](NCC(C)(C)c1cccc(C(F)(F)F)c1)c1cnccn1	160259582	WKECVAMTUSCSKV-GFCCVEGCSA-N	323.362	4.124	70	20	DIID	
FC(F)(F)c1ccnc(N[C@@H]2CCO[C@@H](c3ccccc3)C2)c1	160570831	OCVLQCAWSCTQSD-HUUCEWRRSA-N	322.330	4.433	70	20	DIID	
COCCOc1ccc(NCc2cc(F)cc(Cl)c2)cc1	160875154	VHEXQRBHSJOQLC-UHFFFAOYSA-N	309.768	4.116	70	20	DIID	
C[C@@H](CCn1cccn1)Nc1cccc(N2CCCCCC2)c1	159469069	UVTAIUYUUUAPMG-KRWDZBQOSA-N	312.461	4.154	70	20	DIID	
CCC(CC)c1cc(C(=O)Nc2ccccc2-n2ccnc2)on1	160086850	VSVRJZUJALCYIX-UHFFFAOYSA-N	324.384	4.016	70	20	DIID	
CCC(CC)C(=O)N[C@@H](C)c1noc(-c2ccc(Cl)cc2)n1	160316879	JXERAAIZUMJICF-JTQLQIEISA-N	321.808	4.003	70	20	DIID	
C[C@H]1CCC[C@@H](OCCCCCC(=O)Nc2ccncc2)C1	160545319	XQGXZSRHCQLUFR-DOTOQJQBSA-N	304.434	4.176	70	20	DIID	
CCc1ncsc1NC(=O)[C@@H](C)Cc1cccc(Cl)c1	160985111	RLTHNPUPCHVLFY-JTQLQIEISA-N	308.834	4.176	70	20	DIID	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N(C)Cc1cccc(Cl)c1	159465555	DFKMGUHQAZHXGV-CABCVRRESA-N	319.857	4.472	70	20	DIID	
Cc1nc(NC(=O)c2oc3c(C)cccc3c2C)cc(C2CC2)n1	160191049	GUDZYBQXBSUCGY-UHFFFAOYSA-N	321.380	4.278	70	20	DIID	
CC1(C)C[C@@H](NCc2cc(-c3ccccc3)cs2)CCO1	160434128	LVQMLTQNDXJOPO-INIZCTEOSA-N	301.455	4.462	70	20	DIID	
C[C@@H](CC(=O)Nc1ccc(CC(F)(F)F)cc1)c1ccncc1	160797209	ZAFUTEFMZKKYFQ-LBPRGKRZSA-N	322.330	4.319	70	20	DIID	
C[C@@H]1Cc2ccccc2N1C(=O)c1cc2ccccc2cc1O	218276110	DOOWJTSDTNUIHA-CYBMUJFWSA-N	303.361	4.137	70	20	DIID	
Cc1noc(C)c1CCSCc1csc(-c2ccoc2)n1	160140997	XQKGDRHAHSCONR-UHFFFAOYSA-N	320.439	4.484	70	20	DIID	
C[C@H](NC(=O)[C@H](C)Cc1ccccc1Cl)c1cccc(O)c1	160710722	KIDYOIAXOILYLU-OLZOCXBDSA-N	317.816	4.102	70	20	DIID	
CCOC(=O)[C@H](C)Nc1cccc(CO[C@H]2CCC[C@@H](C)C2)c1	217201305	OYHFCKKCMBRYCL-VKJFTORMSA-N	319.445	4.145	70	20	DIID	
CS[C@H]1CCC[C@H](NCc2cccc3c2OC(C)(C)C3)C1	217812127	NUPODOGEQDKSGF-HOTGVXAUSA-N	305.487	4.164	70	20	DIID	
CCCC(=O)Nc1cccc(CN[C@H](C)c2cccs2)c1	159893243	VHMDBOZCZCDIQR-CYBMUJFWSA-N	302.443	4.338	70	20	DIID	
Cc1ccc(CN(C)C(=O)Nc2ccnc(C)c2Cl)s1	159981986	RLNUTYGVQQHLHT-UHFFFAOYSA-N	309.822	4.077	70	20	DIID	
CC[C@@H](CN[C@H](C)c1cncs1)Oc1ccccc1Cl	160439407	GDJGNJWKVKBBSN-NEPJUHHUSA-N	310.850	4.305	70	20	DIID	
C[C@H](c1ccc(Cl)cc1)N(C)C[C@@](C)(O)c1ccccc1	217825043	RYJKETWIXQZGDW-RDTXWAMCSA-N	303.833	4.241	70	20	DIID	
C[C@H](Nc1ccccc1O[C@@H]1CCOC1)c1cccc(F)c1	159934661	CYCVAFCMZLYPIQ-XJKSGUPXSA-N	301.361	4.167	70	20	DIID	
Cc1cccc(C(C)C)c1NC(=O)CN1CC[C@@H]2CCCC[C@@H]21	159673005	CFCQBTMZABKJAC-WMZOPIPTSA-N	314.473	4.321	70	20	DIID	
CCCOc1ccc(NC(=O)N2CC[C@H](C)[C@H](C)C2)c(C)c1	159778296	MLJWPNFETUHOKO-DZGCQCFKSA-N	304.434	4.294	70	20	DIID	
C[C@H]1CCN(C(=O)Nc2cccc(-c3nccs3)c2)C[C@H]1C	159854667	GXZDNPVMJJIFIS-QWHCGFSZSA-N	315.442	4.320	70	20	DIID	
CCC[C@@]1(C)CCCN(CC2CCN(C(=O)C(C)(C)C)CC2)C1	159923382	OLUWGLHZSUXSKF-FQEVSTJZSA-N	322.537	4.173	70	20	DIID	
CC[C@H](NC(=O)CC[C@@H](C)c1ccccc1)c1c(C)noc1C	160100288	OVRANLVFDFAIPK-DYVFJYSZSA-N	314.429	4.443	70	20	DIID	
CN(Cc1ccsc1)C(=O)c1cncc(-c2ccccc2)c1	160126979	VDIOCYPSPCRUBU-UHFFFAOYSA-N	308.406	4.082	70	20	DIID	
CCc1cc(C(=O)N[C@@H](CC)c2c(C)noc2C)sc1C	160219672	IZMHKDZCAKQDPL-ZDUSSCGKSA-N	306.431	4.105	70	20	DIID	
Cc1nc(C(C)(C)C)sc1[C@H](C)N[C@@H]1CCC[C@H](N(C)C)C1	161100582	JWSOBSVBJVRDKN-CFVMTHIKSA-N	323.550	4.272	70	20	DIID	
O=C(c1cc2ccccc2cc1O)N1CCCc2ccccc21	218276697	CUZJAXDYKRXKKX-UHFFFAOYSA-N	303.361	4.138	70	20	DIID	
CCc1noc(C)c1CNc1cccc(C(=O)c2ccccc2)c1	159429523	KQGIIIKZJNQCCW-UHFFFAOYSA-N	320.392	4.389	70	20	DIID	
CCOc1ccc(Cl)cc1CCN[C@@H](C)c1ccncc1	160008782	LSHLWQJFGIWLBE-ZDUSSCGKSA-N	304.821	4.027	70	20	DIID	
OCC1(CN[C@@H]2CCSc3ccc(Cl)cc32)CCCC1	160075085	ZGSGHYUTEWCSPT-CQSZACIVSA-N	311.878	4.019	70	20	DIID	
CC1CCN(c2ccc(CN[C@@H](C)c3cccs3)cn2)CC1	160482415	ITDCVQSGLFCJOH-HNNXBMFYSA-N	315.486	4.230	70	20	DIID	
CC[C@H](NC(=O)C[C@@H](C)c1ccccc1)c1c(C)noc1C	160578506	QKIVUSPAEFMHLE-WBMJQRKESA-N	300.402	4.053	70	20	DIID	
Cc1[nH]c2ccc(Cl)cc2c1C(=O)N(CC(F)F)C(C)C	159689846	NYAYSHOUZMXUNK-UHFFFAOYSA-N	314.763	4.245	70	20	DIID	
CCCCn1ncc(NC(=O)N2C[C@H](C)CCC[C@@H]2C)c1C	159864869	NVUFGVNCLATHFE-KGLIPLIRSA-N	306.454	4.034	70	20	DIID	
CSC[C@H](CCO)N[C@@H](C)c1ccc(-c2cccs2)cc1	160183589	DFSGEYXPULCCBU-BBRMVZONSA-N	321.511	4.180	70	20	DIID	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCC1(c2ccccc2)CC1	160212220	LVWAYPVYJKPINB-CVEARBPZSA-N	311.450	4.008	70	20	DIID	
CC(C)C[C@H](C)Oc1cc(CN[C@@H](C)c2ccco2)ccn1	160822973	VXRYGGYRJGFJKG-GJZGRUSLSA-N	302.418	4.339	70	20	DIID	
C[C@H](CC(=O)Nc1ccccc1CC(F)(F)F)c1ccncc1	160853530	BVSYAERIUNZLEJ-GFCCVEGCSA-N	322.330	4.319	70	20	DIID	
CC1(C)CCCC[C@H]1CC(=O)NC1CCN(C2CCCC2)CC1	160953483	UPEMMOZLNJZEFH-INIZCTEOSA-N	320.521	4.116	70	20	DIID	
Cc1ocnc1C(=O)N1CCCC[C@@H]1c1ccc(C(C)C)cc1	160368647	GYECTTBFNOAZNX-QGZVFWFLSA-N	312.413	4.474	70	20	DIID	
COc1ccc([C@H](C)NCc2ccc(C)nc2)c2ccccc12	161277817	ODTYKHUYODLKPL-HNNXBMFYSA-N	306.409	4.403	70	20	DIID	
CC[C@H](CNC(=O)c1cc2ccccc2nc1C)c1ccccc1	217470075	RNMXPAGXTWLHOI-MRXNPFEDSA-N	318.420	4.467	70	20	DIID	
C[C@H](CCn1cccn1)Nc1cccc(N2CCCCCC2)c1	159469204	UVTAIUYUUUAPMG-QGZVFWFLSA-N	312.461	4.154	70	20	DIID	
CCc1ccc(CN(C(=O)C[C@@H](C)c2ccncc2)C2CC2)cc1	159515502	HLWMQFJTDBCDHJ-MRXNPFEDSA-N	322.452	4.329	70	20	DIID	
CC(C)Oc1cccc([C@H](C)NC(=O)N2CCC3(CCC3)C2)c1	160361284	CZPUOYFQMRLYQX-HNNXBMFYSA-N	316.445	4.120	70	20	DIID	
CC(C)N(CC1CCN(C(=O)C(C)(C)C)CC1)c1ccccc1	160368716	NCCJKGNDTTUWGP-UHFFFAOYSA-N	316.489	4.186	70	20	DIID	
C[C@@H](OC(=O)c1cc2c(s1)CCOC2)c1ccc(Cl)cc1	216817854	DLDWVLJUUMZTFY-SNVBAGLBSA-N	322.813	4.392	70	20	DIID	
Cc1ccccc1N(CC[S@](=O)c1ccccc1)C(C)C	216926750	SBSAPBFCNOPSEV-NRFANRHFSA-N	301.455	4.018	70	20	DIID	
CC(=O)c1ccccc1OCCN1CCC[C@@H]1c1ccccc1	218019273	LEMOUTMTWRISNC-LJQANCHMSA-N	309.409	4.105	70	20	DIID	
COc1ccc(N(C)C(=O)c2ccc(C)c(F)c2)cc1Cl	160055718	APSOLCNQROYDLF-UHFFFAOYSA-N	307.752	4.073	70	20	DIID	
Cc1ccc([C@H](C)NC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)o1	160169140	OSRSDDJEZYRLSS-SRVKXCTJSA-N	303.324	4.134	70	20	DIID	
Cc1[nH]c2ccccc2c1CC(=O)N[C@H]1CCCc2sccc21	160402350	LUIIALJKVUMFED-KRWDZBQOSA-N	324.449	4.274	70	20	DIID	
CC(C)c1ccc(CCCNC(=O)C[C@@H](C)c2ccncc2)cc1	160641829	LOUSKCKUFYHLTC-QGZVFWFLSA-N	324.468	4.448	70	20	DIID	
C[C@@H](CC(=O)N1CCc2c(F)cccc2C1)c1ccccc1F	160834958	ORCKTSDLSQNQMG-ZDUSSCGKSA-N	315.363	4.043	70	20	DIID	
Cc1ccc(C(=O)N2CC[C@@H](Oc3ccccc3Cl)C2)s1	161246352	LYBPYKSTPKEXOM-GFCCVEGCSA-N	321.829	4.003	70	20	DIID	
Cc1ccc(-c2n[nH]c(NC(=O)C[C@@H](C)c3ccccc3)c2C)o1	161365967	FAMXJLSFTVFZDD-GFCCVEGCSA-N	323.396	4.419	70	20	DIID	
Clc1cc(Nc2ccc3ncsc3c2)nc(C2CC2)n1	217973174	MGYNKBSHICHDFI-UHFFFAOYSA-N	302.790	4.361	70	20	DIID	
CCCCSCCC(=O)Nc1cc(F)ccc1OC(F)F	159414626	YHVNGLBYCMUHEE-UHFFFAOYSA-N	321.364	4.289	70	20	DIID	
Cc1ccc(-c2nc(C)c([C@H](C)NCCC(C)(C)O)s2)cc1	159841265	KQNMQFVNHUOFQS-ZDUSSCGKSA-N	318.486	4.239	70	20	DIID	
CC(C)c1cc(N[C@@H]2CCO[C@@H](C3CC3)C2)nc(C(C)C)n1	160269549	JERWPLLNOKIRLC-GDBMZVCRSA-N	303.450	4.093	70	20	DIID	
Cc1ccc(Cl)c(NC(=O)c2cncc(OC(C)C)c2)c1	160778302	BDAUQRLWFJQCGA-UHFFFAOYSA-N	304.777	4.083	70	20	DIID	
CC(C)c1ccc(NC(=O)NCCCOc2ccccc2)cc1	217299640	VZVOVYVPSKTTDV-UHFFFAOYSA-N	312.413	4.401	70	20	DIID	
CCN(C(=O)c1cc2ccccc2cc1O)c1ccc(F)cc1	218388501	OZYVCZUFSFLOPR-UHFFFAOYSA-N	309.340	4.351	70	20	DIID	
C[C@H](NCCO)c1ccc(-c2ccc(C(F)(F)F)cc2)s1	159688481	UKDQLNMPRMOWCU-JTQLQIEISA-N	315.360	4.077	70	20	DIID	
CCOc1ccc([C@@H](C)N[C@@H](CCCO)c2ccccc2)cc1	160894220	JZNCJXBXVJDXIA-UZLBHIALSA-N	313.441	4.250	70	20	DIID	
CCOc1ccc(C(F)(F)F)cc1NC(=O)C[C@H](C)SC	161085872	JOQUKHSNLZIVCY-VIFPVBQESA-N	321.364	4.184	70	20	DIID	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1F	159555365	RLICEAOLIBGHDN-BPNCWPANSA-N	321.392	4.316	70	20	DIID	
Cc1nc(C(C)C)sc1[C@@H](C)NC[C@@](C)(O)c1ccsc1	159924046	QTRIYIDBQGCSSY-BDJLRTHQSA-N	324.515	4.195	70	20	DIID	
CCOc1ccc([C@@H]2CCCN2C(=O)c2[nH]c(C)cc2C)cc1	160013742	IOTYVCMIEUEQDC-KRWDZBQOSA-N	312.413	4.008	70	20	DIID	
COc1cc(CCC(=O)N(C)[C@@H](C)c2ccco2)ccc1Cl	161135555	DNJCXVYTZZQGGG-LBPRGKRZSA-N	321.804	4.094	70	20	DIID	
COCc1ccc([C@H]2CCCN2C(=O)C2CCC(C)(C)CC2)o1	161445771	DCZTXQBSMLCDRP-MRXNPFEDSA-N	319.445	4.306	70	20	DIID	
CCOC(=O)c1ccc(NCc2ccnc3ccccc23)cc1	216864902	RCSLDKFYTVPYAM-UHFFFAOYSA-N	306.365	4.024	70	20	DIID	
COc1cc(Cl)c(C)cc1NC(=O)NCc1cccc(C)c1	217314556	CTCKCLHOJKETSO-UHFFFAOYSA-N	318.804	4.287	70	20	DIID	
Cc1cc(NC(=O)C[C@H](C)c2ccncc2)ccc1OC(C)C	160815888	YKXUUUNUSRJSMP-AWEZNQCLSA-N	312.413	4.310	70	20	DIID	
C[C@@H](CC(=O)N1c2ccccc2SC[C@H]1C)c1ccncc1	161299353	BHCWOKQUPKCXCS-UONOGXRCSA-N	312.438	4.103	70	20	DIID	
Cc1nc(-c2ccc(NC(=O)c3ccccc3O)cc2)cs1	217487301	CGASSFYTLVOZIB-UHFFFAOYSA-N	310.378	4.076	70	20	DIID	
CCc1sc(C(=O)N(C)c2ccc(OC)c(F)c2)cc1C	159600748	DVJBYFKCAATHRH-UHFFFAOYSA-N	307.390	4.043	70	20	DIID	
Cc1cc(C(=O)N2C[C@H](C)CSc3ccccc32)c(C)o1	159701299	HHTPWCJVUNHWTR-NSHDSACASA-N	301.411	4.285	70	20	DIID	
COc1cc(Nc2nc(Cl)nc3ccccc23)ccc1F	160489791	AWMVLPNVNHJWAL-UHFFFAOYSA-N	303.724	4.175	70	20	DIID	
CC[C@H](NCc1ccc(C)nc1)c1ccccc1Br	161329541	UZMCPXGWESYEOL-INIZCTEOSA-N	319.246	4.393	70	20	DIID	
CCC(=O)c1cccc(NC(=O)c2cn(C)c3ccccc23)c1	161330492	UCJXQHNUFRZZKQ-UHFFFAOYSA-N	306.365	4.023	70	20	DIID	
CCOC(=O)[C@H](Oc1ccc(F)c(Cl)c1)c1ccccc1	217826734	JIEUUFSISPFTCV-OAHLLOKOSA-N	308.736	4.162	70	20	DIID	
CC(C)CC[C@H](C)NC(=O)NCc1csc(-c2ccco2)n1	160658480	OLOUCOFDRCUWIX-LBPRGKRZSA-N	321.446	4.027	70	20	DIID	
COc1ccc(NC(=O)C23C[C@H]4C[C@@H](CC(F)(C4)C2)C3)c(C)c1	161257919	GAGJEBTUWOCKHQ-CXTCDGGRSA-N	317.404	4.251	70	20	DIID	
Fc1cccc([C@H]2CN(Cc3ccc(Cl)cc3)CCO2)c1	216705933	HQZFASQUDVVHTF-QGZVFWFLSA-N	305.780	4.053	70	20	DIID	
CCc1noc(C)c1CSCc1csc([C@H](C)OC)n1	159824107	XMYZADJWPLFUSL-JTQLQIEISA-N	312.460	4.143	70	20	DIID	
CC(C)c1ccc(C(=O)N(Cc2cccs2)C2CC2)cn1	160898130	UDVMIRLOGOGXJY-UHFFFAOYSA-N	300.427	4.071	70	20	DIID	
C[C@@H](c1ccccc1)N(C)C(=O)c1cc2ccccc2cc1O	216626295	AMGNZZFUDXLPKC-AWEZNQCLSA-N	305.377	4.379	70	20	DIID	
CCOc1ccccc1CNC(=O)C[C@H](C)c1ccccc1C	217218258	TUTBYWRQUNDTAM-INIZCTEOSA-N	311.425	4.204	70	20	DIID	
Cc1n[nH]c(C)c1[C@H](C)CC(=O)N[C@H](CCC(C)C)C(C)(C)C	159977450	VSAPPHKCFUTBBU-CZUORRHYSA-N	321.509	4.487	70	20	DIID	
CCCn1nccc1CNc1ccc(F)c(C(F)(F)F)c1	160114185	DLCLJXRTWWDHFC-UHFFFAOYSA-N	301.287	4.063	70	20	DIID	
C[C@H]1C[C@H](N[C@@H]2CCC[C@H](N(C)C)C2)c2ccsc2S1	161049384	YXDFZXFXMDVLAA-XFMPKHEZSA-N	310.532	4.136	70	20	DIID	
Cc1ccccc1N(CC(=O)Nc1ccc(F)cc1F)C(C)C	216925731	YHGBSSCCEDTEEP-UHFFFAOYSA-N	318.367	4.127	70	20	DIID	
CC[C@H](N[C@@H]1CCSc2ccc(Cl)cc21)[C@H]1CCOC1	159467510	PRYJNDJMNKGXIY-TUKIKUTGSA-N	311.878	4.282	70	20	DIID	
C[C@@H](NCCO)c1ccc(-c2ccc(C(F)(F)F)cc2)s1	159688620	UKDQLNMPRMOWCU-SNVBAGLBSA-N	315.360	4.077	70	20	DIID	
CC[C@@H](NC(=O)Cc1cccc2ccccc12)c1c(C)noc1C	160062825	KFXIVRCLKDNDGH-GOSISDBHSA-N	322.408	4.255	70	20	DIID	
C[C@H](c1cccs1)N(C)C(=O)Cc1c[nH]c2cc(F)ccc12	160500450	UZJVFRRETCEDTB-LLVKDONJSA-N	316.401	4.131	70	20	DIID	
Cc1cccc(F)c1NS(=O)(=O)c1ccc(C(C)C)cc1	160831964	KNSLZBFNYAGMIJ-UHFFFAOYSA-N	307.390	4.058	70	20	DIID	
CCc1ccc(NC(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)cc1	161017123	JGSDMWUQPYELQH-RBUKOAKNSA-N	324.424	4.291	70	20	DIID	
CC[C@@H]1CCCC[C@H]1N(C)C(=O)c1occc1Br	161200032	VDMBBILMQJZJOQ-ZYHUDNBSSA-N	314.223	4.083	70	20	DIID	
Cc1noc(C)c1[C@H](C)CC(=O)NC1CCC(C(C)C)CC1	159821757	WSMLEMPSWSTTIC-UWTIGNOOSA-N	306.450	4.116	70	20	DIID	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCC1(c2ccccc2)CC1	160212478	LVWAYPVYJKPINB-HZPDHXFCSA-N	311.450	4.008	70	20	DIID	
FC(F)(F)c1cnc(N[C@H]2CCO[C@H](C3CC3)C2)c(Cl)c1	160385921	NEWJRPNQUXMVER-JQWIXIFHSA-N	320.742	4.123	70	20	DIID	
C[C@H](c1ccco1)N(C)C(=O)NCC1(Cc2ccccc2)CC1	160783995	OPFDLGQLMNGOOD-OAHLLOKOSA-N	312.413	4.005	70	20	DIID	
CC(C)C[C@H](C)Oc1cc(CN[C@H](C)c2ccco2)ccn1	160823259	VXRYGGYRJGFJKG-LSDHHAIUSA-N	302.418	4.339	70	20	DIID	
CCSc1cc(C(=O)N2CCc3c(Cl)cccc32)ccn1	161447260	VZNFHQNIWFVYHS-UHFFFAOYSA-N	318.829	4.050	70	20	DIID	
CS[C@@H](C)C(=O)Nc1ccc(Oc2cccc(C)c2C)nc1	217209296	DOCKBFPAWKNQSR-ZDUSSCGKSA-N	316.426	4.181	70	20	DIID	
O=C(OCc1cc2ccccc2o1)[C@@H]1CSc2ccccc21	217232968	WYDCVPDRNUBCRZ-OAHLLOKOSA-N	310.374	4.366	70	20	DIID	
Cc1cc(C(=O)COc2c(F)c(F)cc(F)c2F)c(C)s1	218477491	MHXAHNCAEAQWFY-UHFFFAOYSA-N	318.291	4.183	70	20	DIID	
O=C(OCc1cc2ccccc2o1)c1cc(F)c(F)c(F)c1F	218513207	PUUSRTIQAMGBMV-UHFFFAOYSA-N	324.229	4.346	70	20	DIID	
CC[C@H](CC(=O)N[C@@H](C[C@@H]1CCOC1)c1ccccc1)C(C)C	159560411	WWKWAOXHROTIOA-SCTDSRPQSA-N	317.473	4.343	70	20	DIID	
O=C(CCc1ccc(F)cc1F)N[C@H]1CCCc2sccc21	160066850	IWIDFGYBKRUXST-HNNXBMFYSA-N	321.392	4.153	70	20	DIID	
CC[C@H](NC(=O)C[C@@H](CC)c1ccccc1)c1c(C)noc1C	160304350	XFKHYKOFGPPSJA-WBVHZDCISA-N	314.429	4.443	70	20	DIID	
Cc1cc([C@H](C)NC(=O)Nc2ccn(CCC(C)C)n2)c(C)o1	160537920	VFPRDKAHTMXLPI-ZDUSSCGKSA-N	318.421	4.022	70	20	DIID	
O=C(Nc1ccc(OC(F)F)cc1)N1CC[C@@H]2CCCC[C@@H]21	160608293	FAPAOZPNVOHPSF-FZMZJTMJSA-N	310.344	4.084	70	20	DIID	
Cc1ccc(CNC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1	217315131	MRJMVYAANCHAHB-INIZCTEOSA-N	322.452	4.434	70	20	DIID	
C[C@H]1CCC[C@@H](C(=O)NCc2csc(-c3ccccc3)n2)C1	159444598	SOBKQYJWOYEIEE-DZGCQCFKSA-N	314.454	4.253	70	20	DIID	
C[C@H](CC(=O)NCc1cccc2ccccc12)c1ccncc1	159504690	ZROSXWAQYBUGBY-OAHLLOKOSA-N	304.393	4.045	70	20	DIID	
C[C@H]1CSc2ccccc2N(C(=O)CC[C@H]2CCCCO2)C1	159677272	VWZUWOJIVDPMKR-HUUCEWRRSA-N	319.470	4.111	70	20	DIID	
CC(C)CN1CCC(N[C@H](C)c2cc3ccccc3o2)CC1	159882439	PAKVQXRPLDIAMD-OAHLLOKOSA-N	300.446	4.204	70	20	DIID	
CCc1noc(C)c1CSCc1ccc(-n2ccnc2)cc1	160034719	RFGYDMZMFUGMOU-UHFFFAOYSA-N	313.426	4.165	70	20	DIID	
CC(C)C[C@@H](NCc1ccc(OC(C)C)nc1)c1ccccn1	160039290	IKBMUGODJGZNBI-GOSISDBHSA-N	313.445	4.141	70	20	DIID	
CC[C@@H](C)Oc1ccc(NC(=O)C[C@H](C)c2ccncc2)cc1	160214507	IOGMWKUHOALJQH-LSDHHAIUSA-N	312.413	4.391	70	20	DIID	
C[C@H](CC(=O)NCCCCCc1ccccc1)c1ccncc1	160388441	SZWCILATDRFFPL-QGZVFWFLSA-N	310.441	4.104	70	20	DIID	
Fc1cc(Cl)cc(NCc2ccc(-n3cccn3)cc2)c1	217529012	DOXXGMXWDBDKLT-UHFFFAOYSA-N	301.752	4.277	70	20	DIID	
CCCC(CCC)C(=O)NC[C@H](OC)c1ccccc1Cl	218311775	WVGZOJDAFSYFNC-INIZCTEOSA-N	311.853	4.360	70	20	DIID	
C[C@H]1CSc2ccccc2N(C(=O)c2ccc(F)c(F)c2)C1	159486337	ZWXCSCMCRHLRFI-LLVKDONJSA-N	319.376	4.353	70	20	DIID	
O=C(CCc1cccc(F)c1F)N[C@@H]1CCCc2sccc21	159840946	ACAIADDXRLWDAA-CQSZACIVSA-N	321.392	4.153	70	20	DIID	
COc1ccc(N(C)C(=O)c2ccccc2Cl)cc1Cl	160042257	HOSIKQKZEMPMDR-UHFFFAOYSA-N	310.180	4.279	70	20	DIID	
CC(C)Oc1ccc(CN[C@@H]2c3cc(F)ccc3C[C@H]2C)cn1	160110390	KQAUUQIIONPOAL-YJYMSZOUSA-N	314.404	4.031	70	20	DIID	
CC[C@H](NC(=O)c1cc2cc(F)ccc2o1)c1c(C)noc1C	160258842	SWVFQJPMWOTOIQ-ZDUSSCGKSA-N	316.332	4.058	70	20	DIID	
CC(C)c1ccc([C@H]2CCCCN2C(=O)c2cnns2)cc1	160400630	OADQUMRSZNSYFG-OAHLLOKOSA-N	315.442	4.029	70	20	DIID	
CCSc1cc(Cl)ccc1C(=O)N[C@@H]1CCCSC1	160774940	MVCFUUUQRANPKS-LLVKDONJSA-N	315.891	4.077	70	20	DIID	
Cc1ccccc1[C@H](C)SCc1cc(=O)n2ccsc2n1	161037744	ZLISAZVJUSHWAH-LBPRGKRZSA-N	316.451	4.059	70	20	DIID	
COc1cccc([C@@H](CN[C@@H](C)c2ccccc2)N2CCCC2)c1	216667075	XGAVUSLOUUHUCK-LAUBAEHRSA-N	324.468	4.183	70	20	DIID	
CC(C)n1cc([C@@H](C)N[C@@H]2CCSc3ccc(F)cc32)cn1	159451251	JIHGEECVIRGEMA-MLGOLLRUSA-N	319.449	4.491	70	20	DIID	
Cc1csc([C@H](Nc2nc(C(C)(C)C)ns2)C2CC2)n1	159655410	XJQWUYZUYIMQGL-SNVBAGLBSA-N	308.476	4.164	70	20	DIID	
CCCCCc1nnc(NC(=O)c2ccc(C(C)C)nc2)s1	159738703	LLTJPIXOOOKHBM-UHFFFAOYSA-N	318.446	4.042	70	20	DIID	
Cc1ccc(CCNC(=O)N(C)Cc2cccc(Cl)c2)cc1	217225271	HDPQCCPLDVFDRA-UHFFFAOYSA-N	316.832	4.033	70	20	DIID	
CC[C@@H](CNC(=O)[C@H]1CSc2ccccc21)c1ccccc1	217232962	AHAGBXDLEGXCGM-YOEHRIQHSA-N	311.450	4.186	70	20	DIID	
CCCCn1ncc(NC(=O)N(C)Cc2ccc(C)s2)c1C	160147508	YOEGWTVRLHPVCE-UHFFFAOYSA-N	320.462	4.025	70	20	DIID	
Cc1nc2c(s1)[C@H](NCCc1ccc(Cl)s1)CCC2	160380204	GXFBLVJCQVNEPF-LLVKDONJSA-N	312.891	4.376	70	20	DIID	
C[C@H](NCCc1csc(-c2ccccc2)n1)c1cccnc1	160387967	HYNQAUOUKKANTC-AWEZNQCLSA-N	309.438	4.098	70	20	DIID	
Cc1cc(NC(=O)c2c(F)cc(F)cc2F)c2ccccc2n1	160955684	WNNLYXWBNIQSAK-UHFFFAOYSA-N	316.282	4.213	70	20	DIID	
COCCCCC(=O)N1CCCC[C@H]1CCCc1ccccc1	161344196	AUCFAPNJMDBQOI-IBGZPJMESA-N	317.473	4.207	70	20	DIID	
CN1CCC(N[C@@H](CCc2ccccc2)c2ccccc2)CC1	161493318	DOKIXNCFKBQUOK-NRFANRHFSA-N	308.469	4.044	70	20	DIID	
CCc1ccc(CSCC(=O)Nc2cc(F)ccc2F)cc1	217229449	RBTFWZCUKBUCAZ-UHFFFAOYSA-N	321.392	4.399	70	20	DIID	
CC[C@H](NC(=O)C[C@@H]1CCCCC1(C)C)c1c(C)noc1C	160427326	BRMRABSROOKFTJ-GJZGRUSLSA-N	306.450	4.465	70	20	DIID	
Cc1ccc(C)c(NC(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)c1	160916152	SODUCVOFUQISLV-IEBWSBKVSA-N	324.424	4.345	70	20	DIID	
Cc1cc(NC(=O)[C@@H](OC(C)(C)C)c2ccccc2)ccc1O	161107613	ZTZDOIMSQGHQTH-KRWDZBQOSA-N	313.397	4.196	70	20	DIID	
C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)C(=O)c1ccc(N)cc1	161453980	DNNKPSUNMCHXAW-STQMWFEESA-N	316.832	4.186	70	20	DIID	
Cc1cc(C)cc(NC(=O)NCCc2ccc(Cl)cc2)c1	217308606	VKBFFAADPUIQHA-UHFFFAOYSA-N	302.805	4.321	70	20	DIID	
COc1ccc(N(C)C(=O)CCc2ccccc2Cl)cc1F	159477243	ZGSBKXMQTXXDCA-UHFFFAOYSA-N	321.779	4.083	70	20	DIID	
CC[C@@H]1CCC[C@@H](N[C@@H](C)c2ccc(S(=O)(=O)CC)cc2)C1	159628590	OBXLMFUKURJZJT-ZMSDIMECSA-N	323.502	4.100	70	20	DIID	
CCC[C@@H](C(=O)Nc1ccccc1NC(=O)NC(C)C)C(C)C	159791991	FEQDYBLMCAMAKG-CQSZACIVSA-N	319.449	4.227	70	20	DIID	
CC(C)(C)NC(=O)c1cccc(NCc2cccc3[nH]ccc23)c1	160233066	UQXZBSWKSQOVMR-UHFFFAOYSA-N	321.424	4.308	70	20	DIID	
Cc1ccc(NC(=O)C2CCC(C)(C)CC2)c(CN(C)C)c1	160397506	BZBBHCGTEVXBQY-UHFFFAOYSA-N	302.462	4.212	70	20	DIID	
Cc1cccc2ncnc(N[C@H]3CCO[C@H](c4ccccc4)C3)c12	160570343	IIJCGSGQWQDYQG-WMZOPIPTSA-N	319.408	4.270	70	20	DIID	
COc1cc(F)c(C(=O)Nc2ccc(C(C)C)cc2)cc1OC	161210226	BTXKUKDUXBAXAB-UHFFFAOYSA-N	317.360	4.219	70	20	DIID	
CCOc1ccc(CNC(=O)Nc2cccc(Cl)c2C)cc1	217300719	AJUBUXNSNUXQJI-UHFFFAOYSA-N	318.804	4.369	70	20	DIID	
CCc1noc(C)c1CSCc1cc(-c2ccco2)on1	159760804	MFBBYQDFZDEHHN-UHFFFAOYSA-N	304.371	4.227	70	20	DIID	
CC(C)CC[C@@H]1CCCN1CC1CCN(C(=O)C(C)(C)C)CC1	160301087	OPPUBHUUESDAKV-SFHVURJKSA-N	322.537	4.172	70	20	DIID	
CCC(C)(C)C(=O)N[C@H](C)c1noc(-c2ccc(Cl)cc2)n1	160310459	QFCCPDXDBSNJNR-SNVBAGLBSA-N	321.808	4.003	70	20	DIID	
C[C@@H](CC(=O)N[C@@H]1CCOC2(CCCCC2)C1)c1ccccc1	160966841	TZZGKNZYRSNGEB-FUHWJXTLSA-N	315.457	4.178	70	20	DIID	
CC[C@@H](CC(=O)N1CCC[C@H]1c1ccc(COC)o1)C(C)C	161203440	HBVDWBIKUWRFHP-HOCLYGCPSA-N	307.434	4.162	70	20	DIID	
CC[C@H]1c2ccccc2CCN1C(=O)Nc1cnn(C(C)C)c1	161509543	RSDOOENHNXAEAZ-KRWDZBQOSA-N	312.417	4.005	70	20	DIID	
C[C@@H]1CCN(C(=O)Nc2cccc(OC(F)F)c2)C[C@H](C)C1	159894662	HKRMSDCWTSNZMU-VXGBXAGGSA-N	312.360	4.188	70	20	DIID	
Cc1ccccc1NC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1	160929258	PHPWUFKCIIRXLB-AEFFLSMTSA-N	310.397	4.037	70	20	DIID	
C[C@@H]1CSc2ccccc2N(C(=O)c2cccc(F)c2F)C1	159634675	DJJHTHWTXZNHIM-NSHDSACASA-N	319.376	4.353	70	20	DIID	
Cc1cc(F)c(C(=O)Nc2ccccc2N2CCCC2)cc1F	159828306	WVNPVCICUPAPBR-UHFFFAOYSA-N	316.351	4.126	70	20	DIID	
O=C(CCC1CCCC1)CSc1nncc2ccccc12	160244120	PRTOIEUANDUGOW-UHFFFAOYSA-N	300.427	4.261	70	20	DIID	
Cc1cc(F)ccc1-c1ccc(CN[C@@H]2CCOC(C)(C)C2)o1	160456035	RAPVILQCWNHDSH-OAHLLOKOSA-N	317.404	4.441	70	20	DIID	
CC(C)(CNC(=O)c1ccnc2ccccc12)c1cccs1	217194667	SIULVMGBEXLFIH-UHFFFAOYSA-N	310.422	4.004	70	20	DIID	
CC(C)c1ccccc1NC(=O)C[C@H](C)N[C@@H]1CCCSC1	159552872	CSKBZSYSUCYOTM-LSDHHAIUSA-N	320.502	4.012	70	20	DIID	
CCc1nc(C)c([C@H](C)NC2CCN(C3CCCC3)CC2)s1	160460112	KLMJWNLJAWVXKZ-ZDUSSCGKSA-N	321.534	4.072	70	20	DIID	
Cc1ccnc(Oc2cc(NC(=O)NC3CC=CC3)ccc2C)c1	161456085	QHIQBFMURYYIFM-UHFFFAOYSA-N	323.396	4.331	70	20	DIID	
C[C@H](N[C@@H](C)c1ccccn1)c1ccc(OCC2CC2)c(F)c1	159374225	SKNWSSZYMXLLCA-KBPBESRZSA-N	314.404	4.421	70	20	DIID	
Cc1cc(Cl)ccc1NC(=O)COc1ccc2[nH]ccc2c1	160018189	DXNQPMMZOFTUID-UHFFFAOYSA-N	314.772	4.147	70	20	DIID	
c1ccc(-c2cnc(N[C@@H]3CCO[C@@H](C4CC4)C3)s2)cc1	160324064	PKGOLXRWJVXJER-HUUCEWRRSA-N	300.427	4.180	70	20	DIID	
CSc1cc(C(=O)Nc2ccc(N(C)C)cc2C)ccc1F	159397798	JYZGZIYYPLHXOV-UHFFFAOYSA-N	318.417	4.174	70	20	DIID	
C[C@H](C(=O)N[C@@H]1CCCc2sccc21)c1cccc(F)c1	159848077	DECIYYHDXROMAM-XHDPSFHLSA-N	303.402	4.185	70	20	DIID	
O=C(N[C@H]1CCCc2sccc21)c1cccc(F)c1Cl	159912207	RYPMBLKYBRVTCN-LBPRGKRZSA-N	309.793	4.348	70	20	DIID	
CCC[C@H](NCc1cccc(C(=O)NCC)c1)c1ccccc1	160155541	SHMWDIZAQCCTQJ-IBGZPJMESA-N	310.441	4.067	70	20	DIID	
CCc1sc(C(=O)N[C@H]2CCOC3(CCCCC3)C2)cc1C	160372646	JPYAPXDQQYFYOO-AWEZNQCLSA-N	321.486	4.231	70	20	DIID	
C[C@@H](CCC1CCCCC1)NC(=O)C[C@@H](C)c1ccncc1	160618940	OJOQSEICOIPCLK-CVEARBPZSA-N	302.462	4.440	70	20	DIID	
COc1ccc([C@H](C)NCCCOc2ccc(F)cc2)cc1F	216769856	FYEYULHLMMVRJV-ZDUSSCGKSA-N	321.367	4.093	70	20	DIID	
CCCCn1ncc(NC(=O)N2CCC[C@H](C)[C@H]2CCC)c1C	159779100	QNBZINPBXHKHPM-WMLDXEAASA-N	320.481	4.424	70	20	DIID	
Cc1csc(N(CC(F)(F)F)C(=O)C[C@H]2CC[C@H](C)C2)n1	160514779	YUQIQNGFUWWHJB-ONGXEEELSA-N	320.380	4.173	70	20	DIID	
Cc1csc(N(CC(F)(F)F)C(=O)C[C@H]2CC[C@@H](C)C2)n1	160514971	YUQIQNGFUWWHJB-KOLCDFICSA-N	320.380	4.173	70	20	DIID	
CC[C@H](C(=O)N[C@H](C)CC(=O)c1cccs1)c1ccccc1	161015193	XVRJUBYXCXKVFX-HIFRSBDPSA-N	315.438	4.019	70	20	DIID	
Cc1ccc(NC(=O)c2cccc(OCc3nccs3)c2)cc1	161313713	MJAQKZGYHMQRIX-UHFFFAOYSA-N	324.405	4.283	70	20	DIID	
O=C(NCC1CCCCC1)Nc1ccc(C(F)(F)F)cc1	217607471	CVOSJNARSZEKIM-UHFFFAOYSA-N	300.324	4.407	70	20	DIID	
Cc1cc(C(=O)NCCc2cc3ccccc3[nH]2)c(C)n1C(C)C	159503472	AVAXQNVHFAKADS-UHFFFAOYSA-N	323.440	4.140	70	20	DIID	
CC[C@@H](CC(=O)N[C@H]1CCOC2(CCCC2)C1)c1ccccc1	159881636	QNSQBTFDZYZZMI-WMZOPIPTSA-N	315.457	4.178	70	20	DIID	
CC[C@H](NC(=O)C[C@@H](C)c1ccccc1C)c1c(C)noc1C	160203095	HINZRJDHMOZUHJ-DYVFJYSZSA-N	314.429	4.361	70	20	DIID	
CC[C@H]1CCCC[C@@H]1N(C)C(=O)c1coc(Br)c1	160802571	AVIWBPYCKXFBEX-JQWIXIFHSA-N	314.223	4.083	70	20	DIID	
C[C@H](NC[C@H](Cc1ccccc1)c1ccccc1)C1CCOCC1	161258405	HYHFCNGYHAZKBB-AVRDEDQJSA-N	323.480	4.418	70	20	DIID	
Cc1cccc(-c2cncc(C(=O)Nc3cccc(C)n3)c2)c1	159530240	MZBHNEQTSALXJV-UHFFFAOYSA-N	303.365	4.013	70	20	DIID	
CC(C)c1cc(C(=O)N2CCCC[C@H]2C)nn1-c1ccccc1	159627951	WFXXWUYZWACNRD-OAHLLOKOSA-N	311.429	4.010	70	20	DIID	
Cc1c([C@@H](C)N[C@H](C)c2ccco2)cnn1-c1ccc(F)cc1	160223002	OAAKFAKSFUYFBF-CHWSQXEVSA-N	313.376	4.325	70	20	DIID	
C[C@H](NC1CCN(C2CCCC2)CC1)c1cc(F)cc(F)c1	160486575	LVWYFXSQRPWALI-ZDUSSCGKSA-N	308.416	4.022	70	20	DIID	
CN(Cc1cccc(Cl)c1)Cc1ncccc1C(F)(F)F	161127535	MMUJCQKUYNHYDI-UHFFFAOYSA-N	314.738	4.386	70	20	DIID	
CCCCOc1ccc(OC)cc1NCc1c(CC)noc1C	159389654	DJLIOIOLOHJZOH-UHFFFAOYSA-N	318.417	4.345	70	20	DIID	
Cc1ccc(NC(=O)c2cnn(CC(C)C)c2C)c(Cl)c1	160000393	MWQWFHWCYUIWJD-UHFFFAOYSA-N	305.809	4.062	70	20	DIID	
CN(Cc1ccc(Oc2cnccn2)cc1)Cc1cccc(F)c1	160470740	VGCQBWIVFGSBHU-UHFFFAOYSA-N	323.371	4.040	70	20	DIID	
CC[C@@H](C)OCC(=O)N(C)C1c2ccccc2-c2ccccc21	160488859	BLYFEMKBNIYACP-CQSZACIVSA-N	309.409	4.030	70	20	DIID	
COCc1ccc([C@H]2CCCN2C(=O)c2cccc(Cl)c2)o1	161243254	SWMOZYOSSHRNPM-OAHLLOKOSA-N	319.788	4.057	70	20	DIID	
Cc1cc(OCCCOc2ccc3ccccc3c2)nnc1C	216975536	DALWBKAOAMMSNL-UHFFFAOYSA-N	308.381	4.095	70	20	DIID	
CC[C@@](C)(NC(=O)c1ccc(Cl)cc1C)c1nc(C)cs1	159559117	WJOFKXAVSUGFFC-MRXNPFEDSA-N	322.861	4.469	70	20	DIID	
CC[C@H]1CCCN(C(=O)c2cccc(-c3nc(C)cs3)c2)C1	159718459	LAMDFVUZHOIULF-AWEZNQCLSA-N	314.454	4.381	70	20	DIID	
O=C(CCc1cc(F)ccc1F)N[C@H]1CCCc2sccc21	159996728	FNDFCNUJCVBFHN-HNNXBMFYSA-N	321.392	4.153	70	20	DIID	
COc1cccc(CCCSCCc2c(C)noc2C)c1	160146564	TWNCLSPHAZVNFC-UHFFFAOYSA-N	305.443	4.209	70	20	DIID	
CCC(CC)c1cc(C(=O)N(C)[C@@H](C)c2cccs2)on1	160914112	RFSYCNSKPPRPDI-NSHDSACASA-N	306.431	4.473	70	20	DIID	
COc1cc(Cl)c(C)cc1NC(=O)NCc1ccc(C)cc1	217315206	JEYLJLWABIRLRI-UHFFFAOYSA-N	318.804	4.287	70	20	DIID	
CC1(C)CCC(C(=O)N2CCc3c(F)cc(F)cc3C2)CC1	159448450	ONUUPCYJWIXMFW-UHFFFAOYSA-N	307.384	4.066	70	20	DIID	
CC[C@H](C(=O)N[C@H]1CCCc2occc21)c1ccc(F)cc1	159933109	BFLQGTAIFGJRNR-HOCLYGCPSA-N	301.361	4.106	70	20	DIID	
COc1ccc2cccc(CC(=O)Nc3ccc(O)c(C)c3)c2c1	161108563	DSMHZQHHDUIWDN-UHFFFAOYSA-N	321.376	4.044	70	20	DIID	
Cc1nc2c(cnn2C(C)C)cc1C(=O)O[C@@H](C)c1ccccc1	217052152	VOELYOIVOITABH-AWEZNQCLSA-N	323.396	4.239	70	20	DIID	
Cc1ccc(C(=O)N2C[C@H](C)CSc3ccccc32)s1	159501213	OHRKPMULEAPWHK-NSHDSACASA-N	303.452	4.445	70	20	DIID	
CC(C)c1ccccc1NC(=O)C[C@H](C)N[C@H]1CCCSC1	159553189	CSKBZSYSUCYOTM-GJZGRUSLSA-N	320.502	4.012	70	20	DIID	
O=C(c1cncc(-c2ccccc2)c1)N(C1CCCC1)C1CC1	160994197	RCZAQHMYUXSZDR-UHFFFAOYSA-N	306.409	4.296	70	20	DIID	
c1ccc2sc(SCc3noc4c3CCCC4)nc2c1	217007958	UUMCQYABDIIXEY-UHFFFAOYSA-N	302.424	4.455	70	20	DIID	
Clc1ccccc1-c1nnc(CN2CC[C@@H]3CCCC[C@@H]32)o1	159623117	DCASOFIHLRGKQA-WFASDCNBSA-N	317.820	4.155	70	20	DIID	
CCCC(=O)Nc1cccc(CN[C@H]2c3ccccc3C[C@@H]2C)c1	159892015	HLINMNBJLOSXEI-YCRPNKLZSA-N	322.452	4.448	70	20	DIID	
CC(C)[C@H](NC(=O)N(C)C1CC1)c1ccc(C(F)(F)F)cc1	160408752	MJXZCGZPXRWJQA-AWEZNQCLSA-N	314.351	4.206	70	20	DIID	
CC(C)Oc1ccc(NC(=O)N2CC[C@@H]3CCCC[C@@H]32)cc1	160697228	SEMKPIPJOVKJMU-YOEHRIQHSA-N	302.418	4.270	70	20	DIID	
Cc1cnc([C@@H](NC(=O)C2CCC(C)(C)CC2)C2CC2)s1	160701014	IKQJFTZVORHUEO-AWEZNQCLSA-N	306.475	4.235	70	20	DIID	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N(Cc1cccs1)C1CC1	160953305	WLYGIGWZRUIWBS-CABCVRRESA-N	317.479	4.413	70	20	DIID	
Cc1nc(C(C)C)sc1[C@@H](C)N[C@H]1CCC[C@H](N(C)C)C1	161028162	KNOYUVLQHJDDDB-SNPRPXQTSA-N	309.523	4.098	70	20	DIID	
C[C@H](NC(=O)CCC(C)(C)C)c1nc(-c2ccncc2)cs1	159612863	QKXYKKGDQWBOGS-LBPRGKRZSA-N	317.458	4.209	70	20	DIID	
C[C@@H](CC(=O)N1CCC[C@H]1c1ccsc1)c1ccncc1	160049343	AULRUMNYBATCCX-BBRMVZONSA-N	300.427	4.000	70	20	DIID	
CC[C@H](NC(=O)c1ccc(Cl)c(C)c1)c1c(C)noc1C	160473458	GCMYORZIPYNUND-AWEZNQCLSA-N	306.793	4.134	70	20	DIID	
CCOCCC1(C(=O)N[C@H](C)c2ccccc2Cl)CCC1	160590130	QIOWQIKQBUYAIG-CYBMUJFWSA-N	309.837	4.114	70	20	DIID	
CC[C@H](N[C@H](C)c1nc(C(C)(C)C)no1)c1ccc(F)cc1F	161028683	IISIUEUYPNGYDX-YGRLFVJLSA-N	323.387	4.447	70	20	DIID	
CCc1ccc(NC2CCC(NC(=O)OC(C)(C)C)CC2)cc1	218090618	ZFHATAASXFFUAI-UHFFFAOYSA-N	318.461	4.497	70	20	DIID	
CCCn1nccc1CNc1cc(Cl)cc2cccnc12	160005457	RWPIRYJFWJOGLU-UHFFFAOYSA-N	300.793	4.107	70	20	DIID	
C[C@@H](CC1CCCC1)C(=O)N[C@H]1CCOC2(CCCCC2)C1	160443963	RYPGDGSFTVWZIG-RDJZCZTQSA-N	307.478	4.201	70	20	DIID	
COc1cc(CCC(=O)N2[C@@H](C)CCC[C@H]2C)ccc1Cl	160768005	WRLOTOABCUIUEZ-BETUJISGSA-N	309.837	4.071	70	20	DIID	
CCC(CC)(CC)NC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1	160890404	WYPLMACHRVGOIJ-IRXDYDNUSA-N	318.461	4.175	70	20	DIID	
CCN(Cc1ccccn1)[C@@H](C)c1nnc(-c2ccc(C)cc2)o1	161094430	DCMIRMSWWYZBSP-HNNXBMFYSA-N	322.412	4.023	70	20	DIID	
CC[C@@H](CNC(=O)c1cc2ccccc2nc1C)c1ccccc1	217469998	RNMXPAGXTWLHOI-INIZCTEOSA-N	318.420	4.467	70	20	DIID	
C[C@@H](C(=O)Nc1cc(F)ccc1OC(F)F)c1cccs1	159468957	JHUQXHYAVYXESN-MRVPVSSYSA-N	315.316	4.231	70	20	DIID	
CSCCCCC(=O)NCCc1ccc2ccccc2c1	159747904	IKCFWOBSFRWXAT-UHFFFAOYSA-N	301.455	4.032	70	20	DIID	
CC(=O)c1ccc(OCc2noc(C3CCCCC3)n2)c(F)c1	159784017	IUDDYFJHSCOOMU-UHFFFAOYSA-N	318.348	4.038	70	20	DIID	
CN(CCC1CC1)C(=O)Nc1ccccc1CCC(F)(F)F	160082506	JYMGQGGYGRIERB-UHFFFAOYSA-N	314.351	4.445	70	20	DIID	
CC(C)COc1ccccc1NC(=O)C[C@@H](C)c1ccncc1	160161002	WMEKWXHWSWUNAG-OAHLLOKOSA-N	312.413	4.249	70	20	DIID	
C[C@@]1(NC(=O)Nc2ccccc2SC2CCCC2)CCOC1	160656710	LMFKOYFQMDUTIM-QGZVFWFLSA-N	320.458	4.022	70	20	DIID	
CCCN1C(=O)CCc2cc(NC(=O)C(C)(CC)CC)ccc21	159426046	OMMHKZNBVAPHHN-UHFFFAOYSA-N	316.445	4.141	70	20	DIID	
Cc1ccccc1[C@H](C)NC1CCN([C@@H](C)c2ccncc2)CC1	159886849	OSEIKTXQZPFOKH-ROUUACIJSA-N	323.484	4.266	70	20	DIID	
Cc1cccc([C@H](C)NC(=O)C[C@H](C)c2c(C)n[nH]c2C)c1C	160091915	NCUUPNOEVFSCSA-JSGCOSHPSA-N	313.445	4.014	70	20	DIID	
Cc1ccccc1[C@@H](NC(=O)C[C@H](C)c1ccncc1)C(C)C	160562448	JKVUYYSXDOSECU-JXFKEZNVSA-N	310.441	4.397	70	20	DIID	
Cc1cccc([C@@H](C)NCc2nnc(-c3ccccc3)s2)c1	160736412	JHJHIFLPZDUHNZ-CQSZACIVSA-N	309.438	4.364	70	20	DIID	
O=C([C@@H]1CC[C@@H]2CCCC[C@@H]2C1)N1CCc2sccc2C1	161278887	IPHZDSKZLPDIPE-RRFJBIMHSA-N	303.471	4.239	70	20	DIID	
CC[C@H](CC(=O)N[C@H](CC)c1c(C)noc1C)c1ccccc1	160304604	XFKHYKOFGPPSJA-NVXWUHKLSA-N	314.429	4.443	70	20	DIID	
O=C(NCC(F)(F)F)Nc1ccc(C(F)(F)F)cc1Cl	160576249	VJYWORXYUGEBER-UHFFFAOYSA-N	320.620	4.043	70	20	DIID	
C[C@H](N[C@H](CCO)c1ccccc1)c1cc2c(s1)CCCC2	161002532	SHUMFRFIGDPYNV-WMLDXEAASA-N	315.482	4.401	70	20	DIID	
CCc1cccc(N[C@@H](C)C(=O)N(C)Cc2ccccc2C)c1	218738437	NEAQYEQSKNUILR-INIZCTEOSA-N	310.441	4.016	70	20	DIID	
CCOc1ccc([C@H](C)N[C@@H]2CCCSC2)cc1OCC	159648845	DMONLEIDGLYFKD-DZGCQCFKSA-N	309.475	4.030	70	20	DIID	
CCCn1nccc1CN[C@H]1CCSc2ccc(Cl)cc21	160052856	XMUHXINKVDVVOG-HNNXBMFYSA-N	321.877	4.273	70	20	DIID	
CCOc1ccc([C@@H](C)NCc2ccc(OC(C)C)nc2)cc1	160103283	CJEAWRRJVZAOLR-OAHLLOKOSA-N	314.429	4.118	70	20	DIID	
Cc1noc(C)c1[C@@H](C)CC(=O)N1CCC[C@@H]1CCC(C)C	160494643	SYCQWBXNIVJVCH-XJKSGUPXSA-N	306.450	4.212	70	20	DIID	
C[C@H](CC(=O)c1cccs1)NC(=O)C[C@@H](C)c1ccccc1	160740422	SUUHEOKAXYEZBG-ZIAGYGMSSA-N	315.438	4.019	70	20	DIID	
CCCc1ccccc1NC(=O)NCc1cc(F)ccc1F	216911902	FBTYRAIDLICXMQ-UHFFFAOYSA-N	304.340	4.239	70	20	DIID	
Cc1cc(NC(=O)c2cccc(C)c2C)n(-c2ccc(F)cc2)n1	217340614	FCSRSAPTYKALDJ-UHFFFAOYSA-N	323.371	4.189	70	20	DIID	
O=C(CCc1c(Cl)cccc1Cl)N1[C@H]2C=CC[C@H]1CC2	218713955	FULCNSBOABRHPJ-RYUDHWBXSA-N	310.224	4.246	70	20	DIID	
CC[C@@]1(C)C[C@H]1C(=O)N(Cc1ccco1)Cc1cccs1	159486542	VXXZDHLQDBSWQM-RDJZCZTQSA-N	303.427	4.306	70	20	DIID	
Cc1ccc(F)c(OCC(=O)Nc2cccc(C(F)F)c2)c1	160248622	LCABCEVACZMKEX-UHFFFAOYSA-N	309.287	4.089	70	20	DIID	
CN(Cc1ccc(OC(F)F)cc1)Cc1cnc(C2CC2)s1	160631530	FZOCWNPFSDOSGB-UHFFFAOYSA-N	324.396	4.254	70	20	DIID	
Cc1cc(CN(C)C)cc(NC(=O)[C@H](c2ccccc2)C2CC2)c1	159404410	MKDBKFNWMYMODQ-HXUWFJFHSA-N	322.452	4.189	70	20	DIID	
Cc1ccc(OC(F)F)c([C@@H](C)N[C@@H]2CCCSC2)c1	159551193	OHNSSWUEZNVAQW-VXGBXAGGSA-N	301.402	4.143	70	20	DIID	
Cc1cccc([C@H](NC(=O)c2cccc(F)c2)c2ccccn2)c1	159711019	PYNNIZOQJIPRRO-IBGZPJMESA-N	320.367	4.049	70	20	DIID	
Cc1cc(-c2noc([C@H](C)Sc3ccncc3)n2)ccc1F	159898799	WAXSSBZAUUWZIF-NSHDSACASA-N	315.373	4.432	70	20	DIID	
Cc1nc(-c2ccccc2)ncc1C(=O)N1CCCC(C)(C)CC1	160048428	NWVZDCUAPIMUIZ-UHFFFAOYSA-N	323.440	4.104	70	20	DIID	
CC(C)c1ccc([C@@H]2CCCCN2C(=O)c2cnns2)cc1	160400496	OADQUMRSZNSYFG-HNNXBMFYSA-N	315.442	4.029	70	20	DIID	
Cc1ccc([C@@H](C)N[C@H](CN2CCCC2=O)c2ccccc2)cc1	160774989	XLSFDJYBDLBGIV-YLJYHZDGSA-N	322.452	4.009	70	20	DIID	
C[C@H](C(=O)N(C)Cc1ccccc1Cl)c1c(F)cccc1F	160787365	CJODWHCJXDQUDE-NSHDSACASA-N	323.770	4.380	70	20	DIID	
C[C@H](CC(=O)Nc1cccc(CC(F)(F)F)c1)c1ccncc1	160894371	FXVXNOGZHYSPAG-GFCCVEGCSA-N	322.330	4.319	70	20	DIID	
Cc1ccc(NC(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)cc1C	160936502	LKZDWAXAFMSZHZ-MOPGFXCFSA-N	324.424	4.345	70	20	DIID	
CC[C@H](N[C@H](C)c1nc(C(C)C)no1)c1ccc(F)cc1F	161041619	UGJOYKUCGWDIHG-YGRLFVJLSA-N	309.360	4.273	70	20	DIID	
C[C@@H](CC(=O)N(CC1CCC1)c1ccccc1)c1ccncc1	161405377	BTYCDPNJHXZDMP-INIZCTEOSA-N	308.425	4.409	70	20	DIID	
Cc1cc(C)c(C(=O)Nc2cnc(-c3ccccc3)nc2)c(C)c1	217012829	GHFHPEWKECICBO-UHFFFAOYSA-N	317.392	4.321	70	20	DIID	
COc1ccc(OC)c([C@@H](C)N[C@@H]2CCc3c(C)cccc32)c1	159975377	LABQHNKMLXGQQQ-AUUYWEPGSA-N	311.425	4.350	70	20	DIID	
CC[C@H](CC1CCCC1)C(=O)N[C@H](CC)c1c(C)noc1C	160033711	FUXQBVDIXYEIOL-HZPDHXFCSA-N	306.450	4.465	70	20	DIID	
CCCCCCNC(=O)N1CCC(Cc2ccccc2)CC1	218759454	KHZWRBUOIDNHNB-UHFFFAOYSA-N	302.462	4.231	70	20	DIID	
O=C(N[C@@H]1CCCc2sccc21)c1cncc2ccccc12	160472903	BRWPNVUFVZGXLG-MRXNPFEDSA-N	308.406	4.104	70	20	DIID	
C[C@@H]1C[C@@H]1C(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1	160479760	QSQBEMAOTMYYRD-DOMZBBRYSA-N	306.365	4.013	70	20	DIID	
CCN(CC)CCC[C@H](C)NCc1cc(F)cc(Cl)c1	160803757	ZGIPRRQAHNTSSF-ZDUSSCGKSA-N	300.849	4.079	70	20	DIID	
C[C@H](CC(=O)N[C@@H]1CCOC2(CCCCC2)C1)c1ccccc1	160966967	TZZGKNZYRSNGEB-SJLPKXTDSA-N	315.457	4.178	70	20	DIID	
Cc1nccn1CCCCN1CCC[C@@H](c2ccccc2)CC1	159800969	ORVSCAOGNOIGMQ-HXUWFJFHSA-N	311.473	4.241	70	20	DIID	
CCc1ccc(/C=C/C(=O)N(C)[C@H](C)c2sc(C)nc2C)o1	159856797	GRAOKSXFDNYQQI-BZYZDCJZSA-N	318.442	4.148	70	20	DIID	
CC[C@H]1C[C@@H](N[C@H](C)c2ccc(Br)cc2)CCO1	160024139	ZBPQOJWUYJJBHV-UGFHNGPFSA-N	312.251	4.057	70	20	DIID	
Cc1ccc([C@@H](C)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)o1	161040926	AZUZEKPPYQZGAK-KUHUBIRLSA-N	315.413	4.407	70	20	DIID	
Cc1ccc(S(=O)(=O)Nc2c(C)cccc2Cl)cc1C	161058163	SBIILQGBLCYVIN-UHFFFAOYSA-N	309.818	4.066	70	20	DIID	
CCCCN(CCCC)C(=O)NCc1ccc(OCC)cc1	217300891	HWGUOVCQRJHUEN-UHFFFAOYSA-N	306.450	4.197	70	20	DIID	
Cc1cc(N[C@H]2CCO[C@@H](C3CC3)C2)c2cc(F)ccc2n1	160303239	FKXOWNVJNKMSLS-KBXCAEBGSA-N	300.377	4.052	70	20	DIID	
CC[C@@H](CN[C@@H](C)c1cncc(F)c1)Oc1ccccc1Cl	160449846	DSHRGGGZKHIXLA-WFASDCNBSA-N	322.811	4.382	70	20	DIID	
Fc1cc(Cl)ccc1CNc1ccccc1-n1cccn1	160718318	VHKMKCOMAPMLSO-UHFFFAOYSA-N	301.752	4.277	70	20	DIID	
Clc1oc2ccccc2c1CNC[C@H]1CSCCS1	161023390	FDAMUUJMJHVXGI-JTQLQIEISA-N	313.875	4.024	70	20	DIID	
Cc1noc(C)c1[C@H](C)CNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	161398975	GGBPEOOCUMRUBN-VJUNAUMWSA-N	318.461	4.118	70	20	DIID	
C[C@@H](NC[C@@H](O)Cc1ccccc1)c1cccc2ccccc12	218711305	RQPSZYPWTRLSLC-APWZRJJASA-N	305.421	4.094	70	20	DIID	
CC[C@H](C(=O)N[C@H](CC)c1nc(C)cs1)c1ccc(F)cc1	159823260	RQDCBWNQHMXSEM-LSDHHAIUSA-N	320.433	4.352	70	20	DIID	
Cc1c(COC(=O)c2cnn(C(C)(C)C)c2)oc2ccccc12	217202189	PTFGQIQQXDEYCM-UHFFFAOYSA-N	312.369	4.050	70	20	DIID	
C[C@@H](c1ccccc1Cl)N(C)CC[C@@H](O)c1ccccc1	217844717	WCFJWRHDRWYUHS-KBXCAEBGSA-N	303.833	4.457	70	20	DIID	
CC1(C)C[C@@H](Nc2ncc(C(F)(F)F)cc2Cl)CCO1	160560916	GRSNOODDFKMKGB-VIFPVBQESA-N	308.731	4.123	70	20	DIID	
Cc1ccc(C)c([C@@H]2CCCN2C(=O)c2ccnn2C(C)C)c1	160568312	RCWOEJSTMICSFB-KRWDZBQOSA-N	311.429	4.058	70	20	DIID	
Cc1cc(C(=O)NCCc2csc(C(C)(C)C)n2)sc1C	160760195	FOTJCXZMMBNCCA-UHFFFAOYSA-N	322.499	4.091	70	20	DIID	
Cc1ccccc1[C@@H](C)SCc1cc(=O)n2ccsc2n1	161037603	ZLISAZVJUSHWAH-GFCCVEGCSA-N	316.451	4.059	70	20	DIID	
C[C@H](CC(=O)N(C)[C@H](C)c1ccccc1Cl)c1ccncc1	159520826	HMCMCTSZSNKCHR-ZIAGYGMSSA-N	316.832	4.448	70	20	DIID	
CN(Cc1cccn1C)C(=O)c1cccc(Oc2ccccc2)c1	160669040	VFPIMLKRESHVTA-UHFFFAOYSA-N	320.392	4.090	70	20	DIID	
CCC(CC)(CN)C(=O)Nc1cccc(Nc2ccccc2)c1	161180621	UPKUFRVWOJYTRN-UHFFFAOYSA-N	311.429	4.134	70	20	DIID	
C[C@H](c1ccco1)N(C)C(=O)c1cncc(-c2ccccc2)c1	161438028	BELAHGBKLJEFTP-CQSZACIVSA-N	306.365	4.175	70	20	DIID	
CC[C@@H](NC(=O)Nc1cccc(Cl)c1Cl)[C@H]1CCCO1	159377422	DNURUDOTVXXPFP-ZYHUDNBSSA-N	317.216	4.073	70	20	DIID	
CC(C)CN1CCC(N[C@@H](C)c2cc3ccccc3o2)CC1	159882289	PAKVQXRPLDIAMD-HNNXBMFYSA-N	300.446	4.204	70	20	DIID	
Cc1ccc(C[C@H]2CCCN2Cc2ccnc(Cl)c2)cc1	217181850	CBYYBXCTYMJGLE-QGZVFWFLSA-N	300.833	4.251	70	20	DIID	
CC[C@H](NC(=O)Nc1cccc(Cl)c1Cl)[C@H]1CCCO1	159377277	DNURUDOTVXXPFP-CMPLNLGQSA-N	317.216	4.073	70	20	DIID	
CCSc1nnc(SCC(=O)CCC2CCCC2)s1	159892463	GEAWWCARRYTXGR-UHFFFAOYSA-N	316.517	4.282	70	20	DIID	
CC[C@@H](NC(=O)c1ccc(CSC)cc1)c1c(C)noc1C	160221059	NOFKFJKPFFRYGR-OAHLLOKOSA-N	318.442	4.036	70	20	DIID	
CC[C@H](CC(=O)Nc1ccc2c(c1)CC(=O)N2)c1ccc(C)cc1	160318325	NKUXIGIPGXNYHG-CQSZACIVSA-N	322.408	4.012	70	20	DIID	
C[C@@H]1CN(C(=O)c2cc(F)cc3cccnc23)c2ccccc21	160650399	WGBMIHFBSLHNQE-GFCCVEGCSA-N	306.340	4.138	70	20	DIID	
CCc1ccccc1NC(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1	161110603	GWZLQMRJCSYOSA-PKOBYXMFSA-N	324.424	4.291	70	20	DIID	
CCOCCC1(CNC(=O)[C@H](CC)c2ccc(F)cc2)CCC1	161192919	UWSKTYCXHNPBGA-QGZVFWFLSA-N	321.436	4.032	70	20	DIID	
CCNC(=O)c1cccc(CN[C@H](C)c2cc3ccccc3o2)c1	160200923	WCEHCTUYRSFIHN-CQSZACIVSA-N	322.408	4.033	70	20	DIID	
C[C@@H](Cc1cccc(Cl)c1)C(=O)N[C@@H](C)c1cccc(O)c1	160259174	JNFAAKZHYGZUJB-STQMWFEESA-N	317.816	4.102	70	20	DIID	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCCc2sccc21	160270815	MHKVCHGWDKHMNW-HZSPNIEDSA-N	317.479	4.415	70	20	DIID	
Cc1ccc(CN[C@H]2CCCOc3c(Cl)cccc32)cn1	161275511	ZWHQBCOTUKPEGY-INIZCTEOSA-N	302.805	4.047	70	20	DIID	
CN(C)c1ccc(NC(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)cc1	217311455	DKWKWPBMYZXWGB-APWZRJJASA-N	315.461	4.185	70	20	DIID	
CO[C@@H]1CCCC[C@H]1N[C@@H](C)c1ccc(C(F)(F)F)cc1	218217508	YVYRWPPTKRHYGK-NILFDRSVSA-N	301.352	4.314	70	20	DIID	
Cc1ccsc1[C@H]1C[C@H]1C(=O)N(C)Cc1ccccc1Cl	159439607	BCDOBAXKNZJZBM-UONOGXRCSA-N	319.857	4.472	70	20	DIID	
CCS[C@H](C)c1noc(CSCCOc2ccccc2)n1	161028930	KFZGVJUZZAGTCQ-GFCCVEGCSA-N	324.471	4.196	70	20	DIID	
CCOc1ccc([C@@H](C)NCc2ccc(C)nc2)cc1OCC	161322049	CMSFWLYCIKTFEI-OAHLLOKOSA-N	314.429	4.038	70	20	DIID	
O=C(c1ccccc1)N1CCSc2ccc(C(F)(F)F)cc21	161377997	FPNGQWZKNFOVGF-UHFFFAOYSA-N	323.339	4.458	70	20	DIID	
Cc1ccccc1[C@H](NC(=O)C[C@H](C)c1ccncc1)C(C)C	160562362	JKVUYYSXDOSECU-OXJNMPFZSA-N	310.441	4.397	70	20	DIID	
CSc1cccc(NC(=O)[C@@H](C)Nc2ccc(C)c(F)c2)c1	218734150	OUIKOHPTNBTEPZ-GFCCVEGCSA-N	318.417	4.295	70	20	DIID	
COc1ccc(N(C)C(=O)[C@@H](C)c2ccccc2F)cc1Cl	160188456	HDQVBKCILHBMAV-NSHDSACASA-N	321.779	4.254	70	20	DIID	
CC[C@@H](NCc1ccc2c(c1)OCCCO2)c1ccc(F)cc1	160874433	BJOMJFJECCGACY-QGZVFWFLSA-N	315.388	4.228	70	20	DIID	
CCc1n[nH]c(-c2ccccc2NC(=O)C[C@H](C)CC(C)C)n1	161010572	JMKQBZOSIGTCPT-CYBMUJFWSA-N	314.433	4.045	70	20	DIID	
Cc1ccsc1[C@H]1C[C@H]1c1nc(COc2ccccc2)no1	160872083	OMDMEJTYQDVJEX-UONOGXRCSA-N	312.394	4.290	70	20	DIID	
CCC(C)(C)[C@H]1CCCN1CC1CCN(C(=O)C(C)(C)C)CC1	160954418	WEJUALCUYAMSMB-QGZVFWFLSA-N	322.537	4.172	70	20	DIID	
COc1ccc(NCc2noc(C3CCCCC3)n2)c(C)c1	161391040	GWZMYUQTUOMPFF-UHFFFAOYSA-N	301.390	4.046	70	20	DIID	
COc1ccc([C@@H](C)NCCOc2ccccc2Cl)cc1F	216769074	UQALSLLIGJEGNF-GFCCVEGCSA-N	323.795	4.217	70	20	DIID	
Brc1ccccc1CNCc1cccc2cc[nH]c12	218164157	MPPCBFBZYUSQMO-UHFFFAOYSA-N	315.214	4.220	70	20	DIID	
COc1ccccc1C(=O)N1C[C@H](C)CSc2ccccc21	159625996	FFNNNMOIAKYFKZ-ZDUSSCGKSA-N	313.422	4.084	70	20	DIID	
CC(=O)Nc1cccc([C@H](C)NCc2coc3ccccc23)c1	159800260	RJWAGEOWCWSQGW-ZDUSSCGKSA-N	308.381	4.242	70	20	DIID	
CCc1ccc(CCC(=O)N[C@H](CC)c2c(C)noc2C)cc1	160054763	LUPVBARRIAXIFZ-QGZVFWFLSA-N	314.429	4.054	70	20	DIID	
CC(C)c1nn(-c2ccccc2)cc1CN[C@@H](C)c1cccnc1	160749141	KEBYRNQIBOISDU-INIZCTEOSA-N	320.440	4.242	70	20	DIID	
CN(Cc1cccn1C)C(=O)c1sccc1-c1ccccc1	160751138	LSWOUMDZPXXFNB-UHFFFAOYSA-N	310.422	4.026	70	20	DIID	
COc1ccc([C@H](C)NCCOc2ccccc2Cl)cc1F	216769114	UQALSLLIGJEGNF-LBPRGKRZSA-N	323.795	4.217	70	20	DIID	
CCCCCc1ccc(NC(=O)[C@H]2CCC(=O)C[C@@H]2C)cc1	159621858	MYZRPRMEKKOOMU-KSSFIOAISA-N	301.430	4.363	70	20	DIID	
CC(C)(C)c1nsc(N[C@H]2CCOC3(CCCCC3)C2)n1	160016088	UBNUWZUAZNCKDW-LBPRGKRZSA-N	309.479	4.129	70	20	DIID	
CCc1noc(C)c1CSCC(=O)Nc1c(C)cccc1C	160031546	WCWZSNPUGIEGJZ-UHFFFAOYSA-N	318.442	4.034	70	20	DIID	
Cc1ccccc1[C@@H](C)NCCc1nc(C(F)(F)F)cs1	159731759	UKSIBSINZFPMOF-LLVKDONJSA-N	314.376	4.364	70	20	DIID	
CCN(CC)c1ccc(NCc2cc(F)cc(Cl)c2)cn1	160855581	KQMDPDBQXZFQLS-UHFFFAOYSA-N	307.800	4.332	70	20	DIID	
COc1cc(CCC(=O)N[C@@H](C)c2ccc(C)o2)ccc1Cl	161171438	NPJMYSBQBJAYJS-LBPRGKRZSA-N	321.804	4.060	70	20	DIID	
C/C(=C/c1ccc(Cl)s1)c1nc2sccc2c(=O)[nH]1	161460228	ICMBPLIFTJIPNU-SREVYHEPSA-N	308.815	4.260	70	20	DIID	
CC[C@H](NC(=O)Nc1cccc(Cl)c1Cl)[C@@H]1CCCO1	159376967	DNURUDOTVXXPFP-JQWIXIFHSA-N	317.216	4.073	70	20	DIID	
CC(C)c1ccc(C(=O)Nc2cc(-c3ccccc3)on2)cn1	159722986	FFJGOXOZGBSCSM-UHFFFAOYSA-N	307.353	4.112	70	20	DIID	
CC(C)(C)c1nsc(NCc2csc(-c3ccco3)n2)n1	159993368	PIHSQTLGAZLNLY-UHFFFAOYSA-N	320.443	4.164	70	20	DIID	
Cc1cccc([C@H](NC(=O)c2ccc(F)cc2)c2ccccn2)c1	160188273	WBIOZNIHNIMHJD-IBGZPJMESA-N	320.367	4.049	70	20	DIID	
CC[C@@H](NC(=O)c1sccc1C(C)C)c1c(C)noc1C	160348915	VWPFGWHLKGOINZ-CYBMUJFWSA-N	306.431	4.357	70	20	DIID	
FC(F)Oc1ccc(NCc2noc(C3CCCCC3)n2)cc1	161193705	NNLNLGCSBDEJFC-UHFFFAOYSA-N	323.343	4.331	70	20	DIID	
COc1ccc(/C=C\C(=O)N2CCC(c3ccccc3)CC2)cc1	216800669	IAGLGQWFNDCDAK-XFXZXTDPSA-N	321.420	4.115	70	20	DIID	
CC[C@@H](N[C@@H]1CCCSC1)c1ccc(OC(F)F)cc1	159628997	KXQLICXURWOMCL-TZMCWYRMSA-N	301.402	4.224	70	20	DIID	
CC(C)[C@H](CC1CCCC1)C(=O)N[C@@H]1CCOC2(CCCC2)C1	159636792	WNTAYVGOMYAUPT-MSOLQXFVSA-N	321.505	4.447	70	20	DIID	
CC(C)c1ccc(C(=O)N(C)Cc2ccccc2Cl)cn1	159855000	URUCZOQUGNFXDW-UHFFFAOYSA-N	302.805	4.131	70	20	DIID	
CCc1nc([C@@H](C)NC(=O)[C@@H](CC)c2ccc(F)cc2)cs1	159958211	AXCQDXFYNMXMTF-RISCZKNCSA-N	320.433	4.216	70	20	DIID	
Cc1nc(-c2cccc(C(=O)NCC3(C4CC4)CC3)c2)cs1	160102872	JRTUTCCHQILQJL-UHFFFAOYSA-N	312.438	4.039	70	20	DIID	
CCc1sc(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)cc1C	160372544	JPYAPXDQQYFYOO-CQSZACIVSA-N	321.486	4.231	70	20	DIID	
CC(C)NCCC(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1	160982282	HXHVGAWXSMWBGG-QGZVFWFLSA-N	322.880	4.172	70	20	DIID	
O=C(NCCc1ccccc1Cl)NCCC1CCCCC1	217305269	DESQEXZOKGKESZ-UHFFFAOYSA-N	308.853	4.152	70	20	DIID	
Cc1ccc(CCNC(=O)Nc2ccc(Cl)cc2C)cc1	217307824	MFZDCEQNHGEMPD-UHFFFAOYSA-N	302.805	4.321	70	20	DIID	
Cc1ccccc1CN(C)C(=O)CCCc1sccc1C	159425909	LHCIDZXGZBKSTJ-UHFFFAOYSA-N	301.455	4.346	70	20	DIID	
Cc1cccc([C@H](C)NC(=O)C[C@@H](C)c2c(C)n[nH]c2C)c1C	160091634	NCUUPNOEVFSCSA-OCCSQVGLSA-N	313.445	4.014	70	20	DIID	
CCC[C@H](N[C@H](CCO)c1ccccc1)c1ccc(OC)cc1	160959428	PPWDZUHQNRUKHM-VQTJNVASSA-N	313.441	4.250	70	20	DIID	
CC(C)c1ccc(C(=O)N(C)[C@H](C)c2cc(F)ccc2F)cn1	161164395	YPRVWLNJTNJRLM-GFCCVEGCSA-N	318.367	4.316	70	20	DIID	
CC[C@H](N[C@@H](C)C(=O)N1CCC(C)CC1)c1ccc(Cl)cc1	218034276	KJJNSWQNLGEGOH-YOEHRIQHSA-N	322.880	4.028	70	20	DIID	
C[C@@H](c1cc(F)ccc1F)N(C)C(=O)C[C@@H](C)c1ccncc1	159522444	CEZAAWVFOWEOGD-OLZOCXBDSA-N	318.367	4.073	70	20	DIID	
O=C(Nc1cccc(C(F)F)c1)N1CCc2cccc(F)c2C1	160253699	CJKAPPRTCZXIOF-UHFFFAOYSA-N	320.314	4.354	70	20	DIID	
CCCNC(=O)c1cccc(CN[C@H](CCC)c2ccccc2)c1	160559900	SDTUDKPJFAAHFD-HXUWFJFHSA-N	324.468	4.457	70	20	DIID	
CN(Cc1ccc(Br)cc1Cl)[C@H]1CCSC1	160995142	BAEFSFYYLTZZOS-NSHDSACASA-N	320.683	4.040	70	20	DIID	
O=C(N[C@H]1CCOC2(CCCC2)C1)c1ccc2ccccc2c1	160047432	QRVYTGQUBIDNQU-SFHVURJKSA-N	309.409	4.061	70	20	DIID	
C[C@@H](CC(=O)NC(C)(C)c1ccc(Cl)cc1)c1ccncc1	160382631	XXVJOVMTOWDZCW-ZDUSSCGKSA-N	316.832	4.280	70	20	DIID	
CC[C@@H](NC(=O)C[C@H]1CCCCC1(C)C)c1c(C)noc1C	160427737	BRMRABSROOKFTJ-HUUCEWRRSA-N	306.450	4.465	70	20	DIID	
Cc1ccc(-c2ccncc2)cc1NC(=O)c1ccnn1C(C)C	160473699	GXPQEXLCEZTFQG-UHFFFAOYSA-N	320.396	4.087	70	20	DIID	
Cc1ccccc1[C@@H](C)N[C@@H](CN1CCCC1=O)c1ccccc1	160742176	CBZNYQDDMCQUQD-XLIONFOSSA-N	322.452	4.009	70	20	DIID	
CC[C@@H](N[C@H](C)c1nc(C(C)C)no1)c1ccc(F)cc1F	161041736	UGJOYKUCGWDIHG-QMTHXVAHSA-N	309.360	4.273	70	20	DIID	
C[C@H]1CCC[C@@H](C)N1C[C@@H](O)c1cccc(C(F)(F)F)c1	216889445	SDQAHMUODSRLHO-TYNCELHUSA-N	301.352	4.002	70	20	DIID	
O=C(Cc1c[nH]c2ccc(F)cc12)OCc1cc2ccccc2o1	217204331	DEBIEVZCEVVAMF-UHFFFAOYSA-N	323.323	4.339	70	20	DIID	
FC(F)(F)SCCNCc1nc(-c2ccccc2)cs1	218215050	WTVAVFOZQGXGFU-UHFFFAOYSA-N	318.389	4.153	70	20	DIID	
Cc1cnc(C(=O)N2CCCC[C@H]2c2ccc(C(C)C)cc2)cn1	160356459	ULAXTYNAPVBSBM-IBGZPJMESA-N	323.440	4.276	70	20	DIID	
CS[C@@H](C)C(=O)NCc1ccccc1-c1ccc(Cl)cc1	216641573	WRPNLKRUHROMGB-LBPRGKRZSA-N	319.857	4.375	70	20	DIID	
CCc1ccccc1OC(=O)c1cc(C)nc2c1cnn2C(C)C	217162534	OIHZTOGFWGNSBH-UHFFFAOYSA-N	323.396	4.102	70	20	DIID	
COc1ccc(OC)c([C@@H](C)NCc2coc3ccccc23)c1	159809400	JKSPNXCYYYHMAC-CYBMUJFWSA-N	311.381	4.301	70	20	DIID	
O=C(Nc1cc(F)cc(F)c1)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2	160254080	AKMLOTNWXMYJQF-QQJLWGBUSA-N	309.331	4.212	70	20	DIID	
CC[C@@H](NC(=O)CCCc1sccc1C)c1c(C)noc1C	160426390	BTDSYGYREGRGIP-CQSZACIVSA-N	320.458	4.252	70	20	DIID	
CC1(C)C[C@@H](NCc2ccc(-c3c(F)cccc3F)o2)CCO1	160499742	RRZORLINBGHBNB-LBPRGKRZSA-N	321.367	4.272	70	20	DIID	
C[C@H](c1ccc(C(C)(C)C)cc1)N1CCC[C@@H](CCC(N)=O)C1	216662537	YPDFXYGFSIVEHX-CVEARBPZSA-N	316.489	4.023	70	20	DIID	
CC[C@H](NC(=O)CCc1ccc(Cl)cc1)c1c(C)noc1C	160534548	RWJDOZZZMVVJHJ-HNNXBMFYSA-N	320.820	4.145	70	20	DIID	
COc1cccc([C@H](CN[C@@H](C)c2ccccc2)N2CCCC2)c1	216667121	XGAVUSLOUUHUCK-UWJYYQICSA-N	324.468	4.183	70	20	DIID	
O=C(CCc1ccc(Cl)c(Cl)c1)N1[C@H]2C=CC[C@H]1CC2	218714269	NOMHTPDPTOMUQI-STQMWFEESA-N	310.224	4.246	70	20	DIID	
Cc1ccccc1[C@@H](C)NCc1nnc(-c2ccccc2)s1	159798573	FIOAHNYXYBFBTO-CQSZACIVSA-N	309.438	4.364	70	20	DIID	
CCC(CC)c1nnc(NC(=O)Nc2cscc2C)s1	159949268	GDRSZMXBPLQOMF-UHFFFAOYSA-N	310.448	4.456	70	20	DIID	
CC[C@H](NC(=O)c1cc2cc(C)ccc2o1)c1c(C)noc1C	160022665	WPBXIHXGPSIGGC-AWEZNQCLSA-N	312.369	4.227	70	20	DIID	
CC[C@H](NC(=O)C(C)(C)c1ccc(C)cc1)c1c(C)noc1C	160357695	RELSFCYPEWBVPL-INIZCTEOSA-N	314.429	4.145	70	20	DIID	
COc1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(C(C)C)cc2)cc1N	161025569	CXNCNUZKWYJOSE-IRXDYDNUSA-N	324.424	4.143	70	20	DIID	
c1sc(C2CCCC2)nc1Cn1nc(C2CC2)nc1C1CC1	161459181	PHKNGUZKHIPZJH-UHFFFAOYSA-N	314.458	4.195	70	20	DIID	
CC[C@]1(C)C[C@H]1C(=O)N1CCC[C@@H]1c1nc2ccccc2s1	159489001	BEHFZRARBMJRKW-WPKBUWHJSA-N	314.454	4.396	70	20	DIID	
Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)OC(C)(C)C	159524514	JZTAEOKRKGWTIK-UHFFFAOYSA-N	318.417	4.014	70	20	DIID	
O=C(NCC1(C2CC2)CC1)c1ccc(CCC(F)(F)F)cc1	159936667	LSSMGZRXQJUXRC-UHFFFAOYSA-N	311.347	4.102	70	20	DIID	
Cc1nc(COC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)c(C)s1	160445130	DWMAZGAWBOWLCQ-MNOVXSKESA-N	321.364	4.172	70	20	DIID	
Cc1noc(Cl)c1CC(=O)N[C@@H](c1ccccc1)C(C)(C)C	160594529	BFQPUMUZDGQOGZ-HNNXBMFYSA-N	320.820	4.083	70	20	DIID	
c1ccc(CC[C@H]2CCCN2Cc2noc3c2CCCC3)cc1	217026669	HPLLJLQYSFNBNM-QGZVFWFLSA-N	310.441	4.151	70	20	DIID	
Cc1ccc(CCNC(=O)Nc2ccccc2C(F)(F)F)cc1	217304276	JRIDHKFIYHYBLK-UHFFFAOYSA-N	322.330	4.378	70	20	DIID	
CC(C)n1cc([C@@H](C)N[C@H]2CCSc3ccc(F)cc32)cn1	159451529	JIHGEECVIRGEMA-WBMJQRKESA-N	319.449	4.491	70	20	DIID	
CC[C@@H]1CCCC[C@@H]1N(C)C(=O)c1cc(C(C)C)nn1CC	161182345	OCULMHBINFETRG-ZBFHGGJFSA-N	305.466	4.067	70	20	DIID	
CCc1n[nH]c(-c2ccccc2NC(=O)C[C@@H](CC)C(C)C)n1	161233840	JLBGLIXVXKJHQZ-CYBMUJFWSA-N	314.433	4.045	70	20	DIID	
COc1ccc([C@@H]2CCCN2C(=O)c2ccc(C(C)C)nc2)cc1	161327946	NVSNVVVTOXJBRN-IBGZPJMESA-N	324.424	4.191	70	20	DIID	
CSc1cccc(NC(=O)[C@H](C)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c1	218740035	RBEWTBCNXCPOMZ-XJIUQZFPSA-N	320.502	4.150	70	20	DIID	
CCc1noc(C)c1CSCc1ccn(-c2ccccc2)n1	159775446	HRRZNVFLWHVNCF-UHFFFAOYSA-N	313.426	4.165	70	20	DIID	
COc1ccc(OC)c([C@@H](C)N[C@@H]2CCc3ccc(C)cc32)c1	159997923	LOGIJLICTOJHJN-AUUYWEPGSA-N	311.425	4.350	70	20	DIID	
COc1ccc([C@@H](C)NCCCCc2nc(C)cs2)c(F)c1	160647603	PMKFNIOTQKSKQM-CYBMUJFWSA-N	322.449	4.273	70	20	DIID	
Cc1ccsc1CCCC(=O)N1CCC[C@H]1c1ccc[nH]1	161381851	UERDAIGJBKFCGU-HNNXBMFYSA-N	302.443	4.071	70	20	DIID	
CN(Cc1nc(-c2c(F)cccc2F)cs1)CC(F)(F)F	159637396	JQSAQFDHHDGYKK-UHFFFAOYSA-N	322.302	4.082	70	20	DIID	
C[C@@H]1CN(C(=O)Nc2cc(F)c(F)cc2F)[C@@H]1c1ccccc1	159741329	GLJBSALVOQUZNJ-HWPZZCPQSA-N	320.314	4.329	70	20	DIID	
Clc1nc(N[C@@H]2CCO[C@@H](C3CC3)C2)cc2ccccc12	160448491	FAUZOMIMJDAZKY-UKRRQHHQSA-N	302.805	4.258	70	20	DIID	
CN(CC1CCC1)C(=O)Nc1ccc(COC2CCCC2)cc1	160512673	GUIGYUTXANJARU-UHFFFAOYSA-N	316.445	4.410	70	20	DIID	
CC(C)c1ccc(C(=O)O[C@H](c2ccccn2)C(F)(F)F)cn1	160539226	CZARVRUDJQBDBL-CQSZACIVSA-N	324.302	4.060	70	20	DIID	
Fc1cc(Cl)cc(CNCc2ccccc2OC(F)F)c1	160817966	KKWBJHQBXGYKFO-UHFFFAOYSA-N	315.722	4.370	70	20	DIID	
COc1ccc([C@H]2CCCN2C(=O)c2ccc(C(C)C)nc2)cc1	161327846	NVSNVVVTOXJBRN-LJQANCHMSA-N	324.424	4.191	70	20	DIID	
Cc1ccc([C@@H](C)NC(=O)N2CCC[C@@H]2c2cccc(C)n2)cc1	161349555	ZLSQABBJFIUQGM-VQIMIIECSA-N	323.440	4.306	70	20	DIID	
C[C@@H](NC(=O)NCc1ccccc1)c1ccc2c(c1)CCCC2	217278207	KJRCUACHYDEKPI-OAHLLOKOSA-N	308.425	4.126	70	20	DIID	
CCS[C@@H]1CCC[C@H](NC2CCN(c3ccccc3)CC2)C1	159416194	NICLPYSWORGWCU-PKOBYXMFSA-N	318.530	4.309	70	20	DIID	
CC[C@@H](NC(=O)CCc1cccc(Cl)c1)c1c(C)noc1C	160008417	FEVVROMAOGVDDL-OAHLLOKOSA-N	320.820	4.145	70	20	DIID	
C[C@@H]1CCC[C@@](CNCc2cc(F)cc(Cl)c2)(N(C)C)C1	160910641	QZRBTZPAQAWLPL-CXAGYDPISA-N	312.860	4.079	70	20	DIID	
CCc1ccc([C@H](NC(=O)[C@H]2CCC(=O)C[C@@H]2C)C(C)C)cc1	160989055	VRHPRSGWUCQXEK-ZOCIIQOWSA-N	315.457	4.068	70	20	DIID	
CC[C@H]1CCCC[C@@H]1N(C)C(=O)c1csc(-c2ccoc2)n1	161308764	DQSBVIBLEPRYEG-WFASDCNBSA-N	318.442	4.444	70	20	DIID	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1cccc2cccnc12	159553637	PTGUFMSIXWFVFI-ZIAGYGMSSA-N	308.406	4.347	70	20	DIID	
CSc1ccc(C(=O)N2C[C@H](C)CSc3ccccc32)o1	159677683	NOIWRLFPAFREID-NSHDSACASA-N	319.451	4.390	70	20	DIID	
CC(C(=O)N[C@H](c1cccc(C)c1)c1ccccn1)=C1CCCC1	159994414	HNQXGGRWTFYVLN-HXUWFJFHSA-N	320.436	4.486	70	20	DIID	
CC(C)=C[C@@H]1[C@@H](C(=O)N[C@@H]2CCOC3(CCCCC3)C2)C1(C)C	160584007	SVEODKWXOVPQRB-ZACQAIPSSA-N	319.489	4.223	70	20	DIID	
CC[C@H](N[C@@H](C)c1nc(C(C)C)no1)c1ccc(F)cc1F	161041361	UGJOYKUCGWDIHG-HZMBPMFUSA-N	309.360	4.273	70	20	DIID	
COc1ccc(C)c2c1N(C(=O)c1ccc(F)c(C)c1)CCC2	216838503	DWVXLTFPDRDJMC-UHFFFAOYSA-N	313.372	4.044	70	20	DIID	
CC(C)N1CCC(N[C@H]2C[C@H](C)Sc3sccc32)CC1	216992066	AUDWYJRCYVOLQU-WFASDCNBSA-N	310.532	4.136	70	20	DIID	
O=C(NCC1(C2CC2)CC1)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1	159794923	QSGKROXIAPQCIS-GJZGRUSLSA-N	323.358	4.115	70	20	DIID	
C[C@@H](NCCC1CCN(CC(F)(F)F)CC1)c1cccs1	159972102	YSWSVAHVYFTGAZ-GFCCVEGCSA-N	320.424	4.063	70	20	DIID	
CSCc1cccc(NC(=O)C[C@@H](C)c2ccncc2)c1	160530676	CVWROHPIGDLCCF-CYBMUJFWSA-N	300.427	4.077	70	20	DIID	
C[C@H](NCCCC(=O)Nc1ccc(Cl)cc1)c1ccco1	160804383	KHDPAMKVUINPRC-LBPRGKRZSA-N	306.793	4.003	70	20	DIID	
CC[C@H]1CCCC[C@H]1NCc1nnc(-c2ccccc2)s1	161430687	ZFLCAMQIOHCWAW-DZGCQCFKSA-N	301.459	4.264	70	20	DIID	
C[C@@H](C(=O)N[C@@H]1CCCc2sccc21)c1ccccc1F	160034275	FYJPQGGENHJLSB-IAQYHMDHSA-N	303.402	4.185	70	20	DIID	
CCCCOc1cccc(CN[C@H](C)c2cncc(F)c2)c1	160829738	HCZATDQKMHGDJJ-CQSZACIVSA-N	302.393	4.250	70	20	DIID	
CC[C@@H](N[C@@H](C)c1nc(C2CC2)no1)c1ccc(F)cc1F	161021832	XZTZOQQNNVJANW-LKFCYVNXSA-N	307.344	4.027	70	20	DIID	
Cc1cc(F)c2c(c1)CCCN2C(=O)c1ccc(F)c(C)c1	216834974	PCVYOEHUDKWIBP-UHFFFAOYSA-N	301.336	4.175	70	20	DIID	
CC1CCC(OCC(=O)N(Cc2cccs2)C(C)C)CC1	218553479	QLQZQFUNBNVCCF-UHFFFAOYSA-N	309.475	4.080	70	20	DIID	
C[C@@H](CC(=O)Nc1ccccn1)c1ccccc1C(F)(F)F	159543224	HDVRXIACFSCEMW-NSHDSACASA-N	308.303	4.233	70	20	DIID	
CC(C)CC[C@@H]1CCCN1C(=O)c1csc([C@H]2CCCO2)n1	160078945	JIXNVBDFXDEILN-DZGCQCFKSA-N	322.474	4.035	70	20	DIID	
FC(F)(F)c1ccnc(N[C@@H]2CCO[C@H](c3ccccc3)C2)c1	160570725	OCVLQCAWSCTQSD-CABCVRRESA-N	322.330	4.433	70	20	DIID	
CC(C)Oc1ccccc1NC(=O)N1CC[C@@H]2CCCC[C@@H]21	160686776	QLCQRDBQOZSDPR-HOCLYGCPSA-N	302.418	4.270	70	20	DIID	
CCC[C@H](CCc1ccccc1)NC(=O)C[C@H](C)c1ccncc1	160806620	KEZYOJVOKOUEGQ-FXAWDEMLSA-N	324.468	4.493	70	20	DIID	
CCOc1ccc(NCc2cc(F)cc(Cl)c2)cc1OC	160860929	ZMOKXHDMERSJEQ-UHFFFAOYSA-N	309.768	4.499	70	20	DIID	
CC[C@H](C(=O)Nc1cc(F)c(OC)cc1F)c1ccc(F)cc1	161064012	ISSPOWAMTCSCQH-LBPRGKRZSA-N	323.314	4.245	70	20	DIID	
CCCn1c(C)nnc1COc1ccc(Cl)c2ccccc12	161190676	MYRSIRBZRDNQJT-UHFFFAOYSA-N	315.804	4.382	70	20	DIID	
Cc1ccccc1CCNC(=O)Nc1ccc(Cl)cc1C	217315672	NKKIXRLOQSTVOW-UHFFFAOYSA-N	302.805	4.321	70	20	DIID	
COc1ccc2nc(NC(=O)Nc3cscc3C)sc2c1	159566681	NFELBNFZZGHFRE-UHFFFAOYSA-N	319.411	4.319	70	20	DIID	
O=C(Nc1ccc2[nH]ccc2c1)[C@H]1C[C@@H]1c1cccc(F)c1F	159707692	UFZHQLKXPAKNKV-KGLIPLIRSA-N	312.319	4.188	70	20	DIID	
CC[C@@H](c1ccccc1)S(=O)(=O)Cc1ccc(F)cc1F	160438811	VXFQBGGTBYVGKW-INIZCTEOSA-N	310.365	4.031	70	20	DIID	
C[C@@H]1Sc2ccccc2N(Cc2nccn2C(F)F)[C@@H]1C	161216371	RSXQTULLVIJOPV-MNOVXSKESA-N	309.385	4.168	70	20	DIID	
Cc1ccsc1C(=O)N1CC[C@H](Oc2ccccc2Cl)C1	161289138	LIZVQCMGPGOQDD-LBPRGKRZSA-N	321.829	4.003	70	20	DIID	
Cc1csc(-c2cccc(C(=O)N3[C@H](C)CC[C@H]3C)c2)n1	161507088	YWHBPZSRNVODNG-CHWSQXEVSA-N	300.427	4.132	70	20	DIID	
C[C@@H](CNc1ncc(-c2ccccc2)s1)c1nccs1	159558151	SOIKORJYGPRLMG-NSHDSACASA-N	301.440	4.482	70	20	DIID	
CCC[C@@H](C(=O)NC1(c2cccc(F)c2)CCOCC1)C(C)C	159616441	CHMZHEXXMDPNCI-QGZVFWFLSA-N	321.436	4.020	70	20	DIID	
CCn1nccc1CN[C@@H](C)c1ccc(-c2ccccc2)cc1	159878659	ALEXQPHBLGPHMU-INIZCTEOSA-N	305.425	4.421	70	20	DIID	
C[C@H](Nc1ccccc1O[C@H]1CCOC1)c1c(F)cccc1F	159908702	DQCWAHNLKSREAY-STQMWFEESA-N	319.351	4.306	70	20	DIID	
CCCCS[C@@H](C)C(=O)O[C@H](c1ccccn1)C(F)(F)F	159985396	WQLUCZLINPPILS-CMPLNLGQSA-N	321.364	4.150	70	20	DIID	
CCN(Cc1cccc(F)c1)C(=O)[C@@H]1C[C@H]1c1sccc1C	160403808	OPIWOLHPUIZHPV-HZPDHXFCSA-N	317.429	4.348	70	20	DIID	
CC[C@@H](NC(=O)C[C@@H](C)c1cccc(F)c1)c1c(C)noc1C	160609984	BQWWKFWQAMPNNS-BDJLRTHQSA-N	318.392	4.192	70	20	DIID	
CCCCc1ccc(NC(=O)N[C@@H]2CCOC(C)(C)C2)cc1	160760594	SSZPPICRFOQDNO-MRXNPFEDSA-N	304.434	4.108	70	20	DIID	
Cc1ccsc1CCCC(=O)N[C@H]1CCCc2occc21	160922059	OFAAGVVKCAFZMK-AWEZNQCLSA-N	303.427	4.166	70	20	DIID	
Cc1cccc(CNC(=O)N2CCC(Cc3ccccc3)CC2)c1	217314455	UODOKPPZKBTZHE-UHFFFAOYSA-N	322.452	4.159	70	20	DIID	
CCC(CC)n1nccc1C(=O)N(C1CC1)[C@@H](C)c1ccco1	159424267	YKPUTYBJGTVRGY-ZDUSSCGKSA-N	315.417	4.203	70	20	DIID	
Nc1c(Cl)cc(C(=O)Nc2ccc3[nH]ccc3c2)cc1Cl	159668565	OLLIXHXYIYNTRX-UHFFFAOYSA-N	320.179	4.309	70	20	DIID	
CCC(=CC(=O)Nc1cc(C(=O)NC(C)C)ccc1Cl)CC	159702590	AXFVSJLUVZLSRU-UHFFFAOYSA-N	322.836	4.163	70	20	DIID	
CCC1(C(=O)NCCc2csc(C(C)(C)C)n2)CCCC1	160720016	WUQYUOCCHJDZAJ-UHFFFAOYSA-N	308.491	4.070	70	20	DIID	
CC[C@@H](C(=O)NC1CCC(OC(C)C)CC1)c1ccccc1	159533707	SMOTXHHQNHBFFL-DAWZGUTISA-N	303.446	4.033	70	20	DIID	
CCN(CC)CCC[C@@H](C)NCc1ccc(Cl)cc1F	160647954	MHSMPWJJEDIQRL-CYBMUJFWSA-N	300.849	4.079	70	20	DIID	
CCCN(CC1CC1)C(=O)c1cncc(-c2ccc(C)cc2)c1	160828673	UEUFVXIIROWTGP-UHFFFAOYSA-N	308.425	4.319	70	20	DIID	
C[C@@H]1CCN(C(=O)Nc2cccc(OC(F)F)c2)C[C@@H](C)C1	159894907	HKRMSDCWTSNZMU-NEPJUHHUSA-N	312.360	4.188	70	20	DIID	
Cc1cccc([C@H]2CCCN2Cc2ccccc2OC(F)F)n1	160106909	QCOPURFLZVSRRI-MRXNPFEDSA-N	318.367	4.329	70	20	DIID	
Cc1ccc([C@@H](C)NCc2ccc(N3CCCCCC3)nc2)o1	160553836	CJPLQPFHNXXNAI-MRXNPFEDSA-N	313.445	4.214	70	20	DIID	
O=C(NC1CC=CC1)[C@@H](Sc1ccccc1)c1ccccc1	161073329	PLCJFOSGACFCRZ-SFHVURJKSA-N	309.434	4.355	70	20	DIID	
C[C@@H](NC(=O)Nc1cc(C(C)(C)C)on1)c1cccc(F)c1F	161082553	PRVUMWQWNVFRFY-SECBINFHSA-N	323.343	4.133	70	20	DIID	
C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C(F)(F)F)cc1	217312912	NDAOKZXIVZUTIZ-MFKMUULPSA-N	300.324	4.406	70	20	DIID	
CCc1ccc(C(=O)NC[C@@H](OC)c2ccccc2Cl)cc1	218311963	JTSPUHBFHKAURX-QGZVFWFLSA-N	317.816	4.020	70	20	DIID	
CCCOc1ccc([C@H](C)N[C@H](C)c2cncs2)cc1OC	159989758	QCAASMMVHCKHED-QWHCGFSZSA-N	320.458	4.352	70	20	DIID	
Cc1cc(C)c(NC(=O)c2ccc(N(C)C)cc2F)c(C)c1	160064621	JKCZOIJQPQTODW-UHFFFAOYSA-N	300.377	4.069	70	20	DIID	
O=C(N[C@@H]1CCCc2sccc21)[C@@H]1C[C@H]1c1ccc(F)cc1	160176466	UEJPRZPONQCVOC-ARFHVFGLSA-N	315.413	4.185	70	20	DIID	
CC[C@H](NC(=O)c1cc(SC)ccc1C)c1c(C)noc1C	160636565	FZKZOXQVNHXVDO-HNNXBMFYSA-N	318.442	4.203	70	20	DIID	
CCCCOc1cccc(CN[C@@H](C)c2cncc(F)c2)c1	160829598	HCZATDQKMHGDJJ-AWEZNQCLSA-N	302.393	4.250	70	20	DIID	
Cc1ccsc1[C@@H]1C[C@H]1c1nc(COc2ccccc2)no1	160871953	OMDMEJTYQDVJEX-ZIAGYGMSSA-N	312.394	4.290	70	20	DIID	
Cc1noc(C)c1[C@H](C)CC(=O)NCC1CCC(C(C)C)CC1	160881488	NUZRNNAQBNCPER-NVPAJSRCSA-N	320.477	4.364	70	20	DIID	
CC(C)C[C@H](O)CNC(=O)Nc1ccc(C(C)C)cc1C(C)C	217235343	RGBBFFRZTNPDIU-INIZCTEOSA-N	320.477	4.462	70	20	DIID	
COc1ccc(N(C)C(=O)C[C@H](C)c2ccc(F)cc2)cc1F	159641726	NEKOEXCYGNKJJA-LBPRGKRZSA-N	319.351	4.130	70	20	DIID	
COc1ccc(OC)c([C@H](C)N[C@@H]2CCc3ccc(C)cc32)c1	159997673	LOGIJLICTOJHJN-IFXJQAMLSA-N	311.425	4.350	70	20	DIID	
O=C(N[C@@H]1CCOC2(CCCC2)C1)c1cc2ccccc2s1	159730124	QVMYYHLOYVNITQ-CQSZACIVSA-N	315.438	4.123	70	20	DIID	
Cc1cc(C)c(NC(=O)[C@@H](C)Sc2ccncc2)c(C)c1	159988082	JIMANEMUKSADJG-CQSZACIVSA-N	300.427	4.126	70	20	DIID	
CC(C)Oc1ccc(CN[C@H](C)c2cc3ccccc3o2)cn1	160103128	YSEMUONOXVYPGM-CQSZACIVSA-N	310.397	4.466	70	20	DIID	
CC(C)Oc1ccc(NC(=O)N2CC[C@@H](C)[C@H](C)C2)c(F)c1	160648213	MIYKGYGLJLIVDX-CHWSQXEVSA-N	308.397	4.123	70	20	DIID	
c1ccc2c(OCCn3nc(C4CC4)nc3C3CC3)cccc2c1	161504954	QFTODCFJPOPVIY-UHFFFAOYSA-N	319.408	4.265	70	20	DIID	
CCc1noc(C)c1CNc1ccc(F)cc1OCC1CC1	159463550	CPLHSLCQBOCGOX-UHFFFAOYSA-N	304.365	4.085	70	20	DIID	
CC[C@@H](CC1CCCC1)C(=O)N[C@H](CC)c1c(C)noc1C	160033590	FUXQBVDIXYEIOL-JKSUJKDBSA-N	306.450	4.465	70	20	DIID	
O=C(Nc1cc(Cl)c(Cl)cc1Cl)[C@@H]1CCCCO1	160206207	OCURNZIHPQVPTA-NSHDSACASA-N	308.592	4.154	70	20	DIID	
Cc1nc2ccc(NC(=O)[C@@H]3C[C@@H]3c3sccc3C)cc2o1	160775901	QSDWGQXLZMPHQD-QWHCGFSZSA-N	312.394	4.248	70	20	DIID	
Cc1cccc(C(=O)N[C@@H](C)Cc2ccccc2Cl)c1F	161459731	GVEIJKZVNFGEFY-LBPRGKRZSA-N	305.780	4.149	70	20	DIID	
Cc1ccccc1N(C(=O)CCOc1ccc(F)cc1)C(C)C	216923244	URBCHXIQYZIBNX-UHFFFAOYSA-N	315.388	4.345	70	20	DIID	
O=C(N[C@@H]1CCCc2sccc21)[C@H]1CCCc2sccc21	159818274	BWJHFTLQKKBVBO-GXTWGEPZSA-N	317.479	4.423	70	20	DIID	
CC[C@@H](CN[C@H](C)c1cncc(F)c1)Oc1ccccc1Cl	160450061	DSHRGGGZKHIXLA-DOMZBBRYSA-N	322.811	4.382	70	20	DIID	
c1cc2c(s1)CCC[C@@H]2NC1CCN(C2CCCC2)CC1	160492178	HBPARDKGAGYYCM-KRWDZBQOSA-N	304.503	4.122	70	20	DIID	
C[C@H](c1cccs1)N(C)C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F	160915125	IOCGFQMFSAHRSB-RTXFEEFZSA-N	321.392	4.349	70	20	DIID	
C[C@H](N[C@@H]1CCSc2ccc(Cl)cc21)C1CCOCC1	159474037	LJRPECGUYFPLSV-XHDPSFHLSA-N	311.878	4.282	70	20	DIID	
Cc1ccc(C(=O)CCN[C@@H](c2ncccc2C)C(C)C)cc1	160569499	QAFPHNLHYXCMRG-LJQANCHMSA-N	310.441	4.258	70	20	DIID	
Cc1c(F)cccc1NC(=O)Nc1cnn(CCC(C)C)c1C	160732109	BLVQHQTUVNGTBD-UHFFFAOYSA-N	318.396	4.329	70	20	DIID	
Cc1cnc([C@@H](NC(=O)c2ccc(Cl)cc2C)C2CC2)s1	160753857	HCJBSVPRLBDZPJ-AWEZNQCLSA-N	320.845	4.294	70	20	DIID	
CCOCCC1(CNC(=O)[C@H](c2ccccc2)C(C)C)CCC1	160888728	OOHBZMJSKOJKAV-SFHVURJKSA-N	317.473	4.139	70	20	DIID	
C[C@@H]1C[C@@H](C)CN(C(=O)Nc2ccc(C(F)(F)F)cc2)C1	217312892	OIFMVWSHOPSCKB-GHMZBOCLSA-N	300.324	4.215	70	20	DIID	
CCc1ccccc1NC1CCC(NC(=O)OC(C)(C)C)CC1	218090838	XSYZQLHBZUALTO-UHFFFAOYSA-N	318.461	4.497	70	20	DIID	
COc1cccc([C@H](C)C(=O)N[C@@H]2CCCc3sccc32)c1	159808276	LPNOBTMQQPCMAA-BLLLJJGKSA-N	315.438	4.054	70	20	DIID	
CCCn1nccc1CN[C@@H](C)c1ccc(Cl)cc1Cl	159965346	KCRIYLMUVVEHHJ-NSHDSACASA-N	312.244	4.451	70	20	DIID	
C[C@@H](CC(=O)N1CCC[C@](C)(c2ccccc2)C1)c1ccncc1	160380487	PHGLKYYDBLIJPG-UWJYYQICSA-N	322.452	4.156	70	20	DIID	
C[C@H](NC[C@@H](c1cccs1)N1CCCC1)c1ccccc1	216635607	TTXNSROFVULGEH-RDJZCZTQSA-N	300.471	4.236	70	20	DIID	
Cc1ccc([C@H](C)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)o1	161041037	AZUZEKPPYQZGAK-LIRRHRJNSA-N	315.413	4.407	70	20	DIID	
Cc1cc(C)cc(C(=O)Nc2[nH]nc(-c3ccc(C)o3)c2C)c1	161405082	SUNHYCKXNNDZOH-UHFFFAOYSA-N	309.369	4.156	70	20	DIID	
CSc1ccc(C(=O)NCCc2csc3ccccc23)o1	217158358	FFMLHRIVYVCFEZ-UHFFFAOYSA-N	317.435	4.189	70	20	DIID	
C[C@@H]1CCC[C@](CNCc2cc(Cl)ccc2F)(N(C)C)C1	160790564	GNZGYYKYOFLFTE-DYVFJYSZSA-N	312.860	4.079	70	20	DIID	
C[C@@H]1Cc2ccc(F)cc2[C@H]1N[C@@H](CCCO)c1ccccc1	160922548	CBADYYVVGPQYMB-UAOJZALGSA-N	313.416	4.162	70	20	DIID	
C[C@@H](CC(=O)NC(C)(C)CCc1ccccc1)c1ccncc1	160382866	WOBLXBNJCKUIPX-INIZCTEOSA-N	310.441	4.103	70	20	DIID	
Cc1ccc([C@@H](C)NCc2ccc(N3CCC(C)CC3)nc2)o1	160509927	SOUPSUBQTAGZDH-MRXNPFEDSA-N	313.445	4.070	70	20	DIID	
Cc1nc2ccccc2nc1N[C@H]1CCO[C@H](c2ccccc2)C1	160625075	AIQXWVGHDLVLER-LPHOPBHVSA-N	319.408	4.270	70	20	DIID	
CC[C@@H](NCc1ccccc1COC)c1ccc(F)cc1F	160724218	JCHVGIDTEUZTAN-GOSISDBHSA-N	305.368	4.352	70	20	DIID	
CCOc1ccc(NC(=O)N2CC[C@@H]3CCCC[C@@H]32)c(C)c1	160731500	AKVUZOHYUZMPSK-YOEHRIQHSA-N	302.418	4.190	70	20	DIID	
Cc1cc(C(=O)CSCc2ccc(Cl)cc2)c(C)n1C	160878590	IYMIOBJDWPNABG-UHFFFAOYSA-N	307.846	4.411	70	20	DIID	
C[C@@H](NC[C@@H](Cc1ccccc1)c1ccccc1)c1cnccn1	161244171	FBNIHAQFNRZTOU-YLJYHZDGSA-N	317.436	4.154	70	20	DIID	
CCN(Cc1cccs1)C(=O)c1cc2ccccc2cc1O	216646215	WDEZOPWPFCMTPA-UHFFFAOYSA-N	311.406	4.269	70	20	DIID	
C[C@@H](CC(=O)N(C)[C@H](C)c1cccc(Cl)c1)c1ccncc1	159519326	RBWJWASMBJOZFK-UONOGXRCSA-N	316.832	4.448	70	20	DIID	
CC[C@@H](S[C@@H](C)C(=O)Nc1cc(C)no1)c1ccc(F)cc1	161340161	VMNQIIYOYMLAIJ-SMDDNHRTSA-N	322.405	4.334	70	20	DIID	
CC(C)c1ccc(C(=O)Nc2ccccc2OC(F)F)cn1	159640801	YETGJXIQRRBWJG-UHFFFAOYSA-N	306.312	4.059	70	20	DIID	
CCC[C@H](C(=O)Nc1ccc(-c2nnc(CC)o2)cc1)C(C)C	159691664	PPFUJEJKGSLHHB-HNNXBMFYSA-N	315.417	4.310	70	20	DIID	
CCCOc1ccc([C@@H](C)N[C@H](C)c2ccco2)cc1OC	160005755	IGWMNYHICGKAIL-ZIAGYGMSSA-N	303.402	4.489	70	20	DIID	
CC[C@H](NC(=O)[C@@H](CC)c1ccccc1)c1c(C)noc1C	160011532	GRDDYYLKXRHKSQ-HOTGVXAUSA-N	300.402	4.053	70	20	DIID	
C[C@@H](NCC1(Sc2ccccc2)CCCC1)c1cnn(C)c1	160353248	PEZAZEMWGFVSDP-OAHLLOKOSA-N	315.486	4.176	70	20	DIID	
CCc1nc(CN[C@@H](C)c2ccc(Oc3ccccc3)cc2)n[nH]1	160403033	IPNQKKUGFIWAMC-AWEZNQCLSA-N	322.412	4.010	70	20	DIID	
CC(=O)NC1CCC(N[C@@H](c2cccc(C)c2)C(C)(C)C)CC1	161345221	AAVRDYCRFQYKPV-ACBHZAAOSA-N	316.489	4.119	70	20	DIID	
O=C(N[C@@H]1CCCc2sccc21)[C@H]1C[C@@H]1c1ccc(F)cc1	160176343	UEJPRZPONQCVOC-OWCLPIDISA-N	315.413	4.185	70	20	DIID	
Cc1ccc(CN(C(=O)C[C@@H](C)c2ccncc2)C(C)C)s1	160228867	ZFSDCXARVDOAKF-CQSZACIVSA-N	316.470	4.382	70	20	DIID	
Cc1ccc2c(c1)[C@@H](NCc1ccc(CN(C)C)cc1)CCCO2	160874514	KEMIXPKTCVPSSP-FQEVSTJZSA-N	324.468	4.060	70	20	DIID	
Cc1cccc(OC(F)F)c1NC(=O)N1CC[C@H](C)[C@@H](C)C1	161172185	RXHSMURRMPCLDR-JQWIXIFHSA-N	312.360	4.106	70	20	DIID	
C[C@H]1CN(C(=O)C2CCC(C)(C)CC2)C[C@@H](c2ccsc2)O1	161209699	OJOUHCCVSVSVSS-BBRMVZONSA-N	321.486	4.253	70	20	DIID	
Cn1cccc1C(=O)Nc1nc(-c2cc3ccccc3o2)cs1	216815536	XCAUZCLFQNEYQS-UHFFFAOYSA-N	323.377	4.147	70	20	DIID	
CC(C)(C)OC(=O)Nc1ccc(NCc2cccc(O)c2)cc1	159424705	FTFRYQBSQOZVFO-UHFFFAOYSA-N	314.385	4.351	70	20	DIID	
C[C@@H]1CCC[C@H](C(=O)N(Cc2ccco2)Cc2ccco2)C1	160025024	ARQOIYDAFJRCKV-CABCVRRESA-N	301.386	4.228	70	20	DIID	
COc1ccc([C@H](C)NCCCCc2nc(C)cs2)c(F)c1	160647522	PMKFNIOTQKSKQM-ZDUSSCGKSA-N	322.449	4.273	70	20	DIID	
O=S(=O)(Cl)c1ccc(C(F)(F)F)cc1-c1ccccc1	112734766	YGKOWWBSKXSQPF-UHFFFAOYSA-N	320.719	4.300	70	20	DIID	
CN(CCC1CC1)C(=O)Nc1cccc(CC(F)(F)F)c1	159401389	CSWIVURQMATEFQ-UHFFFAOYSA-N	300.324	4.055	70	20	DIID	
CC[C@@H](NCc1ccccc1Cn1cccn1)c1ccc(F)cc1	160696941	LJLXRHFMYPFYIP-HXUWFJFHSA-N	323.415	4.311	70	20	DIID	
CCOc1cccc(CN[C@@H](C)c2sc(CC)nc2C)c1	159382532	HIVSOGXZQMFTTO-LBPRGKRZSA-N	304.459	4.263	70	20	DIID	
COc1ccc(C)cc1-c1csc(NC(=O)C2=CCCC2)n1	159934336	IBBRUCUTEKURET-UHFFFAOYSA-N	314.410	4.176	70	20	DIID	
COc1ccc(O)c(C(=O)Nc2ccccc2-c2ccccc2)c1	218308585	NQPJGSLSYFBHBA-UHFFFAOYSA-N	319.360	4.320	70	20	DIID	
Cc1cccc([C@H](C)NC2CCN([C@@H](C)c3ccncc3)CC2)c1	159885140	KTDVPJSIBKLMJQ-ROUUACIJSA-N	323.484	4.266	70	20	DIID	
Cc1nc2c(s1)[C@H](NCCSc1ccccc1)CCC2	160521492	WUEFEYXHLLJPDT-CQSZACIVSA-N	304.484	4.211	70	20	DIID	
C[C@@H](c1ccccc1F)[S@](=O)c1ncc(C(C)(C)C)s1	160545394	PZZIHJJBFGKLGG-WVDJIFEKSA-N	311.447	4.449	70	20	DIID	
CC[C@@H](NCCc1ccc(NC(C)=O)cc1)c1ccc(F)cc1	160885619	ZWFPAWRFNLXCAB-LJQANCHMSA-N	314.404	4.068	70	20	DIID	
Cc1ccc(NC(=O)N2C[C@H](C)C[C@@H]2c2cccc(F)c2)cn1	161321563	SBZDSOYFPLNSMB-SJKOYZFVSA-N	313.376	4.144	70	20	DIID	
C[C@H](N[C@H](C)c1ccccn1)c1ccc(OCC2CC2)c(F)c1	159374483	SKNWSSZYMXLLCA-UONOGXRCSA-N	314.404	4.421	70	20	DIID	
CCc1nnc(-c2cccc(NC(=O)C(C)(CC)CC)c2)o1	159386442	HFYWTPXTYRHAOQ-UHFFFAOYSA-N	301.390	4.064	70	20	DIID	
C[C@H]1CSc2ccccc2N(C(=O)c2ccc(Cl)o2)C1	159702626	SRXFVKSZHBULQK-SNVBAGLBSA-N	307.802	4.322	70	20	DIID	
COc1ccc(N(C)C(=O)CCCc2cccs2)cc1Cl	159875447	UNPQAKAPBSPLPI-UHFFFAOYSA-N	323.845	4.396	70	20	DIID	
CSCCc1ccc(NC(=O)N2CC[C@H](C)[C@@H](C)C2)cc1	161060163	AFXBPRMSAQVIIS-KBPBESRZSA-N	306.475	4.102	70	20	DIID	
CC(=O)NC1CCC(Nc2ccc(SC(C)(C)C)cc2)CC1	161167981	WYKDHQGGLMZXDI-UHFFFAOYSA-N	320.502	4.436	70	20	DIID	
O=C(C1CC=CC1)N1CCSc2ccc(C(F)(F)F)cc21	161398366	ZKRUOPCXXZGBRW-UHFFFAOYSA-N	313.344	4.110	70	20	DIID	
CO[C@H](CNC(=O)Nc1ccc(C)cc1)c1ccccc1Cl	218354046	COQJSLZDLIWOJI-MRXNPFEDSA-N	318.804	4.158	70	20	DIID	
Cc1cccc([C@@H](C)C(=O)Nc2cc(F)ccc2OC(F)F)c1	159414339	QVCAESGRWVGJSI-LLVKDONJSA-N	323.314	4.478	70	20	DIID	
C[C@H]1CSc2ccccc2N(C(=O)CC2CCSCC2)C1	159653534	YYENREOXOHWPBP-CYBMUJFWSA-N	321.511	4.295	70	20	DIID	
CCC[C@@H]1CCCN(C(=O)c2cnn(CC(C)C)c2C2CC2)C1	159852844	LIXJMELABGQFFG-OAHLLOKOSA-N	317.477	4.069	70	20	DIID	
C[C@H]1CCC[C@@H](OCCCCCC(=O)Nc2cccc(O)c2)C1	159961172	FIYCLGVPCGZINL-MAUKXSAKSA-N	319.445	4.486	70	20	DIID	
Cc1cnc(NC(=O)N2CCC(C)(c3ccccc3)CC2)s1	160082616	GIMKTIOLAFKROL-UHFFFAOYSA-N	315.442	4.037	70	20	DIID	
COc1ccc(N(C)C(=O)c2ccc(F)c(C)c2)cc1Cl	160107808	OMKBMOASRFSQLQ-UHFFFAOYSA-N	307.752	4.073	70	20	DIID	
C[C@H](CC(=O)Nc1scnc1-c1ccccc1)c1ccncc1	160293444	RCDAWPCXNOYUON-CYBMUJFWSA-N	323.421	4.337	70	20	DIID	
Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N[C@H](C)CC(C)C	160337810	WYYISJUJTRRTPS-CQSZACIVSA-N	319.449	4.146	70	20	DIID	
Cc1cc(C)cc(NC(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)c1	161011086	IZFAMFPCADBJSG-PKOBYXMFSA-N	324.424	4.345	70	20	DIID	
CC(C)c1ccc(C(=O)N(Cc2cccc(F)c2)C2CC2)cn1	161021423	DGTQRAJQJUFJLM-UHFFFAOYSA-N	312.388	4.149	70	20	DIID	
Cc1cccc([C@H](NC(=O)[C@H]2CCC[C@H](C)C2)c2ccccn2)c1	159890533	LUXWNAVURXELLN-QRFRQXIXSA-N	322.452	4.422	70	20	DIID	
CCc1ccc([C@H](C)NCc2ccc(OC(C)C)nc2)s1	160104830	SXFFYMOQDRRYLB-ZDUSSCGKSA-N	304.459	4.344	70	20	DIID	
CC[C@H](NC(=O)CCCc1sccc1C)c1c(C)noc1C	160426245	BTDSYGYREGRGIP-AWEZNQCLSA-N	320.458	4.252	70	20	DIID	
Clc1ccc([C@H](NC2CCOCC2)c2ccsc2)cc1	160891181	MDCOAVCSAZIMPO-INIZCTEOSA-N	307.846	4.260	70	20	DIID	
CCOCCC1(CNC(=O)CCC(C)(C)c2ccccc2)CC1	161281733	RBMDTFAEKSJOJG-UHFFFAOYSA-N	317.473	4.067	70	20	DIID	
CCOC(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	218364708	MGWUUELTHNROKS-UHFFFAOYSA-N	305.761	4.487	70	20	DIID	
Cc1ccccc1NC(=O)N[C@@H](C[C@@H]1CCOC1)c1ccccc1	159722354	YTJMJNUIUAGBGZ-LPHOPBHVSA-N	324.424	4.284	70	20	DIID	
CC[C@@H](NC(=O)c1ccccc1C(C)(C)C)c1c(C)noc1C	159992717	TWYOBNFFQKIFKN-MRXNPFEDSA-N	314.429	4.470	70	20	DIID	
CC[C@H](NCC(=O)N(C)c1ccccc1)c1ccc(Cl)cc1	218207022	RABHIGKCNWGXCP-KRWDZBQOSA-N	316.832	4.044	70	20	DIID	
CC(C)C[C@@H](C)Oc1cc(CN[C@@H](C)c2ccco2)ccn1	160822823	VXRYGGYRJGFJKG-CABCVRRESA-N	302.418	4.339	70	20	DIID	
C[C@H](N[C@H](C)c1ccc(OCC2CC2)c(F)c1)c1ccccn1	159374348	SKNWSSZYMXLLCA-KGLIPLIRSA-N	314.404	4.421	70	20	DIID	
CCC(C)(CC)C(=O)Nc1cc(CN2CCCC2)ccc1C	159493626	VSAQSAAPZMSZEG-UHFFFAOYSA-N	302.462	4.356	70	20	DIID	
Cc1[nH]c2ccc(Cl)cc2c1C(=O)Nc1ccnn1C(C)C	159605294	QWOBHBYVZGLPKQ-UHFFFAOYSA-N	316.792	4.159	70	20	DIID	
CCOc1ccccc1NC(=O)Nc1ccnc(C)c1Cl	159822826	RQZFEBYDDCWCBG-UHFFFAOYSA-N	305.765	4.086	70	20	DIID	
CCc1ccc([C@H](C)NCc2c(C)nn(-c3ccccc3)c2C)o1	159874279	ZNEMPSQEUBGXGH-HNNXBMFYSA-N	323.440	4.495	70	20	DIID	
CC(C)(C)c1nsc(N2CCC(OCC3CCCC3)CC2)n1	159888946	VKGDRMHDLAWWKW-UHFFFAOYSA-N	323.506	4.011	70	20	DIID	
C[C@H]1CCN(C(=O)Nc2cccc(COCC3CC3)c2)C[C@H]1C	160302243	FLWZYTLGPODSNX-LSDHHAIUSA-N	316.445	4.123	70	20	DIID	
CCc1ccc([C@H](C)NC2CCN(C3CCCC3)CC2)s1	160509211	TYBKMNUMLSDKIZ-AWEZNQCLSA-N	306.519	4.368	70	20	DIID	
CC[C@H](NCc1cccc(NC(C)=O)c1)c1ccc(F)cc1	160756658	UUYTXWLUQHOTRR-SFHVURJKSA-N	300.377	4.025	70	20	DIID	
CC(C)c1cc(C(=O)N(C)c2ccccc2)nn1-c1ccccc1	160061236	QUNZOXHCIAUIKZ-UHFFFAOYSA-N	319.408	4.272	70	20	DIID	
CCCOc1ccc(Cl)cc1NC(=O)C[C@H](C)SC	160360736	NPFMHRPOEAHTNK-JTQLQIEISA-N	301.839	4.209	70	20	DIID	
CC[C@H](NC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C)c1c(C)noc1C	160002878	OOFDPZVMRMCUIB-OFQRWUPVSA-N	304.434	4.097	70	20	DIID	
CC[C@@H](NC(=O)C[C@H](C)c1ccc(F)cc1)c1c(C)noc1C	160072134	WOCJRARUIGTJJM-MEDUHNTESA-N	318.392	4.192	70	20	DIID	
Cc1ccc(C)c([C@H](C)NCc2ccccc2Cn2cccn2)c1	160696400	PURXVKCFGXTBPV-SFHVURJKSA-N	319.452	4.399	70	20	DIID	
Cc1ccc([C@@H](C)N[C@@H](CN2CCCC2=O)c2ccccc2)cc1	160774732	XLSFDJYBDLBGIV-XLIONFOSSA-N	322.452	4.009	70	20	DIID	
CC(C)(C)c1ccc(NC(=O)N[C@H]2CCO[C@H](C3CC3)C2)cc1	160965492	PHONMEBKYCIQHH-IRXDYDNUSA-N	316.445	4.063	70	20	DIID	
CCOCc1cccc(NC(=O)N[C@@H]2CCCc3ccccc32)c1	216636723	QDRFSWRNFXLLRU-LJQANCHMSA-N	324.424	4.422	70	20	DIID	
CCSc1ccc([C@@H](C)NCCc2c(C)noc2C)cc1	159440234	MDELSZZVHBACMN-GFCCVEGCSA-N	304.459	4.297	70	20	DIID	
CCc1nc([C@H](C)NC(=O)[C@@H](CC)c2ccc(F)cc2)cs1	159958349	AXCQDXFYNMXMTF-FZMZJTMJSA-N	320.433	4.216	70	20	DIID	
C[C@@H]1CCC[C@@H](C)N1C[C@@H](O)c1cccc(C(F)(F)F)c1	216889399	SDQAHMUODSRLHO-LALPHHSUSA-N	301.352	4.002	70	20	DIID	
CCC(CC)n1ncc(C(=O)N2CCC[C@H]2C2CCCC2)c1C	160708300	UANWSYZVXLWBLH-SFHVURJKSA-N	317.477	4.347	70	20	DIID	
CC[C@H](Cc1ccccc1)N(C)C(=O)C[C@H](C)c1ccncc1	160843470	RKEZBYJMDUSPSC-QFBILLFUSA-N	310.441	4.055	70	20	DIID	
CC[C@@H]1CCCC[C@H]1N(C)C(=O)c1cc(C(C)C)nn1CC	161182618	OCULMHBINFETRG-GDBMZVCRSA-N	305.466	4.067	70	20	DIID	
O=C(NCCCc1ccccc1)Nc1c(F)cccc1Cl	217313377	IGBVXIXOKRTJGY-UHFFFAOYSA-N	306.768	4.233	70	20	DIID	
C[C@H](CCn1cccn1)Nc1ccc(CCC(F)(F)F)cc1	159380786	KXHUXIMAPRFMFL-CYBMUJFWSA-N	311.351	4.269	70	20	DIID	
CCc1ccc(Cl)c(CC)c1NC(=O)c1ccnn1C(C)C	160290176	WVHMUKJRRQOJQC-UHFFFAOYSA-N	319.836	4.495	70	20	DIID	
CCc1ncsc1NC(=O)[C@H](C)Cc1ccc(Cl)cc1	160984822	DTZAQJTVAXAKNC-SNVBAGLBSA-N	308.834	4.176	70	20	DIID	
Cc1ccsc1CCCC(=O)Nc1cccc(CN(C)C)c1	161348907	LNHQHIOWPQENSU-UHFFFAOYSA-N	316.470	4.080	70	20	DIID	
Fc1cc(Cl)cc(NCc2cnn(-c3ccccc3)c2)c1	217532887	YDXVOOHUZKCJDA-UHFFFAOYSA-N	301.752	4.277	70	20	DIID	
Cc1cc(F)cc(NC2CCC(NC(=O)OC(C)(C)C)CC2)c1	218115191	GTLSKSYSXVVMQA-UHFFFAOYSA-N	322.424	4.382	70	20	DIID	
Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2cccc3[nH]cnc23)o1	159750252	IRVVFAAVKNBEFN-WBMJQRKESA-N	323.396	4.078	70	20	DIID	
CC[C@H](NC(=O)c1ccc(CSC)cc1)c1c(C)noc1C	160220953	NOFKFJKPFFRYGR-HNNXBMFYSA-N	318.442	4.036	70	20	DIID	
CC[C@@H](NC(=O)CCc1ccccc1Cl)c1c(C)noc1C	160328928	SKJIHJGFRFQONA-OAHLLOKOSA-N	320.820	4.145	70	20	DIID	
Fc1ccc2oc(N[C@@H]3CCO[C@H](c4ccccc4)C3)nc2c1	160586404	MMDXHSXFXLKQDJ-PBHICJAKSA-N	312.344	4.299	70	20	DIID	
Cc1csc([C@H](NC(=O)C2CCC(C)(C)CC2)C2CC2)n1	160694092	CJIVTPPIMSEEDH-CQSZACIVSA-N	306.475	4.235	70	20	DIID	
COc1ccc(OCCN[C@@H](C)c2cc3ccccc3o2)cc1	216689846	VLEVXWBTACKMRA-AWEZNQCLSA-N	311.381	4.171	70	20	DIID	
Cc1ccc(CC(=O)Nc2ccc(-c3ccccc3)cn2)cc1	217627856	VIZANJVSCLMGLW-UHFFFAOYSA-N	302.377	4.238	70	20	DIID	
Cc1ccsc1[C@@H](Cc1ccccc1)NCCC(C)(C)O	159678238	ZLBJWOGTCKDEHK-MRXNPFEDSA-N	303.471	4.091	70	20	DIID	
CC(C)c1ccc(C(=O)Nc2nc(C(C)(C)C)cs2)cn1	159783162	MQNLHWBMGJIEPX-UHFFFAOYSA-N	303.431	4.211	70	20	DIID	
C[C@H]1CCC[C@@H](C(=O)N(Cc2ccco2)Cc2ccco2)C1	160025368	ARQOIYDAFJRCKV-LSDHHAIUSA-N	301.386	4.228	70	20	DIID	
CC(C)(C)c1ncc(CNc2ccc(C(F)(F)F)nc2)s1	160072423	AFISVKFDMOORBZ-UHFFFAOYSA-N	315.364	4.467	70	20	DIID	
Cc1cc(Cl)ccc1OC(=O)c1csc([C@@H]2CCCO2)n1	160457556	VBWCRLKOCKIBTE-ZDUSSCGKSA-N	323.801	4.176	70	20	DIID	
O=C(CCCc1ccccc1)O[C@@H](c1ccccn1)C(F)(F)F	160468097	XJZUULUBRCPJKB-INIZCTEOSA-N	323.314	4.251	70	20	DIID	
CCc1ncc(NC(=O)N2CCC[C@@H]2c2cc(C)ccc2C)cn1	161199654	XZWMIFNQNDPXBT-QGZVFWFLSA-N	324.428	4.025	70	20	DIID	
C[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(C(F)(F)F)cc1	217312915	NDAOKZXIVZUTIZ-GXFFZTMASA-N	300.324	4.406	70	20	DIID	
Cc1ccc(SCCn2ccc(=O)c3ccccc32)cc1C	159433805	ZXUCCQUNOQSVAA-UHFFFAOYSA-N	309.434	4.411	70	20	DIID	
CCCCOc1ccccc1NC(=O)Cc1nc(C)sc1C	159464096	DNHYNRMGEVMFMQ-UHFFFAOYSA-N	318.442	4.120	70	20	DIID	
COCc1cccc(NC(=O)CCCc2sccc2C)c1	161126713	DREOAZGJUMRMNV-UHFFFAOYSA-N	303.427	4.164	70	20	DIID	
CCCn1nc(C)c(C(=O)Nc2cccc(Cl)c2C)c1C	161170449	XLRQATUFOIUKLT-UHFFFAOYSA-N	305.809	4.124	70	20	DIID	
C[C@H](NC(=O)C[C@@H](C)c1ccncc1)c1c(F)cccc1Cl	161238032	RCDBJJSTLJXYBP-NEPJUHHUSA-N	320.795	4.245	70	20	DIID	
C[C@@H]1CC[C@@H](C)N1C(=O)CCc1ccc(-c2ccccc2F)o1	161451006	JKGYWYGAFGFIGT-ZIAGYGMSSA-N	315.388	4.418	70	20	DIID	
CCc1noc(C)c1CSCCC(=O)Nc1ccccc1C	160016401	LWKODHTZCNOQIH-UHFFFAOYSA-N	318.442	4.116	70	20	DIID	
CC(C)CCN(CCC(C)C)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1	160621834	TVSGIYLXSAIRER-MSOLQXFVSA-N	324.509	4.048	70	20	DIID	
Cc1nc(C)c(C(=O)N2C[C@@H](C)CSc3ccccc32)s1	159559672	KHPCXDSSNMKGHZ-SNVBAGLBSA-N	318.467	4.149	70	20	DIID	
CC[C@@H](C(=O)N(C)Cc1ccc(C)s1)c1ccc(F)cc1	159731791	FUQLYEZXIPBWCP-MRXNPFEDSA-N	305.418	4.348	70	20	DIID	
Cc1cccc([C@H](NC(=O)c2oc(C)cc2C)c2ccccn2)c1	159798460	CUBJIOVKRJCUEK-SFHVURJKSA-N	320.392	4.119	70	20	DIID	
C[C@H]1CN(C(=O)Nc2cc(F)c(F)c(F)c2)[C@@H]1c1ccccc1	160914911	CQECEPHYLJNVER-QFYYESIMSA-N	320.314	4.329	70	20	DIID	
CCCCSCCC(=O)O[C@H](c1ccccn1)C(F)(F)F	160439269	IWMNOQIOJMQAOY-CYBMUJFWSA-N	321.364	4.152	70	20	DIID	
C[C@@H](N[C@@H](CCCO)c1ccccc1)c1ccc2c(c1)CCC2	160740182	AKZWBAOXAMFEGP-IERDGZPVSA-N	309.453	4.340	70	20	DIID	
CC[C@H]1CCCC[C@@H]1N(C)C(=O)c1nc(C(C)C)ncc1Cl	160987286	HVRMLIHFVVEZGJ-JSGCOSHPSA-N	323.868	4.294	70	20	DIID	
Cc1cc(C)c(C(=O)N2C[C@H](C)CSc3ccccc32)o1	159583540	CTMZRJZSYOFTRR-NSHDSACASA-N	301.411	4.285	70	20	DIID	
O=C(N[C@H]1CCOC2(CCCC2)C1)c1cc2ccccc2s1	159730233	QVMYYHLOYVNITQ-AWEZNQCLSA-N	315.438	4.123	70	20	DIID	
O=C(CSc1ccccc1)N[C@@H]1CCCc2sccc21	160204465	CDOZEMFNIQFQDS-CQSZACIVSA-N	303.452	4.034	70	20	DIID	
CC[C@H]1CCCC[C@H]1N(C)C(=O)c1nc(C(C)C)ncc1Cl	160987529	HVRMLIHFVVEZGJ-GXTWGEPZSA-N	323.868	4.294	70	20	DIID	
O=C(CCc1ccccc1F)N[C@@H]1CCCc2sccc21	159986771	HCVMHIZQACCMSC-OAHLLOKOSA-N	303.402	4.014	70	20	DIID	
CCCCCN(C(=O)N[C@@H]1CCO[C@H](C2CC2)C1)[C@H](C)CCC	160285131	VUSPJEMSDDZTPN-NXHRZFHOSA-N	324.509	4.334	70	20	DIID	
CC(C)c1ccc([C@@H]2CCCCN2C(=O)[C@@H]2CCCO2)cc1	160346802	WJWYQIXLFQOISO-ROUUACIJSA-N	301.430	4.043	70	20	DIID	
CC(C)c1ccsc1C(=O)N[C@H](C)CC(=O)c1cccs1	161027992	YJQMYMRCUORWOQ-LLVKDONJSA-N	321.467	4.324	70	20	DIID	
COc1cc(NC(=O)Nc2ccc(C(C)C)cc2)cc(OC)c1	217273707	JWLRXMDWVMSSCT-UHFFFAOYSA-N	314.385	4.471	70	20	DIID	
CCCCn1ncc(C(=O)Nc2cc(Cl)ccc2C)c1C	159625402	AOCALEOFFOMZOU-UHFFFAOYSA-N	305.809	4.206	70	20	DIID	
CC(=O)c1ccccc1NC(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2	159811382	HLZQTJLHMDNOCI-CXTCDGGRSA-N	315.388	4.136	70	20	DIID	
CC[C@H](NC(=O)[C@H](CC)c1ccc(F)cc1)c1nc(C)cs1	159823123	RQDCBWNQHMXSEM-CABCVRRESA-N	320.433	4.352	70	20	DIID	
Cc1ccccc1OCCCNC(=O)Nc1cccc(Cl)c1	217300348	CNHYWPJNNJPYIS-UHFFFAOYSA-N	318.804	4.239	70	20	DIID	
C[C@H](c1ccccc1Cl)N(C)C[C@@](C)(O)c1ccccc1	217825259	ISSAIWWBMRSNIX-RDTXWAMCSA-N	303.833	4.241	70	20	DIID	
O=C(CCCn1cccc1)N[C@H](c1ccc(F)cc1)C1CCC1	159409382	FIJQGCDZXWUAAY-IBGZPJMESA-N	314.404	4.065	70	20	DIID	
CCCCn1ncc(NC(=O)N[C@H](C)c2ccc(C)cc2)c1C	159979211	JDYUDMILTUWOHG-CQSZACIVSA-N	314.433	4.183	70	20	DIID	
Cc1cc(F)c(C(=O)N[C@H]2CCSc3ccccc32)cc1F	159980830	GXNUDQZYQKWQCR-HNNXBMFYSA-N	319.376	4.240	70	20	DIID	
CCCc1ccc([C@H](C)NCc2cccc(C(=O)NCC)c2)cc1	160177588	DPOGDMQOQUCDHL-INIZCTEOSA-N	324.468	4.240	70	20	DIID	
CCC(CC)CNC(=O)N1CCCCC[C@H]1c1ccncc1	160601994	XGOFIGQDLXHNFK-KRWDZBQOSA-N	303.450	4.145	70	20	DIID	
O=C(Nc1cccc2ncccc12)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2	160734038	ZUTAVODGNYVQDF-RCRDTURJSA-N	324.399	4.482	70	20	DIID	
Cc1cc(C(=O)N(CCc2cccc(F)c2)C2CC2)ccc1F	217187659	SBFKCQRSEUHDNP-UHFFFAOYSA-N	315.363	4.121	70	20	DIID	
Cc1ocnc1C(=O)O[C@H](C)c1ccc(F)c(C(F)(F)F)c1	159390921	AHESBCTWLFCNIH-SSDOTTSWSA-N	317.238	4.059	70	20	DIID	
O=C(N[C@H]1CCCc2sccc21)[C@@H]1CCCc2sccc21	159818413	BWJHFTLQKKBVBO-OCCSQVGLSA-N	317.479	4.423	70	20	DIID	
CC[C@H](NC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C)c1c(C)noc1C	160002602	OOFDPZVMRMCUIB-DZKIICNBSA-N	304.434	4.097	70	20	DIID	
CCCCn1ncc(NC(=O)N(C)[C@@H]2CCCC[C@H]2CC)c1C	160275844	VKVUBONXYWMZEQ-NVXWUHKLSA-N	320.481	4.424	70	20	DIID	
CSCCc1ccc(NC(=O)C[C@@H](C)c2ccncc2)cc1	160387630	CWCLKTOQYLUCRT-CQSZACIVSA-N	314.454	4.119	70	20	DIID	
FC(F)(F)c1cccnc1CN[C@@H]1CCCc2sccc21	160986534	LZEYIJMAOFJKCN-GFCCVEGCSA-N	312.360	4.329	70	20	DIID	
Cc1cccc([C@@H]2CCCN2Cc2ccc(F)c3cccnc23)n1	159732605	DGZLPEJXFZGRFF-IBGZPJMESA-N	321.399	4.414	70	20	DIID	
CC[C@H](NCc1ccc(OC(C)C)nc1)c1cc(F)ccc1F	160051342	SLYHQYGPEALGKI-KRWDZBQOSA-N	320.383	4.388	70	20	DIID	
COc1ccccc1-c1noc([C@@H](C)c2c(F)cccc2F)n1	160788853	NVDLJCANYIEQGH-JTQLQIEISA-N	316.307	4.175	70	20	DIID	
C[C@H]1CCCCN1C(=O)NC(c1ccccc1)c1ccccc1	217269797	CMXQOHWRUWIUCD-INIZCTEOSA-N	308.425	4.360	70	20	DIID	
Cc1c(Cl)cccc1NC(=O)NCCCOc1ccccc1	217299643	KFGAVJOFLMCIOY-UHFFFAOYSA-N	318.804	4.239	70	20	DIID	
CC(C)c1ccc([C@@H](C)CC(=O)NCCc2cscn2)cc1	159477979	ATMJMSSTZCYANH-AWEZNQCLSA-N	316.470	4.119	70	20	DIID	
Cc1ccc2cc(C(=O)N3CCC[C@H]3C3CCCC3)ccc2n1	159563429	QIIOUAUIVOMXNA-IBGZPJMESA-N	308.425	4.338	70	20	DIID	
CCCCn1ncc(NC(=O)N2CCC[C@H]2[C@@H](C)CCC)c1C	159633342	YEMAVXCXEXUKHJ-YOEHRIQHSA-N	320.481	4.424	70	20	DIID	
Cc1cccc([C@@H](NC(=O)c2cccc(F)c2)c2ccccn2)c1	159711147	PYNNIZOQJIPRRO-LJQANCHMSA-N	320.367	4.049	70	20	DIID	
Cc1cccc([C@@H](NC(=O)C2CCCCC2)c2ccccn2)c1	159804569	DFKBWAZJRWXPBO-LJQANCHMSA-N	308.425	4.176	70	20	DIID	
C[C@@H](CC(=O)Nc1c(F)cccc1F)c1ccc(F)cc1F	160074940	APVMSGOUKIIIOK-VIFPVBQESA-N	311.278	4.375	70	20	DIID	
C[C@H](CC(=O)Nc1ccc(-c2ccccc2)cn1)c1ccncc1	160418990	HLQOMLNHTMQWFP-OAHLLOKOSA-N	317.392	4.276	70	20	DIID	
Cc1cc([C@H](C)NC(=O)C[C@H](C)c2ccncc2)c(C)s1	159682733	HJFICUWPUPBFAE-AAEUAGOBSA-N	302.443	4.131	70	20	DIID	
CCCc1ccc([C@@H](C)NCc2cccc(C(=O)NCC)c2)cc1	160177513	DPOGDMQOQUCDHL-MRXNPFEDSA-N	324.468	4.240	70	20	DIID	
COc1ccccc1C(=O)Nc1scnc1-c1ccccc1	161411370	ZOQGHUCXZDLRKE-UHFFFAOYSA-N	310.378	4.071	70	20	DIID	
C[C@H](NCc1ccc2c(c1)OCO2)c1ccc2ccccc2c1	216660032	YTBCRLYAOWVFSJ-AWEZNQCLSA-N	305.377	4.419	70	20	DIID	
CC(C)(C)OC(=O)Nc1ccc(NCc2cscn2)cc1	159425589	BMXIJAOIUCXSLN-UHFFFAOYSA-N	305.403	4.102	70	20	DIID	
CCC[C@@H](Cc1ccccc1)NC(=O)C[C@H](C)c1ccncc1	160397933	ZRKQERSLKMCMCA-LPHOPBHVSA-N	310.441	4.103	70	20	DIID	
CC[C@H](NC(=O)C[C@H]1CCCCC1(C)C)c1c(C)noc1C	160427596	BRMRABSROOKFTJ-CABCVRRESA-N	306.450	4.465	70	20	DIID	
C[C@H](c1ccccc1F)[S@@](=O)c1ncc(C(C)(C)C)s1	160545266	PZZIHJJBFGKLGG-SBKAZYGRSA-N	311.447	4.449	70	20	DIID	
CCOCc1ccc(NC(=O)[C@H](CC)c2ccc(F)cc2)cc1	160626385	QJWSWPCJMNUUMA-GOSISDBHSA-N	315.388	4.495	70	20	DIID	
O=C1CSc2ccc(NCc3cc(F)cc(Cl)c3)cc2N1	160866212	WCKRLQOMRKQHLD-UHFFFAOYSA-N	322.792	4.135	70	20	DIID	
CC(C)Sc1c(Cl)cccc1NC(=O)Nc1ccn(C)n1	160938295	XHLDFUHZUXUSSC-UHFFFAOYSA-N	324.837	4.218	70	20	DIID	
Cc1cc(F)c(C(=O)N(Cc2cccs2)C2CC2)cc1F	160995528	ISDOVXRVVFRSMT-UHFFFAOYSA-N	307.365	4.140	70	20	DIID	
Cc1n[nH]c(C)c1NC(=O)CCCCCO[C@@H]1CCC[C@@H](C)C1	161177538	SILAGDWYIDNZKM-CZUORRHYSA-N	321.465	4.121	70	20	DIID	
CC(=O)c1ccccc1OCCN(C)[C@@H](C)c1ccc(F)cc1	216903617	JNMZCELHKYXRKF-AWEZNQCLSA-N	315.388	4.100	70	20	DIID	
Cc1cc(C)cc(NC(=O)NCCCOc2ccccc2C)c1	217300458	IWPZHCMUKCXIIU-UHFFFAOYSA-N	312.413	4.202	70	20	DIID	
CCc1cccc(N[C@@H](C)C(=O)Nc2cc(Cl)ccc2F)c1	218738328	BEDAZJAXZIZPCC-NSHDSACASA-N	320.795	4.481	70	20	DIID	
CCCCn1ncc(C(=O)Nc2ccc(F)c(Cl)c2)c1C	159498215	UOVDQEHRHHVOEI-UHFFFAOYSA-N	309.772	4.036	70	20	DIID	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)NCCSc1ccccc1	159776030	PEEKXJNRVFRQPX-GJZGRUSLSA-N	317.479	4.069	70	20	DIID	
C[C@H](NCC1(c2ccc(Cl)cc2)CCOCC1)c1ccco1	160901014	ZFUYOZWNJAHFRS-AWEZNQCLSA-N	319.832	4.332	70	20	DIID	
CCCc1ccc(N[C@@H](C)C(=O)NCc2ccccc2C)cc1	218724259	YEVJXOCVEQWWTO-INIZCTEOSA-N	310.441	4.064	70	20	DIID	
CSc1cccc(NC(=O)[C@H](C)Nc2ccc(C)c(F)c2)c1	218734215	OUIKOHPTNBTEPZ-LBPRGKRZSA-N	318.417	4.295	70	20	DIID	
O=C(CCc1cccc(F)c1F)N[C@H]1CCCc2sccc21	159841082	ACAIADDXRLWDAA-AWEZNQCLSA-N	321.392	4.153	70	20	DIID	
C[C@@H](CC(=O)O[C@@H](c1ccccn1)C(F)(F)F)c1ccccc1	159864816	QCYWQQWFMKNZAQ-LRDDRELGSA-N	323.314	4.422	70	20	DIID	
CCCCn1ncc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)c1C	159942372	AGHIUQMUKVNSFB-LBPRGKRZSA-N	319.836	4.136	70	20	DIID	
CC[C@@H](NC(=O)c1cccc(C)c1Cl)c1c(C)noc1C	160378589	YCXGFWWCVNMBRH-CYBMUJFWSA-N	306.793	4.134	70	20	DIID	
CCC[C@H]1[C@H](C)CCCN1CC1CCN(C(=O)C(C)(C)C)CC1	160622762	DHAKKLWNEMCVSL-AEFFLSMTSA-N	322.537	4.172	70	20	DIID	
CCCCN(C)C(=O)c1ccc(NC(=O)OC(C)(C)C)c(C)c1	160945500	VPYZEVCCLFMFEB-UHFFFAOYSA-N	320.433	4.214	70	20	DIID	
CCN(Cc1ccccc1)C(=O)NCCc1ccc(Cl)cc1	217308551	QEPXXUILOFLBEV-UHFFFAOYSA-N	316.832	4.114	70	20	DIID	
CC(C)(C(=O)NCC(F)F)c1ccc(-c2ccccc2)cc1	159417382	COVREWBRUZOANL-UHFFFAOYSA-N	303.352	4.013	70	20	DIID	
CCN(Cc1ccccc1C)C(=O)Nc1ccnc(C)c1Cl	159437976	UZIYULWPJFFIAZ-UHFFFAOYSA-N	317.820	4.406	70	20	DIID	
C[C@@H]1CSc2ccccc2N(C(=O)Cc2cccs2)C1	159542415	SVYKDRAMOULUID-LBPRGKRZSA-N	303.452	4.066	70	20	DIID	
COc1ccc(NC(=O)c2ccc(C(C)C)nc2)cc1Cl	159588019	BPWYLWBBUSQJKB-UHFFFAOYSA-N	304.777	4.119	70	20	DIID	
CCc1ccc([C@H](C)C(=O)N[C@@H](CC)c2c(C)noc2C)cc1	160506818	GOJDZXBPJNKIAM-SJCJKPOMSA-N	314.429	4.225	70	20	DIID	
CC[C@@H](C)OCC(=O)N(CC)[C@H](C)c1cc2ccccc2o1	160803852	ISCPKBRBEVOJGX-ZIAGYGMSSA-N	303.402	4.157	70	20	DIID	
Cc1noc(CS[C@H](C)c2cccc(Br)c2)n1	161196581	NCKUWQQCVVEWIG-MRVPVSSYSA-N	313.220	4.135	70	20	DIID	
COCc1ccc([C@H]2CCCN2C(=O)c2ccccc2Cl)o1	161349523	KVHOADMEDGADLK-OAHLLOKOSA-N	319.788	4.057	70	20	DIID	
CC(C)N(C(=O)CN[C@@H](c1ccccc1)C1CC1)c1ccccc1	217553601	AYOHSJLOVMQAKE-NRFANRHFSA-N	322.452	4.169	70	20	DIID	
COc1ccccc1[C@@H](C)NCCCCc1nc(C)cs1	160664045	HBBWFUHURDCWCA-CQSZACIVSA-N	304.459	4.134	70	20	DIID	
CC[C@H](N[C@H](CN1CCCC1=O)c1ccccc1)c1ccccc1	160681025	PRACTZAJUGJVAS-VQTJNVASSA-N	322.452	4.091	70	20	DIID	
CC(C)(C)c1ccc(NC(=O)NCc2cccc(F)c2)cc1	217301369	RYCTZMSVAKYQRU-UHFFFAOYSA-N	300.377	4.445	70	20	DIID	
CCS[C@H]1CCC[C@@H](NC2CCN(C3CCCCC3)CC2)C1	159371462	GCNVTMSVSHVOIV-MJGOQNOKSA-N	324.578	4.437	70	20	DIID	
CC(C)Oc1ccc(CN[C@@H](C)c2cc(F)c(F)c(F)c2)cn1	160066697	NZSBPYQHBSSNJX-NSHDSACASA-N	324.346	4.137	70	20	DIID	
C1=C(CNc2ccccc2OCCc2ccccc2)COCC1	160272273	FMJYZOYILVSBFU-UHFFFAOYSA-N	309.409	4.067	70	20	DIID	
CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)C[C@@H](C)c1ccncc1	160874690	BCICWQFGRYJTAF-XLIONFOSSA-N	324.468	4.363	70	20	DIID	
CCc1n[nH]c(-c2ccccc2NC(=O)C[C@@H](C)CC(C)C)n1	161010439	JMKQBZOSIGTCPT-ZDUSSCGKSA-N	314.433	4.045	70	20	DIID	
CCc1ccc([C@H](C)NC(=O)NCCc2ccc(C)cc2)cc1	217307770	YHWZXRYTQZNVID-INIZCTEOSA-N	310.441	4.160	70	20	DIID	
C[C@@H]1CSc2ccccc2N(C(=O)c2cccnc2Cl)C1	159666207	UABZNETYLUMZLQ-NSHDSACASA-N	318.829	4.124	70	20	DIID	
C[C@H](c1cccs1)N(C)C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F	160914946	IOCGFQMFSAHRSB-RAIGVLPGSA-N	321.392	4.349	70	20	DIID	
CC1(C)CCC(CC(=O)NC2CCN(C3CCCC3)CC2)CC1	160956972	SFCMJZMOXWTKTK-UHFFFAOYSA-N	320.521	4.116	70	20	DIID	
CC[C@H](CC(=O)N1CCC[C@H]1c1ccc(COC)o1)C(C)C	161203519	HBVDWBIKUWRFHP-ZBFHGGJFSA-N	307.434	4.162	70	20	DIID	
CCC(=O)c1ccc(OCc2cnn(-c3ccccc3)c2)cc1	217943611	GPDKYOIUTFBKCB-UHFFFAOYSA-N	306.365	4.044	70	20	DIID	
Cc1cc(F)cc(NC(=O)c2cnn(CC(C)C)c2C2CC2)c1	160834971	FZXOQLZAALJBRQ-UHFFFAOYSA-N	315.392	4.116	70	20	DIID	
C[C@H](N[C@H]1CCN2CCCC[C@@H]12)c1ccc(Cl)cc1Cl	217685235	JRUBEORZRXYQNN-UVBJJODRSA-N	313.272	4.271	70	20	DIID	
CCCCn1ncc(NC(=O)N2CCCC[C@@H]2CC(C)C)c1C	159767454	NPVKBUQQZOYMFJ-MRXNPFEDSA-N	320.481	4.424	70	20	DIID	
C[C@H](CC(=O)N1CCC[C@@](C)(c2ccccc2)C1)c1ccncc1	160380389	PHGLKYYDBLIJPG-DYESRHJHSA-N	322.452	4.156	70	20	DIID	
COc1ccc([C@H](C)N(C)C(=O)c2ccc(C(C)C)nc2)cc1	160742717	PURBKULBBWLPGQ-AWEZNQCLSA-N	312.413	4.047	70	20	DIID	
CCCNC(=O)c1cccc(CN[C@@H](C)c2cc(C)ccc2C)c1	160767728	YOLRKJXLYUUISA-KRWDZBQOSA-N	324.468	4.294	70	20	DIID	
CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)NCc2ccccc2Cl)C1	217314149	AYRINNZIROTQDS-KBXCAEBGSA-N	320.864	4.450	70	20	DIID	
Cc1ccc(Cl)cc1NC(=O)NCCc1cccc(F)c1	217437707	UWLBBJNERANCSS-UHFFFAOYSA-N	306.768	4.152	70	20	DIID	
CC[C@@H](NCc1ccc(OC(C)C)nc1)c1cc(F)ccc1F	160051500	SLYHQYGPEALGKI-QGZVFWFLSA-N	320.383	4.388	70	20	DIID	
COc1ccc(NC(C)=O)cc1NCc1cc(Cl)ccc1F	160060766	MFMZQXHJTVNFMI-UHFFFAOYSA-N	322.767	4.058	70	20	DIID	
Cc1nc(C)c(C(=O)N2C[C@H](C)CSc3ccccc32)s1	159559560	KHPCXDSSNMKGHZ-JTQLQIEISA-N	318.467	4.149	70	20	DIID	
CCC(CC)n1nccc1C(=O)N[C@H]1CCCc2sccc21	160007761	DAKNMHILBUYPRB-AWEZNQCLSA-N	317.458	4.113	70	20	DIID	
Cc1cccc([C@@H](C)NC(=O)C[C@@H](C)c2c(C)n[nH]c2C)c1C	160091477	NCUUPNOEVFSCSA-TZMCWYRMSA-N	313.445	4.014	70	20	DIID	
CCc1ccc([C@@H](C)NC(=O)NCc2ccc(Cl)cc2)cc1	217315261	XHUYZZLVQUZFSB-CYBMUJFWSA-N	316.832	4.463	70	20	DIID	
COCCCOc1ccccc1NC(=O)C1CCC(C)(C)CC1	159373362	FNMBOVKXBMKPEU-UHFFFAOYSA-N	319.445	4.257	70	20	DIID	
c1ccc(CSCCCSc2nnc(C3CC3)[nH]2)cc1	160074630	IIZKLLBYCWGRPL-UHFFFAOYSA-N	305.472	4.098	70	20	DIID	
Cc1cccc(C(=O)N[C@@H]2CCSc3ccc(F)cc32)c1F	160102577	QBIIOALOCYSHHU-CQSZACIVSA-N	319.376	4.240	70	20	DIID	
CC(C)CC1(C(=O)N[C@@H]2CCOC3(CCCC3)C2)CCCC1	160154078	NHWPLTFYJQFYLB-MRXNPFEDSA-N	307.478	4.201	70	20	DIID	
c1ccc(-c2csc(N[C@@H]3CCO[C@H](C4CC4)C3)n2)cc1	160395721	WYWBIQLVFHZDER-ZBFHGGJFSA-N	300.427	4.180	70	20	DIID	
Cc1csc([C@@H](NC(=O)c2ccc(Cl)cc2C)C2CC2)n1	160629063	RIEFJXYRXRXOOV-AWEZNQCLSA-N	320.845	4.294	70	20	DIID	
C[C@@H](CC(=O)c1cccs1)NC(=O)c1ccc2ccccc2c1	160774509	SFDRDSCUBSQEGX-ZDUSSCGKSA-N	323.417	4.293	70	20	DIID	
Brc1cccc([C@@H]2CCCN2Cc2ccco2)c1	217263209	DZUZFQQYUXPUSB-HNNXBMFYSA-N	306.203	4.379	70	20	DIID	
COc1ccc(NC(=O)NCCc2ccc(C)cc2)cc1Cl	217307726	HMUSACLIJUHAMY-UHFFFAOYSA-N	318.804	4.021	70	20	DIID	
C[C@H](C(=O)Nc1cc(F)ccc1OC(F)F)c1ccsc1	159371511	GSXBECHZNMYDTD-QMMMGPOBSA-N	315.316	4.231	70	20	DIID	
C[C@@H]1CSc2ccccc2N(C(=O)Cc2ccsc2)C1	159572663	ORFYGTMBAZUDSI-LBPRGKRZSA-N	303.452	4.066	70	20	DIID	
CCc1cccc(C)c1NC(=O)c1ccc(N(C)C)cc1F	160068449	LOGZPAAXUUSRPY-UHFFFAOYSA-N	300.377	4.015	70	20	DIID	
Cc1ncc([C@@H](C)N[C@@H](C)c2ccc3c(c2)CCCC3)c(C)n1	160294159	ALWJFAYBIUKNCQ-UONOGXRCSA-N	309.457	4.384	70	20	DIID	
CC[C@H](NCc1ccc(OC(C)C)nc1)c1ccc(F)cc1	160766112	BFJNMMHIYSNNJY-KRWDZBQOSA-N	302.393	4.249	70	20	DIID	
CSc1cccc(NC(=O)[C@@H](C)c2c(F)cccc2F)c1	160921351	RTOUKLPFURNWGS-JTQLQIEISA-N	307.365	4.429	70	20	DIID	
Cc1ccccc1NC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1	160929383	PHPWUFKCIIRXLB-WMZOPIPTSA-N	310.397	4.037	70	20	DIID	
CC(C)[C@@H](C(=O)N(C)Cc1cccn1C)c1cccc(Cl)c1	161010998	KPZPJFKNAQCPIW-QGZVFWFLSA-N	318.848	4.077	70	20	DIID	
CC[C@@H](N[C@@H](C)c1nc(C(C)C)no1)c1ccc(F)cc1F	161041497	UGJOYKUCGWDIHG-IINYFYTJSA-N	309.360	4.273	70	20	DIID	
Cc1cccc(-c2cncc(C(=O)Nc3cc(C)ccn3)c2)c1	159529164	ZLCPIXSWNFNOJM-UHFFFAOYSA-N	303.365	4.013	70	20	DIID	
C[C@H]1CSc2ccccc2N(C(=O)Cc2ccsc2)C1	159572557	ORFYGTMBAZUDSI-GFCCVEGCSA-N	303.452	4.066	70	20	DIID	
CCOc1ccc(NC(=O)c2cc(F)c(Cl)cc2F)cc1	160715902	SKWHQICOBZAETF-UHFFFAOYSA-N	311.715	4.269	70	20	DIID	
O=C(c1cc(F)cc2cccnc12)N1CCCc2cc(F)ccc21	160945167	CUAHAXUUVBEIFY-UHFFFAOYSA-N	324.330	4.106	70	20	DIID	
Cc1ccc(C)c(C(=O)N[C@H](C[C@H]2CCOC2)c2ccccc2)c1	159484817	RPDHSPJMDUYMEN-YLJYHZDGSA-N	323.436	4.201	70	20	DIID	
C[C@H](N[C@@H]1CCOC(C)(C)C1)c1ccccc1C(F)(F)F	159939109	HRJWAWOVOCSNFJ-NWDGAFQWSA-N	301.352	4.314	70	20	DIID	
CC(C)(C)c1nnc(N[C@H]2CCO[C@@H](c3ccccc3)C2)s1	160682354	ZPHQZBFAVYJFKT-UONOGXRCSA-N	317.458	4.168	70	20	DIID	
O=C(c1cccnc1)N1CCCC[C@H]1CCCc1ccccc1	161173984	YTCIYRBWYNKFQE-IBGZPJMESA-N	308.425	4.099	70	20	DIID	
CC[C@H](C(=O)N[C@H]1CCC[C@H](SC)C1)c1ccc(F)cc1	160101274	SMPYDMJLPCFTBW-JYJNAYRXSA-N	309.450	4.110	70	20	DIID	
Cc1cc(N[C@H]2CCO[C@H](C3CC3)C2)c2cc(F)ccc2n1	160302982	FKXOWNVJNKMSLS-KSSFIOAISA-N	300.377	4.052	70	20	DIID	
CC[C@H](N[C@@H](C)C(=O)Nc1ccccc1)c1ccc(F)cc1F	160908140	BYESHYHVJVQEDY-SJCJKPOMSA-N	318.367	4.033	70	20	DIID	
O=C(Nc1ccc(F)cc1F)N[C@@H]1CCCc2sccc21	161167434	YHHWUVKNKSRYHR-GFCCVEGCSA-N	308.353	4.225	70	20	DIID	
Cc1noc(C)c1CCSCc1cc(-c2ccccc2)on1	160107065	ILVIETYARYTKPE-UHFFFAOYSA-N	314.410	4.422	70	20	DIID	
FC(F)(F)c1ccc(N[C@@H]2CCO[C@@H](c3ccccc3)C2)nc1	160550757	REHWZYOFTNWOPV-HUUCEWRRSA-N	322.330	4.433	70	20	DIID	
Cc1ccc(C(=O)N(C)C2CCC2)c(Sc2ccccc2)n1	161144880	IAMXULUSUZFGKL-UHFFFAOYSA-N	312.438	4.166	70	20	DIID	
CCC(CC)n1nccc1C(=O)Nc1cc(Cl)ccc1C	160933748	UVWIOIRFWGPING-UHFFFAOYSA-N	305.809	4.458	70	20	DIID	
CCCCOc1ccc(NC2CCC(NC(C)=O)CC2)c(C)c1	161098334	FJVNJCLHAWHCQV-UHFFFAOYSA-N	318.461	4.033	70	20	DIID	
C[C@@H]1CC[C@@H](C)N1C(=O)c1csc(-c2cccc(Cl)c2)n1	161433511	DFXJHQQOWCPMAH-GHMZBOCLSA-N	320.845	4.477	70	20	DIID	
Cc1ccc2c(c1)OCCC[C@H]2NCc1ccc(CN(C)C)cc1	160861581	FHSVBNNIIWIEDG-HXUWFJFHSA-N	324.468	4.060	70	20	DIID	
CC1(C)CCC(CC(=O)Nc2nnc(C(F)F)s2)CC1	161162178	ALSXKYKMCODRTA-UHFFFAOYSA-N	303.378	4.021	70	20	DIID	
COc1cc(C)ccc1NC(=O)NCC(C)(C)c1cccs1	217198750	UWRUFISJXUAMHO-UHFFFAOYSA-N	318.442	4.164	70	20	DIID	
CC[C@@H](NC(=O)Nc1ccccc1C(C)(C)C)[C@@H]1CCCO1	159425525	ZREMZUSAWGGAAR-ZBFHGGJFSA-N	304.434	4.063	70	20	DIID	
Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NCCC(C)(C)C	159726892	PNPXBIOLFLPEPZ-JTQLQIEISA-N	305.388	4.149	70	20	DIID	
Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2cccc3[nH]cnc23)o1	159750530	IRVVFAAVKNBEFN-LRDDRELGSA-N	323.396	4.078	70	20	DIID	
Cc1nccc(NC(=O)NC[C@@H](C)Cc2cccs2)c1Cl	159831343	GXJPGTBKTVBQDH-JTQLQIEISA-N	323.849	4.105	70	20	DIID	
CC[C@@H](NC(=O)CCc1ccc(C)cc1C)c1c(C)noc1C	160442201	MOIYNXUWFBKMCY-QGZVFWFLSA-N	314.429	4.108	70	20	DIID	
CCCNC(=O)c1cccc(CN[C@H](CC)c2cccs2)c1	160592494	TXFGVKWTTBXMBV-MRXNPFEDSA-N	316.470	4.129	70	20	DIID	
CCOC(CCN[C@@H](C)c1ccc(Cl)cc1Cl)OCC	159532074	CXTYQIFCKYTPPZ-NSHDSACASA-N	320.260	4.433	70	20	DIID	
CCN(C(=O)c1cc(C)c(C)o1)C12CC3CC(CC(C3)C1)C2	159889615	YNEXBBVGXJUFNX-UHFFFAOYSA-N	301.430	4.327	70	20	DIID	
Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N[C@H](CCC(C)C)C(C)(C)C	159977313	VSAPPHKCFUTBBU-XJKSGUPXSA-N	321.509	4.487	70	20	DIID	
C[C@H](CC(=O)N[C@@H]1CCC[C@@H]1c1ccccc1)c1ccncc1	160556447	SPGBIIKCYFIHAE-ATZDWAIDSA-N	308.425	4.028	70	20	DIID	
CC1=C(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)CCCO1	160938837	CAXBDCRCAWZSFV-AWEZNQCLSA-N	323.845	4.078	70	20	DIID	
CC[C@@H](S[C@@H](C)C(=O)NCC(F)(F)F)c1ccc(F)cc1	161350859	ZGAVJSNWIXDCOL-JOYOIKCWSA-N	323.355	4.077	70	20	DIID	
CCOc1ccc(Cl)cc1CCN[C@H](C)c1ccncc1	160008896	LSHLWQJFGIWLBE-CYBMUJFWSA-N	304.821	4.027	70	20	DIID	
O=C(Nc1ccccc1Sc1ccccc1)[C@@H]1CCCCO1	160347950	BCUGGERNMSMLTP-INIZCTEOSA-N	313.422	4.345	70	20	DIID	
CC[C@@](C)(NCCC(=O)c1ccc(C)cc1)c1nc(C)cs1	160636271	CRXCBQNRXJSXJL-GOSISDBHSA-N	316.470	4.248	70	20	DIID	
CC[C@H]1CCCC[C@@H]1N(C)C(=O)c1cc(C(C)C)nn1CC	161182480	OCULMHBINFETRG-HOCLYGCPSA-N	305.466	4.067	70	20	DIID	
CO[C@@H](CNC(=O)c1ccc(Cl)cc1)c1ccccc1Cl	218313175	AHMWYWPQTVQUOP-HNNXBMFYSA-N	324.207	4.111	70	20	DIID	
CO[C@@H](CNC(=O)Nc1cccc(C)c1)c1ccccc1Cl	218353778	KKDAZGAOEHERNB-INIZCTEOSA-N	318.804	4.158	70	20	DIID	
CCOc1ccccc1N(C)Cc1csc([C@@H](C)OCC)n1	159411332	FJJXPMGNLHWMJR-CYBMUJFWSA-N	320.458	4.276	70	20	DIID	
C[C@H]1C[C@@H](NCc2cn3ccccc3n2)c2ccsc2S1	159414369	FICRESRZPDJJGZ-SMDDNHRTSA-N	315.467	4.111	70	20	DIID	
Cc1nn(C)cc1CNCCC(c1ccccc1)c1ccccc1	159555306	DBWLCAIZKYKMQM-UHFFFAOYSA-N	319.452	4.040	70	20	DIID	
CC[C@H](NC(=O)[C@@H]1CCCc2sccc21)c1c(C)noc1C	160098986	INXIQYVXOQWJHP-KGLIPLIRSA-N	318.442	4.040	70	20	DIID	
CCCNC(=O)c1cccc(CN[C@@H](CCC)c2ccccc2)c1	160559762	SDTUDKPJFAAHFD-FQEVSTJZSA-N	324.468	4.457	70	20	DIID	
Cc1ccc([C@@H](C)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)o1	161040697	AZUZEKPPYQZGAK-AUUYWEPGSA-N	315.413	4.407	70	20	DIID	
CCCn1c(C)nnc1CN[C@@H](c1ccc(CC)cc1)C(C)C	161481494	MSDSYQIYSLRDTO-LJQANCHMSA-N	314.477	4.046	70	20	DIID	
Cc1ccc(NC(=O)NCCc2ccccc2C)cc1Cl	217315606	WJDHJRRBWDLFDB-UHFFFAOYSA-N	302.805	4.321	70	20	DIID	
CC[C@H](CC(=O)N[C@H](C[C@@H]1CCOC1)c1ccccc1)C(C)C	159560688	WWKWAOXHROTIOA-YQVWRLOYSA-N	317.473	4.343	70	20	DIID	
Cc1cc(C)c(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)[nH]1	160194276	CDJVCRBUCRIJFF-CYBMUJFWSA-N	320.845	4.252	70	20	DIID	
COc1ccc(N(C)C(=O)[C@@H](C)c2cccs2)cc1Cl	160194482	RTHJBKOFNBULSR-JTQLQIEISA-N	309.818	4.177	70	20	DIID	
C[C@H](CC1CCCC1)C(=O)N[C@H]1CCOC2(CCCCC2)C1	160444098	RYPGDGSFTVWZIG-WBVHZDCISA-N	307.478	4.201	70	20	DIID	
CC[C@@H](C)OCC(=O)N(CC)[C@@H](C)c1cc2ccccc2o1	160803612	ISCPKBRBEVOJGX-KGLIPLIRSA-N	303.402	4.157	70	20	DIID	
C[C@@H](c1nc(Cc2ccccc2)no1)c1c(F)cccc1F	160803760	KVJCFHVEOSSTET-LLVKDONJSA-N	300.308	4.090	70	20	DIID	
CCc1ccc(NC(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)cc1	161016949	JGSDMWUQPYELQH-OALUTQOASA-N	324.424	4.291	70	20	DIID	
CC[C@H](C)C[C@@H](C)NC1CCC(NC(=O)OC(C)(C)C)CC1	218112819	OZOCNCFVNBSWRB-QRNKSROTSA-N	312.498	4.237	70	20	DIID	
COc1ccc(CN(C)Cc2cnc(C(C)(C)C)s2)cc1	159865590	CGEOTEXTYUBVNQ-UHFFFAOYSA-N	304.459	4.081	70	20	DIID	
C[C@@H](C(=O)N[C@H]1CCCc2sccc21)c1c(F)cccc1F	159950573	FCZVXERVIJCDES-YGRLFVJLSA-N	321.392	4.324	70	20	DIID	
COc1cccc2cc([C@H](C)N[C@H]3CCOC(C)(C)C3)oc12	159953706	UFDLPYGRNDBWDZ-JSGCOSHPSA-N	303.402	4.050	70	20	DIID	
CCC(CC)n1ncc(C(=O)N(C)[C@@H](C)c2cccs2)c1C	160016838	RAPNLGXYWRKBGV-ZDUSSCGKSA-N	319.474	4.447	70	20	DIID	
CCC(CC)n1nccc1C(=O)N[C@H](C)c1ccc(F)cc1F	160620064	IJOXHSXPRBFQEP-LLVKDONJSA-N	321.371	4.013	70	20	DIID	
CN(C)C1(CNC2CC(c3ccccc3Cl)C2)CCCC1	160709144	KPKBUVMQDVIBDU-UHFFFAOYSA-N	306.881	4.050	70	20	DIID	
CCOCc1ccccc1CNCc1cc(F)cc(Cl)c1	160894240	FODMSUATFNNXCI-UHFFFAOYSA-N	307.796	4.305	70	20	DIID	
CN(CCC1CC1)C(=O)Nc1cccc(CCC(F)(F)F)c1	159956308	CKMPOLGBDIGYHA-UHFFFAOYSA-N	314.351	4.445	70	20	DIID	
Cc1nc(CC(=O)Nc2ccccc2SC(C)C)c(C)s1	159567040	RKOMOXXGHPPTKF-UHFFFAOYSA-N	320.483	4.442	70	20	DIID	
Cc1cnc([C@H](Nc2nc(C(C)(C)C)ns2)C2CC2)s1	159656270	BVAGDGBXYISFBU-SNVBAGLBSA-N	308.476	4.164	70	20	DIID	
CC[C@H](NC(=O)c1cc2c(s1)CCCC2)c1c(C)noc1C	160524525	SVYCQQDQRFXCBN-ZDUSSCGKSA-N	318.442	4.113	70	20	DIID	
CC(C)CC[C@H](NC(=O)c1cc2c(s1)CCOC2)C(C)(C)C	217209418	WLNHXZNMXFOLLI-INIZCTEOSA-N	323.502	4.402	70	20	DIID	
CCOc1ccccc1N(C)Cc1csc([C@H](C)OCC)n1	159411439	FJJXPMGNLHWMJR-ZDUSSCGKSA-N	320.458	4.276	70	20	DIID	
Cc1nc(-c2cccnc2)sc1[C@@H](C)N[C@H]1CCCSC1	159600544	TWEHDXRMZUMEHQ-RISCZKNCSA-N	319.499	4.060	70	20	DIID	
CCN(C(=O)Nc1cccc(N2CCC(C)CC2)c1)C(C)C	159771946	GNQDTCZDFHJUQH-UHFFFAOYSA-N	303.450	4.185	70	20	DIID	
CCOc1ccc([C@H](C)N[C@H](C)c2cncc(F)c2)cc1OC	159969964	MTJDHRBWOWVWMI-QWHCGFSZSA-N	318.392	4.040	70	20	DIID	
CC(C)(C)n1cnnc1SCCCSCc1ccccc1	160126927	KJOORZOXVZMQJC-UHFFFAOYSA-N	321.515	4.449	70	20	DIID	
O=C(CCc1ccc(F)cc1F)N1CCC[C@@H]1C1CCCC1	160253314	FSYITTZKPHOSPI-QGZVFWFLSA-N	307.384	4.079	70	20	DIID	
C/C=C(\C=C\C(=O)Nc1c(C)nn(-c2ccccc2)c1C)CC	160439868	IXECYCCKFKCXLX-IARPEOLWSA-N	309.413	4.340	70	20	DIID	
CC[C@@H](NC(=O)[C@@H](C)CC1CCCCC1)c1c(C)noc1C	160466957	KCUIDHMYCLZDAP-BLLLJJGKSA-N	306.450	4.465	70	20	DIID	
COCc1ccc(CN(C)Cc2ccc(OC(F)F)cc2)cc1	160622530	WPBKVFHOKMNZKK-UHFFFAOYSA-N	321.367	4.066	70	20	DIID	
CC1(C)C[C@@H](NC(=O)Nc2ccc3c4c(cccc24)CC3)CCO1	161447143	PSZNUTLVUAFPDI-HNNXBMFYSA-N	324.424	4.018	70	20	DIID	
CC[C@@H](C)N1CCC(Oc2cccc(Br)c2)CC1	217270736	VKXIFEBDMMRAPV-GFCCVEGCSA-N	312.251	4.091	70	20	DIID	
CC(C)C[C@@H](CO)NC(=O)Nc1ccc(C(C)C)cc1C(C)C	217229751	CSVNVAGMNJDIMM-INIZCTEOSA-N	320.477	4.462	70	20	DIID	
CC1CCN(c2cccc(NC(=O)N3CCCCCC3)c2)CC1	159755658	AAZXGUJQSXCGIS-UHFFFAOYSA-N	315.461	4.331	70	20	DIID	
O=C(N[C@H]1CCCc2sccc21)[C@@H]1CSc2ccccc21	160003512	HJQZTLPGGPFTCI-KGLIPLIRSA-N	315.463	4.131	70	20	DIID	
COc1ccc(C)cc1[C@@H](C)NCc1ccc(OC(C)C)nc1	160065177	SQKYBCKYAXTHNG-OAHLLOKOSA-N	314.429	4.037	70	20	DIID	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N(Cc1ccccc1)C1CC1	160446473	JRQAKEXZMQKTCB-SJORKVTESA-N	311.450	4.351	70	20	DIID	
CCN(Cc1ccccn1)[C@H](C)c1ncc(-c2ccccc2)o1	161062142	VESBDBLPAVZUMR-OAHLLOKOSA-N	307.397	4.320	70	20	DIID	
CC(C)=CCOC(=O)Cc1csc(-c2cccc(C)c2)n1	217512406	PUNJVPLDXDTMJZ-UHFFFAOYSA-N	301.411	4.170	70	20	DIID	
CC[C@@H](N[C@@H](C)C(=O)N1CCC(C)CC1)c1ccc(Cl)cc1	218034198	KJJNSWQNLGEGOH-WMLDXEAASA-N	322.880	4.028	70	20	DIID	
Cc1ccc(C)c(C(=O)N[C@@H](C[C@H]2CCOC2)c2ccccc2)c1	159484685	RPDHSPJMDUYMEN-XLIONFOSSA-N	323.436	4.201	70	20	DIID	
O=C(NCCc1cc2ccccc2[nH]1)[C@H]1CCCc2sccc21	159673507	ISCIWLGZGAQHKZ-INIZCTEOSA-N	324.449	4.008	70	20	DIID	
Cc1cccc([C@H]2CCCN2Cc2nc(C(C)(C)C)cs2)n1	159771324	TWWFRHFANBFECS-OAHLLOKOSA-N	315.486	4.481	70	20	DIID	
CCCn1nccc1CN[C@H](C)c1ccc(Cl)c(Cl)c1	159978994	ODPWAXHIASDVIY-LLVKDONJSA-N	312.244	4.451	70	20	DIID	
Cc1nc(Cl)ccc1C(=O)Nc1ccc(COC(C)C)cc1	161042763	OLEYNDPWPFCRFZ-UHFFFAOYSA-N	318.804	4.221	70	20	DIID	
Cc1ocnc1C(=O)N1CCCC[C@@H]1CCCc1ccccc1	161157196	ZXJSQALWUKHLOQ-QGZVFWFLSA-N	312.413	4.001	70	20	DIID	
CCC(CC)C(=O)N[C@H](C)c1noc(-c2ccc(Cl)cc2)n1	160316995	JXERAAIZUMJICF-SNVBAGLBSA-N	321.808	4.003	70	20	DIID	
CCC(CC)CNC(=O)N1CCCCC[C@@H]1c1ccncc1	160601866	XGOFIGQDLXHNFK-QGZVFWFLSA-N	303.450	4.145	70	20	DIID	
C[C@@H]1CCc2nc(CN[C@H]3CCCc4sccc43)sc2C1	160993419	ARBJAMRRGRKMQM-YPMHNXCESA-N	318.511	4.497	70	20	DIID	
Cc1ccc(C(=O)N2C[C@@H](C)CSc3ccccc32)s1	159501364	OHRKPMULEAPWHK-LLVKDONJSA-N	303.452	4.445	70	20	DIID	
CC1CCN(c2cccc(NC(=O)N3CCCC[C@H]3C)c2)CC1	159714753	PUXGYQKRGFRHMZ-MRXNPFEDSA-N	315.461	4.329	70	20	DIID	
CSCC[C@@H](C)N(C)C(=O)c1ccc(F)cc1C(F)(F)F	159994280	SLGHKYYBJOHIAE-SECBINFHSA-N	323.355	4.058	70	20	DIID	
CC[C@@H](CN[C@@H](C)c1cnn(C(C)C)c1)Oc1ccccc1F	160333480	CXZZFAAJDOHEJU-HOCLYGCPSA-N	319.424	4.111	70	20	DIID	
Cc1nc(COC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)c(C)s1	160445236	DWMAZGAWBOWLCQ-QWRGUYRKSA-N	321.364	4.172	70	20	DIID	
COc1cc(CCC(=O)N2[C@H](C)CCC[C@H]2C)ccc1Cl	160768269	WRLOTOABCUIUEZ-CHWSQXEVSA-N	309.837	4.071	70	20	DIID	
CCCCc1ccc(NC(=O)N[C@H]2CCO[C@@H](C3CC3)C2)cc1	160976089	JKTANYCALIABGI-ZWKOTPCHSA-N	316.445	4.108	70	20	DIID	
Cc1cccc(C(=O)Nc2cc(Cl)ccc2N(C)C)c1F	161411686	TYOGQFJXGSPACN-UHFFFAOYSA-N	306.768	4.106	70	20	DIID	
COc1ccc(C(=O)Nc2ccccc2-c2ccccc2)c(O)c1	218308519	UXSDAEGSOAWWQR-UHFFFAOYSA-N	319.360	4.320	70	20	DIID	
C[C@H](N[C@H]1CCOC(C)(C)C1)c1ccccc1C(F)(F)F	159939350	HRJWAWOVOCSNFJ-RYUDHWBXSA-N	301.352	4.314	70	20	DIID	
O=C(N[C@@H]1CCCc2sccc21)[C@H]1CSc2ccccc21	160003405	HJQZTLPGGPFTCI-UONOGXRCSA-N	315.463	4.131	70	20	DIID	
CCCNC(=O)c1cccc(CN[C@H](C)c2ccc(C)s2)c1	160560959	LBHSANBPSNYUCL-CQSZACIVSA-N	316.470	4.047	70	20	DIID	
CC1(C)C[C@@H](NC(=O)Nc2cccc(Cl)c2Cl)CCO1	160804994	HIMNVNWVSRMWNQ-VIFPVBQESA-N	317.216	4.073	70	20	DIID	
C[C@@H](N[C@@H](CCCO)c1ccccc1)c1cc(F)cc(F)c1	160805505	GVGXNJSAMUIOHB-ACJLOTCBSA-N	305.368	4.129	70	20	DIID	
CC(C)Sc1ccccc1NC(=O)c1cnn(C(C)(C)C)c1	160921969	JCRVXMJGFILUKJ-UHFFFAOYSA-N	317.458	4.391	70	20	DIID	
CCc1ccc(C(C)(C)CNC(=O)C[C@H](C)c2ccncc2)cc1	161316495	OLYSGKSJUCYSHO-INIZCTEOSA-N	324.468	4.232	70	20	DIID	
Cc1ccc(C(=O)Nc2[nH]nc(-c3ccc(C)o3)c2C)c(C)c1	161369825	RNHUOVWGGCJGKM-UHFFFAOYSA-N	309.369	4.156	70	20	DIID	
CO[C@@H](CNC(=O)CC1CCCCC1)c1ccccc1Cl	218311528	PKIDNBQFLRWRLA-INIZCTEOSA-N	309.837	4.114	70	20	DIID	
CCCC(O)(CCC)CC(=O)Nc1ccc(COC(C)C)cc1	160445277	RRQYBTORUTXMBU-UHFFFAOYSA-N	321.461	4.272	70	20	DIID	
CC(C)CSCCCNC(=O)c1ccccc1C(F)(F)F	160725311	KQIVLPFKXFVDKC-UHFFFAOYSA-N	319.392	4.215	70	20	DIID	
C[C@H](c1ccc(F)cc1)N(C)Cc1noc(C2CCCCC2)n1	160795155	MGOIHNCANAXBAQ-CYBMUJFWSA-N	317.408	4.449	70	20	DIID	
COc1cccc([C@H](CN[C@H](C)c2ccccc2)N2CCCC2)c1	216667209	XGAVUSLOUUHUCK-UTKZUKDTSA-N	324.468	4.183	70	20	DIID	
CC(C)c1nnc(SCCCSCc2ccccc2)n1C	160121392	CODUVKBECUQYKD-UHFFFAOYSA-N	321.515	4.354	70	20	DIID	
CC(C)OCc1cccc(NC(=O)N2CC[C@@H](C)[C@@H](C)C2)c1	160256290	QTBFVZVVMZMHCU-CABCVRRESA-N	304.434	4.121	70	20	DIID	
CCCOCC(=O)Nc1ccccc1Oc1cc(F)cc(F)c1	161506442	MTXWKJXCWUENFO-UHFFFAOYSA-N	321.323	4.122	70	20	DIID	
Cc1ccc(Cc2nc(C(=O)N3[C@@H](C)CC[C@H]3C)cs2)cc1	159894290	PRZDEPFKFWBUPT-OKILXGFUSA-N	314.454	4.055	70	20	DIID	
Cc1nc(C(C)(C)C)sc1[C@@H](C)N[C@H]1CCOC(C)(C)C1	159982314	DYKBURCUKBTQJB-YPMHNXCESA-N	310.507	4.357	70	20	DIID	
CC[C@H](C(=O)N[C@@H]1CCC[C@H](SC)C1)c1ccc(F)cc1	160101029	SMPYDMJLPCFTBW-PMPSAXMXSA-N	309.450	4.110	70	20	DIID	
CC[C@H](C(=O)N1CCC(C(F)(F)F)CC1)c1ccc(F)cc1	160577025	SHUKFPPCLPXICO-AWEZNQCLSA-N	317.326	4.120	70	20	DIID	
Cc1cccc(NC(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)c1C	160932541	CXNJJRAUQZAUBU-HKUYNNGSSA-N	324.424	4.345	70	20	DIID	
CCOc1cccc(NC(=O)c2cc(F)cc3cccnc23)c1	161312233	PYPGWSIPUUICCZ-UHFFFAOYSA-N	310.328	4.025	70	20	DIID	
Cc1cccc(C)c1NC(=O)NCCC1Cc2ccccc2C1	159487796	JLQNNLPGPNTTFR-UHFFFAOYSA-N	308.425	4.230	70	20	DIID	
Cc1cccc([C@H]2CCCN2Cc2cccc(OC(F)F)c2)n1	159720540	ROQBWQYUGHFEAS-QGZVFWFLSA-N	318.367	4.329	70	20	DIID	
Cc1c(CN[C@@H](CCc2ccccc2)c2ccccc2)cnn1C	160455870	HUSHUDJQVVDYTM-NRFANRHFSA-N	319.452	4.192	70	20	DIID	
CCC(CC)c1nnc(NC(=O)N2CC[C@@H]3CCCC[C@@H]32)s1	160629474	UOXYPFNCAUEDQS-STQMWFEESA-N	322.478	4.238	70	20	DIID	
CC(C)Sc1ccccc1NC(=O)c1ccc2[nH]ncc2c1	160885515	IYDMSPCZHDWPJX-UHFFFAOYSA-N	311.410	4.316	70	20	DIID	
COc1cc(C)ccc1NC(=O)NC(C)(C)c1ccc(F)cc1	216818754	YNUOHGQRIWMBKI-UHFFFAOYSA-N	316.376	4.200	70	20	DIID	
C[C@@H]1CSc2ccccc2N(C(=O)CC[C@@H]2CC[C@@H](C)O2)C1	159569240	LIUNFOVESDQVDE-ZNMIVQPWSA-N	319.470	4.109	70	20	DIID	
CC(C)(C)c1nnc(SCc2noc(C3CCCCC3)n2)o1	159603294	SXONZQNAOZPORQ-UHFFFAOYSA-N	322.434	4.090	70	20	DIID	
Cc1cc(N[C@@H]2CCO[C@@H](C3CC3)C2)c2cc(F)ccc2n1	160303103	FKXOWNVJNKMSLS-RDTXWAMCSA-N	300.377	4.052	70	20	DIID	
CCc1ccsc1C(=O)NCCc1csc(C(C)(C)C)n1	160634788	WUZRMPFGFQGGNK-UHFFFAOYSA-N	322.499	4.037	70	20	DIID	
CCOCc1cccc(NC(=O)c2ccc(F)c(SC)c2)c1	160738775	GJYOGECZVWQDFH-UHFFFAOYSA-N	319.401	4.336	70	20	DIID	
CC(=O)Nc1ccc(C)c(NCc2cc(F)cc(Cl)c2)c1	160879271	TZPYHRGEGQKQBT-UHFFFAOYSA-N	306.768	4.358	70	20	DIID	
CCCn1nc(C)c(C(=O)Nc2cc(Cl)ccc2C)c1C	161284401	WEGNTPTWAFVGEV-UHFFFAOYSA-N	305.809	4.124	70	20	DIID	
Cc1cc(C)c(Br)c(C(=O)Nc2ccncc2C)c1	159872681	XDVPRJIXTZPRFO-UHFFFAOYSA-N	319.202	4.022	70	20	DIID	
CCC[C@@H](CCc1ccccc1)NC(=O)C[C@H](C)c1ccncc1	160806502	KEZYOJVOKOUEGQ-PXNSSMCTSA-N	324.468	4.493	70	20	DIID	
Cc1c(C(=O)N(C)Cc2cccn2C)oc2ccc(Cl)cc12	160945099	FKHNTDXLKRYAMW-UHFFFAOYSA-N	316.788	4.005	70	20	DIID	
Cc1cc(C(=O)N2CCCC[C@H]2CCCc2ccccc2)on1	161174858	MAKVWUCMCGTZKV-KRWDZBQOSA-N	312.413	4.001	70	20	DIID	
Cc1sc2nc([C@H](C)Sc3ccncc3)nc(N)c2c1C	160032390	CPHWOHGPYPTPDG-JTQLQIEISA-N	316.455	4.139	70	20	DIID	
Cc1noc(C)c1CCSCc1cc(-c2ccco2)on1	160137300	YLXWCFIQBLEYOO-UHFFFAOYSA-N	304.371	4.015	70	20	DIID	
Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1CCC[C@H](C(C)(C)C)CC1	160282499	HKEUGYZROLJUIN-CJNGLKHVSA-N	319.493	4.195	70	20	DIID	
O=C(N[C@H]1CCOC2(CCCCC2)C1)c1coc2ccccc12	160335632	RWZRGZFGEFTFDO-AWEZNQCLSA-N	313.397	4.045	70	20	DIID	
CCc1nc(C)c([C@@H](C)NCCCCc2nc(C)cs2)s1	160643659	QTJQOGVMCODCMR-GFCCVEGCSA-N	323.531	4.452	70	20	DIID	
C[C@H](CC(=O)Nc1ccccc1)N[C@@H]1CCCc2sccc21	160991187	YULXLXZYESOYRM-CZUORRHYSA-N	314.454	4.132	70	20	DIID	
C[C@@H]1CN(C(=O)C2CCC(C)(C)CC2)C[C@@H](c2ccsc2)O1	161209583	OJOUHCCVSVSVSS-CJNGLKHVSA-N	321.486	4.253	70	20	DIID	
Cc1cc(C(=O)O[C@H](C)c2ccccc2)c2cnn(C(C)C)c2n1	217163442	NDEBMCBQLUDECF-CQSZACIVSA-N	323.396	4.239	70	20	DIID	
CSc1cccc(NC(=O)NCCc2ccc(C)cc2)c1	217307806	HSDJVOUCMPAGEA-UHFFFAOYSA-N	300.427	4.081	70	20	DIID	
Cc1ccccc1CNC(=O)N1CCC(Cc2ccccc2)CC1	217313728	GLBFYDCUENNPPD-UHFFFAOYSA-N	322.452	4.159	70	20	DIID	
Cc1ccc(NC(=O)COc2ccc3[nH]ccc3c2)c(Cl)c1	160027078	BYQWGYJWROPHCN-UHFFFAOYSA-N	314.772	4.147	70	20	DIID	
Cc1nc(COC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)c(C)s1	160410701	MBRHHNLPWGEBEY-GHMZBOCLSA-N	321.364	4.172	70	20	DIID	
Cc1cc(C(=O)N2CCCC[C@@H]2CCCc2ccccc2)no1	161152969	LXZOJGHZTYOCBW-QGZVFWFLSA-N	312.413	4.001	70	20	DIID	
CCc1ncc(C(=O)N2C[C@@H](C)CSc3ccccc32)s1	159660104	LCXUCUDOSPTRII-LLVKDONJSA-N	318.467	4.094	70	20	DIID	
C[C@H]1CSc2ccccc2N(C(=O)CC[C@@H]2CCCCO2)C1	159677065	VWZUWOJIVDPMKR-CABCVRRESA-N	319.470	4.111	70	20	DIID	
Clc1ccc2c(N[C@H]3CCO[C@@H](C4CC4)C3)ccnc2c1	160309821	ZOPNZGGRQLQQKR-SUMWQHHRSA-N	302.805	4.258	70	20	DIID	
CCN(C(=O)Nc1ccc(COC2CCCC2)cc1)C(C)C	160583321	KONVLRZIEIWPCM-UHFFFAOYSA-N	304.434	4.408	70	20	DIID	
O=C(CCCn1cccc1)N[C@@H](c1ccc(F)cc1)C1CCC1	159409252	FIJQGCDZXWUAAY-LJQANCHMSA-N	314.404	4.065	70	20	DIID	
CC[C@H](C(=O)Nc1cccc(OCCF)c1)c1ccccc1	160496074	BTXYFMRQBZPVGQ-KRWDZBQOSA-N	301.361	4.167	70	20	DIID	
C[C@H](CC(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1)c1ccncc1	160719470	OPFJJHAWYMONNQ-NSISKUIASA-N	322.452	4.103	70	20	DIID	
Cc1ccc(CN[C@H](C)c2ccc(-c3ccncc3)cc2)cn1	161283272	FATOJOZWRGDVJU-MRXNPFEDSA-N	303.409	4.303	70	20	DIID	
Cc1cccc(CNC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c1	217314472	RJWMVMBRBAXNIX-INIZCTEOSA-N	322.452	4.434	70	20	DIID	
CC[C@H](N[C@H](CCO)CSC)c1ccc(Cl)c(Cl)c1	160212801	GLRLCCHQWBNBOA-RISCZKNCSA-N	322.301	4.148	70	20	DIID	
Cc1cccc(NC(=O)NCCC[C@H]2CCCC[C@H]2O)c1Cl	160271460	UGTRKDYDMWTKTC-UKRRQHHQSA-N	324.852	4.101	70	20	DIID	
COc1c(Cl)cccc1NC(=O)N1CC[C@@H]2CCCC[C@@H]21	160756816	TZUVTYPTBFKKAG-FZMZJTMJSA-N	308.809	4.145	70	20	DIID	
Cc1cccc(C(=O)Nc2cccc(Cl)c2N(C)C)c1F	161457795	JZTYQDZESRWRMI-UHFFFAOYSA-N	306.768	4.106	70	20	DIID	
CC[C@H](NCc1cn2ccccc2n1)c1cccc(Cl)c1F	161508051	QFBGGULLSDVTAD-HNNXBMFYSA-N	317.795	4.368	70	20	DIID	
CC(C)c1ccccc1OCCC(=O)Nc1c(F)cccc1F	160077141	SQKWZMZNGNUXGB-UHFFFAOYSA-N	319.351	4.496	70	20	DIID	
CCc1nc(CN[C@@H](c2cccc(Cl)c2)C2CCCC2)n[nH]1	160482743	BYUMIBMFGBXWND-QGZVFWFLSA-N	318.852	4.042	70	20	DIID	
COc1ccccc1[C@H](C)NCCCCc1nc(C)cs1	160663922	HBBWFUHURDCWCA-AWEZNQCLSA-N	304.459	4.134	70	20	DIID	
CCc1sc(C(=O)N[C@@H](CC)c2c(C)noc2C)cc1C	159940057	FQKPBNLZHPLXCY-LBPRGKRZSA-N	306.431	4.105	70	20	DIID	
Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N[C@@H](CCC(C)C)C(C)(C)C	159977022	VSAPPHKCFUTBBU-BBRMVZONSA-N	321.509	4.487	70	20	DIID	
CC(C)c1ccc(C(=O)N2CCCSc3ccccc32)cn1	160032318	GFONQMSQPIQASP-UHFFFAOYSA-N	312.438	4.348	70	20	DIID	
c1ccc(-c2cnc(N[C@H]3CCO[C@H](C4CC4)C3)s2)cc1	160323960	PKGOLXRWJVXJER-GJZGRUSLSA-N	300.427	4.180	70	20	DIID	
Cc1ccc(C)c(NC(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)c1	160916055	SODUCVOFUQISLV-HKUYNNGSSA-N	324.424	4.345	70	20	DIID	
CCN(Cc1ccccc1)C(=O)NCCc1cccc(Cl)c1	217459837	ZNMJVLJLGZKFTR-UHFFFAOYSA-N	316.832	4.114	70	20	DIID	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1cccc2cccnc12	159553516	PTGUFMSIXWFVFI-KBPBESRZSA-N	308.406	4.347	70	20	DIID	
CC[C@H](NC(=O)[C@H]1CCCc2sccc21)c1c(C)noc1C	160099236	INXIQYVXOQWJHP-KBPBESRZSA-N	318.442	4.040	70	20	DIID	
Cc1cccc([C@@H]2CCCN2Cc2ccccc2OC(F)F)n1	160106780	QCOPURFLZVSRRI-INIZCTEOSA-N	318.367	4.329	70	20	DIID	
CCOc1cc(C)ccc1NC(=O)c1cc(F)cc2cccnc12	161153561	ZOOVEUGCOOLIKN-UHFFFAOYSA-N	324.355	4.333	70	20	DIID	
O=C(c1ccncc1)N1CCCC[C@H]1CCCc1ccccc1	161240477	INQAKUFPGCABAY-IBGZPJMESA-N	308.425	4.099	70	20	DIID	
Cc1ccc(NC(=O)c2cncc(-c3ccc(Cl)cc3)c2)nc1	159882531	WQROFENHGHXZGG-UHFFFAOYSA-N	323.783	4.358	70	20	DIID	
C[C@H](c1cccs1)N(C)C(=O)c1cc(F)cc2cccnc12	160867688	FBBBUVUMQVLDCB-LLVKDONJSA-N	314.385	4.269	70	20	DIID	
COc1ccc2c(c1)[C@H](NCc1ccc(C)s1)CCCO2	160905473	OLDVUAFFRHFUKT-MRXNPFEDSA-N	303.427	4.069	70	20	DIID	
CCc1cnc(NC(=O)N2CCc3ccccc3[C@H]2CC)s1	161284095	KZTDIQYLIDLQOO-OAHLLOKOSA-N	315.442	4.247	70	20	DIID	
CC[C@@H](NC(=O)CC[C@@H](C)c1ccccc1)c1c(C)noc1C	160100410	OVRANLVFDFAIPK-CXAGYDPISA-N	314.429	4.443	70	20	DIID	
CC(C)(C)c1cnc([S@@](=O)Cc2ccc(F)cc2F)s1	160578778	BVXYJIRFLDQCFH-HXUWFJFHSA-N	315.410	4.027	70	20	DIID	
CC[C@H](NC(=O)c1cc(Cl)ccc1C)c1c(C)noc1C	160670594	WQYUZANJZSMHND-AWEZNQCLSA-N	306.793	4.134	70	20	DIID	
Cc1nc2cc(NC(=O)[C@H](C)OC3CCCCCC3)ccc2o1	159980827	MJKRJYXBNZPRLS-LBPRGKRZSA-N	316.401	4.203	70	20	DIID	
CC1(C)Cc2occc2[C@H](NC2CCN(C3CCCC3)CC2)C1	160473034	HUAGMGXOLYBQSZ-GOSISDBHSA-N	316.489	4.290	70	20	DIID	
C[C@H](CC(=O)N1CCC[C@@H](C(C)(C)C)CC1)c1ccncc1	160633721	BVCNXUAXFWZUSW-NVXWUHKLSA-N	302.462	4.250	70	20	DIID	
Cc1csc(CCCCN[C@@H]2CCCc3nc(C)sc32)n1	160693241	AAZWWBDYFLTTJN-CYBMUJFWSA-N	321.515	4.206	70	20	DIID	
CC(C)(C(=O)Nc1ccc(-c2csnn2)cc1)C1CCCC1	160713119	LYOMJPVSVCZPAA-UHFFFAOYSA-N	315.442	4.360	70	20	DIID	
COc1ccc2oc([C@H](C)NC(=O)NC3(C)CCC3)c(C)c2c1	160908286	NGYAAUNWQRYCPH-LBPRGKRZSA-N	316.401	4.053	70	20	DIID	
Cc1cccc(Cl)c1NS(=O)(=O)c1ccccc1Cl	161047079	YCWWLVMLWSHDCR-UHFFFAOYSA-N	316.209	4.103	70	20	DIID	
Cc1cccc(NC(=O)Nc2ccn(CCC(C)C)n2)c1C	160063194	LNWLACQCNNECNM-UHFFFAOYSA-N	300.406	4.190	70	20	DIID	
C[C@@H](C(=O)O[C@H](c1ccccn1)C(F)(F)F)c1cccs1	160092423	QFRIVWALVGWJKC-BXKDBHETSA-N	315.316	4.093	70	20	DIID	
Cc1ocnc1C(=O)N1CCCC[C@H]1c1ccc(C(C)C)cc1	160368770	GYECTTBFNOAZNX-KRWDZBQOSA-N	312.413	4.474	70	20	DIID	
CC(=O)NC1CCC(Nc2ccccc2Cc2ccccc2)CC1	161126270	MOSRSWCTOGXERZ-UHFFFAOYSA-N	322.452	4.137	70	20	DIID	
O=C(Cc1ccccc1F)Nc1scnc1-c1ccccc1	161435094	ISICCZBVFIVWLG-UHFFFAOYSA-N	312.369	4.130	70	20	DIID	
CCc1ccc(CC(=O)Nc2[nH]nc(-c3ccc(C)o3)c2C)cc1	161509881	IETKXEVOMALOLQ-UHFFFAOYSA-N	323.396	4.030	70	20	DIID	
Cc1cccc([C@@H](C)NC2CCN([C@@H](C)c3ccncc3)CC2)c1	159885005	KTDVPJSIBKLMJQ-MSOLQXFVSA-N	323.484	4.266	70	20	DIID	
C[C@@H]1CN(C(=O)Nc2cc(F)c(F)c(F)c2)[C@H]1c1ccccc1	160915018	CQECEPHYLJNVER-QLJPJBMISA-N	320.314	4.329	70	20	DIID	
Cc1nn(C)c(C)c1[C@@H](OC(=O)CCC(C)(C)C)C(F)(F)F	160285586	VZANDHJXSYFZCM-CYBMUJFWSA-N	320.355	4.010	70	20	DIID	
CCN(Cc1cccc(F)c1)C(=O)[C@H]1C[C@H]1c1sccc1C	160403937	OPIWOLHPUIZHPV-CVEARBPZSA-N	317.429	4.348	70	20	DIID	
Cc1ccc(C(C)(C)CN(C)C(=O)C[C@H](C)c2ccncc2)cc1	160871418	SMTIDOOKYVLUCE-KRWDZBQOSA-N	324.468	4.320	70	20	DIID	
Cc1cccc(NC(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)c1C	160932411	CXNJJRAUQZAUBU-MJGOQNOKSA-N	324.424	4.345	70	20	DIID	
Cc1ccc(CCNC(=O)Nc2ccc(F)c(Cl)c2)cc1	217307872	KJSHIVPAZSQWGP-UHFFFAOYSA-N	306.768	4.152	70	20	DIID	
CC(C)CC[C@@H](C)NC(=O)N[C@H]1CCSc2c(F)cccc21	218053221	KBQCBEYNDMHQAF-DOMZBBRYSA-N	324.465	4.487	70	20	DIID	
COc1ccc(OC)c([C@H](C)N[C@H]2CCc3c(C)cccc32)c1	159975005	LABQHNKMLXGQQQ-LIRRHRJNSA-N	311.425	4.350	70	20	DIID	
c1cc2c(s1)CCC[C@H]2NC1CCN(C2CCCC2)CC1	160492047	HBPARDKGAGYYCM-QGZVFWFLSA-N	304.503	4.122	70	20	DIID	
CC(C)[C@H](O)C(C)(C)CNC(=O)Nc1ccccc1C(C)(C)C	160867372	UXZVXCDKLNFKDP-INIZCTEOSA-N	320.477	4.149	70	20	DIID	
COc1ccc(NC(=O)N[C@H](C)c2cccc(F)c2F)c(C)c1	160992342	FAIQJNCPXOLYNQ-LLVKDONJSA-N	320.339	4.165	70	20	DIID	
CCOc1cccc(CN[C@@H](C)c2ccc(F)cc2N(C)C)c1	159407524	AJWJGDLYOJAWGL-AWEZNQCLSA-N	316.420	4.141	70	20	DIID	
COc1cccc(CCCN2CCC[C@@H]2c2cccc(C)n2)c1	160026569	OIJVGQWEPCQSFZ-HXUWFJFHSA-N	310.441	4.168	70	20	DIID	
CC[C@@H](C)N(C)C(=O)Nc1ccc(COC2CCCC2)cc1	160516354	OWIIYFYVQUKDJQ-CQSZACIVSA-N	304.434	4.408	70	20	DIID	
CC(=O)Nc1cccc([C@H](C)NC[C@@H]2CCc3ccccc32)c1	160955087	PFVNXPARGHDIHR-KSSFIOAISA-N	308.425	4.026	70	20	DIID	
CCCCC[C@@H](C)NC1CCC(NC(=O)OC(C)(C)C)CC1	218095450	DEJONNBUDYAJIW-QQFBHYJXSA-N	312.498	4.381	70	20	DIID	
CCC(C)(CC)C(=O)N1CCC(OCc2ccc(F)cc2)CC1	159415548	ZVNISFSJDZSPBQ-UHFFFAOYSA-N	321.436	4.160	70	20	DIID	
Cc1[nH]c2ccccc2c1CC(=O)N[C@@H]1CCCc2sccc21	160402213	LUIIALJKVUMFED-QGZVFWFLSA-N	324.449	4.274	70	20	DIID	
CC(C)C[C@@H](NCc1ccc(CN(C)C)cc1)c1ccccn1	160855343	OCDQVYXBGXSEKO-HXUWFJFHSA-N	311.473	4.020	70	20	DIID	
CCOc1ccc(NC(=O)C[C@@H](C)SC)c(C(F)(F)F)c1	161186874	XHNPROISLJYWGN-SECBINFHSA-N	321.364	4.184	70	20	DIID	
CCSCc1cccc(NC(=O)N(C)c2c(C)noc2C)c1	161260986	MKNBZRZHHMNYEC-UHFFFAOYSA-N	319.430	4.213	70	20	DIID	
Fc1ccc(OCc2cnn(-c3ccccc3)c2)c(Cl)c1	217480047	OMUXHIPHTCVEBF-UHFFFAOYSA-N	302.736	4.244	70	20	DIID	
C[C@@H](c1cccc(Cl)c1)N(C)C(=O)C[C@@H](C)c1ccncc1	159519210	RBWJWASMBJOZFK-KGLIPLIRSA-N	316.832	4.448	70	20	DIID	
CCc1ccsc1C(=O)N(C)c1ccc(OC)c(Cl)c1	159898639	SDFMRGYZNVCAND-UHFFFAOYSA-N	309.818	4.249	70	20	DIID	
COc1ccc(N(C)C(=O)c2ccc3c(c2)CCC3)cc1Cl	160058044	IRKSJAZZHGXLGZ-UHFFFAOYSA-N	315.800	4.114	70	20	DIID	
O=C(Nc1ccccc1Sc1ccccc1)[C@H]1CCCCO1	160348087	BCUGGERNMSMLTP-MRXNPFEDSA-N	313.422	4.345	70	20	DIID	
Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)C[C@@H](C)c2ccncc2)C1	160720306	UHHYKSDFENZFHP-ZIFCJYIRSA-N	322.452	4.288	70	20	DIID	
CCOc1ccc(CNC(=O)Nc2ccc(C)c(Cl)c2)cc1	217300715	WVVCFTCNVCWAKV-UHFFFAOYSA-N	318.804	4.369	70	20	DIID	
Cc1csc(CCCCN[C@@H]2CCc3cc(F)ccc32)n1	160640210	LYJKGGYSPHZRJH-MRXNPFEDSA-N	304.434	4.190	70	20	DIID	
CCOCc1cccc(NC(=O)[C@H](CC)c2ccc(F)cc2)c1	159649006	HZYBPSISNRWHMA-GOSISDBHSA-N	315.388	4.495	70	20	DIID	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCCCOC1CCCCC1	159871256	CSJONDORJBGOKI-CVEARBPZSA-N	321.486	4.016	70	20	DIID	
CCc1sc(C(=O)N[C@H](C)CC(=O)c2cccs2)cc1C	160872756	VXUINJGVOJEYMG-LLVKDONJSA-N	321.467	4.072	70	20	DIID	
Cc1cc(C)c(NC(=O)CN2CC[C@@H]3CCCC[C@@H]32)c(Cl)c1	159653860	HZLVBCROPLENNA-HOCLYGCPSA-N	320.864	4.160	70	20	DIID	
Cc1cccc([C@@H]2CCCN2C(=O)CNc2ccccc2)c1C	160721431	OLSXBIFPRPMNLH-IBGZPJMESA-N	308.425	4.079	70	20	DIID	
CC[C@@]1(C)C[C@H]1C(=O)Nc1ccc(NC(=O)CC(C)C)cc1	160858002	LIZHWGUBEOZOGT-YJBOKZPZSA-N	302.418	4.046	70	20	DIID	
C[C@@H]1CN(C(=O)Nc2c(F)cc(F)cc2F)[C@H]1c1ccccc1	161319417	NCWNTRKAJPTRMB-QLJPJBMISA-N	320.314	4.329	70	20	DIID	
COCc1ccc([C@H]2CCCN2C(=O)CC2CCCCCC2)o1	161375988	QASUELLEABVOGJ-QGZVFWFLSA-N	319.445	4.450	70	20	DIID	
O=C(Cc1cccc(F)c1)Nc1scnc1-c1ccccc1	161436375	HLJZZKMQJWAMPL-UHFFFAOYSA-N	312.369	4.130	70	20	DIID	
COc1ccc(NC(=O)c2ccccc2NCc2ccco2)cc1	160918369	MYXRELOJBHLZSM-UHFFFAOYSA-N	322.364	4.153	70	20	DIID	
Cc1ccc(NC(=O)CN[C@H](C)c2cc3ccccc3o2)cc1C	216685300	NSIXPHVLIXWLIF-OAHLLOKOSA-N	322.408	4.339	70	20	DIID	
CC1(C)C[C@@H](NC(Cc2ccccc2)Cc2ccccc2)CCO1	159986759	OPTCKEMFBPFEFL-FQEVSTJZSA-N	323.480	4.388	70	20	DIID	
CC(C)Oc1ccc(CN[C@@H]2CCCc3sccc32)cn1	160084004	WRZGZFCJLYYXPG-OAHLLOKOSA-N	302.443	4.098	70	20	DIID	
CC(C)c1ccc([C@@H]2CCCCN2C(=O)[C@H]2CCCO2)cc1	160422312	WJWYQIXLFQOISO-ZWKOTPCHSA-N	301.430	4.043	70	20	DIID	
CC(C)CC(C)(C)C(=O)NCCc1csc(C(C)(C)C)n1	160618431	DZRZYWMQBKESQX-UHFFFAOYSA-N	310.507	4.172	70	20	DIID	
Cc1cc2ncn(Cc3noc(C4CCCCC4)n3)c2cc1C	160625142	GBRZAIQBIOJYHM-UHFFFAOYSA-N	310.401	4.132	70	20	DIID	
CC(C)C[C@H](C)Oc1cc(CN[C@H](C)c2cncs2)ccn1	160812841	DTPVYPJYNVJYOW-UONOGXRCSA-N	319.474	4.202	70	20	DIID	
CCCCc1ccc(NC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)cc1	160975682	JKTANYCALIABGI-MSOLQXFVSA-N	316.445	4.108	70	20	DIID	
COc1ccc(Cl)cc1NC(=O)NCCC1CCCCC1	217305062	SCSKSPPIGYVYGJ-UHFFFAOYSA-N	310.825	4.441	70	20	DIID	
CCOc1ccc([C@H](C)N[C@H]2CCCSC2)cc1OCC	159649108	DMONLEIDGLYFKD-ZFWWWQNUSA-N	309.475	4.030	70	20	DIID	
Clc1ccc2c(N[C@@H]3CCO[C@H](C4CC4)C3)ccnc2c1	160309418	ZOPNZGGRQLQQKR-DYVFJYSZSA-N	302.805	4.258	70	20	DIID	
Cc1ccccc1[C@@H](NC(=O)C[C@@H](C)c1ccncc1)C(C)C	160562229	JKVUYYSXDOSECU-UZLBHIALSA-N	310.441	4.397	70	20	DIID	
CC[C@H](NC(=O)C[C@H](C)c1cccc(F)c1)c1c(C)noc1C	160610123	BQWWKFWQAMPNNS-ZBEGNZNMSA-N	318.392	4.192	70	20	DIID	
CC(C)c1ccc(CCCNC(=O)C[C@H](C)c2ccncc2)cc1	160641952	LOUSKCKUFYHLTC-KRWDZBQOSA-N	324.468	4.448	70	20	DIID	
C[C@@H](CC(=O)N1CC2(CCCC2)c2ccccc21)c1ccncc1	161320671	QWODSPHLDQCHJB-INIZCTEOSA-N	320.436	4.434	70	20	DIID	
CC[C@@H]1CCCC[C@@H]1N(C)C(=O)c1sc([C@@H](C)OC)nc1C	161325204	FQFDOZMZSKNUFG-MCIONIFRSA-N	324.490	4.200	70	20	DIID	
Cc1ccc(CCNC(=O)Nc2cccc(Cl)c2C)cc1	217307722	SBDDXHKCAOELSS-UHFFFAOYSA-N	302.805	4.321	70	20	DIID	
CCOC(=O)[C@H](c1ccccc1)N(C)Cc1ccc(Cl)s1	217895771	WSYLARRFKUKMBP-HNNXBMFYSA-N	323.845	4.138	70	20	DIID	
CCCCn1ncc(NC(=O)N2CCC[C@@H](CC(C)C)C2)c1C	159922575	BCZMVQCFJQHIAL-INIZCTEOSA-N	320.481	4.282	70	20	DIID	
C[C@@H](CCC(=O)N[C@@H]1CCc2c(O)cccc21)c1ccccc1	160042973	GDGHUADDXIPTRF-KBXCAEBGSA-N	309.409	4.080	70	20	DIID	
C[C@H](NCC1(Sc2ccccc2)CCCC1)c1cnccn1	160352541	QBLFKTWPBRXMDP-HNNXBMFYSA-N	313.470	4.232	70	20	DIID	
Cc1cc(NC(=O)CCCCCO[C@H]2CCC[C@H](C)C2)no1	160483517	SSAFQBIJYROAHG-ZFWWWQNUSA-N	308.422	4.077	70	20	DIID	
O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1ccc2ccccc2c1	160854200	UTIBAEBVJREZFM-LJQANCHMSA-N	323.436	4.452	70	20	DIID	
C[C@H]1CCC[C@@](CNCc2cc(F)cc(Cl)c2)(N(C)C)C1	160910767	QZRBTZPAQAWLPL-SUMWQHHRSA-N	312.860	4.079	70	20	DIID	
CS[C@@H](C)CC(=O)Nc1ccc(Oc2cccnc2)c(C)c1	161059836	JVSZBASXFBUXBM-ZDUSSCGKSA-N	316.426	4.262	70	20	DIID	
C[C@H](c1ccc(F)cc1F)N1CCO[C@@H](c2cccc(F)c2)C1	216683555	KSRYXBCJFWZIEU-KZULUSFZSA-N	321.342	4.238	70	20	DIID	
Cc1ccc(C)c(NC(=O)NCCCOc2ccccc2C)c1	217300455	YVBZGALECYWXTG-UHFFFAOYSA-N	312.413	4.202	70	20	DIID	
CC(C)(C)OC(=O)Nc1ccc(NCc2cncs2)cc1	159422770	XXRKVLDDOIBBJD-UHFFFAOYSA-N	305.403	4.102	70	20	DIID	
CCc1noc(C)c1CSCC(=O)Nc1cccc(C)c1C	160038835	WTJKVEPFOYQWQY-UHFFFAOYSA-N	318.442	4.034	70	20	DIID	
CC(C)OCc1ccc(NC(=O)N2CC[C@@H](C)[C@@H](C)C2)cc1	160198488	ASWAWJKSAHVXEU-CABCVRRESA-N	304.434	4.121	70	20	DIID	
Cc1ccc(-c2n[nH]c(NC(=O)[C@@H]3CCC[C@@H](C)C3)c2C)o1	161436173	BGHOODDFXFKPPP-ZWNOBZJWSA-N	301.390	4.051	70	20	DIID	
CC(C)[C@H](NC(=O)CCc1ccco1)c1ccccc1Cl	217205518	BETZGAGJOHUEHL-KRWDZBQOSA-N	305.805	4.379	70	20	DIID	
O=C(NCC1CCCCC1)N1CCC(Cc2ccccc2)CC1	217588345	AFCIBMDXDLEEFB-UHFFFAOYSA-N	314.473	4.231	70	20	DIID	
CSc1cc(C(=O)Nc2ccc3ncccc3c2)ccc1F	159506350	MHJBJHHVZMRWDE-UHFFFAOYSA-N	312.369	4.348	70	20	DIID	
CC1(C)C[C@H](NC(Cc2ccccc2)Cc2ccccc2)CCO1	159986622	OPTCKEMFBPFEFL-HXUWFJFHSA-N	323.480	4.388	70	20	DIID	
CC1(C)C[C@H](NC(=O)Nc2ccccc2C(C)(C)C)CCO1	160864809	HVPRSBKCVCELAS-CYBMUJFWSA-N	304.434	4.063	70	20	DIID	
CCc1ncnc(N[C@H](C)c2ccc(Br)cc2)c1F	217956667	NPZTYDRSUSBFGL-SECBINFHSA-N	324.197	4.114	70	20	DIID	
COCc1ccc([C@@H]2CCCN2C(=O)c2ccc(C)c(C)c2)o1	161284608	SXIYWGWDONQGJA-KRWDZBQOSA-N	313.397	4.020	70	20	DIID	
Cc1ccc(OCCCNC(=O)Nc2cccc(C)c2C)cc1	217297822	NQDPZSRXTYASFP-UHFFFAOYSA-N	312.413	4.202	70	20	DIID	
Cc1csc(NC(=O)N2CCC(C)(c3ccccc3)CC2)n1	159895199	MBQIKNZCPQBKFK-UHFFFAOYSA-N	315.442	4.037	70	20	DIID	
CCc1nc([C@H](C)NC(=O)[C@H](CC)c2ccc(F)cc2)cs1	159958637	AXCQDXFYNMXMTF-SMDDNHRTSA-N	320.433	4.216	70	20	DIID	
COc1cccc(NC(=O)c2ccccc2NCc2ccco2)c1	160700247	PTOKQYCCVHUYNZ-UHFFFAOYSA-N	322.364	4.153	70	20	DIID	
O=C(Nc1ccccc1OCC1CC1)N(CC1CC1)CC1CC1	160883232	SCXSCGQQLQMNSI-UHFFFAOYSA-N	314.429	4.129	70	20	DIID	
C[C@H](c1ccco1)N(Cc1noc(-c2ccsc2)n1)C1CC1	161122201	WFALCMDUEOZVMX-LLVKDONJSA-N	315.398	4.117	70	20	DIID	
CC(C)(C)c1ccc(NC(=O)NCCc2ccc(O)cc2)cc1	217301197	UIXHSXBPVBXBRV-UHFFFAOYSA-N	312.413	4.054	70	20	DIID	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@@H](C)c1ccc(F)c(F)c1	159558088	ZCJAHPVDZTVYBW-UHTWSYAYSA-N	321.392	4.316	70	20	DIID	
Cc1ccccc1[C@@H](C)CC(=O)N[C@@H]1CCOC2(CCCC2)C1	160013769	HSIZWJWCVVOCBM-DLBZAZTESA-N	315.457	4.097	70	20	DIID	
CCCCn1ncc(NC(=O)N(C)CCC2CCCCC2)c1C	160055477	NRXUTCPMCZOXMG-UHFFFAOYSA-N	320.481	4.426	70	20	DIID	
C[C@@H]1CC(=O)CC[C@H]1C(=O)N[C@@H](CC1CCCCC1)C(C)(C)C	160101734	FTWDIITUSIEVFI-OLMNPRSZSA-N	321.505	4.493	70	20	DIID	
Cc1cccc([C@H]2CCCN2Cc2csc(C(C)C)n2)n1	160438328	VBEMMJDEXDEVRE-MRXNPFEDSA-N	301.459	4.307	70	20	DIID	
C[C@H](N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1cccs1	161127895	PPKOBQUWHUSRNY-KPZWWZAWSA-N	315.438	4.321	70	20	DIID	
Cc1cccc([C@@H](C)C(=O)Nc2[nH]nc(-c3ccc(C)o3)c2C)c1	161416116	FMDNFIDQPVIKIY-CYBMUJFWSA-N	323.396	4.337	70	20	DIID	
CC(C)Oc1ccc(CN[C@H]2c3cc(F)ccc3C[C@H]2C)cn1	160110111	KQAUUQIIONPOAL-BFUOFWGJSA-N	314.404	4.031	70	20	DIID	
CCN(CC1CC1)C(=O)Nc1ccc(COC2CCCC2)cc1	160510801	UQPWUWNJEJNPPD-UHFFFAOYSA-N	316.445	4.410	70	20	DIID	
CC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1c(C)noc1C	160729536	QIOZMRROPOXLSO-HZMVEIRTSA-N	318.461	4.465	70	20	DIID	
C[C@@H](NCc1ccc(CN(C)C)cc1)c1cc2c(s1)CCC2	160875049	GRJNSANFXHOBIM-CQSZACIVSA-N	314.498	4.149	70	20	DIID	
Cc1ccc(N[C@@H](C)C(=O)Nc2cc(Cl)ccc2F)cc1F	218734599	IOQPJXNIOOAZBC-JTQLQIEISA-N	324.758	4.366	70	20	DIID	
CCc1cccc(N[C@H](C)C(=O)Nc2cc(Cl)ccc2F)c1	218738380	BEDAZJAXZIZPCC-LLVKDONJSA-N	320.795	4.481	70	20	DIID	
COc1ccccc1NC(=O)c1c(C)[nH]c2ccc(Cl)cc12	159591717	MWEVGEUNGKBWOD-UHFFFAOYSA-N	314.772	4.391	70	20	DIID	
O=C(C[C@@H](c1ccccc1)C(F)(F)F)NCC1(C2CC2)CC1	159727500	WGNMDZSDMLTYOJ-AWEZNQCLSA-N	311.347	4.029	70	20	DIID	
C[C@H](N[C@@H]1CCOC(C)(C)C1)c1ccc(OC(F)(F)F)cc1	159931071	QFHBGOWAINXKDV-WCQYABFASA-N	317.351	4.193	70	20	DIID	
CC[C@@H](NC(=O)c1cc2ccccc2s1)c1c(C)noc1C	159947505	KTRCMRIUEBRRSR-CYBMUJFWSA-N	314.410	4.387	70	20	DIID	
Cc1ccc(CN(C)Cc2ncc(-c3ccccc3F)o2)s1	160433777	KMSAKMXXQFLORV-UHFFFAOYSA-N	316.401	4.483	70	20	DIID	
CCc1ncsc1NC(=O)[C@H](OC(C)(C)C)c1ccccc1	161028395	BGDIIZCXKVAFBD-CQSZACIVSA-N	318.442	4.200	70	20	DIID	
CC(=O)c1ccc(C)cc1OCc1ccccc1OC(F)F	217927362	QMFXRWMKRJDWAI-UHFFFAOYSA-N	306.308	4.378	70	20	DIID	
O=C(COc1ccc(-c2ccccc2)cc1)N1[C@H]2C=CC[C@H]1CC2	218726707	BGSZNAQICSONGN-OALUTQOASA-N	319.404	4.052	70	20	DIID	
Cc1ccccc1[C@@H](C)Nc1cc(F)cc(N2CCOCC2)c1	159366347	SUMTUJYJOTUEAH-OAHLLOKOSA-N	314.404	4.144	70	20	DIID	
CN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CCSC1	159444260	HPYUWHTYAKCKAW-HNNXBMFYSA-N	312.438	4.323	70	20	DIID	
Cc1ccc(-c2nc(C)c([C@@H](C)NCCC(C)(C)O)s2)cc1	159841127	KQNMQFVNHUOFQS-CYBMUJFWSA-N	318.486	4.239	70	20	DIID	
CC(C)COc1cccc(NC(=O)C[C@H](C)c2ccncc2)c1	160138812	VGHZSYCBDXQHDB-HNNXBMFYSA-N	312.413	4.249	70	20	DIID	
C[C@H](CC(=O)N1CCC[C@](C)(c2ccccc2)C1)c1ccncc1	160380622	PHGLKYYDBLIJPG-UTKZUKDTSA-N	322.452	4.156	70	20	DIID	
Cc1ccc([C@H](C)NCc2ccc(N3CCCCCC3)nc2)o1	160553969	CJPLQPFHNXXNAI-INIZCTEOSA-N	313.445	4.214	70	20	DIID	
CC[C@@H](N[C@@H](CCCO)c1ccccc1)c1ccccc1OC	160873566	HRAOCSVYAKZBEL-MOPGFXCFSA-N	313.441	4.250	70	20	DIID	
COc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)cc1N	161236843	ICKGJWFQDWWSOE-UHFFFAOYSA-N	324.424	4.036	70	20	DIID	
CC[C@H](NC(=O)Nc1ccccc1C(C)(C)C)[C@@H]1CCCO1	159425371	ZREMZUSAWGGAAR-HOCLYGCPSA-N	304.434	4.063	70	20	DIID	
COc1ccc(N(C)C(=O)c2ccc(Cl)s2)cc1Cl	160106207	IEIATQVRWNJCSP-UHFFFAOYSA-N	316.209	4.340	70	20	DIID	
CCN(C(=O)C[C@H](C)c1ccncc1)[C@H](C)c1ccc(F)cc1	160115546	CNBQVUOGNKWITG-LSDHHAIUSA-N	314.404	4.324	70	20	DIID	
C[C@H](NCC1(Sc2ccccc2)CCCC1)c1cnn(C)c1	160353117	PEZAZEMWGFVSDP-HNNXBMFYSA-N	315.486	4.176	70	20	DIID	
C[C@@H](NCC1(Sc2ccccc2)CC1)c1cncc(F)c1	160498933	SKGFELONRUFXBR-CYBMUJFWSA-N	302.418	4.196	70	20	DIID	
C[C@@H](Cc1ccccc1Cl)C(=O)N[C@@H](C)c1cccc(O)c1	160710581	KIDYOIAXOILYLU-STQMWFEESA-N	317.816	4.102	70	20	DIID	
Cc1cccc([C@H](NC(=O)c2cc(C)oc2C)c2ccccn2)c1	159810416	FTNMUCQQPOKPNZ-IBGZPJMESA-N	320.392	4.119	70	20	DIID	
CC[C@H](NC(=O)c1sccc1C(C)C)c1c(C)noc1C	160348783	VWPFGWHLKGOINZ-ZDUSSCGKSA-N	306.431	4.357	70	20	DIID	
Cc1cccc([C@@H]2CCCN2Cc2nc3ccc(F)cc3o2)n1	160368165	DJRPXHSPPDPSIJ-INIZCTEOSA-N	311.360	4.007	70	20	DIID	
CC[C@H](NCc1cccc(NC(C)=O)c1)c1ccc(F)cc1F	160756395	PETVKILTFPKJNZ-SFHVURJKSA-N	318.367	4.164	70	20	DIID	
CC(C)C[C@H]1CCCCCN1C(=O)C[C@H](C)c1ccncc1	160768564	XVOHJVFEJUBJLJ-FUHWJXTLSA-N	302.462	4.393	70	20	DIID	
Cc1ccc([C@@H](C)N(C)C(=O)c2nc3ccccc3s2)cc1	161493160	GBDRARYVJHSELG-CYBMUJFWSA-N	310.422	4.438	70	20	DIID	
Cc1cc(Cl)ccc1NC(=O)NCCCOc1ccccc1	217299723	LKSGURZLFWLLFW-UHFFFAOYSA-N	318.804	4.239	70	20	DIID	
Cc1nc2cc(NC(=O)[C@@H](C)OC3CCCCCC3)ccc2o1	159980681	MJKRJYXBNZPRLS-GFCCVEGCSA-N	316.401	4.203	70	20	DIID	
Cc1cc(C)c(C(=O)Nc2nc(-c3cccc(F)c3)cs2)[nH]1	160977193	CICRNFOVDNYNEC-UHFFFAOYSA-N	315.373	4.146	70	20	DIID	
Cc1cccc(Cl)c1NS(=O)(=O)c1cccc(Cl)c1	161056643	RCTHFNAGFWYURU-UHFFFAOYSA-N	316.209	4.103	70	20	DIID	
C[C@H](NC(=O)NCCc1ccccc1)c1ccc2c(c1)CCCC2	217304773	SSZGAEKNRLRKOS-INIZCTEOSA-N	322.452	4.168	70	20	DIID	
Fc1cc(Cl)cc(NCc2cn3cc(Cl)ccc3n2)c1	217531980	SHQXZHDOACPNJP-UHFFFAOYSA-N	310.159	4.392	70	20	DIID	
C[C@H](N[C@H]1CCOC(C)(C)C1)c1ccc(OC(F)(F)F)cc1	159931327	QFHBGOWAINXKDV-AAEUAGOBSA-N	317.351	4.193	70	20	DIID	
CC(C)C[C@H](NCc1ccc(OC(C)C)nc1)c1ccccn1	160039170	IKBMUGODJGZNBI-SFHVURJKSA-N	313.445	4.141	70	20	DIID	
Cc1cc([C@@H](C)NCc2ccc(OC(C)C)nc2)c(C)s1	160042206	GXTACIRWLCTCDE-CYBMUJFWSA-N	304.459	4.398	70	20	DIID	
CCC(CC)n1nccc1C(=O)N(C)Cc1ccccc1Cl	160534004	VICIWLZDJNSCJP-UHFFFAOYSA-N	319.836	4.170	70	20	DIID	
CN(Cc1cccn1C)C(=O)C(C)(C)CCCc1ccccc1	160905160	MEKPPOUADOGRSD-UHFFFAOYSA-N	312.457	4.033	70	20	DIID	
Cc1ccc(-c2n[nH]c(NC(=O)C3CCCCCC3)c2C)o1	161359133	PNYZFHPRWIEULW-UHFFFAOYSA-N	301.390	4.195	70	20	DIID	
CC[C@@H]1CCCN(C(=O)c2cccc(-c3nc(C)cs3)c2)C1	159718337	LAMDFVUZHOIULF-CQSZACIVSA-N	314.454	4.381	70	20	DIID	
CCCC(=O)Nc1cccc(CN[C@H]2c3ccccc3C[C@H]2C)c1	159892285	HLINMNBJLOSXEI-QVKFZJNVSA-N	322.452	4.448	70	20	DIID	
CCC[C@@H](C)[C@@H]1CCCN1CC1CCN(C(=O)C(C)(C)C)CC1	160301365	NAAQZDLESMGOPE-AEFFLSMTSA-N	322.537	4.172	70	20	DIID	
C[C@H](CC(=O)N[C@H](c1ccccc1)C1CCC1)c1ccncc1	160444947	ISPSBKRCXSKXIW-FOIQADDNSA-N	308.425	4.233	70	20	DIID	
Cc1ccccc1NC(=O)NCCCOc1c(C)cccc1C	217298062	XAAZOHXPPZUZBR-UHFFFAOYSA-N	312.413	4.202	70	20	DIID	
Cc1cc(C(=O)N(c2ccccn2)C2CCCC2)cc(C)c1F	161259395	CQXDLLZKOXPUQX-UHFFFAOYSA-N	312.388	4.427	70	20	DIID	
COc1cccc(C(=O)N2C[C@@H](C)CSc3ccccc32)c1	159483392	MBCDDDQVNZQZFR-CYBMUJFWSA-N	313.422	4.084	70	20	DIID	
CCCCn1ncc(NC(=O)N2CCC[C@H]2[C@H](C)CCC)c1C	159633627	YEMAVXCXEXUKHJ-PBHICJAKSA-N	320.481	4.424	70	20	DIID	
C[C@@H](Nc1ccccc1O[C@@H]1CCOC1)c1c(F)cccc1F	159908618	DQCWAHNLKSREAY-CHWSQXEVSA-N	319.351	4.306	70	20	DIID	
Cc1cccc2nc(CN[C@@H](C)c3ccc(F)cc3Cl)cn12	160302735	PXSLBHGCBPSNQN-LBPRGKRZSA-N	317.795	4.286	70	20	DIID	
CC(C)[C@@H](NC(=O)N(C)C1CC1)c1ccc(C(F)(F)F)cc1	160408880	MJXZCGZPXRWJQA-CQSZACIVSA-N	314.351	4.206	70	20	DIID	
Cc1cc(C)cc(NC(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)c1	161010952	IZFAMFPCADBJSG-IEBWSBKVSA-N	324.424	4.345	70	20	DIID	
C[C@H]1C[C@@H](CC(=O)NC(C)(C)c2nccs2)CC(C)(C)C1	217221625	KCZQLTOWCYROAY-STQMWFEESA-N	308.491	4.347	70	20	DIID	
COc1ccccc1[C@@H](C)CC(=O)OCc1nc(C)sc1C	161136826	YGGGYSVSYIDXSD-NSHDSACASA-N	319.426	4.006	70	20	DIID	
Cc1nc(-c2cccnc2)sc1[C@@H](C)N[C@@H]1CCCSC1	159600254	TWEHDXRMZUMEHQ-BXUZGUMPSA-N	319.499	4.060	70	20	DIID	
CCCCn1ncc(NC(=O)N2CCCC[C@H]2CC(C)C)c1C	159767594	NPVKBUQQZOYMFJ-INIZCTEOSA-N	320.481	4.424	70	20	DIID	
Brc1ccc(CN[C@H]2CC=CCC2)c2ncccc12	160332196	BRHQGUPILZNMCX-ZDUSSCGKSA-N	317.230	4.196	70	20	DIID	
CCN(Cc1cccc(F)c1)C(=O)[C@@H]1C[C@@H]1c1sccc1C	160403551	OPIWOLHPUIZHPV-JKSUJKDBSA-N	317.429	4.348	70	20	DIID	
CC[C@@H](NCc1ccc(CN(C)C)cc1)c1ccc(F)cc1F	160668376	MBDXQFVEJKPHFT-LJQANCHMSA-N	318.411	4.267	70	20	DIID	
CC[C@H](CNC(=O)[C@H]1CSc2ccccc21)c1ccccc1	217232965	AHAGBXDLEGXCGM-PBHICJAKSA-N	311.450	4.186	70	20	DIID	
Cc1cc(Cl)ccc1NC(=O)NCCc1cccc(F)c1	217441369	NWLPYTSHGMBSSV-UHFFFAOYSA-N	306.768	4.152	70	20	DIID	
CCc1ccccc1NC(=O)CCc1ccc(Cl)c(OC)c1	159736716	JWTATFLELOAJFS-UHFFFAOYSA-N	317.816	4.482	70	20	DIID	
CCC(CC)n1nccc1C(=O)N1CCC[C@H]1c1cccs1	160959752	BVARMJIMISCYDW-AWEZNQCLSA-N	317.458	4.283	70	20	DIID	
CCCCn1ncc(C(=O)N(C)[C@@H](C)c2ccc(C)cc2)c1C	161116956	QJYVEQCMKKMQAN-HNNXBMFYSA-N	313.445	4.133	70	20	DIID	
CO[C@@H](CNC(=O)Nc1ccc(C)cc1)c1ccccc1Cl	218353972	COQJSLZDLIWOJI-INIZCTEOSA-N	318.804	4.158	70	20	DIID	
CCCC(=O)Nc1cccc(CN[C@H](C)c2ccc(C)o2)c1	159937118	HKTNNGUQYMYUHI-CQSZACIVSA-N	300.402	4.177	70	20	DIID	
CCOCCC1(C(=O)N[C@H](C)c2cc3ccccc3o2)CCC1	160674150	CLPNJKUJRPRQSG-CQSZACIVSA-N	315.413	4.207	70	20	DIID	
CS[C@H]1CCC[C@H](NC(=O)CC(C)(C)c2ccccc2)C1	217228569	YOKWATWZIHNCBP-HOTGVXAUSA-N	305.487	4.145	70	20	DIID	
CC[C@H](N[C@@H](C)C(=O)N1CCCCCC1)c1ccc(Cl)cc1	218038135	VSAYXYKJQZNJGK-YOEHRIQHSA-N	322.880	4.172	70	20	DIID	
CCc1ccc(CNCc2cc(Cl)c3c(c2)OCCO3)s1	218216083	WWUOYIWOONATOQ-UHFFFAOYSA-N	323.845	4.025	70	20	DIID	
COc1ccccc1-c1nnc(CN(c2ccccc2)C(C)C)o1	159523708	PESGPPLUEOPULX-UHFFFAOYSA-N	323.396	4.160	70	20	DIID	
Cc1ccc(C)c(CC(=O)O[C@@H](c2ccccn2)C(F)(F)F)c1	160477897	ONIXOTUMACWQFL-INIZCTEOSA-N	323.314	4.088	70	20	DIID	
COc1ccc([C@@H](C)N(C)C(=O)c2cc(F)c(C)cc2F)cc1	160873124	LKYHVZTVUYPGIF-GFCCVEGCSA-N	319.351	4.115	70	20	DIID	
CC(C)[C@@H](N[C@H](C)c1ccco1)c1ccc2c(c1)OCCO2	161036179	UYHKYLPRWTXGTI-FZKQIMNGSA-N	301.386	4.099	70	20	DIID	
CCCC1(CNC(=O)Nc2ccccc2CC(F)(F)F)CC1	161438085	NOCVDAOMJWYBAI-UHFFFAOYSA-N	314.351	4.493	70	20	DIID	
Cc1cccc(CCCOC(=O)c2ccc3[nH]c(C)c(C)c3c2)n1	218548478	XTYPQGAZZNRWFN-UHFFFAOYSA-N	322.408	4.278	70	20	DIID	
Cc1cccc(C(=O)NCCCO[C@@H](C)c2ccccc2)c1F	159700083	QCKUSBDEOPHQLL-HNNXBMFYSA-N	315.388	4.032	70	20	DIID	
Cc1cccc([C@H](NC(=O)CCC(C)(C)C)c2ccccn2)c1	159829049	COGVLLJRFKQAIN-IBGZPJMESA-N	310.441	4.422	70	20	DIID	
CC(C)[C@@H](NC(=O)N(C)C(C)C)c1ccc(C(F)(F)F)cc1	160427209	UBZDTVJXITXLLN-CQSZACIVSA-N	316.367	4.452	70	20	DIID	
CCC(CC)(CC)NC(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1	160890530	WYPLMACHRVGOIJ-IAGOWNOFSA-N	318.461	4.175	70	20	DIID	
COCc1ccc([C@H]2CCCN2C(=O)c2ccc(C)c(C)c2)o1	161284480	SXIYWGWDONQGJA-QGZVFWFLSA-N	313.397	4.020	70	20	DIID	
CCC[C@H](NCC1(C)COC1)c1ccc(Cl)cc1Cl	159505153	JVNLPXPEDSMUQK-AWEZNQCLSA-N	302.245	4.461	70	20	DIID	
CCc1cccc(C)c1NC(=O)CCc1ccc(F)cc1F	160069184	YCNIOKSVUTWLMA-UHFFFAOYSA-N	303.352	4.407	70	20	DIID	
CS[C@H](C)CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1	160220374	NWLYMRKYQPRCHL-SECBINFHSA-N	306.258	4.093	70	20	DIID	
CC(C)OCc1cccc(NC(=O)C[C@H](C)c2ccncc2)c1	160238612	CTDWRAUSMBXZLS-HNNXBMFYSA-N	312.413	4.139	70	20	DIID	
Clc1ccc2nccc(N[C@@H]3CCO[C@H](C4CC4)C3)c2c1	160467685	RLKIRRAGBLRUAI-DYVFJYSZSA-N	302.805	4.258	70	20	DIID	
Cc1cccc(-c2cncc(C(=O)Nc3nc(C)cs3)c2)c1	161112652	BSNMHBOCHRLLNW-UHFFFAOYSA-N	309.394	4.074	70	20	DIID	
CC[C@@H](NC(=O)[C@H](CC)c1ccccc1)c1c(C)noc1C	160011916	GRDDYYLKXRHKSQ-HZPDHXFCSA-N	300.402	4.053	70	20	DIID	
Cc1cscc1NC(=O)Nc1cccc(NC(=O)C2CC2)c1	160129345	PPXVZZKZBMASQC-UHFFFAOYSA-N	315.398	4.049	70	20	DIID	
Cc1nc(-c2ccccc2NC(=O)c2cccs2)cs1	218577733	PQTPWMGIJNIEGX-UHFFFAOYSA-N	300.408	4.432	70	20	DIID	
Cc1ccccc1CCC(=O)Nc1cc(F)ccc1OC(F)F	159418001	WBVAQDSMVQDUJY-UHFFFAOYSA-N	323.314	4.307	70	20	DIID	
COCCCCNC(=O)N1CCC[C@H]1c1ccc(C(C)C)cc1	159825288	VGBMFSAVAPRGGN-SFHVURJKSA-N	318.461	4.083	70	20	DIID	
CC1(C)CCC(C(=O)N2CCC(OCC3CCCC3)CC2)CC1	161069710	AILIYKPCFGNCKX-UHFFFAOYSA-N	321.505	4.401	70	20	DIID	
CCc1nc2c(s1)[C@@H](N(C)C(=O)c1cc(C)c(C)o1)CCC2	161280784	IQYAKDPJSUBNJH-ZDUSSCGKSA-N	318.442	4.065	70	20	DIID	
Cc1ccc(CN[C@@H](C)c2ccc(OCC(F)(F)F)cc2)cn1	161307612	ILNQYSZTSCUJAW-ZDUSSCGKSA-N	324.346	4.182	70	20	DIID	
C[C@@H]1CC[C@@H](C)N1C(=O)CCc1ccc(Cl)cc1Cl	161453009	AEYRQYVHNINCQC-GHMZBOCLSA-N	300.229	4.325	70	20	DIID	
Cc1nc(-c2ccccc2NC(=O)/C=C/c2ccco2)cs1	218588279	QMEZHNRACYIXLS-CMDGGOBGSA-N	310.378	4.363	70	20	DIID	
CCc1noc(C)c1CNc1ccc(OC(F)(F)F)cc1	159366967	UHLKGRVPPWOVBS-UHFFFAOYSA-N	300.280	4.056	70	20	DIID	
C[C@H](NCCC1CCN(CC(F)(F)F)CC1)c1ccccc1	159971545	JRPPZKQOAAQRCD-AWEZNQCLSA-N	314.395	4.002	70	20	DIID	
Cc1csc(CCCCN[C@H](C)c2ccc(F)cc2F)n1	160657383	SDBGGLOJRGIHQU-GFCCVEGCSA-N	310.413	4.403	70	20	DIID	
C[C@@H](NC[C@@H](Cc1ccccc1)c1ccccc1)C1CCOCC1	161258290	HYHFCNGYHAZKBB-XMSQKQJNSA-N	323.480	4.418	70	20	DIID	
Cn1ccc2c(C(=O)N3CCc4c(Cl)cccc43)cccc21	161474764	ZSJAUWQLHGQKMU-UHFFFAOYSA-N	310.784	4.035	70	20	DIID	
CC(C)(C)c1ccc(C(=O)N[C@@H]2CCOC3(CCCC3)C2)cc1	159720333	BPKATCCMWHNRRL-QGZVFWFLSA-N	315.457	4.206	70	20	DIID	
CC1CCN(c2cccc(NC(=O)N(C)[C@@H](C)C3CC3)c2)CC1	159725982	HDDFURCKXBECNK-HNNXBMFYSA-N	315.461	4.185	70	20	DIID	
CN(C(=O)c1ccc(C(C)(C)C)s1)c1ccc2c(c1)OCO2	160138875	CBJKOLJZPUIRRP-UHFFFAOYSA-N	317.410	4.051	70	20	DIID	
C[C@]1(NC(=O)Nc2ccccc2SC2CCCC2)CCOC1	160656596	LMFKOYFQMDUTIM-KRWDZBQOSA-N	320.458	4.022	70	20	DIID	
CCc1noc(C)c1CNc1cccc(OC(F)(F)F)c1	159367251	OFMHTUBFXNXLJY-UHFFFAOYSA-N	300.280	4.056	70	20	DIID	
C[C@@H](CC(=O)NCc1cccc2ccccc12)c1ccncc1	159504556	ZROSXWAQYBUGBY-HNNXBMFYSA-N	304.393	4.045	70	20	DIID	
CCCCn1ncc(NC(=O)N2[C@H]3CCCC[C@H]3C[C@H]2C)c1C	159646057	LLEWITUAJQQDOA-KMFMINBZSA-N	318.465	4.177	70	20	DIID	
O=C(Nc1ccc2[nH]ccc2c1)[C@@H]1C[C@@H]1c1cccc(F)c1F	159707919	UFZHQLKXPAKNKV-ZIAGYGMSSA-N	312.319	4.188	70	20	DIID	
O=C(N[C@@H]1CCCc2sccc21)[C@@H]1CSc2ccccc21	160003262	HJQZTLPGGPFTCI-ZIAGYGMSSA-N	315.463	4.131	70	20	DIID	
C[C@H](CCNc1nnc(C(F)(F)F)s1)c1ccccc1	160169025	UULHUMBMNOULOE-SECBINFHSA-N	301.337	4.163	70	20	DIID	
CCCCn1ncc(NC(=O)N(C)[C@H]2CCCC[C@@H]2CC)c1C	160275741	VKVUBONXYWMZEQ-RDJZCZTQSA-N	320.481	4.424	70	20	DIID	
Brc1ccc(CNCC2CCCC2)c2ncccc12	160310332	YGEPIQLYPXHRMX-UHFFFAOYSA-N	319.246	4.277	70	20	DIID	
CCC(CC)[C@@H](NC1CCC(NC(C)=O)CC1)c1cccs1	161451058	WDDNFVPGPUVSRF-LEOMRAHMSA-N	322.518	4.262	70	20	DIID	
CCCCOC(=O)CCN(C)[C@@H](C)c1nc2ccccc2s1	218256334	VCJMMKNGFGHELX-ZDUSSCGKSA-N	320.458	4.023	70	20	DIID	
COc1ccc(N(C)C(=O)c2ccc(C(C)C)cc2)cc1F	159603374	KHWIZVBIMKSTLX-UHFFFAOYSA-N	301.361	4.234	70	20	DIID	
Cc1cccc([C@H](NC(=O)c2ccc(C)s2)c2ccccn2)c1	159999505	KVRIBWVWZZEKTG-SFHVURJKSA-N	322.433	4.279	70	20	DIID	
CCOc1ccc([C@@H](C)N[C@@H]2CCCSC2)cc1OCC	159648710	DMONLEIDGLYFKD-UKRRQHHQSA-N	309.475	4.030	70	20	DIID	
Cc1csc([C@@H](Nc2nc(C(C)(C)C)ns2)C2CC2)n1	159655559	XJQWUYZUYIMQGL-JTQLQIEISA-N	308.476	4.164	70	20	DIID	
CCCCn1ncc(NC(=O)N(CC)Cc2ccccc2)c1C	159752963	SKWONTMQLYTBSQ-UHFFFAOYSA-N	314.433	4.046	70	20	DIID	
CC(=O)Nc1cccc([C@@H](C)NCc2coc3ccccc23)c1	159800390	RJWAGEOWCWSQGW-CYBMUJFWSA-N	308.381	4.242	70	20	DIID	
Cc1nc(NC(=O)[C@@H](C)c2cc3ccccc3o2)cc(C2CC2)n1	160091962	OITPVMVOGUWSTB-NSHDSACASA-N	321.380	4.151	70	20	DIID	
C[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](C)c1cccc(O)c1	160259029	MZYRTYQTROBPJJ-CHWSQXEVSA-N	317.816	4.102	70	20	DIID	
Cc1cccc(C)c1CN[C@@H](C)c1nc(Cc2ccccc2)no1	160325863	GGFZOPLHFWBNTM-INIZCTEOSA-N	321.424	4.128	70	20	DIID	
CC(C)C[C@@H]1CCCCN1CC1CCN(C(=O)C(C)(C)C)CC1	160695077	TZGVAELCHAXVFE-SFHVURJKSA-N	322.537	4.172	70	20	DIID	
C[C@H](OC(=O)c1cc2c(s1)CCOC2)c1ccc(Cl)cc1	216817883	DLDWVLJUUMZTFY-JTQLQIEISA-N	322.813	4.392	70	20	DIID	
O=C(NCCc1cccc(F)c1)Nc1ccc2ccccc2c1	217443194	UCHCWLVWBZBPOD-UHFFFAOYSA-N	308.356	4.343	70	20	DIID	
Clc1cccnc1SCc1noc(C2CCCCC2)n1	159537245	XGBBZPJZJKKAAP-UHFFFAOYSA-N	309.822	4.458	70	20	DIID	
O=C(NCC1(C2CC2)CC1)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1	159681559	VERLUUZXXZLVMR-CABCVRRESA-N	323.358	4.115	70	20	DIID	
CC(C)N(CC(F)F)C(=O)[C@H](C)Cc1ccccc1Cl	160510639	ZNXYPBRABBSEEA-LLVKDONJSA-N	303.780	4.021	70	20	DIID	
CCc1ccc([C@H](NC(=O)[C@@H]2CCC(=O)C[C@@H]2C)C(C)C)cc1	160988787	VRHPRSGWUCQXEK-GDIGMMSISA-N	315.457	4.068	70	20	DIID	
Cc1nc(C2(NCc3ccc4ccccc4c3)CCCC2)no1	161372748	NVVSWRAHXXVJFC-UHFFFAOYSA-N	307.397	4.090	70	20	DIID	
COc1ccccc1NC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2	217268054	YOPCMQGXMWFQEV-ACJLOTCBSA-N	302.418	4.128	70	20	DIID	
Cc1ccc(C)c(NC(=O)NCCc2cccc(Cl)c2)c1	217465004	RKLKGMATCLCUMQ-UHFFFAOYSA-N	302.805	4.321	70	20	DIID	
CCOc1cccc(CNc2cc(Cl)nc(C3CC3)n2)c1	217976443	ZXOSLDAIVKWSRF-UHFFFAOYSA-N	303.793	4.018	70	20	DIID	
Cc1cnccc1NC(=O)[C@H](C)Cc1cccc(C(F)(F)F)c1	159391746	YRCIZEXXKQSCTJ-LLVKDONJSA-N	322.330	4.226	70	20	DIID	
CC(C)n1cccc1C(=O)N1CCC(Cc2ccccc2)CC1	161322739	AXYRVBROIFYTED-UHFFFAOYSA-N	310.441	4.164	70	20	DIID	
CC(=O)Nc1cccc(NC(=O)Nc2c(F)cccc2Cl)c1	217313214	QQPJBAXIRSKSEM-UHFFFAOYSA-N	321.739	4.082	70	20	DIID	
CC(C)=CCOC(=O)Cc1csc(-c2ccc(C)cc2)n1	217512645	PTJPILZBPUQIKK-UHFFFAOYSA-N	301.411	4.170	70	20	DIID	
Cc1nccc(NC(=O)N2CCC[C@H]2c2cccs2)c1Cl	159689822	NUPLYRUZBXZSBH-LBPRGKRZSA-N	321.833	4.474	70	20	DIID	
C[C@@H](O)C[C@H](CNC(=O)CCCC1CCCC1)c1ccccc1	159745400	OVWMUJQOQZCJAY-VQIMIIECSA-N	317.473	4.018	70	20	DIID	
COc1ccc(OC)c([C@H](C)NCc2coc3ccccc23)c1	159809314	JKSPNXCYYYHMAC-ZDUSSCGKSA-N	311.381	4.301	70	20	DIID	
CC[C@H](NCCc1ccc(NC(C)=O)cc1)c1ccc(F)cc1	160885481	ZWFPAWRFNLXCAB-IBGZPJMESA-N	314.404	4.068	70	20	DIID	
COc1ccc(CN(Cc2csc(C3CC3)n2)C2CC2)cc1	161312292	IEYXBNMSNRWUSQ-UHFFFAOYSA-N	314.454	4.194	70	20	DIID	
CC[C@H](C(=O)N[C@@H]1CCCc2occc21)c1ccc(F)cc1	159932870	BFLQGTAIFGJRNR-GOEBONIOSA-N	301.361	4.106	70	20	DIID	
CC(C)(CCC(=O)N[C@@H]1[C@H]2Cc3ccccc3[C@@H]21)c1ccccc1	159984079	GNSXTCDLGMTRQT-SESVDKBCSA-N	319.448	4.199	70	20	DIID	
CCSc1cc(Cl)ccc1C(=O)Nc1ccnc(C)c1	161458595	ANAQFEZKNIQQHA-UHFFFAOYSA-N	306.818	4.408	70	20	DIID	
CCN(Cc1ncc(-c2ccccc2Br)o1)C(C)C	159980860	OWRFJJSBFBAYRK-UHFFFAOYSA-N	323.234	4.334	70	20	DIID	
COc1ccc(OC)c([C@H](C)N[C@H]2CCc3ccc(C)cc32)c1	159997786	LOGIJLICTOJHJN-LIRRHRJNSA-N	311.425	4.350	70	20	DIID	
C[C@H](CC(=O)N1CCC[C@@H]1c1ccsc1)c1ccncc1	160049216	AULRUMNYBATCCX-CZUORRHYSA-N	300.427	4.000	70	20	DIID	
CCCOc1cc(C)ccc1NC(=O)C[C@@H](C)c1ccncc1	160150357	OKIGRDRZHZGVKU-OAHLLOKOSA-N	312.413	4.311	70	20	DIID	
Cc1csc(CCCCN[C@@H](C)c2cccnc2Cl)n1	160661691	JSVAHBSKDVELJJ-LBPRGKRZSA-N	309.866	4.173	70	20	DIID	
CCCCn1ncc(C(=O)Nc2ccc(C)c3ncccc23)c1C	160705651	FLMKKZOFXJBFAS-UHFFFAOYSA-N	322.412	4.101	70	20	DIID	
Cc1ccc(C)c([C@H](C)NCc2cccc(N3CCCC3=O)c2)c1	160755464	ICEKGPQIPLDQHO-KRWDZBQOSA-N	322.452	4.281	70	20	DIID	
CC(C)[C@@H](CNC(=O)C1CCC(C)(C)CC1)c1cccnc1	161061816	ZVSPHNDOBSSRJG-QGZVFWFLSA-N	302.462	4.154	70	20	DIID	
Cc1nc(C(C)(C)C)sc1[C@H](C)N[C@H]1CCC[C@H](N(C)C)C1	161100764	JWSOBSVBJVRDKN-QEJZJMRPSA-N	323.550	4.272	70	20	DIID	
Cc1ccc(C)c(CC(=O)Nc2[nH]nc(-c3ccc(C)o3)c2C)c1	161397745	IOFGNBWFLJMDQU-UHFFFAOYSA-N	323.396	4.085	70	20	DIID	
C[C@@H](NC1CCN(C)CC1)c1cccc(OCc2ccccc2)c1	161414639	NMVNQQUMLSWVAB-QGZVFWFLSA-N	324.468	4.010	70	20	DIID	
CCOc1ccc(NC(=O)c2cc(F)cc3cccnc23)c(C)c1	161373339	NLURMFWHIUUIIO-UHFFFAOYSA-N	324.355	4.333	70	20	DIID	
C[C@@H](NC1CCN(C)CC1)c1ccccc1OCc1ccccc1	161447113	WGRAOSSZNPDTLU-QGZVFWFLSA-N	324.468	4.010	70	20	DIID	
CCc1ccc(C(=O)N[C@@H](C[C@H]2CCOC2)c2ccccc2)cc1	159485202	HOFYNBIVDWPTGR-XLIONFOSSA-N	323.436	4.147	70	20	DIID	
CCOc1ccc([C@H](C)N[C@@H](C)c2cncc(F)c2)cc1OC	159969722	MTJDHRBWOWVWMI-STQMWFEESA-N	318.392	4.040	70	20	DIID	
Cc1ccc(OC(=O)c2cc(C(C)C)nc3onc(C)c23)c(C)c1	217954786	BFOWHQCHCYEPMA-UHFFFAOYSA-N	324.380	4.491	70	20	DIID	
Cc1cccc([C@H](NC(=O)C2CCCCC2)c2ccccn2)c1	159804445	DFKBWAZJRWXPBO-IBGZPJMESA-N	308.425	4.176	70	20	DIID	
CC(C)c1cc(N[C@@H]2CCO[C@H](C3CC3)C2)nc(C(C)C)n1	160269333	JERWPLLNOKIRLC-ZBFHGGJFSA-N	303.450	4.093	70	20	DIID	
Cc1ccc(CN[C@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)s1	160912798	UPAQRWJOIMEKOS-GFCCVEGCSA-N	314.454	4.137	70	20	DIID	
C[C@@H](N[C@@H]1CCOC(C)(C)C1)c1ccccc1C(F)(F)F	159939216	HRJWAWOVOCSNFJ-VXGBXAGGSA-N	301.352	4.314	70	20	DIID	
CC[C@H](NC(=O)[C@@H]1C[C@@H]1c1sccc1C)c1c(C)noc1C	160318254	IURIETREGXODCK-MJBXVCDLSA-N	318.442	4.032	70	20	DIID	
CCCNC(=O)c1cccc(CN[C@H](C)c2ccc(C)cc2C)c1	160618386	GNQCAKRSRDYBFC-QGZVFWFLSA-N	324.468	4.294	70	20	DIID	
COc1ccc(C(=O)N2C[C@@H](C)CSc3ccccc32)cc1	159640451	OPNPAEBYQNJUGP-CYBMUJFWSA-N	313.422	4.084	70	20	DIID	
c1ccc(CC[C@@H]2CCCN2Cc2noc3c2CCCC3)cc1	217026632	HPLLJLQYSFNBNM-KRWDZBQOSA-N	310.441	4.151	70	20	DIID	
C[C@H](N[C@@H]1CCN2CCCC[C@@H]12)c1cc(Cl)ccc1Cl	217656773	MLQQRIKXKUPAFX-XZJROXQQSA-N	313.272	4.271	70	20	DIID	
Cc1nc(-c2cccnc2)sc1[C@H](C)N[C@H]1CCCSC1	159600675	TWEHDXRMZUMEHQ-FZMZJTMJSA-N	319.499	4.060	70	20	DIID	
CC(C)[C@@H](Sc1ccncc1)C(=O)Nc1ccccc1Cl	160001753	VCOQSRKECLIKOQ-OAHLLOKOSA-N	320.845	4.490	70	20	DIID	
Cc1ccc(C(=O)N[C@H](c2cccc(C)c2)c2ccccn2)cc1	160189478	JKGNPPXSRYNSPQ-HXUWFJFHSA-N	316.404	4.218	70	20	DIID	
C[C@H]1C[C@H]1C(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1	160480186	QSQBEMAOTMYYRD-SWLSCSKDSA-N	306.365	4.013	70	20	DIID	
COc1cc(Cl)c(C)cc1NC(=O)NCc1ccccc1C	217313818	KMPKCNYNPBZESF-UHFFFAOYSA-N	318.804	4.287	70	20	DIID	
CC(C)c1cc(C(=O)N2c3ccccc3S[C@H](C)[C@@H]2C)no1	160263387	VLVGLFKXYSVDLN-NWDGAFQWSA-N	316.426	4.328	70	20	DIID	
CCc1ccc([C@@H](C)C(=O)N[C@H](CC)c2c(C)noc2C)cc1	160506945	GOJDZXBPJNKIAM-SJKOYZFVSA-N	314.429	4.225	70	20	DIID	
CC(C)C[C@@H]1CCCCCN1C(=O)C[C@@H](C)c1ccncc1	160768198	XVOHJVFEJUBJLJ-AEFFLSMTSA-N	302.462	4.393	70	20	DIID	
CCc1cccc(CC)c1NC(=O)NCCc1cccc(C)c1	217401476	JFWHTWKFYXGFTB-UHFFFAOYSA-N	310.441	4.484	70	20	DIID	
CCc1ccc(C(=O)Nc2cc(F)ccc2OC(F)F)cc1	159398662	XOROCVCDCHEHDA-UHFFFAOYSA-N	309.287	4.242	70	20	DIID	
CCc1ncc(C(=O)N2C[C@H](C)CSc3ccccc32)s1	159659978	LCXUCUDOSPTRII-NSHDSACASA-N	318.467	4.094	70	20	DIID	
COCCOc1cccc(NCc2ccc(Cl)cc2F)c1	160775674	LKSVJARNUJEUOH-UHFFFAOYSA-N	309.768	4.116	70	20	DIID	
Cc1ccccc1CNC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2	217313791	JRSXUIGPUVBMPT-APWZRJJASA-N	300.446	4.105	70	20	DIID	
CCCCCC[C@H](C)NC(=O)c1c(C(C)C)nn(C)c1Cl	159630966	OBHULNPMVNUOQI-LBPRGKRZSA-N	313.873	4.286	70	20	DIID	
Cc1cnc([C@@H](Nc2nc(C(C)(C)C)ns2)C2CC2)s1	159656420	BVAGDGBXYISFBU-JTQLQIEISA-N	308.476	4.164	70	20	DIID	
C[C@@H]1C[C@@H]1c1ccc(CNc2cccc(C(=O)N3CCCC3)c2)o1	160074667	ZGFNSGCPXDPNHD-KDOFPFPSSA-N	324.424	4.251	70	20	DIID	
CCCC(O)(CCC)CC(=O)Nc1ccc(OCC)cc1C	160146729	CKGSKDHLRRZRBU-UHFFFAOYSA-N	307.434	4.054	70	20	DIID	
Cc1csc(CCCCN[C@H](C)c2cccnc2Cl)n1	160661856	JSVAHBSKDVELJJ-GFCCVEGCSA-N	309.866	4.173	70	20	DIID	
CC(=O)Nc1ccc(NCc2ccc(Cl)cc2F)cc1C	160687551	MCKUYNVKKIVTSR-UHFFFAOYSA-N	306.768	4.358	70	20	DIID	
C[C@@H](CC(=O)N[C@H](C)c1c(F)cccc1Cl)c1ccncc1	161238163	RCDBJJSTLJXYBP-NWDGAFQWSA-N	320.795	4.245	70	20	DIID	
C[C@H](NC[C@H](Cc1ccccc1)c1ccccc1)c1cnccn1	161244298	FBNIHAQFNRZTOU-PXNSSMCTSA-N	317.436	4.154	70	20	DIID	
C[C@H](N[C@H]1CCN2CCCC[C@@H]12)c1cc(Cl)ccc1Cl	217656936	MLQQRIKXKUPAFX-UVBJJODRSA-N	313.272	4.271	70	20	DIID	
O=C(/C=C/c1ccc(Cl)nc1)N[C@H]1CCCc2sccc21	160493149	KIRIQRGYMGLRIK-IYNGYCSASA-N	318.829	4.004	70	20	DIID	
CCC(CC)n1nccc1C(=O)Nc1cccc(SC)c1	161222725	DNEKAFNWOSJHHT-UHFFFAOYSA-N	303.431	4.218	70	20	DIID	
COc1ccc(SCc2noc(C3CCCCC3)n2)cc1	159390547	HWYDFWZDSVIXIY-UHFFFAOYSA-N	304.415	4.418	70	20	DIID	
Cc1cccc([C@@H](NC(=O)c2cc(C)oc2C)c2ccccn2)c1	159810562	FTNMUCQQPOKPNZ-LJQANCHMSA-N	320.392	4.119	70	20	DIID	
Cc1cccc(C)c1OCCSCCc1c(C)noc1C	160078038	JTPFQDZHOPISSC-UHFFFAOYSA-N	305.443	4.263	70	20	DIID	
CC(C)N(CC(F)F)C(=O)[C@@H](C)Cc1ccc(Cl)cc1	160094944	AHNLDQIPJKNIQJ-NSHDSACASA-N	303.780	4.021	70	20	DIID	
Cc1ccc(NC(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)cc1C	160936669	LKZDWAXAFMSZHZ-OALUTQOASA-N	324.424	4.345	70	20	DIID	
CCC(CC)n1ncc(C(=O)Nc2cccc(F)c2F)c1C	161404685	XTGWNIBYGUDCHU-UHFFFAOYSA-N	307.344	4.083	70	20	DIID	
Clc1ccc2nc(SCc3noc4c3CCCC4)[nH]c2c1	217007500	NLCRJGZHKXCZCL-UHFFFAOYSA-N	319.817	4.375	70	20	DIID	
CC[C@]1(C)C[C@H]1C(=O)N(Cc1ccco1)Cc1cccs1	159486405	VXXZDHLQDBSWQM-DOTOQJQBSA-N	303.427	4.306	70	20	DIID	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCCCOC1CCCCC1	159871530	CSJONDORJBGOKI-HZPDHXFCSA-N	321.486	4.016	70	20	DIID	
CCCn1nccc1CN[C@H](C)c1ccc(Cl)cc1Cl	159965481	KCRIYLMUVVEHHJ-LLVKDONJSA-N	312.244	4.451	70	20	DIID	
C[C@H](CC(=O)N(CC1CCCCC1)C1CC1)c1ccncc1	160168870	SAZIBAOMWQSDTO-OAHLLOKOSA-N	300.446	4.147	70	20	DIID	
CCNC(=O)c1cccc(CN[C@@H](C)c2ccc(Cl)s2)c1	160168997	CPAXSGKWFDJXHL-NSHDSACASA-N	322.861	4.002	70	20	DIID	
Cc1ccc(CNC(=O)C23C[C@H]4C[C@@H](CC(F)(C4)C2)C3)cc1F	160291953	WWMHRKZGZUKHLN-QAQJPARQSA-N	319.395	4.059	70	20	DIID	
CC(C)c1ccc([C@H]2CCCCN2C(=O)C2CCOCC2)cc1	160345919	KLGHUFZBDFLRBD-LJQANCHMSA-N	315.457	4.290	70	20	DIID	
Cc1cc(C(=O)N2CCCN(C)c3ccc(Cl)cc32)oc1C	160699187	KTNQFYIPGZEEIF-UHFFFAOYSA-N	318.804	4.037	70	20	DIID	
O=C(NC1CC=CC1)C1(c2ccc(Cl)c(Cl)c2)CCC1	160766892	RDHCMSFKJSCKAP-UHFFFAOYSA-N	310.224	4.250	70	20	DIID	
C[C@H]1CC[C@@H](C)N1C(=O)CCc1ccc(-c2ccccc2F)o1	161450770	JKGYWYGAFGFIGT-OKILXGFUSA-N	315.388	4.418	70	20	DIID	
Cc1cc(NC(=O)c2ccc(C)c(C)c2)n(-c2ccc(F)cc2)n1	217342296	JOSINLZMLAIQOI-UHFFFAOYSA-N	323.371	4.189	70	20	DIID	
C[C@@H](c1cccc(Cl)c1)N(C)C[C@@](C)(O)c1ccccc1	217825414	QXRUZQMPEXVCSJ-KBXCAEBGSA-N	303.833	4.241	70	20	DIID	
C[C@@H](N[C@H]1CCOC(C)(C)C1)c1ccccc1C(F)(F)F	159939487	HRJWAWOVOCSNFJ-NEPJUHHUSA-N	301.352	4.314	70	20	DIID	
CC1(C)Cc2occc2[C@@H](NC2CCN(C3CCCC3)CC2)C1	160473156	HUAGMGXOLYBQSZ-SFHVURJKSA-N	316.489	4.290	70	20	DIID	
Cc1cc(C(=O)N2CCCC[C@@H]2CCCc2ccccc2)on1	161174729	MAKVWUCMCGTZKV-QGZVFWFLSA-N	312.413	4.001	70	20	DIID	
CC[C@@H]1CCCC[C@@H]1N(C)C(=O)c1occc1Br	161199773	VDMBBILMQJZJOQ-PWSUYJOCSA-N	314.223	4.083	70	20	DIID	
O=C(NCCc1cc2ccccc2[nH]1)C12CC3CC(CC(C3)C1)C2	159672166	WVDVFJIBVGYYBO-UHFFFAOYSA-N	322.452	4.043	70	20	DIID	
CC(C)c1ccc(C(=O)N2C[C@H](C(C)C)Nc3ccccc32)cn1	159811095	IKHIZAQKMHCOSX-GOSISDBHSA-N	323.440	4.302	70	20	DIID	
COc1cccc2cc([C@@H](C)N[C@H]3CCOC(C)(C)C3)oc12	159953871	UFDLPYGRNDBWDZ-OCCSQVGLSA-N	303.402	4.050	70	20	DIID	
Cc1nn(C(C)(C)C)cc1[C@@H](C)Nc1nc(C(C)(C)C)ns1	160368019	PLESYKLJXJPJBN-SNVBAGLBSA-N	321.494	4.269	70	20	DIID	
C[C@H](Cc1ccc(-c2ccccc2)cc1)N[C@H](C)[C@@H]1CCOC1	160641948	SVZDWQYSEJDJTN-CBGDNZLLSA-N	309.453	4.299	70	20	DIID	
CC(C)Oc1cncc(C(=O)N2CCC3(CCCCC3)CC2)c1	160747658	JVAZABVOFVYXDS-UHFFFAOYSA-N	316.445	4.055	70	20	DIID	
CC(C)c1ccc(-c2ncc(CS[C@H](C)C(N)=O)s2)cc1	160976154	XBZIKUWLMUDFJG-LLVKDONJSA-N	320.483	4.041	70	20	DIID	
CCC[C@H](C)[C@H]1CCCN1C(=O)C[C@@H](C)c1c(C)noc1C	160499234	QEEVREFFVCKKPS-WOSRLPQWSA-N	306.450	4.212	70	20	DIID	
CC[C@H]1CCCC[C@@H]1N(C)C(=O)c1cnc(-c2ccccc2)nc1	161124305	JCWMWWJZTVFLFY-YJBOKZPZSA-N	323.440	4.184	70	20	DIID	
CC[C@@H]1c2ccsc2CCN1Cc1noc2c1CCCC2	217025369	FVJULDGXHIFRMW-OAHLLOKOSA-N	302.443	4.124	70	20	DIID	
CCc1cccc(NC(=O)Nc2ccccc2N2CCCC2)c1	217184117	MRBKRKMUUAOEMA-UHFFFAOYSA-N	309.413	4.493	70	20	DIID	
CC(C)(C)c1nsc(N[C@@H]2CCOC3(CCCCC3)C2)n1	160015958	UBNUWZUAZNCKDW-GFCCVEGCSA-N	309.479	4.129	70	20	DIID	
C[C@@H](N[C@H](CCO)c1ccccc1)c1ccc(OC(F)F)cc1	161073715	ZADLFBSVTFYCCL-CXAGYDPISA-N	321.367	4.062	70	20	DIID	
C[C@@H](NC(=O)Nc1cccc(-c2nccs2)c1)C1CCC1	161498690	QEBWSNRHVNXDGL-LLVKDONJSA-N	301.415	4.120	70	20	DIID	
CC(C)n1cc(NC(=O)N[C@@H]2CC(C)(C)c3ccccc32)cn1	160244090	UCPQNMYMQVESHK-MRXNPFEDSA-N	312.417	4.008	70	20	DIID	
c1ccc(SCCNC2CCN(c3ccccc3)CC2)cc1	160518906	OLWJZZNJJRBMQL-UHFFFAOYSA-N	312.482	4.037	70	20	DIID	
CC(C)(C)CC(C)(C)NC(=O)NCCc1cccc(Cl)c1	217461394	PXAJAFZQXZDUMN-UHFFFAOYSA-N	310.869	4.397	70	20	DIID	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N(C)Cc1ccc(F)c(F)c1	160792954	QOPRCLIPMVEKDX-OLZOCXBDSA-N	321.392	4.097	70	20	DIID	
CCCCc1ccc(NC(=O)N[C@H]2CCO[C@H](C3CC3)C2)cc1	160975823	JKTANYCALIABGI-ROUUACIJSA-N	316.445	4.108	70	20	DIID	
Cc1ccc(NC(=O)N2CCC[C@@H]2c2ccccc2Cl)cn1	161493462	GVXXPUDSLAHZDG-MRXNPFEDSA-N	315.804	4.412	70	20	DIID	
Cc1cccc(N[C@@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)c1	218727821	PKUZAXXEEIISPV-GJZGRUSLSA-N	322.408	4.419	70	20	DIID	
CCCCCc1nnc(NC(=O)Nc2cscc2C)s1	159841112	HSSVRTOONAEBTQ-UHFFFAOYSA-N	310.448	4.285	70	20	DIID	
C[C@H](Nc1ccccc1O[C@H]1CCOC1)c1ccccc1F	159961976	RDRFTXRIEADADI-KBPBESRZSA-N	301.361	4.167	70	20	DIID	
CCCOc1cc(C)ccc1NC(=O)C[C@H](C)c1ccncc1	160150490	OKIGRDRZHZGVKU-HNNXBMFYSA-N	312.413	4.311	70	20	DIID	
CC[C@H](C(=O)NCCc1cc2ccccc2[nH]1)c1ccc(F)cc1	161287954	NSCDDKHZLREFRO-SFHVURJKSA-N	324.399	4.160	70	20	DIID	
C[C@@H](Nc1ccc2ccccc2c1)C(=O)NCc1ccccc1F	218731192	FYOOIOVYOTULKD-CQSZACIVSA-N	322.383	4.096	70	20	DIID	
O=C(N[C@@H]1CCCc2sccc21)c1cccc(F)c1Cl	159912065	RYPMBLKYBRVTCN-GFCCVEGCSA-N	309.793	4.348	70	20	DIID	
Cc1ncc([C@@H](C)N[C@H](C)c2ccc3c(c2)CCCC3)c(C)n1	160294396	ALWJFAYBIUKNCQ-ZIAGYGMSSA-N	309.457	4.384	70	20	DIID	
CCC[C@@H](C)[C@H]1CCCN1CC1CCN(C(=O)C(C)(C)C)CC1	160301653	NAAQZDLESMGOPE-SJLPKXTDSA-N	322.537	4.172	70	20	DIID	
CCCN(CC1CC1)C(=O)c1cncc(-c2cccc(C)c2)c1	160384928	XXXCFCVPLHUHNO-UHFFFAOYSA-N	308.425	4.319	70	20	DIID	
CSC[C@@H]1CCCN1C(=O)CCC(C)(C)c1ccccc1	160532272	KFVSUXDHCFPYHP-INIZCTEOSA-N	305.487	4.098	70	20	DIID	
CC[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1cccc(Cl)c1	216627274	RZSPGQOMMUWEGI-MRXNPFEDSA-N	323.845	4.078	70	20	DIID	
Cc1cc(C)cc(NC(=O)CN[C@@H](C)c2cc3ccccc3o2)c1	216686882	SOIQBJHWUDWLGD-HNNXBMFYSA-N	322.408	4.339	70	20	DIID	
CCc1cccc(CC)c1NC(=O)NCCc1ccc(C)cc1	217307773	WOXARLKTZYIBOG-UHFFFAOYSA-N	310.441	4.484	70	20	DIID	
COc1ccc(NC(=O)c2scc(-c3ccccc3)c2N)cc1	218441655	BBBKPAOKXULRQE-UHFFFAOYSA-N	324.405	4.258	70	20	DIID	
CCC[C@@H](NCC1(C)COC1)c1ccc(Cl)cc1Cl	159505283	JVNLPXPEDSMUQK-CQSZACIVSA-N	302.245	4.461	70	20	DIID	
Cc1ccccc1[C@@H](C)Nc1ccc(C)c(N2CCOC2=O)c1	159747472	BUMANOBCULKOKY-OAHLLOKOSA-N	310.397	4.433	70	20	DIID	
C[C@@H](Sc1ccncc1)C(=O)N[C@H](C)c1ccc(Cl)cc1	159980605	LQXZGRAXGLZPJD-VXGBXAGGSA-N	320.845	4.093	70	20	DIID	
C[C@H](CCC(=O)N[C@@H]1CCc2c(O)cccc21)c1ccccc1	160043109	GDGHUADDXIPTRF-RDTXWAMCSA-N	309.409	4.080	70	20	DIID	
C[C@H]1C[C@@H]1C(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1	160479908	QSQBEMAOTMYYRD-WFASDCNBSA-N	306.365	4.013	70	20	DIID	
Cc1cccc([C@@H](NC(=O)c2ccc(C)s2)c2ccccn2)c1	159999634	KVRIBWVWZZEKTG-GOSISDBHSA-N	322.433	4.279	70	20	DIID	
O=C(N[C@H]1CCOC2(CCCCC2)C1)c1cc2ccccc2o1	160597493	FEHVHUTVJKKDBR-HNNXBMFYSA-N	313.397	4.045	70	20	DIID	
Cc1cc(NC[C@@H](c2cccc(F)c2)N(C)C)c2ccccc2n1	218466551	LLENZSMINFOSBS-FQEVSTJZSA-N	323.415	4.397	70	20	DIID	
Nc1ccc2c(c1)CCC[C@@H]2Nc1ncc(Cl)cc1Cl	159510542	RXPBYBSVGLSJGB-AWEZNQCLSA-N	308.212	4.460	70	20	DIID	
Cc1ccccc1CN(C)C(=O)Nc1ccnc(C)c1Cl	159958217	ZWOINFWBXGESCC-UHFFFAOYSA-N	303.793	4.016	70	20	DIID	
Cc1sc(NC(=O)COc2ccc3[nH]ccc3c2)c(C)c1C	160042760	BEALIYOBOZUDNR-UHFFFAOYSA-N	314.410	4.172	70	20	DIID	
O=C(NCC1(C2CC2)CC1)C(c1ccccc1)c1ccccc1	159932960	IWLGTBAQROPEFY-UHFFFAOYSA-N	305.421	4.125	70	20	DIID	
CSCCCNC(=O)Nc1ccc(COC2CCCC2)cc1	160539197	VUDFBVXEVDQXMQ-UHFFFAOYSA-N	322.474	4.020	70	20	DIID	
CCc1ccccc1NC(=O)NCCc1ccc(Cl)cc1	217308596	GCZDGRKIRBJCCI-UHFFFAOYSA-N	302.805	4.267	70	20	DIID	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCCc1cccc(Cl)c1	159699109	YNVSZYXIPULDDY-HUUCEWRRSA-N	319.857	4.172	70	20	DIID	
CC1CCN(c2cccc(NC(=O)N(C)CC3CCC3)c2)CC1	159705699	MNDTZMWYNIJTIH-UHFFFAOYSA-N	315.461	4.187	70	20	DIID	
COc1ccc(N(C)C(=O)c2ccc3[nH]ccc3c2)cc1Cl	159871521	XKDPSIAEZKHYBE-UHFFFAOYSA-N	314.772	4.107	70	20	DIID	
CC(C)c1ccc(C(=O)N2CCC[C@@H]2Cc2ccccc2)cn1	160604093	LYUNJCYQRNAHRD-GOSISDBHSA-N	308.425	4.052	70	20	DIID	
C[C@@H]1Cc2ccc(F)cc2[C@@H]1N[C@@H](CCCO)c1ccccc1	160922312	CBADYYVVGPQYMB-VOBQZIQPSA-N	313.416	4.162	70	20	DIID	
C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NCc2ccco2)C1	161325405	RWHRQSCHORPMJF-GJZGRUSLSA-N	312.413	4.010	70	20	DIID	
Cc1ccc(F)c(C(=O)NCCc2csc3ccccc23)c1	216657150	NKENFLOWXPYSRN-UHFFFAOYSA-N	313.397	4.321	70	20	DIID	
Cc1ccc(-c2ccsc2C(=O)Nc2ncccc2O)cc1	216836447	FLKYDMFAUNAYIR-UHFFFAOYSA-N	310.378	4.076	70	20	DIID	
Cc1cc(C(=O)O[C@@H](c2ccccn2)C(F)(F)F)sc1C	159852935	OJKWUNPKAGWXMS-LBPRGKRZSA-N	315.316	4.220	70	20	DIID	
CC(C)CC1(C(=O)N[C@H]2CCOC3(CCCC3)C2)CCCC1	160154219	NHWPLTFYJQFYLB-INIZCTEOSA-N	307.478	4.201	70	20	DIID	
Cc1c([C@H](C)N[C@H](C)c2ccco2)cnn1-c1ccc(F)cc1	160223073	OAAKFAKSFUYFBF-QWHCGFSZSA-N	313.376	4.325	70	20	DIID	
Cc1cc([C@H](C)NC(=O)NC[C@@]2(C)CCCS2)c(C)s1	160333914	IZIWYZTXPQKCOQ-XHDPSFHLSA-N	312.504	4.011	70	20	DIID	
CC(C)(C(=O)Nc1cccc(OCCF)c1)c1ccc(F)cc1	160434760	RDKWZMUGAHLCFB-UHFFFAOYSA-N	319.351	4.090	70	20	DIID	
CC[C@H](C)CN(CC)[C@@H](C)c1nc(Cc2ccccc2)no1	160525018	GULHDGIQKMZXJY-GJZGRUSLSA-N	301.434	4.089	70	20	DIID	
CC[C@H](C(=O)N[C@@H]1CCOC2(CCCCC2)C1)c1ccccc1	160855279	CXWIWGLNPNEMER-MSOLQXFVSA-N	315.457	4.178	70	20	DIID	
COC(=O)N(C)c1ccc(NC(=O)C(C)(C)C2CCCC2)cc1	161028349	BRGPDVZMGUIMPW-UHFFFAOYSA-N	318.417	4.044	70	20	DIID	
Cc1ccc(-c2n[nH]c(NC(=O)c3cccc(C)c3C)c2C)o1	161406009	ALPUBPMQTQTZBY-UHFFFAOYSA-N	309.369	4.156	70	20	DIID	
CC(C)CCn1ccc(NC(=O)N(C)[C@H](C)c2cccs2)n1	159633601	HUQGKQMWLFYFTG-CYBMUJFWSA-N	320.462	4.216	70	20	DIID	
CCCn1nccc1CN[C@H](c1ccc(Cl)cc1)C(C)C	160026539	QPOVSEALIIQTBI-KRWDZBQOSA-N	305.853	4.433	70	20	DIID	
CC(C)OC(=O)c1csc(-c2ccc(OC(C)C)cc2)n1	160462021	KYFLHDYJRPHAAH-UHFFFAOYSA-N	305.399	4.163	70	20	DIID	
CCOc1cccc(NC(=O)c2cnn(C(CC)CC)c2C)c1	160491313	LXFABSGSMWRRGC-UHFFFAOYSA-N	315.417	4.204	70	20	DIID	
CC(C)[C@H](c1ccccc1)N(C)C(=O)C[C@H](C)c1ccncc1	160575545	CDUDMMPRQBEZIN-OXJNMPFZSA-N	310.441	4.431	70	20	DIID	
CSCC[C@H](C)N(C)C(=O)c1cc(Cl)c2ccccc2n1	161241832	ZOCYMTUACARVPD-NSHDSACASA-N	322.861	4.102	70	20	DIID	
C/C(=C/c1ccccc1Cl)c1nc2sccc2c(=O)[nH]1	161467557	AWDXYWAQXNRYEB-HJWRWDBZSA-N	302.786	4.199	70	20	DIID	
CCCCOc1ccc(NC(=O)N(C)[C@@H]2CCSC2)c(C)c1	161499438	KUVKKWCZQNVUDS-CQSZACIVSA-N	322.474	4.143	70	20	DIID	
COc1ccc(OCCN[C@H](C)c2cc3ccccc3o2)cc1	216689891	VLEVXWBTACKMRA-CQSZACIVSA-N	311.381	4.171	70	20	DIID	
CN(Cc1noc2c1CCCC2)Cc1csc2ccccc12	217025594	DPJVSZDYKBGYAM-UHFFFAOYSA-N	312.438	4.400	70	20	DIID	
CC(C)=CCOC(=O)Cc1csc(-c2cccc(F)c2)n1	217513396	UFIGIDPZJGCDLF-UHFFFAOYSA-N	305.374	4.001	70	20	DIID	
COc1cc(C)ccc1NC(=O)N[C@H](C)c1cccc(F)c1F	159983200	WRYGNRTYPHBNNO-LLVKDONJSA-N	320.339	4.165	70	20	DIID	
CCC(CC)n1nccc1C(=O)N[C@@H]1CCCc2sccc21	160007632	DAKNMHILBUYPRB-CQSZACIVSA-N	317.458	4.113	70	20	DIID	
C[C@@H](Cc1cccc(Cl)c1)C(=O)N[C@H](C)c1cccc(O)c1	160259427	JNFAAKZHYGZUJB-QWHCGFSZSA-N	317.816	4.102	70	20	DIID	
Cc1noc(C)c1CSCc1noc(C2CCCCC2)n1	160682327	GJEXLCCECOQFBV-UHFFFAOYSA-N	307.419	4.156	70	20	DIID	
C[C@@H](CC(=O)c1cccs1)NC(=O)C[C@H](C)c1ccccc1	160740030	SUUHEOKAXYEZBG-KBPBESRZSA-N	315.438	4.019	70	20	DIID	
C[C@H](N[C@@H](CCCO)c1ccccc1)c1ccc2c(c1)CCC2	160740048	AKZWBAOXAMFEGP-KKSFZXQISA-N	309.453	4.340	70	20	DIID	
O=C(c1ccc(F)c(Cl)c1)N1CCSc2ccccc21	160842748	LNNXXMWWXHPUIX-UHFFFAOYSA-N	307.777	4.232	70	20	DIID	
Cc1nccc(NC(=O)N(C2CC2)[C@H](C)c2ccco2)c1Cl	159523003	AZVHJGUQGJRRDY-LLVKDONJSA-N	319.792	4.394	70	20	DIID	
O=C(NCC1(C2CC2)CC1)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1	159795354	QSGKROXIAPQCIS-HUUCEWRRSA-N	323.358	4.115	70	20	DIID	
CC[C@@H](NC(=O)C(C)(C)c1ccc(C)cc1)c1c(C)noc1C	160357804	RELSFCYPEWBVPL-MRXNPFEDSA-N	314.429	4.145	70	20	DIID	
FC(F)(F)c1cnc(N[C@@H]2CCO[C@H](C3CC3)C2)c(Cl)c1	160385783	NEWJRPNQUXMVER-PWSUYJOCSA-N	320.742	4.123	70	20	DIID	
CC(=O)c1c(F)cccc1N[C@H]1CCO[C@@H](c2ccccc2)C1	160631825	VJCPQXJYGGKHCZ-MAUKXSAKSA-N	313.372	4.361	70	20	DIID	
OCc1cc2ccccc2nc1N[C@H]1CCCc2sccc21	161050635	UFLRSIBYYHCTGM-INIZCTEOSA-N	310.422	4.278	70	20	DIID	
CCCOc1ccc(NC(=O)N2CC[C@H](C)[C@@H](C)C2)c(C)c1	159778546	MLJWPNFETUHOKO-ZFWWWQNUSA-N	304.434	4.294	70	20	DIID	
CCCCn1ncc(NC(=O)N[C@H](C)c2cc(C)oc2C)c1C	159816968	WLEVVNJEPPGSBY-GFCCVEGCSA-N	318.421	4.084	70	20	DIID	
Cc1nc2ccccn2c1CN[C@@H](c1ccccc1)C1CCC1	159820481	FIHKSVKKRDCIKF-FQEVSTJZSA-N	305.425	4.274	70	20	DIID	
CC(C)Oc1cccc([C@@H](C)NC(=O)N2CCC3(CCC3)C2)c1	160361164	CZPUOYFQMRLYQX-OAHLLOKOSA-N	316.445	4.120	70	20	DIID	
FC(F)(F)c1cccc(N[C@@H]2CCO[C@H](c3ccccc3)C2)n1	160544304	XFPVNMKZAWRRNV-KGLIPLIRSA-N	322.330	4.433	70	20	DIID	
CC[C@@H](NC(=O)c1cc(SC)ccc1C)c1c(C)noc1C	160636682	FZKZOXQVNHXVDO-OAHLLOKOSA-N	318.442	4.203	70	20	DIID	
Cc1ncccc1CN1CCC[C@@H]1c1nc2ccccc2s1	160717732	NTCBVAWYCVMSPT-MRXNPFEDSA-N	309.438	4.337	70	20	DIID	
Cc1cnc([C@H](NC(=O)c2ccc(Cl)cc2C)C2CC2)s1	160753711	HCJBSVPRLBDZPJ-CQSZACIVSA-N	320.845	4.294	70	20	DIID	
COc1ccc(Cl)c(NC(=O)N2CC[C@@H]3CCCC[C@@H]32)c1	160770656	CWQQOPVNQDQMJS-NHYWBVRUSA-N	308.809	4.145	70	20	DIID	
O=C(C(c1ccccc1)c1ccccc1)N1[C@H]2C=CC[C@H]1CC2	218725457	HGSHQJBOZPLZHM-OALUTQOASA-N	303.405	4.138	70	20	DIID	
Cc1noc(C)c1[C@@H](C)CC(=O)N(CC(C)C)CC(C)(C)C	159489579	FBUONONJTBGAAT-ZDUSSCGKSA-N	308.466	4.316	70	20	DIID	
CCC(=O)N(Cc1cccc(C(F)(F)F)c1)Cc1ccccn1	160807097	LTNAZJQJUNHOHY-UHFFFAOYSA-N	322.330	4.039	70	20	DIID	
Cc1ccc(NC(=O)N2C[C@@H](C)C[C@H]2c2cccc(F)c2)cn1	161321940	SBZDSOYFPLNSMB-SJCJKPOMSA-N	313.376	4.144	70	20	DIID	
Cc1ccc(-c2noc([C@H](C)N[C@H]3CCCC[C@@H]3C)n2)cc1F	218716695	BNXHIUCACQJDBD-XEZPLFJOSA-N	317.408	4.413	70	20	DIID	
COC(=O)Nc1ccc(NCc2ccc(Cl)cc2F)cc1	160740139	LYPLPTCKWGHBCD-UHFFFAOYSA-N	308.740	4.270	70	20	DIID	
COc1ccc2oc([C@H](C)NCc3ccc(C)nc3)c(C)c2c1	161299719	ORROSJNESBBAGD-AWEZNQCLSA-N	310.397	4.304	70	20	DIID	
Cc1nc(Cc2ccccc2)sc1C(=O)N1[C@@H](C)CC[C@H]1C	161475468	LNIXEPDIPUZCDF-BETUJISGSA-N	314.454	4.055	70	20	DIID	
Cc1ccccc1Cc1noc(COc2ccc3[nH]ccc3c2)n1	160057958	BXRJDEHKHWWUMJ-UHFFFAOYSA-N	319.364	4.029	70	20	DIID	
Cc1ccc(CCNC(=O)N(C)[C@H](C)c2ccccc2F)cc1	217225424	QOZMAJVDEXCIMA-OAHLLOKOSA-N	314.404	4.079	70	20	DIID	
O=C(NCCCc1ccccc1)Nc1ccc(C(F)(F)F)cc1	217313010	SAQAIDRGHSDWCZ-UHFFFAOYSA-N	322.330	4.460	70	20	DIID	
CCOC(=O)[C@H](Sc1ccc(F)c(F)c1)c1ccccc1	218637523	KYZADRYIROQBBH-OAHLLOKOSA-N	308.349	4.361	70	20	DIID	
CC(=O)c1c(C)[nH]c(C(=O)N[C@@H]2CC[C@H](C)c3ccccc32)c1C	159763232	DOHDRIJWYZQAQM-APPDUMDISA-N	324.424	4.203	70	20	DIID	
Cc1nccc(NC(=O)N2C[C@H](C)[C@H]3CCCC[C@@H]32)c1Cl	159866692	IKQLHPWGGPPJPB-SUHUHFCYSA-N	307.825	4.086	70	20	DIID	
Cc1nc2ccccn2c1CN(C)Cc1cc2ccccc2o1	160931196	PMHXGQJSUYIFHU-UHFFFAOYSA-N	305.381	4.021	70	20	DIID	
CCc1ncsc1NC(=O)[C@@H](OC(C)(C)C)c1ccccc1	161028512	BGDIIZCXKVAFBD-AWEZNQCLSA-N	318.442	4.200	70	20	DIID	
O=C(Nc1ccc2[nH]ncc2c1)C1(c2cccc(F)c2)CCCC1	218636863	PEQGSEPGQXRHLN-UHFFFAOYSA-N	323.371	4.153	70	20	DIID	
Cc1ccccc1[C@H](C)NCc1cccc(OCC(F)F)c1	159416548	BIDHWZROEWBRKT-AWEZNQCLSA-N	305.368	4.490	70	20	DIID	
COCc1ccc([C@H]2CCCN2C(=O)C[C@@H](C)CC(C)C)o1	161262913	IFZPSQWBNWWOSO-GOEBONIOSA-N	307.434	4.162	70	20	DIID	
C[C@H](N[C@H]1CCN2CCCC[C@@H]12)c1ccc(Cl)c(Cl)c1	217665702	VOXAZYJNPCOPOC-UVBJJODRSA-N	313.272	4.271	70	20	DIID	
Cc1nc(-c2ccccc2NC(=O)c2scnc2C)cs1	218599696	NXWUXFJPRYKKRU-UHFFFAOYSA-N	315.423	4.136	70	20	DIID	
CSCCCCC(=O)N1C[C@H](C)CSc2ccccc21	159568835	ATHVMUJLXBUCBG-ZDUSSCGKSA-N	309.500	4.295	70	20	DIID	
CC[C@H](c1ccccc1)S(=O)(=O)Cc1ccc(F)cc1F	160438934	VXFQBGGTBYVGKW-MRXNPFEDSA-N	310.365	4.031	70	20	DIID	
C[C@H](N[C@H](C)Cc1ccc(-c2ccccc2)cc1)[C@@H]1CCOC1	160641712	SVZDWQYSEJDJTN-LLGFUMIMSA-N	309.453	4.299	70	20	DIID	
CC[C@H](C)OCC(=O)N(CC)[C@@H](C)c1cc2ccccc2o1	160803762	ISCPKBRBEVOJGX-KBPBESRZSA-N	303.402	4.157	70	20	DIID	
CCSc1cc(Cl)ccc1C(=O)Nc1cnc(CC)nc1	161311669	MHXQYPMQOHYYMI-UHFFFAOYSA-N	321.833	4.057	70	20	DIID	
CCCC1(CNC(=O)c2c[nH]cc2-c2ccc(F)cc2)CC1	160642339	OQOPWOJFUGICDY-UHFFFAOYSA-N	300.377	4.131	70	20	DIID	
CC(C)OC1CCC(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1	161439124	QCYOAGAPZJHFTN-KYSLSKSNSA-N	321.505	4.445	70	20	DIID	
C[C@@H](c1c(F)cccc1F)N1CCO[C@@H](c2cccc(F)c2)C1	216706468	MBPVNITXZBLOKF-YVEFUNNKSA-N	321.342	4.238	70	20	DIID	
Cc1cccc(OC(=O)c2cc(C(C)C)nc3onc(C)c23)c1C	217946974	HJVLNCRGUUQCQV-UHFFFAOYSA-N	324.380	4.491	70	20	DIID	
O=C(N[C@@H]1CCCc2sccc21)C1(c2ccccc2F)CC1	160294350	LCBQCZRLJUQJIC-OAHLLOKOSA-N	315.413	4.113	70	20	DIID	
Cc1cccc2c(CCC(=O)N3CCC[C@@H]3c3ccc[nH]3)c[nH]c12	160307802	VJSUGPSOJOOHCZ-GOSISDBHSA-N	321.424	4.101	70	20	DIID	
C[C@@H](CC(=O)Nc1ccc(-c2ccccc2)cn1)c1ccncc1	160418858	HLQOMLNHTMQWFP-HNNXBMFYSA-N	317.392	4.276	70	20	DIID	
CSc1cc(C(=O)N2CC[C@@H](c3ccccc3)C2)ccc1F	160433836	VGRXYMMBHOCNTA-OAHLLOKOSA-N	315.413	4.177	70	20	DIID	
Cc1ccccc1N(CC[S@@](=O)c1ccccc1)C(C)C	216926722	SBSAPBFCNOPSEV-OAQYLSRUSA-N	301.455	4.018	70	20	DIID	
Cc1ccc(OCCCNC(=O)Nc2cc(C)ccc2C)cc1	217297942	XHLRAUCYVNRXRB-UHFFFAOYSA-N	312.413	4.202	70	20	DIID	
CC(C)Oc1ccc(CN[C@H]2CCCc3sccc32)cn1	160084100	WRZGZFCJLYYXPG-HNNXBMFYSA-N	302.443	4.098	70	20	DIID	
C[C@@H](CC(=O)N(C)[C@@H](C)c1cccc(Cl)c1)c1ccncc1	159519062	RBWJWASMBJOZFK-KBPBESRZSA-N	316.832	4.448	70	20	DIID	
CC[C@@H](c1ccncc1)N(C)C(=O)NCC(CC)(CC)CC	159957658	WQWCDDPMMCJKMG-INIZCTEOSA-N	305.466	4.391	70	20	DIID	
Cc1ccc(F)c(C(=O)N[C@@H]2CCCc3sccc32)c1F	160011256	FGVOUFDMSUPIIX-GFCCVEGCSA-N	307.365	4.142	70	20	DIID	
CN1CCC(N[C@@H](c2ccc(Cl)cc2)c2cccs2)CC1	160440580	YIVOWKVXADDBTI-KRWDZBQOSA-N	320.889	4.175	70	20	DIID	
CC[C@@H](NCc1ncc(C)c(OC)c1C)c1ccc(F)cc1F	160844813	ZJAGECNTJQONDD-MRXNPFEDSA-N	320.383	4.226	70	20	DIID	
COc1cc(F)ccc1NC(=O)CCCc1sccc1C	161122107	VSIICGCRHDVUAI-UHFFFAOYSA-N	307.390	4.166	70	20	DIID	
O=C(c1cscn1)N1CCCC[C@H]1CCCc1ccccc1	161249341	RUGUCPNRMDGKSM-INIZCTEOSA-N	314.454	4.161	70	20	DIID	
C[C@H](Nc1ccc2ccccc2c1)C(=O)NCc1ccccc1F	218731250	FYOOIOVYOTULKD-AWEZNQCLSA-N	322.383	4.096	70	20	DIID	
CCCCn1ncc(NC(=O)N[C@@H](CC)c2cccs2)c1C	159894674	XJSZKAOYFGMJDM-ZDUSSCGKSA-N	320.462	4.326	70	20	DIID	
C[C@@H](CC(=O)N(CC1CC1)C1CCCCC1)c1ccncc1	160390587	VPVYYUSOWDMJOR-HNNXBMFYSA-N	300.446	4.147	70	20	DIID	
CC[C@@H](NC(=O)C[C@@H](C)c1ccccc1)c1c(C)noc1C	160578627	QKIVUSPAEFMHLE-MLGOLLRUSA-N	300.402	4.053	70	20	DIID	
C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@H]1CCCCO1	160905164	OESADZVJGJSYPW-QMTHXVAHSA-N	316.228	4.082	70	20	DIID	
Cc1cc(C(=O)N2CCCc3cc(F)cc(F)c32)ccc1F	216835024	HOSHZKJNZXQYIV-UHFFFAOYSA-N	305.299	4.005	70	20	DIID	
O=C(Nc1ccncc1)N(Cc1ccccc1)Cc1ccccc1	217309325	QFEDUEVLMJSSQS-UHFFFAOYSA-N	317.392	4.316	70	20	DIID	
C[C@H]1C[C@@H](C)CCN(C(=O)Nc2cccc(OC(F)F)c2)C1	159895044	HKRMSDCWTSNZMU-RYUDHWBXSA-N	312.360	4.188	70	20	DIID	
CC1(C)CCCN(C(=O)C23C[C@H]4C[C@@H](CC(F)(C4)C2)C3)CC1	160046709	RYLRLYUXWMKATI-QAQJPARQSA-N	307.453	4.334	70	20	DIID	
C[C@@H](NCc1ccc2c(c1)OCO2)c1ccc2ccccc2c1	216659986	YTBCRLYAOWVFSJ-CQSZACIVSA-N	305.377	4.419	70	20	DIID	
Cc1ccc(OC(F)F)c([C@H](C)N[C@@H]2CCCSC2)c1	159551339	OHNSSWUEZNVAQW-NWDGAFQWSA-N	301.402	4.143	70	20	DIID	
Cc1cccc([C@@H](C)C(=O)NCc2ncc(-c3ccccc3)o2)c1	159777102	BZDLEQLHZXMIRM-OAHLLOKOSA-N	320.392	4.070	70	20	DIID	
CCN(C(=O)C[C@H](C)SC)[C@@H](C)c1cc2ccccc2o1	160950176	QSOYXOANSJZGAN-STQMWFEESA-N	305.443	4.484	70	20	DIID	
Cc1ccc(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)cc1Cl	160980196	RKMBUQVPQJHLNC-OAHLLOKOSA-N	321.848	4.260	70	20	DIID	
O=C(CCc1ccc(Cl)s1)N1CCc2c(F)cccc2C1	161006551	PEKPFYVIUVLWAT-UHFFFAOYSA-N	323.820	4.058	70	20	DIID	
FC(F)(F)c1ccccc1Cn1nc(C2CC2)nc1C1CC1	161427040	ASSJDLWLSBWERB-UHFFFAOYSA-N	307.319	4.100	70	20	DIID	
C[C@@H]1C[C@H](CC(=O)NC(C)(C)c2nccs2)CC(C)(C)C1	217221631	KCZQLTOWCYROAY-CHWSQXEVSA-N	308.491	4.347	70	20	DIID	
Cc1cc(C)c(NC(=O)NCCOc2ccccc2)c(Cl)c1	217303672	XBRCXAHTGCGJMZ-UHFFFAOYSA-N	318.804	4.157	70	20	DIID	
CC1(C)C[C@@H](NC(=O)Nc2ccc(C(C)(C)C)cc2)CCO1	160727130	SESCTASWLKEYKA-HNNXBMFYSA-N	304.434	4.063	70	20	DIID	
CCc1ccc([C@H](C)NC(=O)[C@H](C)Sc2ccncc2)cc1	159961463	PJWXZOGXVXPVRC-KBPBESRZSA-N	314.454	4.002	70	20	DIID	
COCc1ccc([C@@H]2CCCN2C(=O)CCC2CCCCC2)o1	161284995	MFDIYIJOVBVYQY-KRWDZBQOSA-N	319.445	4.450	70	20	DIID	
Cc1cccc([C@H](C)NC2CCN([C@H](C)c3ccncc3)CC2)c1	159885417	KTDVPJSIBKLMJQ-ZWKOTPCHSA-N	323.484	4.266	70	20	DIID	
CC(C)(Cc1ccccc1Cl)NC(=O)c1ccc(Cl)nc1	216806426	JPISRCIPLBEXKK-UHFFFAOYSA-N	323.223	4.140	70	20	DIID	
Cc1c(F)cccc1NC1CCC(NC(=O)OC(C)(C)C)CC1	218103957	YEJXDOHCEUYBKI-UHFFFAOYSA-N	322.424	4.382	70	20	DIID	
Cc1ccc([C@@H](C)NCc2ccc(N3CCC(C)CC3)nc2)cc1	160509528	HNSNCDYYVORSCB-GOSISDBHSA-N	323.484	4.477	70	20	DIID	
C[C@@H](NCc1nnc(-c2ccccc2)s1)c1ccccc1F	160730248	BRXSPVSXEIOEQU-GFCCVEGCSA-N	313.401	4.195	70	20	DIID	
CCCCC[C@@H](C)NC(=O)CN[C@H](C)c1cc2ccccc2o1	216699184	CIDHCMQWOPTMOA-HUUCEWRRSA-N	316.445	4.168	70	20	DIID	
CC[C@H](N[C@H](C)C(=O)N1CCC(C)CC1)c1ccc(Cl)cc1	218034449	KJJNSWQNLGEGOH-PBHICJAKSA-N	322.880	4.028	70	20	DIID	
Cc1cccc([C@H]2CCCN2Cc2nc3ccc(F)cc3o2)n1	160368300	DJRPXHSPPDPSIJ-MRXNPFEDSA-N	311.360	4.007	70	20	DIID	
Cc1nc(C(C)C)sc1[C@H](C)N[C@H]1CCC[C@H](N(C)C)C1	161028301	KNOYUVLQHJDDDB-QEJZJMRPSA-N	309.523	4.098	70	20	DIID	
Cc1cc(NC(=O)CC2CCCCC2)n(-c2ccc(F)cc2)n1	217349554	WFZAGQHOFBPOJO-UHFFFAOYSA-N	315.392	4.229	70	20	DIID	
COc1cccc(CCNC(=O)Nc2ccc(Cl)cc2C)c1	217424396	MNRUWQDSQTVMRB-UHFFFAOYSA-N	318.804	4.021	70	20	DIID	
CC[C@@H](NC(=O)Nc1cccc(Cl)c1Cl)[C@@H]1CCCO1	159377102	DNURUDOTVXXPFP-PWSUYJOCSA-N	317.216	4.073	70	20	DIID	
C[C@H](C(=O)NCCCc1c[nH]c2ccccc12)c1cccs1	159419024	UKDXWQKIGMVVDT-ZDUSSCGKSA-N	312.438	4.082	70	20	DIID	
C[C@H](C1CC1)N(Cc1ccccc1)C(=O)c1cccc2[nH]cnc12	159466580	HMPATLQYPCKAMV-CQSZACIVSA-N	319.408	4.004	70	20	DIID	
Cc1ccccc1NC(=O)N[C@H](C[C@H]1CCOC1)c1ccccc1	159722751	YTJMJNUIUAGBGZ-VQIMIIECSA-N	324.424	4.284	70	20	DIID	
C[C@H](Nc1ccccc1O[C@@H]1CCOC1)c1c(F)cccc1F	159908494	DQCWAHNLKSREAY-QWHCGFSZSA-N	319.351	4.306	70	20	DIID	
Clc1cc(Cl)c2nc(CSc3ccncc3)cn2c1	159916460	OTTZNCTZZAFORD-UHFFFAOYSA-N	310.209	4.328	70	20	DIID	
CC(C)c1ccc(C(=O)N(Cc2ccc(F)cc2)C2CC2)cn1	160221049	VCOWLYLYGUMJSI-UHFFFAOYSA-N	312.388	4.149	70	20	DIID	
COc1ccc([C@H](C)NCCCCc2nc(C)cs2)cc1F	160658565	AOCIBJDHVFFMLQ-ZDUSSCGKSA-N	322.449	4.273	70	20	DIID	
Cc1cccc(Oc2ccccc2NC(=O)c2cc(C)ncn2)c1	161212215	HVESGCAGOQRJLH-UHFFFAOYSA-N	319.364	4.138	70	20	DIID	
Cc1ccc(CCNC(=O)N(C)[C@H](C)c2ccc(C)cc2)cc1	217225398	NMSLRDGNKISLHC-QGZVFWFLSA-N	310.441	4.249	70	20	DIID	
Cc1nc(COc2ccc(N[C@H](C)c3ccccc3C)cc2)no1	159493323	PNEJTYXWKVQBNX-CQSZACIVSA-N	323.396	4.439	70	20	DIID	
CC1=C(C(=O)Nc2ccc(-c3csc(C)n3)cc2)CCCO1	160322173	BDVXYUKSJQHTEQ-UHFFFAOYSA-N	314.410	4.141	70	20	DIID	
CC[C@H](NCC1(c2ccc(Cl)cc2)CCOCC1)C1CC1	160903360	AJNYMRRWQOFRAD-KRWDZBQOSA-N	307.865	4.166	70	20	DIID	
Cc1ccc(OCCCNC(=O)Nc2ccc(C)cc2C)cc1	217297823	CLGILOKOPVUSDJ-UHFFFAOYSA-N	312.413	4.202	70	20	DIID	
C[C@H]1C[C@@H](C)CN(C(=O)Nc2ccc(C(F)(F)F)cc2)C1	217312893	OIFMVWSHOPSCKB-PHIMTYICSA-N	300.324	4.215	70	20	DIID	
C[C@H]1CSc2ccccc2N(C(=O)c2cccc(F)c2F)C1	159634546	DJJHTHWTXZNHIM-LLVKDONJSA-N	319.376	4.353	70	20	DIID	
O=C(CCc1ccc(F)cc1)N[C@@H]1CCCc2sccc21	159797490	MECVGVNWQWOWKY-OAHLLOKOSA-N	303.402	4.014	70	20	DIID	
Cc1ccc(-c2cncc(C(=O)Nc3cc(C)ccn3)c2)cc1	159873785	YAGSQRKIKBPEAT-UHFFFAOYSA-N	303.365	4.013	70	20	DIID	
COCC1CCN(C(=O)C[C@@H](C)c2ccc(C(C)C)cc2)CC1	159957961	XKWWBWNIQPGEQC-MRXNPFEDSA-N	317.473	4.189	70	20	DIID	
C[C@H](NCCc1csc(-c2ccccc2)n1)c1ccncc1	160384366	WHTDQEJJUKJXEE-AWEZNQCLSA-N	309.438	4.098	70	20	DIID	
FC(F)(F)c1ccc(N[C@H]2CCO[C@@H](c3ccccc3)C2)nc1	160550975	REHWZYOFTNWOPV-LSDHHAIUSA-N	322.330	4.433	70	20	DIID	
CC(C)Oc1ccc(NC(=O)N2CC[C@@H](C)[C@@H](C)C2)c(F)c1	160647943	MIYKGYGLJLIVDX-OLZOCXBDSA-N	308.397	4.123	70	20	DIID	
Cc1ccc(C)c([C@@H](C)NCc2cccc(Cn3cccn3)c2)c1	160804762	XBLLCRULZFVMLD-GOSISDBHSA-N	319.452	4.399	70	20	DIID	
Clc1cccc(OCCCn2nc(C3CC3)nc2C2CC2)c1	161506471	BTDJSWFTKCDBCN-UHFFFAOYSA-N	317.820	4.155	70	20	DIID	
C[C@H](c1cccc(Cl)c1)N(C)C[C@@](C)(O)c1ccccc1	217825514	QXRUZQMPEXVCSJ-RDTXWAMCSA-N	303.833	4.241	70	20	DIID	
C[C@H](Oc1ccccc1)C(=O)Nc1scnc1-c1ccccc1	161439182	KCTGABVOKQBDJL-ZDUSSCGKSA-N	324.405	4.216	70	20	DIID	
CC(C)CC(=O)Nc1ccc(-c2nc3ccccc3s2)cn1	216713212	SNUQRIYQHFNQGM-UHFFFAOYSA-N	311.410	4.343	70	20	DIID	
Clc1cc2c(cc1NCc1cccc3cc[nH]c13)OCO2	218127578	KNJBNQQCBRZPDF-UHFFFAOYSA-N	300.745	4.162	70	20	DIID	
CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)NCc2ccc(Cl)cc2)C1	217315315	JZBOTSNEZIKMGG-MAUKXSAKSA-N	320.864	4.450	70	20	DIID	
CC1CCN(c2cccc(NC(=O)N3CCC[C@@H](C)C3)c2)CC1	159686856	GGPAPNCZSXNFAN-MRXNPFEDSA-N	315.461	4.187	70	20	DIID	
CC(=O)c1c(C)[nH]c(C(=O)N[C@@H]2CC[C@@H](C)c3ccccc32)c1C	159763481	DOHDRIJWYZQAQM-PIGZYNQJSA-N	324.424	4.203	70	20	DIID	
Cc1ccsc1[C@H]1C[C@H]1C(=O)NCC1(c2ccccc2)CC1	160212630	LVWAYPVYJKPINB-JKSUJKDBSA-N	311.450	4.008	70	20	DIID	
Cc1ccccc1CN(C)Cc1ccc(Oc2cnccn2)cc1	160528043	XTSBNOXIHJJVBY-UHFFFAOYSA-N	319.408	4.209	70	20	DIID	
C[C@@H](NC[C@@H](Cc1ccccc1)c1ccccc1)c1cnn(C)c1	161244957	OUTPIVDLKLRHTG-YLJYHZDGSA-N	319.452	4.097	70	20	DIID	
CCCC(C)(C)NC(=O)Nc1cc(Cl)c(OC)cc1OC	217224474	VFPRJSZMXWORMW-UHFFFAOYSA-N	314.813	4.057	70	20	DIID	
CC(C)Oc1c(Cl)cccc1NC(=O)CCCn1cccc1	159598240	ZNBPUTJTKCKZCG-UHFFFAOYSA-N	320.820	4.348	70	20	DIID	
CSc1ccc(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)cc1	160495121	MPPQGVADIOZCDV-OAHLLOKOSA-N	319.470	4.020	70	20	DIID	
CCCN(CC1CC1)C(=O)c1cncc(-c2ccc(OC)cc2)c1	160828950	XVFHLWDBWBOLPK-UHFFFAOYSA-N	324.424	4.019	70	20	DIID	
C[C@@H](NC1CCN(C)CC1)c1ccc(-c2ccc(F)cc2)s1	161484002	UOUVZFRFFSHDHX-CYBMUJFWSA-N	318.461	4.299	70	20	DIID	
CC[C@@H](NC1CCN([C@H](C)c2ccncc2)CC1)c1ccccc1	159884146	DVEYJTXQUVHFOM-DYESRHJHSA-N	323.484	4.348	70	20	DIID	
CC(C)c1ccc(C(=O)N(C)c2nc3ccccc3s2)cn1	160589319	PGHMBKTUTRFKPG-UHFFFAOYSA-N	311.410	4.091	70	20	DIID	
Fc1cccc(CCN(Cc2ccnc(Cl)c2)C2CC2)c1	217189202	JSWCGWQJBVVIPZ-UHFFFAOYSA-N	304.796	4.081	70	20	DIID	
Cc1cccc([C@@H]2CCCN2Cc2nc(C(C)(C)C)cs2)n1	159771192	TWWFRHFANBFECS-HNNXBMFYSA-N	315.486	4.481	70	20	DIID	
C[C@@H](NCCSc1ccc(Cl)cc1)c1cncc(F)c1	160080786	KQLLAERLMLRGDK-LLVKDONJSA-N	310.825	4.317	70	20	DIID	
Cc1cc(C)c(NC(=O)c2cncc(-c3ccccc3)c2)c(C)n1	160788167	LQJMEPXYFDBVRU-UHFFFAOYSA-N	317.392	4.321	70	20	DIID	
COc1ccc2c(c1)[C@@H](NCc1ccc(C)s1)CCCO2	160905597	OLDVUAFFRHFUKT-INIZCTEOSA-N	303.427	4.069	70	20	DIID	
Cc1ccc(NC(=O)c2ccc(-c3cccs3)nc2C)c(O)c1	216875798	XXTRTFXNFOVRCS-UHFFFAOYSA-N	324.405	4.385	70	20	DIID	
Cc1cccc([C@@H](C)NC(=O)Nc2ccccc2N(C)C)c1C	217216118	SKGAKZFTCVIHBH-OAHLLOKOSA-N	311.429	4.252	70	20	DIID	
CC[C@@H](C)C[C@@H](C)NC1CCC(NC(=O)OC(C)(C)C)CC1	218112736	OZOCNCFVNBSWRB-WXLSXGNJSA-N	312.498	4.237	70	20	DIID	
CCC(CC)n1nccc1C(=O)Nc1cccc(Cl)c1C	161060575	YGGLLNBLMQPGRZ-UHFFFAOYSA-N	305.809	4.458	70	20	DIID	
O=C(N[C@@H]1CCCc2sccc21)[C@@H]1C[C@@H]1c1ccc(F)cc1	160176581	UEJPRZPONQCVOC-BZUAXINKSA-N	315.413	4.185	70	20	DIID	
Cc1noc(Cl)c1CC(=O)N[C@H](c1ccccc1)C(C)(C)C	160594618	BFQPUMUZDGQOGZ-OAHLLOKOSA-N	320.820	4.083	70	20	DIID	
CC[C@@H](N[C@@H](C)C(=O)Nc1ccccc1)c1ccc(F)cc1F	160908268	BYESHYHVJVQEDY-YVEFUNNKSA-N	318.367	4.033	70	20	DIID	
CC(C)c1ccc(C(=O)Nc2ccccc2N2CCCC2)cn1	160034016	SRPLMVPXGUSFGA-UHFFFAOYSA-N	309.413	4.058	70	20	DIID	
CCOc1cc(F)ccc1NCc1noc(C2CCCCC2)n1	161271339	YKXPDLKAVWUUGB-UHFFFAOYSA-N	319.380	4.267	70	20	DIID	
CCCCn1ncc(C(=O)N[C@H](C)c2ccccc2Cl)c1C	159929367	HWHXYDLWPOFKAS-GFCCVEGCSA-N	319.836	4.136	70	20	DIID	
CCC[C@H](C(=O)N(C)c1ccc(-c2ccccc2)nn1)C(C)C	160618822	BXGHRCUKICQSOM-INIZCTEOSA-N	311.429	4.179	70	20	DIID	
Clc1ccc(SCCN(Cc2cccnc2)C2CC2)cc1	216711416	XKKNNSQDCGMHLR-UHFFFAOYSA-N	318.873	4.492	70	20	DIID	
CC(=O)c1ccccc1OCCN(C)[C@H](C)c1ccc(F)cc1	216903652	JNMZCELHKYXRKF-CQSZACIVSA-N	315.388	4.100	70	20	DIID	
CCc1ccc(NC(=O)NCCc2cccc(Cl)c2)cc1	217459412	MFMYGRRCBZNMHP-UHFFFAOYSA-N	302.805	4.267	70	20	DIID	
CC[C@H](C(=O)NC1CCC(OC(C)C)CC1)c1ccccc1	159533571	SMOTXHHQNHBFFL-ABHNRTSZSA-N	303.446	4.033	70	20	DIID	
O=C(NCC1(C2CC2)CC1)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1	159681808	VERLUUZXXZLVMR-HUUCEWRRSA-N	323.358	4.115	70	20	DIID	
C[C@@H](CC1CCCCC1)C(=O)N[C@H]1CCOC2(CCCC2)C1	160135281	FYYDIIKZDNUIBA-RDJZCZTQSA-N	307.478	4.201	70	20	DIID	
CCOc1cc(F)ccc1NC(=O)N1CC[C@@H]2CCCC[C@@H]21	160710023	MVZLOWOMINPMFY-WFASDCNBSA-N	306.381	4.021	70	20	DIID	
CC[C@H]1CCCC[C@@H]1N(C)C(=O)c1occc1Br	161199901	VDMBBILMQJZJOQ-JQWIXIFHSA-N	314.223	4.083	70	20	DIID	
CN(C)C(=O)c1ccc(Oc2cccc(Cl)c2Cl)cc1	159814076	WGPZZPNCPLSWJP-UHFFFAOYSA-N	310.180	4.488	70	20	DIID	
CC1CCC(N(C)C(=O)c2cncc(-c3ccccc3)c2)CC1	159998463	NNDQEFFEISWXJA-UHFFFAOYSA-N	308.425	4.399	70	20	DIID	
Cc1cccc2c(CC(=O)N[C@H]3CCCc4sccc43)c[nH]c12	160088886	YIZQLXMEHXEFCJ-INIZCTEOSA-N	324.449	4.274	70	20	DIID	
O=C(N[C@H]1CCCc2sccc21)c1ccc(F)cc1Cl	160243702	ZJQQGMAUPUXOOG-ZDUSSCGKSA-N	309.793	4.348	70	20	DIID	
CCc1nc(CN[C@H](C)c2ccc(Oc3ccccc3)cc2)n[nH]1	160403170	IPNQKKUGFIWAMC-CQSZACIVSA-N	322.412	4.010	70	20	DIID	
CCC(CC)n1nccc1C(=O)N(C)Cc1cccc(Cl)c1	160543118	JIMFLOVERNJTLJ-UHFFFAOYSA-N	319.836	4.170	70	20	DIID	
CC(C)c1ccc(C(=O)N[C@H]2CCOC3(CCCCC3)C2)cc1	160563170	CMMCUAVCURHPBS-SFHVURJKSA-N	315.457	4.422	70	20	DIID	
O=C(Nc1cccc(Br)c1)N1CC[C@@H]2CCCC[C@@H]21	160572373	NGTZUZUBKFSQLA-FZMZJTMJSA-N	323.234	4.246	70	20	DIID	
Cc1ccc(C)c([C@H](C)NCc2cccc(Cn3cccn3)c2)c1	160804859	XBLLCRULZFVMLD-SFHVURJKSA-N	319.452	4.399	70	20	DIID	
CCc1ccccc1NC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1	161110380	GWZLQMRJCSYOSA-HKUYNNGSSA-N	324.424	4.291	70	20	DIID	
C[C@H]1Sc2ccccc2N(Cc2nccn2C(F)F)[C@@H]1C	161216614	RSXQTULLVIJOPV-GHMZBOCLSA-N	309.385	4.168	70	20	DIID	
CCS[C@H]1CCC[C@H](N[C@@H](C)c2cccc(NC(C)=O)c2)C1	159364387	BSLMTAWJZGCTRV-KKXDTOCCSA-N	320.502	4.360	70	20	DIID	
Cc1ccccc1[C@H](C)Nc1cc(F)cc(N2CCOCC2)c1	159366479	SUMTUJYJOTUEAH-HNNXBMFYSA-N	314.404	4.144	70	20	DIID	
CCCC(O)(CCC)CC(=O)N(C)[C@H](C)c1ccccc1F	159392145	ZGTVUHDNUSHYFP-CQSZACIVSA-N	309.425	4.067	70	20	DIID	
Cc1ccsc1[C@H](Cc1ccccc1)NCCC(C)(C)O	159678378	ZLBJWOGTCKDEHK-INIZCTEOSA-N	303.471	4.091	70	20	DIID	
Cc1noc(C)c1CCSCc1nc(C(F)(F)F)cs1	160160797	LZZWPAGVVGZTQH-UHFFFAOYSA-N	322.377	4.243	70	20	DIID	
COCc1ccc([C@H]2CCCN2C(=O)[C@@H](C)CC2CCCC2)o1	161303913	HZQABEDBFUMKCK-WMLDXEAASA-N	319.445	4.306	70	20	DIID	
C[C@H]1CC[C@@H](C)N1C(=O)COc1ccccc1-c1ccccc1	161404260	PBLDVFSWCPMCGP-IYBDPMFKSA-N	309.409	4.132	70	20	DIID	
COc1cccc(Cl)c1C(=O)N[C@H]1CCCc2sccc21	160040255	NGZNTIVPSOQJTH-LBPRGKRZSA-N	321.829	4.218	70	20	DIID	
COc1ccc(N(C)C(=O)c2cc3ccccc3[nH]2)cc1Cl	160254293	XZMUIYNNRVPBNW-UHFFFAOYSA-N	314.772	4.107	70	20	DIID	
COc1ccccc1CN(C)Cc1cnc(C(C)(C)C)s1	160421849	YPRPPHKTTFWUDG-UHFFFAOYSA-N	304.459	4.081	70	20	DIID	
Cc1ccccc1NC(=O)[C@H](C)SCCN(C(C)C)C(C)C	160954413	SOHKFUKYZODPMP-INIZCTEOSA-N	322.518	4.174	70	20	DIID	
CCC(=O)Nc1cccc(C(=O)N(C)[C@@H]2CCCC[C@H]2CC)c1	161290751	SLJJEDMNEKAXHU-RHSMWYFYSA-N	316.445	4.076	70	20	DIID	
CC[C@H](S[C@@H](C)C(=O)Nc1cc(C)no1)c1ccc(F)cc1	161340073	VMNQIIYOYMLAIJ-FZMZJTMJSA-N	322.405	4.334	70	20	DIID	
CO[C@H](CNC(=O)c1cc(C)ccc1C)c1ccccc1Cl	218312210	HFVLCGQXQDUZEE-QGZVFWFLSA-N	317.816	4.074	70	20	DIID	
Cc1ccccc1NC(=O)N[C@H](C[C@@H]1CCOC1)c1ccccc1	159722470	YTJMJNUIUAGBGZ-QFBILLFUSA-N	324.424	4.284	70	20	DIID	
O=C(Nc1cc(F)ccc1Cl)N1CCc2cccc(F)c2C1	160490685	XAZIWZWFQATUMK-UHFFFAOYSA-N	322.742	4.208	70	20	DIID	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)N(Cc1cccs1)C1CC1	160953528	WLYGIGWZRUIWBS-HUUCEWRRSA-N	317.479	4.413	70	20	DIID	
COc1ccccc1NC(=O)N1CCC(C)(c2ccccc2)CC1	159729955	IBKUNXGQRSCSQI-UHFFFAOYSA-N	324.424	4.281	70	20	DIID	
COc1ccc(N(C)C(=O)c2cc(C)ccc2F)cc1Cl	160213284	RJNAQKKNGSLQIA-UHFFFAOYSA-N	307.752	4.073	70	20	DIID	
Cc1ccc(-c2ncc(CN[C@@H]3CCOC(C)(C)C3)s2)cc1	160499361	ZKIFMSIQGCFYQK-OAHLLOKOSA-N	316.470	4.166	70	20	DIID	
Cc1ccc(C(=O)NC2CC2)cc1NCc1ccc([C@H]2C[C@@H]2C)o1	160248864	ADFBHXQECLIYRJ-GUYCJALGSA-N	324.424	4.216	70	20	DIID	
COc1ccc([C@@H](C)NCCCCc2nc(C)cs2)cc1F	160658684	AOCIBJDHVFFMLQ-CYBMUJFWSA-N	322.449	4.273	70	20	DIID	
Cc1ccc(C(=O)N(C)C)cc1NCc1coc2ccccc12	159807891	RSWHTOGZWBWXKD-UHFFFAOYSA-N	308.381	4.055	70	20	DIID	
COc1ccc(N(C)C(=O)c2cc(C)c(C)s2)cc1Cl	160102094	DCJHZXIOJUAVSD-UHFFFAOYSA-N	309.818	4.304	70	20	DIID	
Cc1cccc(C)c1OCCCNC(=O)Nc1ccc(F)cc1	217298145	DCSGTFFOXBUQAD-UHFFFAOYSA-N	316.376	4.033	70	20	DIID	
CCCC(CCC)C(=O)NC[C@@H](OC)c1ccccc1Cl	218311826	WVGZOJDAFSYFNC-MRXNPFEDSA-N	311.853	4.360	70	20	DIID	
CC(C)c1cccc(NC(=O)c2csc([C@@H]3CCCO3)n2)c1	159402480	WRBOBAQFJMSRBS-HNNXBMFYSA-N	316.426	4.370	70	20	DIID	
Cc1cccc([C@H](C)C(=O)Nc2ccc(-c3cc[nH]n3)cc2)c1	159519710	MLXRTKHDCUERJP-AWEZNQCLSA-N	305.381	4.127	70	20	DIID	
O=C(N[C@@H]1CCCc2sccc21)c1c(F)cccc1Cl	159801312	MMJYUDXKBBLJHU-GFCCVEGCSA-N	309.793	4.348	70	20	DIID	
C[C@H](NC(=O)C[C@@H](C)c1ccncc1)c1ccc(F)cc1Cl	160701493	LIBGDHXAGHPTIK-NEPJUHHUSA-N	320.795	4.245	70	20	DIID	
Cc1cccc([C@H](C)N[C@H](CN2CCCC2=O)c2ccccc2)c1	160778010	JRROUGQXKKVISR-FXAWDEMLSA-N	322.452	4.009	70	20	DIID	
CC1(C)CN(C(=O)c2ccnc3ccccc23)c2ccccc2O1	160813291	VRXNOVNYJSAFHB-UHFFFAOYSA-N	318.376	4.053	70	20	DIID	
CCC(CC)n1nccc1C(=O)Nc1ccc(Cl)cc1F	161311821	LOVCALNJFWWEOF-UHFFFAOYSA-N	309.772	4.289	70	20	DIID	
C[C@@H]1CCCCN1C(=O)NC(c1ccccc1)c1ccccc1	217269796	CMXQOHWRUWIUCD-MRXNPFEDSA-N	308.425	4.360	70	20	DIID	
C[C@H]1CCC[C@H](OCCCCCC(=O)Nc2cccc(O)c2)C1	159960900	FIYCLGVPCGZINL-YJBOKZPZSA-N	319.445	4.486	70	20	DIID	
CC[C@H](NC(=O)CCc1ccccc1Cl)c1c(C)noc1C	160328796	SKJIHJGFRFQONA-HNNXBMFYSA-N	320.820	4.145	70	20	DIID	
CC(C)c1ccc(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)cc1	160563047	CMMCUAVCURHPBS-GOSISDBHSA-N	315.457	4.422	70	20	DIID	
CC(C)(C)OC(=O)NCCN[C@H](c1cccs1)C1CCCC1	218122487	YGYDMGVCHPTTJM-HNNXBMFYSA-N	324.490	4.094	70	20	DIID	
CC(C)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C(F)(F)F)cn1	160637580	JADDQLCZAUXTKP-GXTWGEPZSA-N	314.351	4.056	70	20	DIID	
CS[C@@H](C)CC(=O)Nc1ccc(C)cc1OCC(F)(F)F	160968101	HYUQOLBCBDXPPK-JTQLQIEISA-N	321.364	4.016	70	20	DIID	
CCc1ncsc1NC(=O)[C@H](C)Cc1ccccc1Cl	161028290	PJUBSNFDFZCTOF-SNVBAGLBSA-N	308.834	4.176	70	20	DIID	
C[C@H](NC1CCN(C)CC1)c1ccc(-c2ccccc2F)s1	161432551	PZFOSORZBIHHFI-ZDUSSCGKSA-N	318.461	4.299	70	20	DIID	
CCCCN(CCCC)C(=O)NCCc1ccccc1Cl	217366987	COUANVRMBBGKMQ-UHFFFAOYSA-N	310.869	4.494	70	20	DIID	
CCCC(O)(CCC)CC(=O)N(C)[C@@H](C)c1ccccc1F	159392014	ZGTVUHDNUSHYFP-AWEZNQCLSA-N	309.425	4.067	70	20	DIID	
Cc1nccc(NC(=O)N[C@H]2CCCc3sccc32)c1Cl	159562822	REQSYWDDAQZSMU-NSHDSACASA-N	321.833	4.304	70	20	DIID	
Cc1cc(F)c(C(=O)N2CCC[C@@H]2c2cccs2)cc1F	159768534	CUZCILFNXREPQJ-CQSZACIVSA-N	307.365	4.312	70	20	DIID	
Fc1ccc2oc(N[C@@H]3CCO[C@@H](c4ccccc4)C3)nc2c1	160586529	MMDXHSXFXLKQDJ-RHSMWYFYSA-N	312.344	4.299	70	20	DIID	
CC[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1c(C)noc1C	160622615	RNCKAVXFRZRBJF-INIZCTEOSA-N	314.429	4.470	70	20	DIID	
Cc1cc(N[C@@H](C)c2cccnc2)ccc1OC1CCOCC1	161264854	ANLYWVCOXXIHMR-HNNXBMFYSA-N	312.413	4.121	70	20	DIID	
CCOc1ccc(CNC(=O)Nc2c(C)cc(C)cc2C)cc1	217300802	XYMQDTIKIOYUNO-UHFFFAOYSA-N	312.413	4.332	70	20	DIID	
Cc1ccccc1CCNC(=O)Nc1cccc(Cl)c1C	217315608	JYVBOJCDYRONBE-UHFFFAOYSA-N	302.805	4.321	70	20	DIID	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1cccc2ncccc12	159395443	XSLZEJHBKATEDR-KBPBESRZSA-N	308.406	4.347	70	20	DIID	
CC(C)c1ccc(C(=O)N(C)Cc2ccc(Cl)s2)cn1	160048942	WPNDGWQEZRWBEX-UHFFFAOYSA-N	308.834	4.192	70	20	DIID	
CC(C)c1ccc(C(=O)N(Cc2ccccc2F)C2CC2)cn1	160183060	XNAPOLVCXMUDPL-UHFFFAOYSA-N	312.388	4.149	70	20	DIID	
CC1(C)CCC(C(=O)NC2(c3nccs3)CCCC2)CC1	160459918	VALFSROVKXIDCJ-UHFFFAOYSA-N	306.475	4.245	70	20	DIID	
CC1(C)C[C@@H](NC(=O)Nc2cc(Cl)cc(Cl)c2)CCO1	160744631	YCLGDBVZUYCPDJ-NSHDSACASA-N	317.216	4.073	70	20	DIID	
Cc1cc(C(=O)CSCc2ccccc2Cl)c(C)n1C	217707974	MHGWMLWJIGTTHS-UHFFFAOYSA-N	307.846	4.411	70	20	DIID	
CN(CCC1CC1)C(=O)Nc1cc(-c2ccccc2)ns1	159386305	VFHAHNGDDZJVFF-UHFFFAOYSA-N	301.415	4.074	70	20	DIID	
Cc1cccc(NC(=O)N[C@H](C[C@@H]2CCOC2)c2ccccc2)c1	159718129	KNWVCFGVRIIFDO-QFBILLFUSA-N	324.424	4.284	70	20	DIID	
Cc1ccccc1[C@H](C)NCCc1nc(C(F)(F)F)cs1	159731896	UKSIBSINZFPMOF-NSHDSACASA-N	314.376	4.364	70	20	DIID	
CCC(CC)CC(=O)N[C@@H](c1cccc(C)c1)c1ccccn1	159831609	WNVWSXIBABYENH-FQEVSTJZSA-N	310.441	4.422	70	20	DIID	
CCc1noc(C)c1CS[C@@H](C)C(=O)Nc1ccccc1C	159977032	WXYFTYIMKIEYFE-ZDUSSCGKSA-N	318.442	4.114	70	20	DIID	
CCCCOc1ccccc1NC(=O)C[C@@H](C)c1ccncc1	160182982	JNAILZBKYUPPJS-OAHLLOKOSA-N	312.413	4.393	70	20	DIID	
C[C@H]1CN(C)CC[C@@H]1NCC1(Sc2ccccc2)CCCC1	160352944	DVMIANAHCMIFMV-WMZOPIPTSA-N	318.530	4.021	70	20	DIID	
CC(C)CCN(CCC(C)C)C(=O)N[C@H]1CCO[C@H](C2CC2)C1	160621949	TVSGIYLXSAIRER-ROUUACIJSA-N	324.509	4.048	70	20	DIID	
CC(C)CC[C@@H](C)NC(=O)NCc1csc(-c2ccco2)n1	160658372	OLOUCOFDRCUWIX-GFCCVEGCSA-N	321.446	4.027	70	20	DIID	
Cc1ccc(O)c(NC(=O)c2cc(C)ccc2Br)c1	159654626	PHXJJVUUVQHDQF-UHFFFAOYSA-N	320.186	4.024	70	20	DIID	
CC(C)c1ccsc1C(=O)N[C@@H]1CCOC2(CCCC2)C1	159897983	QIJGVSBZVHRTHH-CYBMUJFWSA-N	307.459	4.093	70	20	DIID	
O=C(N[C@@H]1CCOC2(CCCC2)C1)c1csc2ccccc12	159950822	QFKHMLSKCCJJLI-CYBMUJFWSA-N	315.438	4.123	70	20	DIID	
C[C@H](CC(=O)N1CCCc2cccc(Cl)c21)c1ccncc1	160343788	GZJYDIDEWLJLKK-CYBMUJFWSA-N	314.816	4.208	70	20	DIID	
CCOc1ccccc1NC(=O)[C@@H]1C[C@@H]1c1sccc1C	160358126	KVJPUOCLUZOXMD-QWHCGFSZSA-N	301.411	4.197	70	20	DIID	
CC1(C)C[C@H](NCc2ccc(-c3c(F)cccc3F)o2)CCO1	160499612	RRZORLINBGHBNB-GFCCVEGCSA-N	321.367	4.272	70	20	DIID	
CCOCc1ccc(NC(=O)[C@@H](CC)c2ccc(F)cc2)cc1	160626248	QJWSWPCJMNUUMA-SFHVURJKSA-N	315.388	4.495	70	20	DIID	
CC(C)C[C@H](N[C@@H](CCCO)c1ccccc1)c1ccccn1	160690990	LQZPJEKLKJDGPZ-ICSRJNTNSA-N	312.457	4.272	70	20	DIID	
Cc1cc(C)c(NC(=O)NCc2cccc(F)c2)c(Cl)c1	217314788	RLUFEULLUAPYMW-UHFFFAOYSA-N	306.768	4.418	70	20	DIID	
Cc1ccccc1[C@@H](C)NCc1cccc(OCC(F)F)c1	159416413	BIDHWZROEWBRKT-CQSZACIVSA-N	305.368	4.490	70	20	DIID	
Cc1ccc(C(=O)N[C@@H](c2cccc(C)c2)c2ccccn2)cc1	160189361	JKGNPPXSRYNSPQ-FQEVSTJZSA-N	316.404	4.218	70	20	DIID	
CCC[C@@H](C(=O)N[C@H]1CCOC2(CCCC2)C1)c1ccccc1	160202614	ZTLIROJFXKIPFN-ZWKOTPCHSA-N	315.457	4.178	70	20	DIID	
CS[C@H](C)C(=O)Nc1ccc(Oc2cccc(C)c2C)nc1	217209301	DOCKBFPAWKNQSR-CYBMUJFWSA-N	316.426	4.181	70	20	DIID	
C[C@H](c1ccccc1Cl)N(C)CC[C@@H](O)c1ccccc1	217844801	WCFJWRHDRWYUHS-RDTXWAMCSA-N	303.833	4.457	70	20	DIID	
Cc1ccc(CNc2ccc(NC(=O)OC(C)(C)C)cc2)nc1	159426352	COJYGCNYCASAHQ-UHFFFAOYSA-N	313.401	4.349	70	20	DIID	
C[C@@H](CC(=O)N1CCCc2cccc(Cl)c21)c1ccncc1	160343654	GZJYDIDEWLJLKK-ZDUSSCGKSA-N	314.816	4.208	70	20	DIID	
CC(C)n1nccc1C(=O)Nc1ccccc1Cc1ccccc1	160536479	YRQWHEVVTOJPNQ-UHFFFAOYSA-N	319.408	4.307	70	20	DIID	
C[C@@H](CC(=O)c1cccs1)NC(=O)C[C@@H](C)c1ccccc1	160740154	SUUHEOKAXYEZBG-KGLIPLIRSA-N	315.438	4.019	70	20	DIID	
CCN(CC)CCC[C@@H](C)NCc1cc(F)cc(Cl)c1	160803629	ZGIPRRQAHNTSSF-CYBMUJFWSA-N	300.849	4.079	70	20	DIID	
CCc1ccc(C(=O)N[C@H](C[C@H]2CCOC2)c2ccccc2)cc1	159485321	HOFYNBIVDWPTGR-YLJYHZDGSA-N	323.436	4.147	70	20	DIID	
CC[C@H](NC(=O)[C@H](CC)CC1CCCC1)c1c(C)noc1C	160033454	FUXQBVDIXYEIOL-CVEARBPZSA-N	306.450	4.465	70	20	DIID	
CC[C@H](Sc1nncc2ccccc12)C(=O)c1ccccc1	160229488	AGZDFVZICOHPDJ-INIZCTEOSA-N	308.406	4.383	70	20	DIID	
CCC(CC)n1nccc1C(=O)Nc1ccc(F)c(Cl)c1	161307742	VKJIYXAQWCEDLK-UHFFFAOYSA-N	309.772	4.289	70	20	DIID	
C[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1	161440920	VHKISQHZHICOMC-CHWSQXEVSA-N	318.417	4.047	70	20	DIID	
C[C@H]1CN(C(=O)Nc2cc(F)c(F)cc2F)[C@@H]1c1ccccc1	159741467	GLJBSALVOQUZNJ-QFYYESIMSA-N	320.314	4.329	70	20	DIID	
CN(Cc1ccc(OC(F)F)cc1)Cc1csc(C2CC2)n1	161285716	CDXACIANWOUBJC-UHFFFAOYSA-N	324.396	4.254	70	20	DIID	
Cc1cc(C[C@@H](C)NC(=O)CC2CCC(C(C)(C)C)CC2)n[nH]1	161454308	QQESLPAEQFLXDB-IUDNXUCKSA-N	319.493	4.008	70	20	DIID	
Cc1ccc(C(=O)NC2CC2)cc1NCc1ccc([C@@H]2C[C@H]2C)o1	160249008	ADFBHXQECLIYRJ-CXAGYDPISA-N	324.424	4.216	70	20	DIID	
CC[C@@H](NC(=O)C[C@@H]1CCCCC1(C)C)c1c(C)noc1C	160427464	BRMRABSROOKFTJ-LSDHHAIUSA-N	306.450	4.465	70	20	DIID	
CC[C@@H](C)N(C)CCNCc1ccc(SC(F)(F)F)cc1	217391721	QTKRYTILOLODTD-GFCCVEGCSA-N	320.424	4.118	70	20	DIID	
CCc1cccc(NC2CCC(NC(=O)OC(C)(C)C)CC2)c1	218091178	WDLZLWHYVHSXCD-UHFFFAOYSA-N	318.461	4.497	70	20	DIID	
CC[C@@H](NC(=O)Nc1ccccc1C(C)(C)C)[C@H]1CCCO1	159425800	ZREMZUSAWGGAAR-GDBMZVCRSA-N	304.434	4.063	70	20	DIID	
Cc1ccc(C(C)(C)C(=O)NCCc2cc3ccccc3[nH]2)cc1	159602826	RQJUMJDGAZBPKH-UHFFFAOYSA-N	320.436	4.113	70	20	DIID	
COc1ccc(N(C)C(=O)c2cc3ccccc3o2)cc1Cl	159952267	FWZZTVSIMRWLEF-UHFFFAOYSA-N	315.756	4.371	70	20	DIID	
C[C@H]1Cc2ccc(F)cc2[C@@H]1NC1CCN(C2CCCC2)CC1	160514734	WJBLILUIMZTVAA-VBKZILBWSA-N	316.464	4.056	70	20	DIID	
C[C@H]1CCC[C@H](OCCCCCC(=O)Nc2ccncc2)C1	160545065	XQGXZSRHCQLUFR-RDJZCZTQSA-N	304.434	4.176	70	20	DIID	
C[C@H]1Cc2ccccc2N1C(=O)NCc1ccc(Cl)cc1	217315333	ATUWFXXVFCANFE-LBPRGKRZSA-N	300.789	4.001	70	20	DIID	
CCNC(=O)c1cccc(CN[C@@H](CC)c2ccc(CC)cc2)c1	160179251	KCENKZLMFAQAAK-FQEVSTJZSA-N	324.468	4.240	70	20	DIID	
CC[C@@H](NC(=O)CCCc1ccc(C)s1)c1c(C)noc1C	160373249	MWQFTSVTPASHNM-OAHLLOKOSA-N	320.458	4.252	70	20	DIID	
CC[C@@H](C)OCC(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1	160513035	OXRISGGBUQTPAJ-SNVBAGLBSA-N	322.405	4.011	70	20	DIID	
C[C@@H](c1ccc(C(C)(C)C)cc1)N1CCC[C@@H](CCC(N)=O)C1	216662492	YPDFXYGFSIVEHX-HOTGVXAUSA-N	316.489	4.023	70	20	DIID	
Cc1nc2c(n1CC(=O)c1ccc(Cl)c(Cl)c1)CCCC2	216679343	QHXCVBDXKKBJTJ-UHFFFAOYSA-N	323.223	4.260	70	20	DIID	
CCCCn1ncc(NC(=O)N2[C@H]3CCCC[C@@H]3C[C@H]2C)c1C	159645768	LLEWITUAJQQDOA-UNEWFSDZSA-N	318.465	4.177	70	20	DIID	
C[C@H](N[C@@H](CCCO)c1ccccc1)c1cc(F)cc(F)c1	160805390	GVGXNJSAMUIOHB-UGSOOPFHSA-N	305.368	4.129	70	20	DIID	
Cc1cc(Cl)ccc1C(=O)NCc1nc(C(C)C)cs1	161441159	OQOGFRUZXMASAM-UHFFFAOYSA-N	308.834	4.158	70	20	DIID	
Cc1cccc(N[C@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)c1	218727888	PKUZAXXEEIISPV-LSDHHAIUSA-N	322.408	4.419	70	20	DIID	
CC(C)CCSCC(=O)Nc1cc(F)ccc1OC(F)F	159377266	IRGWDURFVYAVGA-UHFFFAOYSA-N	321.364	4.145	70	20	DIID	
Cc1nc(C(C)C)sc1[C@@H](C)NCc1cn2ccccc2n1	159407847	NNGNMFIEVLHZCG-GFCCVEGCSA-N	314.458	4.073	70	20	DIID	
CS[C@H](C)CC(=O)Nc1ccc(CN2CCCC[C@H]2C)cc1	159916628	YLJFGQHHGAEUEK-HUUCEWRRSA-N	320.502	4.141	70	20	DIID	
CCOc1ccccc1C[S@](=O)c1ncc(C(C)(C)C)s1	160494645	LNPPCWIYECDSLR-OAQYLSRUSA-N	323.483	4.147	70	20	DIID	
O=C(N[C@H]1CCOC2(CCCCC2)C1)c1ccc(Cl)s1	160564688	QAODTYZKSNTXPG-NSHDSACASA-N	313.850	4.013	70	20	DIID	
Cc1cc2cc(NC(=O)N3CCc4cccc(F)c4C3)ccc2[nH]1	160604328	GPLBTUZGEXWNBQ-UHFFFAOYSA-N	323.371	4.206	70	20	DIID	
C[C@@H]1CCC[C@H](CC(=O)N[C@@H]2CCOC3(CCCCC3)C2)C1	160914895	RPSRMNBOIHKNSP-IXDOHACOSA-N	307.478	4.201	70	20	DIID	
CS[C@H](C)C(=O)Nc1ccccc1Oc1cc(F)cc(F)c1	161433084	FLHRJZBLVFCMTG-SNVBAGLBSA-N	323.364	4.447	70	20	DIID	
CC[C@@H](NC(=O)CC(C)(C)c1ccccc1)c1c(C)noc1C	160024368	VJNUIDRNETXHGF-MRXNPFEDSA-N	314.429	4.227	70	20	DIID	
Cc1cccc([C@@H](C)NC(=O)C[C@H](C)c2c(C)n[nH]c2C)c1C	160091778	NCUUPNOEVFSCSA-GXTWGEPZSA-N	313.445	4.014	70	20	DIID	
FC(F)(F)c1cnc(N[C@H]2CCO[C@@H](C3CC3)C2)c(Cl)c1	160386177	NEWJRPNQUXMVER-CMPLNLGQSA-N	320.742	4.123	70	20	DIID	
CC(C)CCN(C(=O)c1cncc(-c2ccccc2)c1)C1CC1	161009192	GYFVWNYFSGRYSZ-UHFFFAOYSA-N	308.425	4.399	70	20	DIID	
Cc1ccc(NC(=O)NCCCOc2ccccc2C)cc1C	217300381	NPXSNCFDFZRICU-UHFFFAOYSA-N	312.413	4.202	70	20	DIID	
CC1CCN(c2cccc(N[C@@H](C)CCn3cccn3)c2)CC1	159469351	WRMXEMDPYNDVQU-KRWDZBQOSA-N	312.461	4.010	70	20	DIID	
CCCNC(=O)c1cccc(CN[C@H](C)c2ccc(C)c(C)c2)c1	160590748	NAMVMODIYSKUKF-QGZVFWFLSA-N	324.468	4.294	70	20	DIID	
Cc1csc(CCCCN[C@H]2CCCOc3ccccc32)n1	160687242	YYSFBXOGRWRQJK-INIZCTEOSA-N	316.470	4.278	70	20	DIID	
Cc1cc(C)c(Br)c(C(=O)Nc2ccc(C)nc2)c1	161274711	MRYGYPDUHKWTNQ-UHFFFAOYSA-N	319.202	4.022	70	20	DIID	
Cc1nc2ccc(NC(=O)c3cccc(C)c3F)cc2s1	161397214	XIJWCORCWYVATH-UHFFFAOYSA-N	300.358	4.305	70	20	DIID	
Cc1cscc1NC(=O)Nc1ccc(Br)cc1	159574544	UEMYZRPSAKQXDZ-UHFFFAOYSA-N	311.204	4.463	70	20	DIID	
O=C(C1=CCCC1)N1CCc2sccc2[C@@H]1c1cccs1	159714228	MUHRIWOUXGYJNZ-MRXNPFEDSA-N	315.463	4.394	70	20	DIID	
Cc1noc(C)c1CCSCCOc1ccccc1Cl	160066590	XRTLWTZPDSDTBN-UHFFFAOYSA-N	311.834	4.300	70	20	DIID	
CC[C@H](CN[C@H](C)c1cnn(C(C)C)c1)Oc1ccccc1F	160333886	CXZZFAAJDOHEJU-GDBMZVCRSA-N	319.424	4.111	70	20	DIID	
CC(C)Oc1ccccc1C(=O)Nc1cccc(OCCF)c1	160620033	SLNQYMJGGZPPEZ-UHFFFAOYSA-N	317.360	4.074	70	20	DIID	
CCC(CC)n1ncc(C(=O)N2C[C@H](C)c3ccccc32)c1C	159448067	HQRDYDCCFYRGGA-ZDUSSCGKSA-N	311.429	4.317	70	20	DIID	
CCC(C)(CC)C(=O)Nc1cccc(SCCC(=O)OC)c1	159508168	VBTRUNVKQLZUNE-UHFFFAOYSA-N	323.458	4.107	70	20	DIID	
CN(Cc1cccc(N(C)C)c1)Cc1ncc(-c2ccccc2)o1	159827979	CFSCGPHPUIUYQJ-UHFFFAOYSA-N	321.424	4.040	70	20	DIID	
CCC[C@]1(C)CCCN(CC2CCN(C(=O)C(C)(C)C)CC2)C1	159923252	OLUWGLHZSUXSKF-HXUWFJFHSA-N	322.537	4.173	70	20	DIID	
Cc1ccc(CCNC(=O)Nc2cc(Cl)ccc2C)cc1	217307775	RQSXYZHTLCVUKS-UHFFFAOYSA-N	302.805	4.321	70	20	DIID	
Cc1cccc(NC(=O)c2ccc(N(C)C)cc2F)c1Cl	159573497	FVCZNIACRIIQQW-UHFFFAOYSA-N	306.768	4.106	70	20	DIID	
CCc1noc(C)c1CSCC(=O)Nc1cc(C)cc(C)c1	160069671	BSKXQTMWWZPLOZ-UHFFFAOYSA-N	318.442	4.034	70	20	DIID	
CCC[C@H]1[C@@H](C)CCCN1CC1CCN(C(=O)C(C)(C)C)CC1	160623026	DHAKKLWNEMCVSL-WMZOPIPTSA-N	322.537	4.172	70	20	DIID	
Cc1ccc(OC[C@@H](C)NCc2cc(Cl)ccc2F)cc1	160788518	BIOSWJOAMQRBIO-CYBMUJFWSA-N	307.796	4.345	70	20	DIID	
COc1ccc(CN(C)Cc2cnc(C3CCC3)s2)cc1	159870934	ZZOGYQDPADYBEF-UHFFFAOYSA-N	302.443	4.051	70	20	DIID	
Cc1ccc(-c2cncc(C(=O)N(C)[C@H](C)c3ccco3)c2)cc1	161436863	MDVQAGYZEMIHQZ-OAHLLOKOSA-N	320.392	4.483	70	20	DIID	
C[C@@H]1CSc2ccccc2N(C(=O)c2ccc(Cl)o2)C1	159702765	SRXFVKSZHBULQK-JTQLQIEISA-N	307.802	4.322	70	20	DIID	
CCCCS[C@H](C)C(=O)O[C@@H](c1ccccn1)C(F)(F)F	159985275	WQLUCZLINPPILS-PWSUYJOCSA-N	321.364	4.150	70	20	DIID	
C[C@@H]1CN(C)CC[C@@H]1NCC1(Sc2ccccc2)CCCC1	160352816	DVMIANAHCMIFMV-AEFFLSMTSA-N	318.530	4.021	70	20	DIID	
CCc1ccccc1NC(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2	160436533	SFQHMTRJDZOCKX-CXTCDGGRSA-N	301.405	4.496	70	20	DIID	
COCc1ccc([C@@H]2CCCN2C(=O)c2cc(C)c(C)s2)o1	161425228	PWCRQTLGLPUQNG-AWEZNQCLSA-N	319.426	4.082	70	20	DIID	
C[C@H]1CCCN(C(=O)CCc2cncc(F)c2)c2ccccc21	159783930	DVEHRPZQMBBBJW-AWEZNQCLSA-N	312.388	4.084	70	20	DIID	
CC(C)C[C@@H](C)Oc1cc(CN[C@H](C)c2cncs2)ccn1	160812713	DTPVYPJYNVJYOW-ZIAGYGMSSA-N	319.474	4.202	70	20	DIID	
c1ccc(-c2nnc(N[C@@H]3CCCc4sccc43)s2)nc1	161050033	GGWUQNOKWLTXCD-LLVKDONJSA-N	314.439	4.151	70	20	DIID	
C[C@@H]1CCC[C@@H](C(=O)NCc2csc(-c3ccccc3)n2)C1	159444466	SOBKQYJWOYEIEE-UKRRQHHQSA-N	314.454	4.253	70	20	DIID	
COCc1nc(C)cc(S[C@@H]2CCCc3ccccc32)n1	160443527	PIAYUKQQMBEZKV-OAHLLOKOSA-N	300.427	4.101	70	20	DIID	
CC1(C(=O)NC[C@H]2CC3c4ccccc4C2c2ccccc23)CC1	159553051	JWGZDWSENHZPPC-WPUWVODUSA-N	317.432	4.200	70	20	DIID	
CCCOc1ccc(NC(=O)N2CC[C@@H](C)[C@@H](C)C2)c(C)c1	159778711	MLJWPNFETUHOKO-HIFRSBDPSA-N	304.434	4.294	70	20	DIID	
C[C@H](NC(=O)CCC(C)(C)c1ccccc1)c1cccc(O)c1	160714106	CNUDZAHDPGQFPE-HNNXBMFYSA-N	311.425	4.327	70	20	DIID	
COc1ccccc1-c1noc([C@@H]2C[C@H]2c2sccc2C)n1	160855240	BVCZUTRUMGOXGJ-CHWSQXEVSA-N	312.394	4.386	70	20	DIID	
CC[C@@H](NC(=O)Cc1nc(C)sc1C)c1ccc(Cl)cc1	161100113	VNGSPTSNSVBPLS-CQSZACIVSA-N	322.861	4.223	70	20	DIID	
Cc1ccc(CN[C@@H]2CCCOc3c(Cl)cccc32)cn1	161275394	ZWHQBCOTUKPEGY-MRXNPFEDSA-N	302.805	4.047	70	20	DIID	
C[C@H](CC(=O)Nc1ccc2nc(C3CC3)oc2c1)c1ccncc1	161314420	TZGRXXNDMCVLHG-GFCCVEGCSA-N	321.380	4.233	70	20	DIID	
Cc1n[nH]c(C)c1[C@H](C)CC(=O)N[C@H](C)CCC1CCCCC1	159668097	ILQVJSCANQRBKT-ZIAGYGMSSA-N	319.493	4.385	70	20	DIID	
C[C@@H](Cc1cccc(Cl)c1)C(=O)N(C)Cc1ccsc1	159742750	FVVZJSIZVZUZNO-LBPRGKRZSA-N	307.846	4.239	70	20	DIID	
C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)[C@@H]1CC[C@H](N)C1	161036557	OPOGTZXLLKWZHQ-YSGRDPCXSA-N	322.452	4.000	70	20	DIID	
Clc1ccc2nccc(N[C@H]3CCO[C@@H](C4CC4)C3)c2c1	160468046	RLKIRRAGBLRUAI-SUMWQHHRSA-N	302.805	4.258	70	20	DIID	
C[C@@H](NC(=O)CCC(C)(C)c1ccccc1)c1cccc(O)c1	160714235	CNUDZAHDPGQFPE-OAHLLOKOSA-N	311.425	4.327	70	20	DIID	
CC[C@H](NCc1ccc(F)c(COC)c1)c1ccc(F)cc1F	160898226	IGGKKRAFBXHANU-SFHVURJKSA-N	323.358	4.491	70	20	DIID	
CC[C@@H](N[C@@H](C)c1nc(C(C)(C)C)no1)c1ccc(F)cc1F	161028569	IISIUEUYPNGYDX-IINYFYTJSA-N	323.387	4.447	70	20	DIID	
CO[C@@H](CNC(=O)CCC1CCCC1)c1ccccc1Cl	218311391	XORMWTZIGIJXGQ-INIZCTEOSA-N	309.837	4.114	70	20	DIID	
CC(C)c1ccc(N[C@H](C)C(=O)NCc2ccccc2F)cc1	218732549	ZJJYVEAZHRPMIP-CQSZACIVSA-N	314.404	4.066	70	20	DIID	
CCCCn1ncc(NC(=O)N2CCC[C@@](C)(CCC)C2)c1C	159780768	LGIUWIFXYVFMJY-GOSISDBHSA-N	320.481	4.426	70	20	DIID	
CC[C@@H](C(=O)N[C@H]1CCCc2occc21)c1ccc(F)cc1	159933256	BFLQGTAIFGJRNR-ZBFHGGJFSA-N	301.361	4.106	70	20	DIID	
CCCCn1ncc(NC(=O)NCCC2=CCCCC2)c1C	160117987	GWDOMXWHFURQJS-UHFFFAOYSA-N	304.438	4.004	70	20	DIID	
Cc1nc2ccccc2nc1N[C@@H]1CCO[C@@H](c2ccccc2)C1	160625179	AIQXWVGHDLVLER-VQIMIIECSA-N	319.408	4.270	70	20	DIID	
Cc1ccsc1C(=O)N1CC[C@@H](Oc2ccccc2Cl)C1	161289230	LIZVQCMGPGOQDD-GFCCVEGCSA-N	321.829	4.003	70	20	DIID	
COc1cccc([C@H]2CCCN2C(=O)c2ccc(C(C)C)nc2)c1	161385948	ADCQBIZQBINDMH-LJQANCHMSA-N	324.424	4.191	70	20	DIID	
CO[C@@H](CNC(=O)NC1CCCCCC1)c1ccccc1Cl	218357972	XPIYBYOBOQSTBN-INIZCTEOSA-N	324.852	4.050	70	20	DIID	
C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)c1cccc2[nH]cnc12	159466483	HMPATLQYPCKAMV-AWEZNQCLSA-N	319.408	4.004	70	20	DIID	
CCc1cccc(CC)c1NC(=O)[C@H](C)Sc1ccncc1	159880020	UBPKHCSXDCNDJK-ZDUSSCGKSA-N	314.454	4.326	70	20	DIID	
CC[C@@H](N[C@H](CCO)CSC)c1ccc(Cl)c(Cl)c1	160212926	GLRLCCHQWBNBOA-BXUZGUMPSA-N	322.301	4.148	70	20	DIID	
Cc1cccc([C@@H]2CCCN2C(=O)c2ccc(CN(C)C)cc2)c1	160782612	DUTZBJVXZJDYGN-FQEVSTJZSA-N	322.452	4.034	70	20	DIID	
CC(C)n1cccc1C(=O)N(C)Cc1ccc(C(F)(F)F)cc1	161005125	ARIYYHITTYSRGF-UHFFFAOYSA-N	324.346	4.360	70	20	DIID	
CCN(C(=O)[C@@H](C)N[C@@H](c1ccccc1)C1CC1)c1ccccc1	218046964	MIICVXMTBPRMKV-UZLBHIALSA-N	322.452	4.169	70	20	DIID	
O=C(c1ccc(F)cc1C(F)(F)F)N1CCC[C@H]2CCC[C@@H]21	160982327	NYZXRTYEZVEWDP-YGRLFVJLSA-N	315.310	4.249	70	20	DIID	
Cc1c(CSC(C)C)cccc1NC(=O)NC1CC=CC1	161363046	VMGUABHBNLMTLM-UHFFFAOYSA-N	304.459	4.477	70	20	DIID	
CC[C@H]1c2ccsc2CCN1C(=O)c1cccc(C)c1F	161455363	IZENIQXSOABTKN-AWEZNQCLSA-N	303.402	4.345	70	20	DIID	
C[C@H](NC(=O)NCc1ccccc1)c1ccc2c(c1)CCCC2	217278208	KJRCUACHYDEKPI-HNNXBMFYSA-N	308.425	4.126	70	20	DIID	
CCc1noc(C)c1CNc1ccc(OC2CCC2)c(F)c1	159477893	WWSRTZKYQUEOAV-UHFFFAOYSA-N	304.365	4.228	70	20	DIID	
C[C@H](CC(=O)N(CC1CC1)C1CCCCC1)c1ccncc1	160390703	VPVYYUSOWDMJOR-OAHLLOKOSA-N	300.446	4.147	70	20	DIID	
Cc1c(CN[C@H](CCc2ccccc2)c2ccccc2)cnn1C	160455987	HUSHUDJQVVDYTM-OAQYLSRUSA-N	319.452	4.192	70	20	DIID	
CCOC(=O)[C@H](C)Nc1cccc(CO[C@@H]2CCC[C@@H](C)C2)c1	217201293	OYHFCKKCMBRYCL-RVKKMQEKSA-N	319.445	4.145	70	20	DIID	
CC1(C)C[C@@H](NCc2ccc(Cl)c(C(F)(F)F)c2)CCO1	160517055	RGXQSRJXBWQTPK-NSHDSACASA-N	321.770	4.406	70	20	DIID	
CC1(C(=O)Nc2nc(-c3cccnc3)cs2)CCCCC1	161171856	SJHNLOLDOPXULX-UHFFFAOYSA-N	301.415	4.114	70	20	DIID	
C[C@@H](NC[C@H](c1cccs1)N1CCCC1)c1ccccc1	216635643	TTXNSROFVULGEH-NVXWUHKLSA-N	300.471	4.236	70	20	DIID	
CC(C)c1ccc([C@H](C)CC(=O)N(C)C[C@@H]2CCCOC2)cc1	159448756	ATZHAZXJZMZKGG-SJORKVTESA-N	317.473	4.189	70	20	DIID	
Cc1c(NC(=O)Nc2cccc(F)c2F)cnn1CCC(C)C	159677320	FGJFMWGCUVNVDQ-UHFFFAOYSA-N	322.359	4.160	70	20	DIID	
Cc1nc(C(C)(C)C)sc1[C@@H](C)N[C@@H]1CCOC(C)(C)C1	159982070	DYKBURCUKBTQJB-DGCLKSJQSA-N	310.507	4.357	70	20	DIID	
Cc1ccsc1CCCC(=O)N[C@@H](C)Cc1cccs1	161304735	MEWWSYOBKZAFHB-ZDUSSCGKSA-N	307.484	4.188	70	20	DIID	
COCc1ccc([C@@H]2CCCN2C(=O)c2ccccc2Cl)o1	161349388	KVHOADMEDGADLK-HNNXBMFYSA-N	319.788	4.057	70	20	DIID	
c1coc(CN(Cc2ccc3cn[nH]c3c2)Cc2cccs2)c1	160654251	NTGNPQRMKDWFFP-UHFFFAOYSA-N	323.421	4.420	70	20	DIID	
COc1ccc([C@@H](C)N(C)Cc2csc(C3CC3)n2)cc1	161357421	HTWAROSFOFOSRE-GFCCVEGCSA-N	302.443	4.222	70	20	DIID	
O=C(NCc1cccc(Cl)c1)Nc1c(F)cccc1Cl	217313355	VXNCGOWHORKCSK-UHFFFAOYSA-N	313.159	4.454	70	20	DIID	
Cc1cc(F)ccc1NC1CCC(NC(=O)OC(C)(C)C)CC1	218090946	VIFHPEDMWWUNFQ-UHFFFAOYSA-N	322.424	4.382	70	20	DIID	
Cc1cccc([C@H](NC(=O)c2ccccc2F)c2ccccn2)c1	159804164	QRBPREHMNQEDBB-IBGZPJMESA-N	320.367	4.049	70	20	DIID	
Cc1cc([C@H](C)NCc2ccc(OC(C)C)nc2)c(C)s1	160042324	GXTACIRWLCTCDE-ZDUSSCGKSA-N	304.459	4.398	70	20	DIID	
c1ccc(-c2cnc(N[C@H]3CCO[C@@H](C4CC4)C3)s2)cc1	160324162	PKGOLXRWJVXJER-LSDHHAIUSA-N	300.427	4.180	70	20	DIID	
CC(C)(C(=O)Nc1cccc(OCCF)c1)c1cccc(F)c1	160433460	HOPMBQOOVILQQV-UHFFFAOYSA-N	319.351	4.090	70	20	DIID	
CN1CCC(N[C@H](c2ccc(Cl)cc2)c2cccs2)CC1	160440705	YIVOWKVXADDBTI-QGZVFWFLSA-N	320.889	4.175	70	20	DIID	
FC(F)(F)c1ccnc(N[C@H]2CCO[C@@H](c3ccccc3)C2)c1	160571104	OCVLQCAWSCTQSD-LSDHHAIUSA-N	322.330	4.433	70	20	DIID	
Cc1ccc(C)c([C@@H](C)NCc2ccccc2Cn2cccn2)c1	160696278	PURXVKCFGXTBPV-GOSISDBHSA-N	319.452	4.399	70	20	DIID	
CC[C@H](NC(=O)C[C@@H](C)c1ccncc1)C(C)(C)c1ccccc1	160786866	XDVDALOTDDGVHG-APWZRJJASA-N	324.468	4.448	70	20	DIID	
CCc1cccc(NC(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)c1	161048660	GMNYUXSUCDWCOJ-OALUTQOASA-N	324.424	4.291	70	20	DIID	
CCCc1ccc(N[C@H](C)C(=O)NCCc2ccccc2C)cc1	218724160	YCCAZGPMWDEORN-QGZVFWFLSA-N	324.468	4.107	70	20	DIID	
CC[C@H](CC1CCCC1)C(=O)N[C@H]1CCOC2(CCCC2)C1	159636487	UOHRHWBDKWQYAP-SJORKVTESA-N	307.478	4.201	70	20	DIID	
O=C(N[C@H]1CCCc2sccc21)[C@H]1CSc2ccccc21	160003643	HJQZTLPGGPFTCI-KBPBESRZSA-N	315.463	4.131	70	20	DIID	
Cc1ccc(CN(C)Cc2cnc(-c3ccc(C)o3)s2)o1	160873974	ABFFZLDOJJLZJB-UHFFFAOYSA-N	302.399	4.245	70	20	DIID	
O=C(c1ccc(F)cc1C(F)(F)F)N1CCC[C@H]2CCC[C@H]21	160982549	NYZXRTYEZVEWDP-QMTHXVAHSA-N	315.310	4.249	70	20	DIID	
COCc1ccc([C@@H]2CCCN2C(=O)CC2CCCCC2)o1	161508781	MOLZADBWGOOKMK-INIZCTEOSA-N	305.418	4.060	70	20	DIID	
CCc1ccc(NC(=O)CN[C@H](C)c2cc3ccccc3o2)cc1	216685078	BGVYBGRAAKTFEB-CQSZACIVSA-N	322.408	4.285	70	20	DIID	
CC(C)COc1ccc(CNc2cccc(-c3nnco3)c2)cc1	159614501	AUBOVARUNZVOFD-UHFFFAOYSA-N	323.396	4.384	70	20	DIID	
CCCc1ncc(C(=O)N(C)c2ccc(OC)c(Cl)c2)s1	160309225	RJRWJGDDUQXWCW-UHFFFAOYSA-N	324.833	4.034	70	20	DIID	
COc1ccc(CCNC(=O)Nc2ccc(C(C)C)cc2)cc1	217506109	FZGQBUJVNQYHDK-UHFFFAOYSA-N	312.413	4.183	70	20	DIID	
C[C@H](Nc1ccccc1O[C@@H]1CCOC1)c1ccccc1F	159961718	RDRFTXRIEADADI-UONOGXRCSA-N	301.361	4.167	70	20	DIID	
CCc1noc(C)c1CSCC(=O)Nc1cc(C)ccc1C	160053050	DBXKZAXESHVKDG-UHFFFAOYSA-N	318.442	4.034	70	20	DIID	
CC[C@H](C)Oc1ccc(NC(=O)C[C@H](C)c2ccncc2)cc1	160214637	IOGMWKUHOALJQH-GJZGRUSLSA-N	312.413	4.391	70	20	DIID	
C[C@@H](CC(=O)N1CCCC2(CCCCC2)C1)c1ccncc1	160299116	PJNRLFKLUWEXQN-INIZCTEOSA-N	300.446	4.148	70	20	DIID	
C[C@@H](c1cccs1)N(C)C(=O)Cc1c[nH]c2cc(F)ccc12	160500327	UZJVFRRETCEDTB-NSHDSACASA-N	316.401	4.131	70	20	DIID	
CC[C@@H](Nc1ccc(C(N)=O)c(Cl)c1)c1ccc(F)cc1F	160730309	YKKOWOIAMPUTDP-OAHLLOKOSA-N	324.758	4.280	70	20	DIID	
CS[C@H](C)CC(=O)Nc1ccc(Oc2cccnc2)c(C)c1	161059720	JVSZBASXFBUXBM-CYBMUJFWSA-N	316.426	4.262	70	20	DIID	
Cc1cc(F)cc(NC(=O)Nc2cnn(CCC(C)C)c2C)c1	161189714	CZEOPSWCXFZRRD-UHFFFAOYSA-N	318.396	4.329	70	20	DIID	
CCc1cnc(NC(=O)N2CC[C@@H](C)C[C@H]2c2ccco2)s1	161280263	TWTYELXANWFIIW-YPMHNXCESA-N	319.430	4.304	70	20	DIID	
CCc1ccc(CNCc2ccc(OC(F)(F)F)cc2)s1	218220013	NGUZFBPMFMCTBU-UHFFFAOYSA-N	315.360	4.499	70	20	DIID	
CC1(C(=O)NC[C@@H]2CC3c4ccccc4C2c2ccccc23)CC1	159552924	JWGZDWSENHZPPC-JAGHRAMZSA-N	317.432	4.200	70	20	DIID	
C[C@H](NC(=O)[C@@H](C)Sc1ccncc1)c1ccc(Cl)cc1	159980486	LQXZGRAXGLZPJD-NWDGAFQWSA-N	320.845	4.093	70	20	DIID	
COc1ccc(N(C)C(=O)c2csc(C(C)C)n2)cc1Cl	160027699	QNQDYGOATAQPCB-UHFFFAOYSA-N	324.833	4.205	70	20	DIID	
C[C@@H](c1ccccc1F)[S@@](=O)c1ncc(C(C)(C)C)s1	160545134	PZZIHJJBFGKLGG-FVINQWEUSA-N	311.447	4.449	70	20	DIID	
CC[C@@H](Cc1ccccc1)N(C)C(=O)C[C@H](C)c1ccncc1	160843353	RKEZBYJMDUSPSC-LPHOPBHVSA-N	310.441	4.055	70	20	DIID	
Cc1ccc(CN[C@@H](C)[C@H](C)c2nc3ccccc3s2)cn1	161294192	QZFXXMKIJHHHIR-KBPBESRZSA-N	311.454	4.282	70	20	DIID	
O=S(=O)(Cl)c1ccc(-c2ccccc2)cc1C(F)(F)F	112734760	BWJXFTSOQIREDM-UHFFFAOYSA-N	320.719	4.300	70	20	DIID	
CCSCC[C@H](C)N(C)C(=O)Nc1ccnc(C)c1Cl	159513388	OOAHTUMZCNMWTB-JTQLQIEISA-N	315.870	4.039	70	20	DIID	
C[C@@H]1CC[C@H](CC(=O)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)C1	159592057	VKENQIVFVYAGSY-DFEOGRTESA-N	315.457	4.097	70	20	DIID	
CC(C)(C)c1cnc([S@](=O)Cc2ccc(F)c(F)c2)s1	160593649	JKLKCIYVCBXYPA-FQEVSTJZSA-N	315.410	4.027	70	20	DIID	
Cc1cc(C(=O)Nc2ccc(F)cc2OCC2CC2)oc1C	160643419	QCFFZWIHDRSYJF-UHFFFAOYSA-N	303.333	4.077	70	20	DIID	
COc1ccc(C(=O)Nc2ccccc2-c2csc(C)n2)cc1	218572355	YTTPKTIFHYEXHI-UHFFFAOYSA-N	324.405	4.379	70	20	DIID	
CC(C)Cc1ccc(C(=O)N[C@H]2CCOC3(CCCC3)C2)cc1	159940213	OXPXGEFXXVNAAZ-SFHVURJKSA-N	315.457	4.107	70	20	DIID	
C[C@H](Sc1ccncc1)C(=O)N[C@H](C)c1ccc(Cl)cc1	159980832	LQXZGRAXGLZPJD-NEPJUHHUSA-N	320.845	4.093	70	20	DIID	
CCOc1ccc(NC(=O)C[C@H](C)c2ccncc2)cc1Cl	160117908	XPYAZKJGGCKIIR-LBPRGKRZSA-N	318.804	4.266	70	20	DIID	
CCc1ccc([C@@H](C)Nc2nnc(C(F)(F)F)s2)cc1	160151755	FAFFWPOCVRYMAF-MRVPVSSYSA-N	301.337	4.292	70	20	DIID	
CC(C)c1ccc([C@H]2CCCCN2C(=O)[C@H]2CCCOC2)cc1	160390202	KASBMJWHIGTRLH-RBUKOAKNSA-N	315.457	4.290	70	20	DIID	
O=C(Nc1cccc(OCCF)c1)c1c(F)cccc1Cl	160495674	JQRJHRACWXMOHB-UHFFFAOYSA-N	311.715	4.080	70	20	DIID	
C[C@@H]1C[C@@H](NC[C@@H](Cc2ccccc2)c2ccccc2)CCN1C	161238834	QJXAZRMZIFLUNI-QIJUGHKUSA-N	322.496	4.085	70	20	DIID	
Cc1cscc1NC(=O)Nc1cnn(CCC(C)C)c1C	161259183	QHHHFULQIQRABF-UHFFFAOYSA-N	306.435	4.252	70	20	DIID	
CC(C)(C)CCCC(=O)N[C@H](C[C@H]1CCOC1)c1ccccc1	159563932	NSLBGPFWNDBVDB-SJLPKXTDSA-N	317.473	4.487	70	20	DIID	
C[C@@H]1CN(C(=O)Nc2cccc(-c3nccs3)c2)CC[C@H]1C	159854555	GXZDNPVMJJIFIS-CHWSQXEVSA-N	315.442	4.320	70	20	DIID	
Cc1ccccc1[C@@H](C)NC1CCN([C@@H](C)c2ccncc2)CC1	159886726	OSEIKTXQZPFOKH-MSOLQXFVSA-N	323.484	4.266	70	20	DIID	
COc1ccc(N(C)C(=O)c2cccc(C)c2C)cc1Cl	159928606	SMMOBIPVEHGWAD-UHFFFAOYSA-N	303.789	4.242	70	20	DIID	
CC[C@H](C)Oc1ccc(NC(=O)C[C@@H](C)c2ccncc2)cc1	160214376	IOGMWKUHOALJQH-CABCVRRESA-N	312.413	4.391	70	20	DIID	
CCN(C(=O)CN[C@@H](C)c1cc2ccccc2o1)c1ccccc1	216687847	KREZFOFUFVZWOO-HNNXBMFYSA-N	322.408	4.137	70	20	DIID	
CCC(CC)c1cc(C(=O)N(C)c2ccc(OC)c(F)c2)on1	159458097	BHFSLDNTBCMBLA-UHFFFAOYSA-N	320.364	4.003	70	20	DIID	
Cc1ccnc(NC(=O)c2cncc(-c3ccc(Cl)cc3)c2)c1	159874628	JTJROZMBXBENNX-UHFFFAOYSA-N	323.783	4.358	70	20	DIID	
Cc1cc(N[C@@H]2CCO[C@@H](C3CC3)C2)c2cccc(F)c2n1	160422148	VBWWYLGBNBPUFW-CXAGYDPISA-N	300.377	4.052	70	20	DIID	
CC[C@@H](N[C@@H](CN1CCCC1=O)c1ccccc1)c1ccccc1	160680917	PRACTZAJUGJVAS-UXHICEINSA-N	322.452	4.091	70	20	DIID	
Cc1cc(F)c(C(=O)N2CCSc3ccccc32)cc1F	159410781	HBJSIRTYZQVNKJ-UHFFFAOYSA-N	305.349	4.026	70	20	DIID	
CC[C@@H](C(=O)NCCc1cc2ccccc2[nH]1)c1ccccc1	159529037	AJKOHSWLVSBQRL-GOSISDBHSA-N	306.409	4.020	70	20	DIID	
Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NCCC(C)(C)O	159834391	CTSSWLCJEKFDQY-LLVKDONJSA-N	322.449	4.069	70	20	DIID	
Cc1cc(NC(=O)C[C@@H](C)c2ccncc2)ccc1OC(C)C	160815764	YKXUUUNUSRJSMP-CQSZACIVSA-N	312.413	4.310	70	20	DIID	
Cc1ccc(-c2cncc(C(=O)N(CC(C)C)C3CC3)c2)cc1	161003758	JTCZQNVAWXAAOP-UHFFFAOYSA-N	308.425	4.318	70	20	DIID	
CC[C@H]1CCCC[C@H]1N(C)C(=O)c1ccc(Br)o1	161145956	MYMIHRHWZPNLIK-WDEREUQCSA-N	314.223	4.083	70	20	DIID	
O=C(Cc1cccnc1)N1CCCC[C@H]1CCCc1ccccc1	161153201	FAHGCCCHXSBOJZ-FQEVSTJZSA-N	322.452	4.028	70	20	DIID	
C[C@H]1CCC[C@H](OCCCCCC(=O)N(C)c2ccccn2)C1	159970233	NJSXDEUNWZOYIW-IRXDYDNUSA-N	318.461	4.200	70	20	DIID	
C[C@H](NCCCOc1ccc2ccccc2c1)c1ccccn1	159384050	CLFBWQLPANERLD-INIZCTEOSA-N	306.409	4.355	70	20	DIID	
C[C@@H](Nc1ccccc1O[C@@H]1CCOC1)c1cccc(F)c1	159934780	CYCVAFCMZLYPIQ-CZUORRHYSA-N	301.361	4.167	70	20	DIID	
C[C@H]1C[C@H]1c1ccc(CNc2cccc(C(=O)N3CCCC3)c2)o1	160075067	ZGFNSGCPXDPNHD-KBXCAEBGSA-N	324.424	4.251	70	20	DIID	
O=C1CSc2ccc(NCc3ccc(Cl)cc3F)cc2N1	160733540	YURGARCQVNPIQC-UHFFFAOYSA-N	322.792	4.135	70	20	DIID	
Cc1ccc(-c2n[nH]c(NC(=O)c3ccccc3Cl)c2C)o1	161440940	NSLVZPJTIUJVIN-UHFFFAOYSA-N	315.760	4.192	70	20	DIID	
C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1ccc(N)cc1	161453860	DNNKPSUNMCHXAW-OLZOCXBDSA-N	316.832	4.186	70	20	DIID	
COc1cccc([C@H](C)C(=O)N[C@H]2CCCc3sccc32)c1	159808531	LPNOBTMQQPCMAA-LRDDRELGSA-N	315.438	4.054	70	20	DIID	
CCOc1ccc(C(F)(F)F)cc1NC(=O)C[C@@H](C)SC	161085749	JOQUKHSNLZIVCY-SECBINFHSA-N	321.364	4.184	70	20	DIID	
CCCCn1ncc(NC(=O)N2CCC[C@@H]2[C@@H](C)CCC)c1C	159633218	YEMAVXCXEXUKHJ-WMLDXEAASA-N	320.481	4.424	70	20	DIID	
CCCn1nccc1CN[C@@H]1CCSc2ccc(Cl)cc21	160052722	XMUHXINKVDVVOG-OAHLLOKOSA-N	321.877	4.273	70	20	DIID	
COCCN(Cc1ccccc1)Cc1cnc(C2CCC2)s1	160453420	QFTQDXQALALTBQ-UHFFFAOYSA-N	316.470	4.059	70	20	DIID	
CCc1nc(C)c([C@H](C)NCCCCc2nc(C)cs2)s1	160643778	QTJQOGVMCODCMR-LBPRGKRZSA-N	323.531	4.452	70	20	DIID	
CCS[C@@H](C)c1noc(CSCc2cccc(OC)c2)n1	161067235	JKPKUSGSVYWNAZ-NSHDSACASA-N	324.471	4.326	70	20	DIID	
C[C@H]1CCN(C(=O)Nc2ccc(F)cc2C(F)(F)F)C[C@H]1C	161131797	XBEFCDJKHMAPES-VHSXEESVSA-N	318.314	4.354	70	20	DIID	
CC[C@H]1CCCC[C@H]1N(C)C(=O)c1csc(-c2ccoc2)n1	161309074	DQSBVIBLEPRYEG-SWLSCSKDSA-N	318.442	4.444	70	20	DIID	
COc1ccc(Cl)c(NCc2cccc3c2NCCC3)c1	159397781	KNBMHKKMIINJIU-UHFFFAOYSA-N	302.805	4.319	70	20	DIID	
CC[C@H](NCc1ccccc1Cn1cccn1)c1ccc(F)cc1	160696810	LJLXRHFMYPFYIP-FQEVSTJZSA-N	323.415	4.311	70	20	DIID	
COc1ccc(-c2cncc(C(=O)N3[C@@H](C)CCC[C@H]3C)c2)cc1	160884483	GJDHZWJSNPNKEP-GASCZTMLSA-N	324.424	4.160	70	20	DIID	
CC1=C(C(=O)Nc2ccccc2Cc2ccccc2)CCCO1	161198768	CEVJJBXBCFULQR-UHFFFAOYSA-N	307.393	4.300	70	20	DIID	
Cc1ccsc1CCCC(=O)Nc1ccccc1N(C)C	161284350	OYYPBKSMZLGHMG-UHFFFAOYSA-N	302.443	4.084	70	20	DIID	
Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1cccc2ncccc12	159395694	XSLZEJHBKATEDR-UONOGXRCSA-N	308.406	4.347	70	20	DIID	
c1ccc2c(c1)CC[C@@H]2NCc1ccc(N2CCCCCC2)nc1	160525486	RBIFBSBTXNKULR-FQEVSTJZSA-N	321.468	4.239	70	20	DIID	
Cc1ccccc1[C@@H](C)N[C@H](CN1CCCC1=O)c1ccccc1	160742468	CBZNYQDDMCQUQD-YLJYHZDGSA-N	322.452	4.009	70	20	DIID	
O=C(NC1CC=CC1)[C@H](Sc1ccccc1)c1ccccc1	161073461	PLCJFOSGACFCRZ-GOSISDBHSA-N	309.434	4.355	70	20	DIID	
Cc1ncc([C@H](C)N[C@@H]2CCSc3ccc(F)cc32)c(C)n1	159432092	LRRZQBRLMYWCSL-MEDUHNTESA-N	317.433	4.120	70	20	DIID	
CCCCn1ncc(NC(=O)N2CCC[C@@H](C)[C@H]2CCC)c1C	159779238	QNBZINPBXHKHPM-RHSMWYFYSA-N	320.481	4.424	70	20	DIID	
C[C@@H](CC(=O)N1CCC[C@@H](C(C)(C)C)CC1)c1ccncc1	160633589	BVCNXUAXFWZUSW-DOTOQJQBSA-N	302.462	4.250	70	20	DIID	
C[C@@H]1CN(C(=O)C2CCC(C)(C)CC2)C[C@H](c2ccsc2)O1	161209347	OJOUHCCVSVSVSS-CZUORRHYSA-N	321.486	4.253	70	20	DIID	
Cc1ccc([C@H](C)NC(=O)N2CCC[C@H]2c2cccc(C)n2)cc1	161349938	ZLSQABBJFIUQGM-LPHOPBHVSA-N	323.440	4.306	70	20	DIID	
COc1ccc(C(=O)N2C[C@H](C)CSc3ccccc32)cc1	159640602	OPNPAEBYQNJUGP-ZDUSSCGKSA-N	313.422	4.084	70	20	DIID	
Clc1ccc(-c2nnc(CN3CC[C@@H]4CCCC[C@@H]43)o2)cc1	159651771	YCICTEUSFMQPOR-WFASDCNBSA-N	317.820	4.155	70	20	DIID	
CCc1noc(C)c1CSCC(=O)Nc1ccc(Cl)cc1	159978721	ZKCZJGZFJIUMOP-UHFFFAOYSA-N	324.833	4.071	70	20	DIID	
Cc1nccc(C(=O)N2CCCC[C@H]2c2ccc(C(C)C)cc2)n1	160389397	NSTJDLAVSPAYSH-IBGZPJMESA-N	323.440	4.276	70	20	DIID	
CC(C)Sc1ccccc1NC(=O)CCc1ccncc1	160906895	ZVKZAGWVZMYHMQ-UHFFFAOYSA-N	300.427	4.153	70	20	DIID	
CCC(C)(C)[C@@H]1CCCN1CC1CCN(C(=O)C(C)(C)C)CC1	160954297	WEJUALCUYAMSMB-KRWDZBQOSA-N	322.537	4.172	70	20	DIID	
C[C@H](CC(=O)N(C)CCCCc1ccccc1)c1ccncc1	160112985	UGGHBRJNTTVOHY-QGZVFWFLSA-N	310.441	4.057	70	20	DIID	
CCNC(=O)c1cccc(CN[C@H]2CC[C@@H](C)c3ccccc32)c1	160190362	XWDLTUOTMCCHRP-QRWLVFNGSA-N	322.452	4.165	70	20	DIID	
CCC(CC)n1ncc(C(=O)Nc2nc(C3CC3)cs2)c1C	160835922	GAVVXHNLBZEULI-UHFFFAOYSA-N	318.446	4.139	70	20	DIID	
COCc1ccc([C@@H]2CCCN2C(=O)C2CCC(C)(C)CC2)o1	161445886	DCZTXQBSMLCDRP-INIZCTEOSA-N	319.445	4.306	70	20	DIID	
COc1cccc(CCC(=O)OCc2ccc(Cl)cc2)c1	217070016	ZPKKUAKLHPGIAB-UHFFFAOYSA-N	304.773	4.025	70	20	DIID	
C/C=C(\C=C\C(=O)Nc1cc(NC(C)=O)ccc1Cl)CC	160684295	FSAAZDGSZBCDJO-WHBGTBAYSA-N	306.793	4.149	70	20	DIID	
O=C(NC1CC=CC1)c1ccccc1SCc1cccs1	161079539	DZPFKWFLIXZFEB-UHFFFAOYSA-N	315.463	4.489	70	20	DIID	
CSc1ccccc1NCc1noc(C2CCCCC2)n1	161121411	GAPVYQIYPFXBHQ-UHFFFAOYSA-N	303.431	4.451	70	20	DIID	
Cc1cc(C(=O)N[C@H]2CCSc3c(F)cccc32)ccc1F	216832222	HDMXBBBYUZQXBE-HNNXBMFYSA-N	319.376	4.240	70	20	DIID	
O=C(CCCc1cccs1)N[C@@H]1CCCc2sccc21	160043628	SNYZHJHJBIRDAG-CQSZACIVSA-N	305.468	4.326	70	20	DIID	
CC[C@@H](CN[C@H](C)c1cnn(CC)c1)Oc1ccccc1Cl	160445145	KCPSJDDXLKOZAX-HIFRSBDPSA-N	321.852	4.065	70	20	DIID	
Fc1cc(Cl)cc(CNc2cccc(-n3ccnc3)c2)c1	160839736	SKKHNXDBATVMPR-UHFFFAOYSA-N	301.752	4.277	70	20	DIID	
CCN(Cc1ccccn1)[C@H](C)c1nnc(-c2ccc(C)cc2)o1	161094525	DCMIRMSWWYZBSP-OAHLLOKOSA-N	322.412	4.023	70	20	DIID	
Cc1ccc(-c2n[nH]c(NC(=O)c3ccc4c(c3)CCC4)c2C)o1	161464607	FIJGQRFRVBUXRQ-UHFFFAOYSA-N	321.380	4.028	70	20	DIID	
CC(C)(C)c1ccc(NC(=O)NCCc2ccccc2F)cc1	217301374	FBIFKJQBZGTBJU-UHFFFAOYSA-N	314.404	4.487	70	20	DIID	
O=C(NCCCCc1ccccc1)Nc1ccc(F)c(F)c1F	217309268	SHKKWRWTHZBPNZ-UHFFFAOYSA-N	322.330	4.248	70	20	DIID	
O=C(NC1CCCC1)N(Cc1ccccc1)Cc1ccccc1	217581870	KCDZEWZFUZIEOY-UHFFFAOYSA-N	308.425	4.341	70	20	DIID	
Cc1nccc(NC(=O)N(C)CCCc2ccccc2)c1Cl	159398329	XSPLLJDAESMMRK-UHFFFAOYSA-N	317.820	4.140	70	20	DIID	
CCNC(=O)Nc1cccc(NC(=O)CC2(C)CCCCC2)c1	160408124	RQKYWFDTRRWYDG-UHFFFAOYSA-N	317.433	4.127	70	20	DIID	
Cc1cc(C(=O)Nc2c(C)cnn2-c2ccccc2)cc(C)c1F	160600547	HTGRSZPVUJNKGK-UHFFFAOYSA-N	323.371	4.189	70	20	DIID	
CCc1ncnc(N[C@@H](C)c2ccc(Br)cc2)c1F	217956594	NPZTYDRSUSBFGL-VIFPVBQESA-N	324.197	4.114	70	20	DIID	
Cc1nccc(NC(=O)N(C)[C@H](C)c2ccccc2)c1Cl	159578845	JFOPUQGLVUFHQH-GFCCVEGCSA-N	303.793	4.268	70	20	DIID	
CC(C)Sc1ccc(Cl)cc1NC(=O)Nc1ccn(C)n1	159748603	DXHKPJBQEVXDHL-UHFFFAOYSA-N	324.837	4.218	70	20	DIID	
C[C@@H]1CCC[C@H](OCCCCCC(=O)Nc2cccc(O)c2)C1	159960763	FIYCLGVPCGZINL-QAPCUYQASA-N	319.445	4.486	70	20	DIID	
C[C@@H]1CC[C@H](CC(=O)O[C@@H](c2ccccn2)C(F)(F)F)C1	160102551	KAPXPKWBEWQHBD-SUNKGSAMSA-N	301.308	4.055	70	20	DIID	
Cc1ccc(C(=O)CCNC2(c3nccs3)CCCC2)cc1	160633636	KDJLHTDVVQKONW-UHFFFAOYSA-N	314.454	4.083	70	20	DIID	
CC[C@H](NC(=O)C[C@H](C)c1ccncc1)C(C)(C)c1ccccc1	160787110	XDVDALOTDDGVHG-LPHOPBHVSA-N	324.468	4.448	70	20	DIID	
Cc1ccc(NC(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)c(C)c1	160934546	QPZVMRPVIFYZPU-MJGOQNOKSA-N	324.424	4.345	70	20	DIID	
CC[C@@H](C(=O)NCCc1cc2ccccc2[nH]1)c1ccc(F)cc1	161288061	NSCDDKHZLREFRO-GOSISDBHSA-N	324.399	4.160	70	20	DIID	
CCc1ccc(CS[C@H](C)C(=O)NCc2cccs2)cc1	217229533	DSAFJGZJGWMSTG-CYBMUJFWSA-N	319.495	4.249	70	20	DIID	
Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1cccc2cccnc12	159553779	PTGUFMSIXWFVFI-UONOGXRCSA-N	308.406	4.347	70	20	DIID	
C[C@@H](NC1CCN(C2CCCC2)CC1)c1cc2ccccc2o1	159957990	BINIPBSCWAYSEA-OAHLLOKOSA-N	312.457	4.490	70	20	DIID	
CC1(C)C[C@@H](NCc2cc(C(F)(F)F)ccc2Cl)CCO1	160550715	ZQDYSPATAJPKJI-LBPRGKRZSA-N	321.770	4.406	70	20	DIID	
CCc1ccc([C@H](C)NC(=O)NCc2cccc(Cl)c2)cc1	217314851	VFIVTBXXCMXSRV-ZDUSSCGKSA-N	316.832	4.463	70	20	DIID	
O=C(CCC1CCCC1)CSc1nnc(C2CC2)n1C1CC1	160058284	XSBLFNBACDGCCC-UHFFFAOYSA-N	319.474	4.122	70	20	DIID	
C[C@H](NC(=O)Nc1cccc(F)c1F)c1cccc(F)c1F	160464440	RASDZJMASKOVFN-QMMMGPOBSA-N	312.266	4.126	70	20	DIID	
CC[C@@H](NCc1cccc(NC(C)=O)c1)c1ccc(F)cc1F	160756537	PETVKILTFPKJNZ-GOSISDBHSA-N	318.367	4.164	70	20	DIID	
COCc1ccc([C@@H]2CCCN2C(=O)CCCC2CCCC2)o1	161338436	AZYPQBUORAOXFH-KRWDZBQOSA-N	319.445	4.450	70	20	DIID	
CCCO[C@H]1CCCN(CCSc2ccccc2F)CC1	217005647	KCJVKGUHFKRFSA-HNNXBMFYSA-N	311.466	4.199	70	20	DIID	
CCc1ccccc1NC(=O)NCCc1cccc(Cl)c1	217464348	XLDWCYDDVQCLSV-UHFFFAOYSA-N	302.805	4.267	70	20	DIID	
C[C@@H](C(=O)N(C)Cc1ccccc1Cl)c1c(F)cccc1F	160787497	CJODWHCJXDQUDE-LLVKDONJSA-N	323.770	4.380	70	20	DIID	
CCc1ccc([C@H](C)NCc2ccc(CN(C)C)cc2)s1	160896933	WKVQBIVHMQLMPW-AWEZNQCLSA-N	302.487	4.223	70	20	DIID	
Cc1nnc([C@@H]2Cc3ccccc3CN2CCC2CCCC2)o1	159436446	HJDMATZPZALSLG-SFHVURJKSA-N	311.429	4.058	70	20	DIID	
Cc1cc(Oc2ccc(NC(=O)CC3=CCCCC3)cc2)n[nH]1	159493243	VPRWMEZVVASPPP-UHFFFAOYSA-N	311.385	4.339	70	20	DIID	
CN(CCc1nccs1)C(=O)Nc1cccc2ccccc12	159792930	LNENWVJNDMWPDU-UHFFFAOYSA-N	311.410	4.003	70	20	DIID	
C[C@@H](Nc1ccccc1O[C@H]1CCOC1)c1ccc(F)cc1	159899563	LOYKCVAHQFVMEF-CJNGLKHVSA-N	301.361	4.167	70	20	DIID	
Cc1cccc([C@H](NC(=O)CCC2CCC2)c2ccccn2)c1	159925986	MAPSXYZZHWUAKN-FQEVSTJZSA-N	308.425	4.176	70	20	DIID	
CC(C)c1ccc(OCCN[C@H](C)c2cncc(F)c2)cc1	160340990	RTNRMWGQYYSDQY-CQSZACIVSA-N	302.393	4.074	70	20	DIID	
CCc1nc2cc(NC(=O)N(CC3CC3)CC3CC3)ccc2o1	160487726	WWZGHGZOKZPQJD-UHFFFAOYSA-N	313.401	4.044	70	20	DIID	
OCCC[C@H](N[C@H](Cc1ccccc1)C1CC1)c1ccccc1	160687930	ROUBFYCIHCZTBW-LEWJYISDSA-N	309.453	4.111	70	20	DIID	
CC[C@H](NCc1ccc2c(c1)OCCCO2)c1ccc(F)cc1	160874316	BJOMJFJECCGACY-KRWDZBQOSA-N	315.388	4.228	70	20	DIID	
CCCCC1CCC(CNC2CCC(NC(C)=O)CC2)CC1	161353881	AILTXIKXGPASKI-UHFFFAOYSA-N	308.510	4.020	70	20	DIID	
Cc1ccc(NC(=O)N(C)[C@@H](C)Cc2ccc(Cl)cc2)cn1	161446346	NEYFCUSMVSQFTB-ZDUSSCGKSA-N	317.820	4.138	70	20	DIID	
C[C@@H](NC[C@@H](c1cccs1)N1CCCC1)c1ccccc1	216635557	TTXNSROFVULGEH-WBVHZDCISA-N	300.471	4.236	70	20	DIID	
CCc1ccc([C@H](C)NC(=O)NCCc2ccccc2C)cc1	217315636	MZFNVTVFFHDWMN-INIZCTEOSA-N	310.441	4.160	70	20	DIID	
CCc1ccccc1NC(=O)CSCCN(C(C)C)C(C)C	161090014	XPLKXCQSLRMNNM-UHFFFAOYSA-N	322.518	4.040	70	20	DIID	
CCN(C(=O)CNc1cccc(Cl)c1)c1ccccc1C	217142953	LBAMRIBDIGVXBQ-UHFFFAOYSA-N	302.805	4.113	70	20	DIID	
O=S(=O)(Cl)c1cc(-c2ccccc2)cc(C(F)(F)F)c1	112734762	MTIJNPPDFWDHGA-UHFFFAOYSA-N	320.719	4.300	70	20	DIID	
CCc1noc(C)c1CSCC(=O)Nc1cccc(Cl)c1	160010604	NPVQWNDBAPLRIU-UHFFFAOYSA-N	324.833	4.071	70	20	DIID	
CCCCN(CC(F)(F)F)C(=O)CCc1ccc(F)cc1F	160567780	GSILVSBXLZTDSO-UHFFFAOYSA-N	323.305	4.088	70	20	DIID	
C[C@@H](NCCCC(=O)Nc1ccc(Cl)cc1)c1ccco1	160804481	KHDPAMKVUINPRC-GFCCVEGCSA-N	306.793	4.003	70	20	DIID	
C[C@@H](Oc1ccccc1)C(=O)Nc1scnc1-c1ccccc1	161439311	KCTGABVOKQBDJL-CYBMUJFWSA-N	324.405	4.216	70	20	DIID	
Cc1cccc(CCNC(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c1	217408901	ZHJGCOBZHAOQFQ-XLIONFOSSA-N	314.473	4.148	70	20	DIID	
C[C@@H](NC(=O)Nc1ccc(-c2nccs2)cc1)C1CCC1	159691929	KYNFKGWFRDCVME-LLVKDONJSA-N	301.415	4.120	70	20	DIID	
Cc1noc(C)c1[C@H](C)CC(=O)N[C@@H]1CCCc2sccc21	159883666	YOESKYBZCMPHTQ-QMTHXVAHSA-N	318.442	4.040	70	20	DIID	
Cc1cccc2nc(CN[C@H]3CCCCc4ccccc43)cn12	160330655	UYJAIFVOOSFKAS-IBGZPJMESA-N	305.425	4.200	70	20	DIID	
CCS[C@@H](C)c1noc(CSCc2ccc(F)cc2)n1	160976651	XSBYAVDUJZHMEY-JTQLQIEISA-N	312.435	4.456	70	20	DIID	
COc1ccc(N(C)C(=O)c2cc3c(s2)CCC3)cc1Cl	159986935	AEONDTVEBKNZOA-UHFFFAOYSA-N	321.829	4.175	70	20	DIID	
CC(=O)c1c(F)cccc1N[C@H]1CCO[C@H](c2ccccc2)C1	160631604	VJCPQXJYGGKHCZ-YJBOKZPZSA-N	313.372	4.361	70	20	DIID	
Cc1noc(CS[C@@H](C)c2cccc(Br)c2)n1	161196465	NCKUWQQCVVEWIG-QMMMGPOBSA-N	313.220	4.135	70	20	DIID	
Cc1cccc(C(=O)N[C@@H]2CCSc3ccccc32)c1F	161411165	PZKRXCLRUSYBFC-CQSZACIVSA-N	301.386	4.101	70	20	DIID	
CC1(C)C[C@H](NCc2ccc(Cl)c(C(F)(F)F)c2)CCO1	160516920	RGXQSRJXBWQTPK-LLVKDONJSA-N	321.770	4.406	70	20	DIID	
CC(=O)Nc1cccc([C@H](C)NC[C@H]2CCc3ccccc32)c1	160955238	PFVNXPARGHDIHR-KBXCAEBGSA-N	308.425	4.026	70	20	DIID	
COCc1cccc(C(=O)Nc2scnc2-c2ccccc2)c1	161431556	ZFVWFCGDGMRXFE-UHFFFAOYSA-N	324.405	4.209	70	20	DIID	
Cc1cccc([C@@H](NC(=O)CCC2CCC2)c2ccccn2)c1	159926128	MAPSXYZZHWUAKN-HXUWFJFHSA-N	308.425	4.176	70	20	DIID	
CC(C)(C)CN(CC(C)(C)C)C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1	160333730	BHQGHIHVMXIZIF-HZPDHXFCSA-N	324.509	4.048	70	20	DIID	
CC[C@H](NC(=O)CCc1ccc(C)cc1C)c1c(C)noc1C	160442082	MOIYNXUWFBKMCY-KRWDZBQOSA-N	314.429	4.108	70	20	DIID	
CC1(C)C[C@@H](Nc2nc(-c3ccc(F)cc3)cs2)CCO1	160678027	GGWSDLIWXJOLDD-ZDUSSCGKSA-N	306.406	4.319	70	20	DIID	
CN(C(=O)C1(Cc2ccccc2)CCC1)c1nc2ccccc2o1	160722485	SDIZKESKSGCKPX-UHFFFAOYSA-N	320.392	4.204	70	20	DIID	
C[C@@H](CCc1ccc(O)cc1)NCc1cc(F)cc(Cl)c1	160884932	LKPJJAQBZCJXQL-LBPRGKRZSA-N	307.796	4.296	70	20	DIID	
COc1ccc(N(C)C(=O)[C@H](C)c2cccs2)cc1Cl	160194613	RTHJBKOFNBULSR-SNVBAGLBSA-N	309.818	4.177	70	20	DIID	
CCC(C)(C)C(=O)N[C@@H](C)c1noc(-c2ccc(Cl)cc2)n1	160310334	QFCCPDXDBSNJNR-JTQLQIEISA-N	321.808	4.003	70	20	DIID	
CN(CCC1CC1)C(=O)Nc1ccccc1N(C)C1CCCC1	160415325	OGMKMJLLCUDWIQ-UHFFFAOYSA-N	315.461	4.329	70	20	DIID	
C[C@@H](CC(=O)N[C@H](C)CC(=O)c1cccs1)c1ccccc1	160740279	SUUHEOKAXYEZBG-UONOGXRCSA-N	315.438	4.019	70	20	DIID	
CN(Cc1ccccc1Cl)Cc1ncccc1C(F)(F)F	160816080	SYSVFSKPOALCSI-UHFFFAOYSA-N	314.738	4.386	70	20	DIID	
CC(=O)c1cccc(NC(=O)CN(c2ccccc2C)C(C)C)c1	216926012	YIUGKGYPEZKNGY-UHFFFAOYSA-N	324.424	4.051	70	20	DIID	
COc1ccc(N(C)C(=O)C[C@@H](C)c2cccc(F)c2)cc1F	159722694	YWBKWCSXHMGDMF-GFCCVEGCSA-N	319.351	4.130	70	20	DIID	
CC[C@@H](NC(=O)c1oc2ccccc2c1C)c1c(C)noc1C	160102247	YLSXWTPNYALKIO-CQSZACIVSA-N	312.369	4.227	70	20	DIID	
CC(C)(C(=O)Nc1ccccc1O)c1cccc(C(F)(F)F)c1	160528791	FKHXVGMPATYDHR-UHFFFAOYSA-N	323.314	4.327	70	20	DIID	
OCc1cc2ccccc2nc1N[C@@H]1CCCc2sccc21	161050506	UFLRSIBYYHCTGM-MRXNPFEDSA-N	310.422	4.278	70	20	DIID	
CCO[C@@H](C)C(=O)Nc1ccccc1Oc1cc(F)cc(F)c1	161434772	SAPCMQIIJSHQKP-NSHDSACASA-N	321.323	4.121	70	20	DIID	
COCc1ccc([C@H]2CCCN2C(=O)c2cc(C)sc2C)o1	161484721	SKJGUBKBYHGIRF-OAHLLOKOSA-N	319.426	4.082	70	20	DIID	
CC(C)CC[C@@H](C)NC1CCC(NC(=O)OC(C)(C)C)CC1	218091970	SZTIPKTXKMLWNK-QQFBHYJXSA-N	312.498	4.237	70	20	DIID	
Cc1cccc([C@H](C)C(=O)NCc2ncc(-c3ccccc3)o2)c1	159777228	BZDLEQLHZXMIRM-HNNXBMFYSA-N	320.392	4.070	70	20	DIID	
Cc1ccc(Cc2nc(C(=O)N3[C@H](C)CC[C@H]3C)cs2)cc1	159894559	PRZDEPFKFWBUPT-ZIAGYGMSSA-N	314.454	4.055	70	20	DIID	
Cc1noc(C)c1CCSCCOc1cccc(Cl)c1	160068720	YNLXRYYKZUCLKF-UHFFFAOYSA-N	311.834	4.300	70	20	DIID	
CCc1cccc(NC(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)c1	161048774	GMNYUXSUCDWCOJ-RTBURBONSA-N	324.424	4.291	70	20	DIID	
CCOc1cc(F)ccc1NC(=O)[C@H](c1ccccc1)C1CC1	159945077	FWUBGFLUKZQLRA-GOSISDBHSA-N	313.372	4.357	70	20	DIID	
CC[C@H](C)N(C)C(=O)Nc1ccc(COC2CCCC2)cc1	160516496	OWIIYFYVQUKDJQ-AWEZNQCLSA-N	304.434	4.408	70	20	DIID	
CC[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(C(F)(F)F)nc1	161232134	FPMRMCFPJXSNNR-AAEUAGOBSA-N	314.351	4.141	70	20	DIID	
Brc1cccc([C@H]2CCCN2Cc2ccco2)c1	217263211	DZUZFQQYUXPUSB-OAHLLOKOSA-N	306.203	4.379	70	20	DIID	
CCCC(=O)Nc1cccc(CN[C@@H](C)c2ccc(C)o2)c1	159936990	HKTNNGUQYMYUHI-AWEZNQCLSA-N	300.402	4.177	70	20	DIID	
Cc1ccc(-c2n[nH]c(NC(=O)CCC3CCCC3)c2C)o1	161510158	URJLITQXDZOJMA-UHFFFAOYSA-N	301.390	4.195	70	20	DIID	
COc1ccc(CNC(=O)Nc2c(C)cc(C)cc2Cl)cc1	217271370	BHRTXCPYQHEUMJ-UHFFFAOYSA-N	318.804	4.287	70	20	DIID	
CC(C)(C)CC(C)(C)NC(=O)NCCc1ccc(Cl)cc1	217308567	OJECHWIFHGWIQJ-UHFFFAOYSA-N	310.869	4.397	70	20	DIID	
CC(=O)Nc1ccc(NC(=O)Nc2c(F)cccc2Cl)cc1	217313023	GXSUBIHOCMYMRD-UHFFFAOYSA-N	321.739	4.082	70	20	DIID	
CCc1ccc(CNCc2c[nH]nc2-c2cccs2)s1	218220232	CRDGZJPEGISESO-UHFFFAOYSA-N	303.456	4.052	70	20	DIID	
CO[C@H](CNC(=O)c1cc(C)cc(C)c1)c1ccccc1Cl	218312079	AITNYIUJMZXKHD-QGZVFWFLSA-N	317.816	4.074	70	20	DIID	
Cc1csc(-c2ccc(N[C@H](C)CCn3cccn3)cc2)n1	159436754	FMUTWCHZMXNHAW-CYBMUJFWSA-N	312.442	4.206	70	20	DIID	
Cc1ccc(C)c(C(=O)N[C@H](C[C@@H]2CCOC2)c2ccccc2)c1	159484552	RPDHSPJMDUYMEN-FXAWDEMLSA-N	323.436	4.201	70	20	DIID	
O=C(CCC1CCCC1)CSc1nnc(-c2ccccc2)o1	159928120	WFHFGGNWCAIRLZ-UHFFFAOYSA-N	316.426	4.368	70	20	DIID	
C[C@@H](NCCc1csc(-c2ccccc2)n1)c1cccnc1	160388107	HYNQAUOUKKANTC-CQSZACIVSA-N	309.438	4.098	70	20	DIID	
CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)C[C@@H](C)c1ccncc1	160874816	BCICWQFGRYJTAF-YLJYHZDGSA-N	324.468	4.363	70	20	DIID	
Cc1ccc(NC(=O)c2ccc(F)cc2C(F)(F)F)c(C)n1	161149200	RHZLQYUILAAYIN-UHFFFAOYSA-N	312.266	4.109	70	20	DIID	
Clc1ccc(OCc2nccs2)c(Br)c1	161153447	GFRPKDZBYXCJPT-UHFFFAOYSA-N	304.596	4.138	70	20	DIID	
Cc1ccc(CN[C@@H](C)c2ccc(-c3ccncc3)cc2)cn1	161283155	FATOJOZWRGDVJU-INIZCTEOSA-N	303.409	4.303	70	20	DIID	
Cc1ccc(O)c(C(=O)Nc2ccc(-c3nccs3)cc2)c1	218347783	DEJJHUCTGYVXQY-UHFFFAOYSA-N	310.378	4.076	70	20	DIID	
Cc1cccc(NC(=O)N[C@H](C[C@H]2CCOC2)c2ccccc2)c1	159718416	KNWVCFGVRIIFDO-VQIMIIECSA-N	324.424	4.284	70	20	DIID	
CCOc1ccc(OCC)c(NC(=O)Nc2cscc2C)c1	159912932	QEBJJDMPPRMLAJ-UHFFFAOYSA-N	320.414	4.498	70	20	DIID	
CC(=O)Nc1ccc(CCN[C@@H](C)c2cc(C)ccc2C)cc1	160885084	PBLIFDAYENPVPD-INIZCTEOSA-N	310.441	4.155	70	20	DIID	
Cc1ccc(OCCCNC(=O)Nc2cccc(Cl)c2)cc1	217297830	CZXHLLYIFPNIJN-UHFFFAOYSA-N	318.804	4.239	70	20	DIID	
CCCCOCCCNC(=O)Nc1ccc(C(F)(F)F)cc1	217312846	OOPJEVURPHRGDM-UHFFFAOYSA-N	318.339	4.034	70	20	DIID	
Fc1ccc(-c2cnc(CN3CC[C@@H]4CCCC[C@@H]43)o2)cc1	159592258	JYQSLAGCJPEAEO-BBRMVZONSA-N	300.377	4.245	70	20	DIID	
CC[C@@]1(C)C[C@@H]1C(=O)Nc1ccc(NC(=O)CC(C)C)cc1	160857722	LIZHWGUBEOZOGT-QAPCUYQASA-N	302.418	4.046	70	20	DIID	
COc1ccc(OC(F)F)c(CN[C@@H](C)c2ccccc2C)c1	159791527	ODYIUASNBVXZBA-ZDUSSCGKSA-N	321.367	4.456	70	20	DIID	
CCCO[C@H]1CCCN(C(=O)[C@H](CC)c2ccc(F)cc2)CC1	159889839	KUEODVVYEPHRLW-ZWKOTPCHSA-N	321.436	4.127	70	20	DIID	
CCc1ncc(NC(=O)N2CCC[C@H]2c2cc(C)ccc2C)cn1	161199772	XZWMIFNQNDPXBT-KRWDZBQOSA-N	324.428	4.025	70	20	DIID	
Cc1cc(C)n(-c2ccc(CN(C)Cc3cccc(F)c3)cc2)n1	216653201	QVPDBJGCCUGYJP-UHFFFAOYSA-N	323.415	4.260	70	20	DIID	
COc1ccc(Cl)cc1N(C)C(=O)c1cc(C)ccc1C	217194269	INBLFUDECAPJIZ-UHFFFAOYSA-N	303.789	4.242	70	20	DIID	
CC[C@H](C(=O)N[C@H]1C[C@@H]1c1cccc(F)c1)c1ccc(F)cc1	159474910	LOYVDFHIUNETSR-KSZLIROESA-N	315.363	4.131	70	20	DIID	
Cc1nccc(NC(=O)N(Cc2ccccc2)C2CC2)c1Cl	159694166	QFSUUPWLFUANMR-UHFFFAOYSA-N	315.804	4.240	70	20	DIID	
CO[C@@H](CNC(=O)c1cc(C)cc(C)c1)c1ccccc1Cl	218312032	AITNYIUJMZXKHD-KRWDZBQOSA-N	317.816	4.074	70	20	DIID	
Cc1ccc(-c2cncc(C(=O)Nc3ncccc3C)c2)cc1	159875614	HKYSHTZNUSPNCR-UHFFFAOYSA-N	303.365	4.013	70	20	DIID	
O=C(CCc1ccc(F)cc1)N[C@H]1CCCc2sccc21	159797626	MECVGVNWQWOWKY-HNNXBMFYSA-N	303.402	4.014	70	20	DIID	
Cc1nccc(NC(=O)N2C[C@H](C)[C@@H]3CCCC[C@@H]32)c1Cl	159866960	IKQLHPWGGPPJPB-JKOKRWQUSA-N	307.825	4.086	70	20	DIID	
CC(C)c1ccc(C(=O)N(C)[C@@H](C)c2ccccc2F)cn1	160984890	GHTNKJVBAFWBJM-ZDUSSCGKSA-N	300.377	4.177	70	20	DIID	
C[C@@H](NC[C@H](Cc1ccccc1)c1ccccc1)c1cnccn1	161244434	FBNIHAQFNRZTOU-XLIONFOSSA-N	317.436	4.154	70	20	DIID	
CS[C@H](C)C(=O)NCc1ccccc1-c1ccc(Cl)cc1	216641610	WRPNLKRUHROMGB-GFCCVEGCSA-N	319.857	4.375	70	20	DIID	
c1ccc(-c2csc(N[C@@H]3CCO[C@@H](C4CC4)C3)n2)cc1	160395972	WYWBIQLVFHZDER-GDBMZVCRSA-N	300.427	4.180	70	20	DIID	
O=C(Nc1cccc(OC(F)F)c1)N1CC[C@@H]2CCCC[C@@H]21	160680052	HHGNSQKVHONHFM-FZMZJTMJSA-N	310.344	4.084	70	20	DIID	
Cc1cc2oc(=O)cc(CNc3cc(F)cc(F)c3)c2cc1C	217104717	ZXGXCVBFSLKSPF-UHFFFAOYSA-N	315.319	4.300	70	20	DIID	
Cc1cccc([C@@H](C)NC2CCN([C@H](C)c3ccncc3)CC2)c1	159885282	KTDVPJSIBKLMJQ-QZTJIDSGSA-N	323.484	4.266	70	20	DIID	
COc1ccc(OC)c([C@@H](C)N[C@H]2CCc3c(C)cccc32)c1	159975255	LABQHNKMLXGQQQ-KUHUBIRLSA-N	311.425	4.350	70	20	DIID	
CCCOc1ccc([C@@H](C)N[C@H](C)c2cncs2)cc1OC	159989634	QCAASMMVHCKHED-CHWSQXEVSA-N	320.458	4.352	70	20	DIID	
Cc1cccc(NC(=O)NCCC[C@@H]2CCCC[C@@H]2O)c1Cl	160271117	UGTRKDYDMWTKTC-ZFWWWQNUSA-N	324.852	4.101	70	20	DIID	
CC[C@@H](C)OCC(=O)Nc1ccccc1Oc1cccc(F)c1	160418344	VOUICIFYBSTOSC-CYBMUJFWSA-N	317.360	4.372	70	20	DIID	
Cc1noc(C)c1[C@H](C)CC(=O)N1CCC[C@H]1CCC(C)C	160495053	SYCQWBXNIVJVCH-CJNGLKHVSA-N	306.450	4.212	70	20	DIID	
Cc1ccsc1CCCC(=O)N(C)Cc1ccc(F)c(F)c1	160792677	DJCSUXAVVZPGCZ-UHFFFAOYSA-N	323.408	4.316	70	20	DIID	
CC[C@H](CC(=O)N1CCC[C@@H]1c1ccc(COC)o1)C(C)C	161203355	HBVDWBIKUWRFHP-GDBMZVCRSA-N	307.434	4.162	70	20	DIID	
CCC(CC)N(CC(C)C)CC1CCN(C(=O)C(C)(C)C)CC1	160000959	ITEYWPYIYVMTFN-UHFFFAOYSA-N	324.553	4.418	70	20	DIID	
CCc1ccc(NC(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)cc1	161017016	JGSDMWUQPYELQH-RTBURBONSA-N	324.424	4.291	70	20	DIID	
CC(C)(C)c1ccccc1NC(=O)N[C@H]1CCO[C@H](C2CC2)C1	161026267	KAXFBKZCJPHSRS-YOEHRIQHSA-N	316.445	4.063	70	20	DIID	
Cc1ccc(C)c(OCCCn2nc(C3CC3)nc2C2CC2)c1	161478064	BAOINCAOPNJZKM-UHFFFAOYSA-N	311.429	4.119	70	20	DIID	
Cc1cccc([C@H](NC(=O)c2ccccc2C)c2ccccn2)c1	159774866	WBJAXLUCDGUYLZ-FQEVSTJZSA-N	316.404	4.218	70	20	DIID	
Cc1cccc([C@H](NC(=O)c2cc(C)c(C)o2)c2ccccn2)c1	159965728	LWBVMKWPZZDMRI-IBGZPJMESA-N	320.392	4.119	70	20	DIID	
C[C@@H](C1CC1)N(Cc1ccccc1)Cc1noc2c1CCCC2	217024866	JYQNYSMQASGHKI-HNNXBMFYSA-N	310.441	4.354	70	20	DIID	
Cc1cc(C(=O)N2CCCc3c(F)ccc(C)c32)ccc1F	217046323	SEMILMCAMJLLPM-UHFFFAOYSA-N	301.336	4.175	70	20	DIID	
CC[C@@H](CNC(=O)C1(c2cccc(F)c2)CC1)c1ccccc1	217204258	POHFDDUSAUJSDP-HNNXBMFYSA-N	311.400	4.167	70	20	DIID	
Cc1cnccc1NC(=O)[C@@H](C)Cc1cccc(C(F)(F)F)c1	159391621	YRCIZEXXKQSCTJ-NSHDSACASA-N	322.330	4.226	70	20	DIID	
Cc1cc(NC(=O)C[C@H](C)c2ccncc2)c2ccccc2n1	160533490	LWNAXWTZGJYJNN-ZDUSSCGKSA-N	305.381	4.071	70	20	DIID	
C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCc2sccc2C1	161279769	PTNUXCLWMFVQKL-GFCCVEGCSA-N	319.857	4.165	70	20	DIID	
c1cnc2c(OCc3noc(C4CCCCC4)n3)cccc2c1	160525064	BXHXOYLGJZURMQ-UHFFFAOYSA-N	309.369	4.245	70	20	DIID	
Cc1cc(Cl)ccc1C(=O)N[C@@H]1CCOC2(CCCCC2)C1	160651553	PLGKVXIXENAFTL-OAHLLOKOSA-N	321.848	4.260	70	20	DIID	
CC[C@@H](C(=O)N(C)c1ccc(OC)c(F)c1)c1ccc(F)cc1	161040935	ZRONFUVJDHCUGJ-OAHLLOKOSA-N	319.351	4.130	70	20	DIID	
O=C(CC(F)(F)F)N1CCCC[C@H]1CCCc1ccccc1	161363499	ALADGKJGGVIARO-HNNXBMFYSA-N	313.363	4.343	70	20	DIID	
CC(C)c1ncc(C(=O)N2CCC[C@@H]2c2cccc(F)c2)s1	159422666	GRIPBLZSDGMCDT-CQSZACIVSA-N	318.417	4.383	70	20	DIID	
Cc1cccc2nc(CN[C@@H](C)c3ccc(Cl)s3)cn12	160300849	YLMBBPKTKQDVKH-NSHDSACASA-N	305.834	4.208	70	20	DIID	
CC[C@@H](NC(=O)c1ccc2ccccc2c1)c1c(C)noc1C	160677718	JXEPHOCNJAVXKX-QGZVFWFLSA-N	308.381	4.326	70	20	DIID	
CC[C@@H](NCc1ccc(F)c(COC)c1)c1ccc(F)cc1F	160898368	IGGKKRAFBXHANU-GOSISDBHSA-N	323.358	4.491	70	20	DIID	
CC(C)CCn1ccc(NC(=O)N2CCC3(CCCCC3)C2)n1	160941355	AHAMOLYYBDWBAX-UHFFFAOYSA-N	318.465	4.117	70	20	DIID	
Cc1ccc(C)c(OC(=O)c2cc(C)nc3c2cnn3C(C)C)c1	217162526	ZRSIQCDXOPLHAE-UHFFFAOYSA-N	323.396	4.157	70	20	DIID	
Cc1cc(NC[C@H](c2cccc(F)c2)N(C)C)c2ccccc2n1	218466642	LLENZSMINFOSBS-HXUWFJFHSA-N	323.415	4.397	70	20	DIID	
CCN(CCc1ccccc1)C(=O)Nc1ccnc(C)c1Cl	159712410	ZSWZMZRCFBFYSY-UHFFFAOYSA-N	317.820	4.140	70	20	DIID	
CC[C@@H](C(=O)Nc1cc(F)c(F)cc1F)c1ccc(F)cc1	159810888	PYBCNDQHKARZFC-LLVKDONJSA-N	311.278	4.375	70	20	DIID	
OCC1(CNCc2cc(-c3ccccc3)cs2)CCCC1	160086085	RMUDFGUMZACRPH-UHFFFAOYSA-N	301.455	4.057	70	20	DIID	
CC(C)[C@H](C)N(CC(F)(F)F)C(=O)C[C@H](C)c1ccncc1	160457339	BKQSPRCJMWGUOO-STQMWFEESA-N	316.367	4.011	70	20	DIID	
Cc1ncsc1CN(Cc1ccco1)Cc1cccs1	160663641	JRDLQIRPKHLHSZ-UHFFFAOYSA-N	304.440	4.308	70	20	DIID	
CCn1nccc1CN[C@H](C)C(c1ccccc1)c1ccccc1	159935888	NCNZJKZUKLCNBM-QGZVFWFLSA-N	319.452	4.213	70	20	DIID	
CCCCn1ncc(NC(=O)N2CCC[C@@](C)(CC)C2)c1C	160175189	GCEOIEIFDYGTHH-QGZVFWFLSA-N	306.454	4.036	70	20	DIID	
CCOc1ccccc1OCc1noc(C2CCCCC2)n1	160545351	INVZMQSYXGQBIU-UHFFFAOYSA-N	302.374	4.095	70	20	DIID	
Cc1cccc(NC(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)c1C	160932799	CXNJJRAUQZAUBU-PKOBYXMFSA-N	324.424	4.345	70	20	DIID	
CCOc1ccc(CNC(=O)Nc2cccc(SC)c2)cc1	217300848	IGUMKBSDYORRND-UHFFFAOYSA-N	316.426	4.129	70	20	DIID	
Cc1ccc(Cl)c(NC(=O)C[C@H](C)c2c(C)noc2C)c1	159479039	BCFJSMBMQBPBFD-JTQLQIEISA-N	306.793	4.386	70	20	DIID	
CC[C@@H](NC(=O)Cc1ccc2ccccc2c1)c1c(C)noc1C	160397758	NYGWJFBCAXPPEC-GOSISDBHSA-N	322.408	4.255	70	20	DIID	
CC(C)[C@@H](C)N(CC(F)(F)F)C(=O)C[C@@H](C)c1ccncc1	160456999	BKQSPRCJMWGUOO-CHWSQXEVSA-N	316.367	4.011	70	20	DIID	
Cc1csc([C@H](NC(=O)c2ccc(Cl)cc2C)C2CC2)n1	160628931	RIEFJXYRXRXOOV-CQSZACIVSA-N	320.845	4.294	70	20	DIID	
Cc1ccsc1[C@H]1C[C@H]1C(=O)N(C)Cc1ccc(F)c(F)c1	160793351	QOPRCLIPMVEKDX-QWHCGFSZSA-N	321.392	4.097	70	20	DIID	
Cc1ccc(-c2noc(CSCc3cscn3)n2)cc1F	161251730	KDESVHDAEBRJCR-UHFFFAOYSA-N	321.402	4.074	70	20	DIID	
Cc1ccc(NC(=O)N2CCC[C@H]2c2ccccc2Cl)cn1	161493584	GVXXPUDSLAHZDG-INIZCTEOSA-N	315.804	4.412	70	20	DIID	
CCc1ccc([C@@H](C)NC(=O)[C@H](C)Sc2ccncc2)cc1	159961347	PJWXZOGXVXPVRC-KGLIPLIRSA-N	314.454	4.002	70	20	DIID	
CCC(=O)Nc1ccc(NCc2ccc(Cl)cc2F)cc1	160731875	RMHJNJUNRVBMKC-UHFFFAOYSA-N	306.768	4.440	70	20	DIID	
COc1ccc(-c2cncc(C(=O)N(CC(C)C)C3CC3)c2)cc1	161004063	DZYCIFHSFQFTAM-UHFFFAOYSA-N	324.424	4.018	70	20	DIID	
CCSc1ccc([C@H](C)NCCc2c(C)noc2C)cc1	159440365	MDELSZZVHBACMN-LBPRGKRZSA-N	304.459	4.297	70	20	DIID	
CCC(CC)(CC)NC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1	160890258	WYPLMACHRVGOIJ-SJORKVTESA-N	318.461	4.175	70	20	DIID	
Cc1nc2c(cnn2C(C)C)cc1C(=O)O[C@H](C)c1ccccc1	217052186	VOELYOIVOITABH-CQSZACIVSA-N	323.396	4.239	70	20	DIID	
COc1ccc(N(C)C(=O)c2ccc3ccccc3c2)cc1F	159392586	SEPFRCLAOKWDOK-UHFFFAOYSA-N	309.340	4.264	70	20	DIID	
CCC(CC)(CC)CNC(=O)N1CCC(OC(C)(C)C)CC1	159497903	YFTIYXGMXVGLEY-UHFFFAOYSA-N	312.498	4.192	70	20	DIID	
COc1cccc([C@@H](C)C(=O)N[C@@H]2CCCc3sccc32)c1	159808426	LPNOBTMQQPCMAA-MLGOLLRUSA-N	315.438	4.054	70	20	DIID	
CCCS(=O)(=O)Nc1cccc(N[C@@H](C)c2ccccc2)c1	160975588	INJBBRZNELYPIS-AWEZNQCLSA-N	318.442	4.011	70	20	DIID	
CC[C@@H](N[C@H](C)c1nc(C2CC2)no1)c1ccc(F)cc1F	161022050	XZTZOQQNNVJANW-YMTOWFKASA-N	307.344	4.027	70	20	DIID	
CC(C)(C)[C@H]1CCN(C(=O)c2cc(Cl)c(N)c(Cl)c2)C1	159511040	WXKGWSHQHCSZOI-JTQLQIEISA-N	315.244	4.084	70	20	DIID	
CCS[C@H](C)c1noc(CSCc2cccc(OC)c2)n1	161067329	JKPKUSGSVYWNAZ-LLVKDONJSA-N	324.471	4.326	70	20	DIID	
CSCC[C@@H](C)N(C)c1ncc(Cl)cc1Br	159872366	CQFPSHHRIHRMOZ-MRVPVSSYSA-N	323.687	4.075	70	20	DIID	
Cc1ccc(NC(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)c(C)c1	160934920	QPZVMRPVIFYZPU-PKOBYXMFSA-N	324.424	4.345	70	20	DIID	
COc1ccc2cccc(CC(=O)Nc3cscc3C)c2c1	161179619	ZMNHVVCGOXGCIB-UHFFFAOYSA-N	311.406	4.400	70	20	DIID	
CC[C@@H](C)N(C)CCN[C@@H](C)c1cccc(-c2ccncc2)c1	160151568	YNMDBXNJGKVZSR-SJORKVTESA-N	311.473	4.130	70	20	DIID	
C[C@H]1C[C@@H](Nc2ccc(CCO)cc2)c2ccsc2S1	216997361	QRVBKZNZPGWGAZ-XHDPSFHLSA-N	305.468	4.320	70	20	DIID	
C[C@H](CC(=O)Nc1ccccn1)c1ccccc1C(F)(F)F	159543353	HDVRXIACFSCEMW-LLVKDONJSA-N	308.303	4.233	70	20	DIID	
CCN(Cc1cccs1)C(=O)Nc1ccn(CCC(C)C)n1	159658633	OOTJXZKPSZZUSK-UHFFFAOYSA-N	320.462	4.045	70	20	DIID	
C[C@H]1CSc2ccccc2N(C(=O)c2cccnc2Cl)C1	159666087	UABZNETYLUMZLQ-LLVKDONJSA-N	318.829	4.124	70	20	DIID	
CC(C)[C@H](NC(=O)N(C)C(C)C)c1ccc(C(F)(F)F)cc1	160427105	UBZDTVJXITXLLN-AWEZNQCLSA-N	316.367	4.452	70	20	DIID	
Cc1ccc(NC(=O)C2CC2)cc1NCc1cc(F)cc(F)c1	160443967	GGDWXZIICYWEAN-UHFFFAOYSA-N	316.351	4.234	70	20	DIID	
C[C@@H]1CCCN1C(=O)Nc1ccc(Br)c(Cl)c1	161376894	ZLWCEZJGKAMUEU-MRVPVSSYSA-N	317.614	4.119	70	20	DIID	
CCOc1ccccc1NC(=O)CCCc1sccc1C	160357821	RRAXKIIDUPPDJZ-UHFFFAOYSA-N	303.427	4.417	70	20	DIID	
Cc1cc(Cl)ccc1OC(=O)c1csc([C@H]2CCCO2)n1	160457690	VBWCRLKOCKIBTE-CYBMUJFWSA-N	323.801	4.176	70	20	DIID	
C[C@@H]1Cc2ccc(F)cc2[C@H]1NC1CCN(C2CCCC2)CC1	160514841	WJBLILUIMZTVAA-VLIAUNLRSA-N	316.464	4.056	70	20	DIID	
CCC(=O)c1cccc(NC(=O)c2cc3cc(F)ccc3[nH]2)c1	160733737	SQJNXEPBWNSNBJ-UHFFFAOYSA-N	310.328	4.152	70	20	DIID	
C[C@H](CC(=O)N1CCc2c(F)cccc2C1)c1ccccc1F	160835071	ORCKTSDLSQNQMG-CYBMUJFWSA-N	315.363	4.043	70	20	DIID	
C[C@@H]1CN(C(=O)Nc2ccc(F)cc2C(F)(F)F)CC[C@H]1C	161131685	XBEFCDJKHMAPES-NXEZZACHSA-N	318.314	4.354	70	20	DIID	
CCc1noc(C)c1CNc1ccccc1OC1CCCC1	159403872	ZKWNZKALLQKRAD-UHFFFAOYSA-N	300.402	4.479	70	20	DIID	
CCc1ncsc1C(=O)N1C[C@H](C)CSc2ccccc21	159527300	BSUGHHYKFKWRHT-NSHDSACASA-N	318.467	4.094	70	20	DIID	
C[C@H](Nc1ccccc1O[C@H]1CCOC1)c1cccc(F)c1	159934902	CYCVAFCMZLYPIQ-BBRMVZONSA-N	301.361	4.167	70	20	DIID	
CC[C@@H](NC(=O)CCSc1ccccc1)c1c(C)noc1C	159945392	YSANBNIBCDIQTL-OAHLLOKOSA-N	318.442	4.041	70	20	DIID	
C[C@H]1[C@@H](c2ccccc2)C[C@@H](C)N1C(=O)C[C@@H](C)c1ccncc1	160820329	MXLHYQUZKRYNFP-WWNBULGVSA-N	322.452	4.368	70	20	DIID	
COc1ccccc1-c1noc([C@H]2C[C@H]2c2sccc2C)n1	160855009	BVCZUTRUMGOXGJ-OLZOCXBDSA-N	312.394	4.386	70	20	DIID	
COC(=O)Nc1cccc(NCc2cc(F)cc(Cl)c2)c1	160898715	DCJBJECIWXYFDE-UHFFFAOYSA-N	308.740	4.270	70	20	DIID	
CC[C@@H](C(=O)Nc1cc(F)c(OC)cc1F)c1ccc(F)cc1	161064135	ISSPOWAMTCSCQH-GFCCVEGCSA-N	323.314	4.245	70	20	DIID	
Cc1cc(OCCCOc2cccc3ccccc23)nnc1C	216975513	XMQZULWOVSWLKQ-UHFFFAOYSA-N	308.381	4.095	70	20	DIID	
CCOc1ccc(CNC(=O)Nc2cc(Cl)ccc2C)cc1	217300799	LUYXMZCVDWLLPA-UHFFFAOYSA-N	318.804	4.369	70	20	DIID	
O=C(CCc1ccccc1F)N[C@H]1CCCc2sccc21	159986910	HCVMHIZQACCMSC-HNNXBMFYSA-N	303.402	4.014	70	20	DIID	
COc1cc(C(C)=O)ccc1Sc1nc(C(C)(C)C)ns1	160058255	UCZYSJAFOJFFFO-UHFFFAOYSA-N	322.455	4.198	70	20	DIID	
Cc1cccc([C@@H](NC(=O)CC2CCCC2)c2ccccn2)c1	160189749	WEGZAGYTBNPJSC-HXUWFJFHSA-N	308.425	4.176	70	20	DIID	
FC(F)(F)c1cccnc1N[C@@H]1CCO[C@H](c2ccccc2)C1	160590033	UOLJJHXPIVSNOF-HIFRSBDPSA-N	322.330	4.433	70	20	DIID	
C[C@@H](CC(=O)N1CCc2c(F)cccc2C1)c1ccc(F)cc1	160832586	QLWIQTWEEDFINT-ZDUSSCGKSA-N	315.363	4.043	70	20	DIID	
CC[C@H](NC(=O)Cc1nc(C)sc1C)c1ccc(Cl)cc1	161100007	VNGSPTSNSVBPLS-AWEZNQCLSA-N	322.861	4.223	70	20	DIID	
CCSc1cc(Cl)ccc1C(=O)N(C)c1ncccc1F	161290781	JEHVYQXVXIPWRN-UHFFFAOYSA-N	324.808	4.263	70	20	DIID	
CC[C@H](S[C@@H](C)C(=O)NCC(F)(F)F)c1ccc(F)cc1	161350733	ZGAVJSNWIXDCOL-CABZTGNLSA-N	323.355	4.077	70	20	DIID	
Cc1ccc(C)c(C(=O)Nc2cc(F)ccc2OC(F)F)c1	159454881	RNTXYYGITNDEQY-UHFFFAOYSA-N	309.287	4.296	70	20	DIID	
Cc1nc(NC(=O)c2cncc(-c3ccccc3)c2)sc1C	159668021	PWJDFUQBLJRUPQ-UHFFFAOYSA-N	309.394	4.074	70	20	DIID	
CCc1cccc(C)c1NC(=O)COc1ccc2[nH]ccc2c1	160027349	GHMTXVOIWOOKLM-UHFFFAOYSA-N	308.381	4.056	70	20	DIID	
CC[C@@H](C(=O)N(C)CCc1cccs1)c1ccc(F)cc1	160563997	FJJOMTDFYHPVNF-MRXNPFEDSA-N	305.418	4.082	70	20	DIID	
CCN(C(=O)C[C@H](C)SC)[C@H](C)c1cc2ccccc2o1	160950315	QSOYXOANSJZGAN-QWHCGFSZSA-N	305.443	4.484	70	20	DIID	
Cc1cc(NC(=O)[C@H](OC(C)(C)C)c2ccccc2)ccc1O	161107462	ZTZDOIMSQGHQTH-QGZVFWFLSA-N	313.397	4.196	70	20	DIID	
CCOc1ccc(C(C)=O)cc1CN(C)C1CCCCCC1	217393015	WIZGVGUBTYMYRG-UHFFFAOYSA-N	303.446	4.443	70	20	DIID	
CC(C)(CCC(=O)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)c1ccccc1	159984336	GNSXTCDLGMTRQT-HLAWJBBLSA-N	319.448	4.199	70	20	DIID	
O=C(NC1(c2nccs2)CCCC1)c1ccc(F)c(Cl)c1	160458435	DVNMGZPRVXAQEX-UHFFFAOYSA-N	324.808	4.135	70	20	DIID	
CCOCCC1(CNC(=O)[C@@H](c2ccccc2)C(C)C)CCC1	160888598	OOHBZMJSKOJKAV-GOSISDBHSA-N	317.473	4.139	70	20	DIID	
C[C@H](N[C@@H]1CCC[C@H](N(C)C)C1)c1cccc(-c2ccncc2)c1	161140898	ZEDLAGLFIOBIRS-DQLDELGASA-N	323.484	4.272	70	20	DIID	
Cc1ccc(CN[C@@H](C)c2nc(-c3ccccc3)cs2)cn1	161318934	JBSVHFAMEUKZRY-AWEZNQCLSA-N	309.438	4.364	70	20	DIID	
CCC[C@H]1CCCN(C(=O)NCc2nc3ccccc3s2)C1	161404425	VBVGERYYHDMJOY-ZDUSSCGKSA-N	317.458	4.018	70	20	DIID	
C[C@@H](c1ccccc1F)N(C)C(=O)c1nc2ccccc2s1	161463173	MWEUTKPIYSDFBS-NSHDSACASA-N	314.385	4.269	70	20	DIID	
Fc1cccc([C@H]2CN(Cc3ccc(F)cc3Cl)CCO2)c1	216703006	BGWLXCWWXPOOHO-QGZVFWFLSA-N	323.770	4.192	70	20	DIID	
CN(CCC1CC1)C(=O)Nc1ccc(OC2CCC2)c(F)c1	159727348	YJBHGWVSAFSNOU-UHFFFAOYSA-N	306.381	4.021	70	20	DIID	
C[C@@H]1CCN(C(=O)Nc2cccc(-c3nccs3)c2)C[C@@H]1C	159854321	GXZDNPVMJJIFIS-OLZOCXBDSA-N	315.442	4.320	70	20	DIID	
Cc1c(C(=O)N(C)c2ccc3c(c2)OCO3)oc2c(C)cccc12	160390731	LWHQUODTWQTDKD-UHFFFAOYSA-N	323.348	4.055	70	20	DIID	
CCc1ccc([C@@H](C)NC2CCN(C3CCCC3)CC2)s1	160509076	TYBKMNUMLSDKIZ-CQSZACIVSA-N	306.519	4.368	70	20	DIID	
CC1(C)C[C@@H](NCc2ccc(SC(F)(F)F)cc2)CCO1	160600262	IIFUDKKCOMOHFT-LBPRGKRZSA-N	319.392	4.346	70	20	DIID	
CCCCN(CC)C(=O)c1cncc(-c2ccc(OC)cc2)c1	160734432	QIPYRDQVZDXCIH-UHFFFAOYSA-N	312.413	4.019	70	20	DIID	
COc1cc(CCC(=O)N[C@H](C)c2ccc(C)o2)ccc1Cl	161171333	NPJMYSBQBJAYJS-GFCCVEGCSA-N	321.804	4.060	70	20	DIID	
Cc1ccc(C[C@@H]2CCCN2Cc2ccnc(Cl)c2)cc1	217181846	CBYYBXCTYMJGLE-KRWDZBQOSA-N	300.833	4.251	70	20	DIID	
CC(C)CCn1ccc(NC(=O)N2[C@H]3CCCC[C@@H]3C[C@H]2C)n1	159684390	ACVZIWMUYPMKHQ-OAGGEKHMSA-N	318.465	4.114	70	20	DIID	
CCCCn1ncc(NC(=O)N(CC)C2CCCCC2)c1C	160146804	MLTOFTYJZLTDAL-UHFFFAOYSA-N	306.454	4.178	70	20	DIID	
Cc1cccc2nc(CN[C@@H]3CCCCc4ccccc43)cn12	160330535	UYJAIFVOOSFKAS-LJQANCHMSA-N	305.425	4.200	70	20	DIID	
Cc1noc(C)c1[C@@H](C)CC(=O)NCC(C)(C)C1CCCC1	161453031	QGKKXJQFCJIXCH-LBPRGKRZSA-N	306.450	4.118	70	20	DIID	
Cc1ccccc1CCNC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2	217315695	CPLWYOIFHOKONO-XLIONFOSSA-N	314.473	4.148	70	20	DIID	
CCCCCc1ccc(NC(=O)[C@@H]2CCC(=O)C[C@H]2C)cc1	159621958	MYZRPRMEKKOOMU-RDTXWAMCSA-N	301.430	4.363	70	20	DIID	
CC(C)Oc1ccc(CN[C@@H](C)c2ccc(Cl)s2)cn1	160048467	MXFAEHNBOKTLSY-NSHDSACASA-N	310.850	4.435	70	20	DIID	
CC(C)C[C@@H](C)Oc1cc(CN[C@H](C)c2ccco2)ccn1	160823113	VXRYGGYRJGFJKG-HUUCEWRRSA-N	302.418	4.339	70	20	DIID	
CO[C@@H](CNC(=O)c1ccc(C)c(C)c1)c1ccccc1Cl	218312451	DMGNMTHKHJJEEX-KRWDZBQOSA-N	317.816	4.074	70	20	DIID	
Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N1CCC[C@@H](C(C)(C)C)CC1	160282618	HKEUGYZROLJUIN-XJKSGUPXSA-N	319.493	4.195	70	20	DIID	
CC[C@@H](C)NC(=O)c1cccc(CN[C@H](C)c2ccc(C)cc2)c1	161139816	WCMRZNKNQZZBLL-IAGOWNOFSA-N	324.468	4.374	70	20	DIID	
Cc1cccc([C@@H](C)C(=O)Nc2ccc(-c3cc[nH]n3)cc2)c1	159519583	MLXRTKHDCUERJP-CQSZACIVSA-N	305.381	4.127	70	20	DIID	
CCOc1ccc(NC(=O)C[C@@H](C)c2ccncc2)cc1Cl	160117773	XPYAZKJGGCKIIR-GFCCVEGCSA-N	318.804	4.266	70	20	DIID	
COc1ccc([C@@H](C)N(C)C(=O)c2ccc(C(C)C)nc2)cc1	160742857	PURBKULBBWLPGQ-CQSZACIVSA-N	312.413	4.047	70	20	DIID	
CC(C)(C)c1ccccc1NC(=O)N[C@@H]1CCO[C@H](C2CC2)C1	161026137	KAXFBKZCJPHSRS-PBHICJAKSA-N	316.445	4.063	70	20	DIID	
Cc1ccc(C(=O)OC2c3ccccc3-c3ccccc32)n1C	216817597	YKXLXDLKHBVWLD-UHFFFAOYSA-N	303.361	4.260	70	20	DIID	
Cc1cccc(NC(=O)NC(c2ccccc2)c2ccccc2)n1	217269838	DFSZEBNEWSRDHT-UHFFFAOYSA-N	317.392	4.301	70	20	DIID	
CC(C)OCc1ccc(NC(=O)N2CC[C@@H](C)[C@H](C)C2)cc1	160198766	ASWAWJKSAHVXEU-HUUCEWRRSA-N	304.434	4.121	70	20	DIID	
COc1cccc2cc([C@@H](C)N[C@@H]3CCOC(C)(C)C3)oc12	159953569	UFDLPYGRNDBWDZ-TZMCWYRMSA-N	303.402	4.050	70	20	DIID	
CCc1noc(C)c1CS[C@H](C)C(=O)Nc1ccccc1C	159977160	WXYFTYIMKIEYFE-CYBMUJFWSA-N	318.442	4.114	70	20	DIID	
Cc1cc(C)c(NC(=O)[C@H](C)Sc2ccncc2)c(Cl)c1	159980076	GHGGXNYHPJKDHB-LBPRGKRZSA-N	320.845	4.471	70	20	DIID	
Cc1ccc(Cl)c(OC(=O)c2csc([C@@H]3CCCO3)n2)c1	160450963	NWXLHIBXLXMHBF-LBPRGKRZSA-N	323.801	4.176	70	20	DIID	
COCCOc1cccc(NCc2cc(F)cc(Cl)c2)c1	160899427	RZOAHBICHYYFMM-UHFFFAOYSA-N	309.768	4.116	70	20	DIID	
Fc1ccc(NCc2noc(C3CCCCC3)n2)c(F)c1F	161148476	ASWVNBXSNFERRY-UHFFFAOYSA-N	311.307	4.147	70	20	DIID	
Cc1c(COC(=O)[C@H]2CCOc3ccccc32)oc2ccccc12	217202472	JWSSNHIXFGIRSC-INIZCTEOSA-N	322.360	4.351	70	20	DIID	
CCc1ccc([C@@H](C)NC(=O)NCc2ccccc2Cl)cc1	217314089	PJRLFYVFSABEQM-CYBMUJFWSA-N	316.832	4.463	70	20	DIID	
CC(C)CSCCCNC(=O)Nc1ccc(F)c(F)c1F	159364047	OZERTQMMYSDVLE-UHFFFAOYSA-N	320.380	4.005	70	20	DIID	
COc1ccc(CN(C)C(=O)CCCc2sccc2C)cc1	159404481	QLOPSDAGKICBGJ-UHFFFAOYSA-N	317.454	4.046	70	20	DIID	
CCCCn1ncc(C(=O)N2CCC[C@H]2c2cccs2)c1C	160013658	BDULINOZDMGVPE-HNNXBMFYSA-N	317.458	4.030	70	20	DIID	
CC(C)c1ccc(C(=O)Nc2ccccc2OC(F)(F)F)cn1	160303985	CNEPKIUZIKIDIM-UHFFFAOYSA-N	324.302	4.356	70	20	DIID	
C[C@@H](CC(=O)NCc1ccc(C(C)(C)C)cc1)c1ccncc1	159501251	LGGUIGJALWPEOY-HNNXBMFYSA-N	310.441	4.189	70	20	DIID	
C[C@@H](CC(=O)Nc1scnc1-c1ccccc1)c1ccncc1	160293304	RCDAWPCXNOYUON-ZDUSSCGKSA-N	323.421	4.337	70	20	DIID	
C[C@@H]1Cc2ccc(F)cc2[C@@H]1NC1CCN(C2CCCC2)CC1	160514616	WJBLILUIMZTVAA-JLTOFOAXSA-N	316.464	4.056	70	20	DIID	
C[C@@H]1CCC[C@@](CNCc2cc(Cl)ccc2F)(N(C)C)C1	160790299	GNZGYYKYOFLFTE-CXAGYDPISA-N	312.860	4.079	70	20	DIID	
C[C@H](CC(=O)N1CCc2c(F)cccc2C1)c1cccc(F)c1	161056234	GCINVDHBJNDIJK-CYBMUJFWSA-N	315.363	4.043	70	20	DIID	
CC(C)CC[C@@H]1CCCN1C(=O)c1csc([C@@H]2CCCO2)n1	160078749	JIXNVBDFXDEILN-ZFWWWQNUSA-N	322.474	4.035	70	20	DIID	
Cc1ccc([C@H]2CSCCN2Cc2ccnc(Cl)c2)cc1	217223377	XMILKRGOZONJLT-MRXNPFEDSA-N	318.873	4.334	70	20	DIID	
CC(C)OCc1ccc(NC(=O)C[C@@H](C)c2ccncc2)cc1	160227782	SIRPPTRORHGXGJ-OAHLLOKOSA-N	312.413	4.139	70	20	DIID	
C[C@@H](c1nc(COc2ccccc2)no1)c1c(F)cccc1F	160801587	VZKWSACEQXCQLR-LLVKDONJSA-N	316.307	4.079	70	20	DIID	
Cc1cccc(-c2cncc(C(=O)Nc3ncc(C)s3)c2)c1	161118288	PQLRIYVAYNHVSK-UHFFFAOYSA-N	309.394	4.074	70	20	DIID	
O=C(Nc1ccc2[nH]ncc2c1)C1(c2ccccc2)CCCC1	218637323	APUPFOSOQMYNBX-UHFFFAOYSA-N	305.381	4.013	70	20	DIID	
Cc1ccc(NC(=O)c2cc(C)ccc2Br)c(O)c1	159568625	JEWHMEUWZNBKGL-UHFFFAOYSA-N	320.186	4.024	70	20	DIID	
COCc1ccc(C(=O)N[C@H](C)c2cccc3ccccc23)o1	159809230	XDLADLDAVREINA-CYBMUJFWSA-N	309.365	4.070	70	20	DIID	
Cc1cccc(C)c1NC(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1	161065005	WNGDGQQIRMJYNI-QZTJIDSGSA-N	324.424	4.345	70	20	DIID	
COCc1ccc([C@@H]2CCCN2C(=O)[C@H](C)CC2CCCC2)o1	161304279	HZQABEDBFUMKCK-PBHICJAKSA-N	319.445	4.306	70	20	DIID	
CCc1ccc(C(C)(C)CNC(=O)C[C@@H](C)c2ccncc2)cc1	161316359	OLYSGKSJUCYSHO-MRXNPFEDSA-N	324.468	4.232	70	20	DIID	
Cc1cc(C(=O)O[C@H](c2ccccn2)C(F)(F)F)sc1C	159853083	OJKWUNPKAGWXMS-GFCCVEGCSA-N	315.316	4.220	70	20	DIID	
CN(CCC1CC1)C(=O)Nc1cccc(Oc2ccccn2)c1	159420522	MHHADFBECOOUDM-UHFFFAOYSA-N	311.385	4.138	70	20	DIID	
COc1ccc(N(C)C(=O)c2cc3cc(C)ccc3o2)cc1F	159665546	HRQWNGAFPHYWHN-UHFFFAOYSA-N	313.328	4.166	70	20	DIID	
CCSc1cc(Cl)ccc1C(=O)Nc1ccncc1C	159873257	JCGRNQKHQXCRJK-UHFFFAOYSA-N	306.818	4.408	70	20	DIID	
COc1ccc(N(C)C(=O)c2ccc(C)c(C)c2)cc1Cl	159990039	WHEVSOQJLBKBLP-UHFFFAOYSA-N	303.789	4.242	70	20	DIID	
O=C(CCCc1cccs1)N[C@H]1CCCc2sccc21	160043763	SNYZHJHJBIRDAG-AWEZNQCLSA-N	305.468	4.326	70	20	DIID	
CN(CC1CCN(C(=O)C(C)(C)C)CC1)C1CCC(C)(C)CC1	160117787	NANRNOIFXLHDIC-UHFFFAOYSA-N	322.537	4.172	70	20	DIID	
CC[C@@H]1CCCC[C@@H]1N(C)C(=O)c1nc(C(C)C)ncc1Cl	160987192	HVRMLIHFVVEZGJ-OCCSQVGLSA-N	323.868	4.294	70	20	DIID	
Cc1cc(C(=O)N2CCCC[C@H]2CCCc2ccccc2)no1	161153079	LXZOJGHZTYOCBW-KRWDZBQOSA-N	312.413	4.001	70	20	DIID	
C[C@@H]1C[C@H](NC[C@@H](Cc2ccccc2)c2ccccc2)CCN1C	161238569	QJXAZRMZIFLUNI-STZQEDGTSA-N	322.496	4.085	70	20	DIID	
CN(C(=O)OC(C)(C)C)c1ccc(OCc2nccs2)cc1	161380436	IQVIKDVLRTWSTR-UHFFFAOYSA-N	320.414	4.093	70	20	DIID	
COc1ccc(N(C)C(=O)c2sccc2C(C)C)cc1F	159525927	OTCMZLANFMZFCZ-UHFFFAOYSA-N	307.390	4.296	70	20	DIID	
CCCCn1ncc(NC(=O)N2CCC3(CCCCC3)C2)c1C	159659521	SICYCZMBQLYCGU-UHFFFAOYSA-N	318.465	4.180	70	20	DIID	
Cc1nc(C)c([C@@H](C)N(C)C(=O)C2CCC(C)(C)CC2)s1	160108295	SLNBIOKDRWZRNG-GFCCVEGCSA-N	308.491	4.496	70	20	DIID	
CCC(=O)Nc1ccc(C)c(NCc2cc(F)cc(F)c2)c1	160443539	KOVQRWCHOASXCW-UHFFFAOYSA-N	304.340	4.234	70	20	DIID	
Cc1cc2cc(C(=O)N(C)c3ccc4c(c3)OCO4)oc2cc1C	160506198	RKVWGABIUOHINS-UHFFFAOYSA-N	323.348	4.055	70	20	DIID	
Clc1nc2ccccn2c1CN[C@@H]1CCCc2sccc21	160971070	IVBFIVQYFCAIAL-GFCCVEGCSA-N	317.845	4.216	70	20	DIID	
Cc1ccc(Br)c(C(=O)Nc2cccc(C)c2O)c1	159877257	POZJQCKNZYPQKR-UHFFFAOYSA-N	320.186	4.024	70	20	DIID	
Cc1cccc(C(=O)N[C@H](c2cccc(C)c2)c2ccccn2)c1	160031062	JOBAIZNXBXZJJR-HXUWFJFHSA-N	316.404	4.218	70	20	DIID	
C[C@@H](CC(=O)N[C@H]1CCOC2(CCCC2)C1)C1CCCCC1	160118310	CMRKTEMWYZMHNJ-RDJZCZTQSA-N	307.478	4.201	70	20	DIID	
CC[C@@H](NCc1cccc(Cn2cccn2)c1)c1ccc(F)cc1	160805401	VJOQQYWZPBIUQV-HXUWFJFHSA-N	323.415	4.311	70	20	DIID	
Cc1cccc(F)c1NS(=O)(=O)c1ccc2ccccc2c1	160818991	ZSVLCEOFMIVIQF-UHFFFAOYSA-N	315.369	4.088	70	20	DIID	
CCCCc1ccc(NC(=O)NCc2cccc(F)c2)cc1	217314700	MNAFHQDXJSFUPR-UHFFFAOYSA-N	300.377	4.490	70	20	DIID	
CCC(CC)n1nccc1C(=O)N(C1CC1)[C@H](C)c1ccco1	159424424	YKPUTYBJGTVRGY-CYBMUJFWSA-N	315.417	4.203	70	20	DIID	
CCOCc1cccc(NC(=O)[C@@H](CC)c2ccc(F)cc2)c1	159648864	HZYBPSISNRWHMA-SFHVURJKSA-N	315.388	4.495	70	20	DIID	
COc1ccc(N(C)C(=O)[C@H](C)c2cccc(F)c2)cc1Cl	160145352	KMJFLUCZAMAJHJ-LLVKDONJSA-N	321.779	4.254	70	20	DIID	
C[C@H](c1nc(Cc2ccccc2)no1)c1c(F)cccc1F	160803655	KVJCFHVEOSSTET-NSHDSACASA-N	300.308	4.090	70	20	DIID	
C[C@@H](Cc1ccc(Cl)cc1)C(=O)N1CCc2sccc2C1	161279651	PTNUXCLWMFVQKL-LBPRGKRZSA-N	319.857	4.165	70	20	DIID	
CC[C@@H]1CCCC[C@H]1N(C)C(=O)c1csc(-c2ccoc2)n1	161308895	DQSBVIBLEPRYEG-IUODEOHRSA-N	318.442	4.444	70	20	DIID	
CCc1ccc(CS[C@@H](C)C(=O)NCc2cccs2)cc1	217229529	DSAFJGZJGWMSTG-ZDUSSCGKSA-N	319.495	4.249	70	20	DIID	
Cc1ccc(NC(=O)C[C@@H](C)c2ccncc2)c2cccnc12	159380252	JUICXDOGDNXCQW-CQSZACIVSA-N	305.381	4.071	70	20	DIID	
CCCC(=O)Nc1cccc(CN[C@@H](C)c2cccs2)c1	159893130	VHMDBOZCZCDIQR-ZDUSSCGKSA-N	302.443	4.338	70	20	DIID	
C[C@@H](N[C@@H]1CCOC(C)(C)C1)c1ccc(OC(F)(F)F)cc1	159931204	QFHBGOWAINXKDV-DGCLKSJQSA-N	317.351	4.193	70	20	DIID	
Cc1cccc([C@H](NC(=O)C[C@@H]2CC[C@H](C)C2)c2ccccn2)c1	159962954	IDYLZAVOUDSIJB-FVJLSDCUSA-N	322.452	4.422	70	20	DIID	
Brc1ccc(CN[C@@H]2CC=CCC2)c2ncccc12	160332312	BRHQGUPILZNMCX-CYBMUJFWSA-N	317.230	4.196	70	20	DIID	
CSc1cc(C(=O)Nc2ccc3[nH]ccc3c2)ccc1F	161094571	WNXMMMUZYZCILI-UHFFFAOYSA-N	300.358	4.281	70	20	DIID	
CC[C@H]1CCCC[C@H]1N(C)C(=O)c1occc1Br	161200162	VDMBBILMQJZJOQ-CMPLNLGQSA-N	314.223	4.083	70	20	DIID	
C[C@H]1CSc2ccccc2N(C(=O)c2ccc(Cl)nc2)C1	159682896	VNNVORYLEBUTDN-LLVKDONJSA-N	318.829	4.124	70	20	DIID	
Cc1nccc(NC(=O)N2CCc3ccccc3[C@@H]2C)c1Cl	159727875	WRDKISVMSLXNMJ-LBPRGKRZSA-N	315.804	4.195	70	20	DIID	
CCC[C@H]1CCCN(C(=O)c2cnn(CC(C)C)c2C2CC2)C1	159852979	LIXJMELABGQFFG-HNNXBMFYSA-N	317.477	4.069	70	20	DIID	
C[C@H]1CC[C@H](CC(=O)O[C@@H](c2ccccn2)C(F)(F)F)C1	160102682	KAPXPKWBEWQHBD-MJVIPROJSA-N	301.308	4.055	70	20	DIID	
CCC[C@@H](C(=O)N[C@H](CC)c1c(C)noc1C)c1ccccc1	160333108	PSLXTSBHZKHDPK-IAGOWNOFSA-N	314.429	4.443	70	20	DIID	
COc1ccc(-c2cncc(C(=O)N3[C@H](C)CCC[C@H]3C)c2)cc1	160884756	GJDHZWJSNPNKEP-HUUCEWRRSA-N	324.424	4.160	70	20	DIID	
O=C(NCCCCc1ccccc1)NCc1ccccc1Cl	217314205	ZKFQKLPPCPMNQG-UHFFFAOYSA-N	316.832	4.162	70	20	DIID	
O=C(CCCn1cccc1)Nc1cccc(Oc2ccccn2)c1	159750796	OTZNJTOOKZNODX-UHFFFAOYSA-N	321.380	4.094	70	20	DIID	
Cc1ccc(C(N)=O)cc1NCc1cc(Cl)cc(Cl)c1	160050134	ZEIVIHKGUGDEFI-UHFFFAOYSA-N	309.196	4.013	70	20	DIID	
C[C@@H](CC1CCCCC1)C(=O)N[C@@H]1CCOC2(CCCC2)C1	160134989	FYYDIIKZDNUIBA-DOTOQJQBSA-N	307.478	4.201	70	20	DIID	
COc1ccc(CCCC(=O)Nc2cscc2C)c(OC)c1	161179998	JNPNPEBTRDDEKN-UHFFFAOYSA-N	319.426	4.035	70	20	DIID	
O=C(NCCC1CCCCC1)Nc1ccc(F)c(F)c1F	217305247	CHMWBHBADZTDCM-UHFFFAOYSA-N	300.324	4.196	70	20	DIID	
CC[C@H](C(=O)NCc1cccc2cccnc12)c1ccc(F)cc1	159504470	AYFLZJOSYKKPGR-SFHVURJKSA-N	322.383	4.184	70	20	DIID	
CCCn1nccc1CNc1ccc(Br)cc1CC	160182604	RJIWKTDJZBTTTE-UHFFFAOYSA-N	322.250	4.230	70	20	DIID	
CCCCn1ncc(NC(=O)N2CCCCC[C@@H]2CC)c1C	160254228	UULGBZWKCSOPJC-HNNXBMFYSA-N	306.454	4.178	70	20	DIID	
CSC[C@H]1CCCN1C(=O)CCC(C)(C)c1ccccc1	160532136	KFVSUXDHCFPYHP-MRXNPFEDSA-N	305.487	4.098	70	20	DIID	
Cc1csc(CCCCN[C@H]2CCc3ccc(F)cc32)n1	160682691	HVLDSSSGALJRSD-INIZCTEOSA-N	304.434	4.190	70	20	DIID	
CC1(C)C[C@H](NC(=O)Nc2cc(Cl)cc(Cl)c2)CCO1	160744508	YCLGDBVZUYCPDJ-LLVKDONJSA-N	317.216	4.073	70	20	DIID	
CC(C)N(Cc1noc(-c2ccsc2)n1)C1CCCCC1	160815344	VXQUFSASPAOSFS-UHFFFAOYSA-N	305.447	4.341	70	20	DIID	
COc1ccccc1SCc1nc(-c2cccc(F)c2)no1	160856681	ADJUTALOQQFRJX-UHFFFAOYSA-N	316.357	4.177	70	20	DIID	
CCCn1nc(C)c(CN[C@H]2CCCc3sccc32)c1C	160985062	ADHFUXIIPIIFHT-INIZCTEOSA-N	303.475	4.139	70	20	DIID	
Cc1cccc(OC(F)F)c1NC(=O)N1CC[C@H](C)[C@H](C)C1	161171936	RXHSMURRMPCLDR-CMPLNLGQSA-N	312.360	4.106	70	20	DIID	
CCC(CC)[C@H](NC1CCC(NC(C)=O)CC1)c1ccccc1	161335611	AXERCNYNNPCOJD-MHJFOBGBSA-N	316.489	4.201	70	20	DIID	
C[C@H]1C[C@H](C)CN(C(=O)Nc2ccc(C(F)(F)F)cc2)C1	217312894	OIFMVWSHOPSCKB-QWRGUYRKSA-N	300.324	4.215	70	20	DIID	
CC[C@@H](NC(=O)c1ccc2nc(C)ccc2c1)c1c(C)noc1C	159992947	JSUNUCSNEUXACB-MRXNPFEDSA-N	323.396	4.029	70	20	DIID	
CC(C)Oc1ccc(CN[C@@H]2c3cc(F)ccc3C[C@@H]2C)cn1	160110530	KQAUUQIIONPOAL-DJJJIMSYSA-N	314.404	4.031	70	20	DIID	
CC(C)c1ccc([C@H]2CCCCN2C(=O)[C@@H]2CCCO2)cc1	160346928	WJWYQIXLFQOISO-MSOLQXFVSA-N	301.430	4.043	70	20	DIID	
CC[C@@H](NCc1ccc(N2CCCC2)nc1)c1ccc(F)cc1	160720131	YJZVGAGGUOKEAV-GOSISDBHSA-N	313.420	4.062	70	20	DIID	
Cc1ccsc1[C@@H]1C[C@@H]1c1nc(COc2ccccc2)no1	160871695	OMDMEJTYQDVJEX-KGLIPLIRSA-N	312.394	4.290	70	20	DIID	
O=C(NCc1nc(C2CC2)cs1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	159766986	JGNLBGJUFVVOAA-NWANDNLSSA-N	318.486	4.243	70	20	DIID	
COc1ccc(Cl)c(NC(=O)/C=C/c2ccc(Cl)nc2)c1	160312379	COHBTTLPRXDRKI-XVNBXDOJSA-N	323.179	4.049	70	20	DIID	
Cc1ccc(C)c(CC(=O)O[C@H](c2ccccn2)C(F)(F)F)c1	160478018	ONIXOTUMACWQFL-MRXNPFEDSA-N	323.314	4.088	70	20	DIID	
C[C@@H](NC(=O)Nc1cccc2[nH]ccc12)c1cccc(F)c1F	160821035	RBKAYFOZMNTDSJ-SNVBAGLBSA-N	315.323	4.329	70	20	DIID	
CCC(=O)Nc1ccc(C)c(NC(=O)Nc2cscc2C)c1	160865701	MVLFQKHYUFMHNG-UHFFFAOYSA-N	317.414	4.357	70	20	DIID	
COCc1ccc([C@@H]2CCCN2C(=O)C[C@@H](C)CC(C)C)o1	161263160	IFZPSQWBNWWOSO-HOCLYGCPSA-N	307.434	4.162	70	20	DIID	
CC(C)c1ccc(C(=O)N[C@H]2CCOC3(CCCC3)C2)cc1	159675729	NLINEUAVRVFVFW-KRWDZBQOSA-N	301.430	4.032	70	20	DIID	
Cc1cscc1NC(=O)Nc1ccccc1N1CCCC1	159891050	PQBBLVFVEONCNR-UHFFFAOYSA-N	301.415	4.301	70	20	DIID	
C[C@H]1CCc2nc(CN[C@H]3CCCc4sccc43)sc2C1	160993540	ARBJAMRRGRKMQM-AAEUAGOBSA-N	318.511	4.497	70	20	DIID	
C[C@@H]1C[C@H]1[C@H](NC(=O)CCCCCCN)c1ccc(Cl)cc1	161293535	RZZLRYUEXLABOM-MZMPZRCHSA-N	322.880	4.063	70	20	DIID	
CC[C@@H]1CCCC[C@H]1N(C)C(=O)c1sc([C@@H](C)OC)nc1C	161325451	FQFDOZMZSKNUFG-MGPQQGTHSA-N	324.490	4.200	70	20	DIID	
C[C@H]1C[C@H](Nc2ccc(CCO)cc2)c2ccsc2S1	216997352	QRVBKZNZPGWGAZ-NHYWBVRUSA-N	305.468	4.320	70	20	DIID	
C[C@@H](Cc1ccccc1)C(=O)Nc1cc(F)ccc1OC(F)F	159422304	CTRSQDDOHQFCRE-NSHDSACASA-N	323.314	4.244	70	20	DIID	
Cc1nc(NC(=O)[C@@H](C)c2ccc(Cl)s2)cc(C2CC2)n1	160023180	VRGQZGBZAOUQBL-QMMMGPOBSA-N	321.833	4.120	70	20	DIID	
CCCCn1ncc(NC(=O)N2CCC[C@](C)(CC)C2)c1C	160175257	GCEOIEIFDYGTHH-KRWDZBQOSA-N	306.454	4.036	70	20	DIID	
CC(C)N(CC(F)F)C(=O)[C@@H](C)Cc1ccccc1Cl	160510506	ZNXYPBRABBSEEA-NSHDSACASA-N	303.780	4.021	70	20	DIID	
O=C(Nc1cccnc1Cl)C1(Cc2ccccc2)CCC1	160606095	QBFCSSWCNDAANN-UHFFFAOYSA-N	300.789	4.087	70	20	DIID	
CC[C@@H](NCC(=O)N(C(C)C)C(C)C)c1ccc(Cl)cc1	218208532	UTBYYLSYVICGKG-MRXNPFEDSA-N	310.869	4.026	70	20	DIID	
COc1ccccc1-c1nnc(CNC(C)(C)CC(C)(C)C)o1	159360996	JXYIQVVKTHGVEA-UHFFFAOYSA-N	317.433	4.050	70	20	DIID	
CCOCCOCc1cccc(NC(=O)C(C)(CC)CC)c1C	159391691	QQEAEMKKNBQTPS-UHFFFAOYSA-N	321.461	4.313	70	20	DIID	
CCc1ccc(-c2noc(CSCc3cscn3)n2)cc1	161337384	PCSXRRREMMNYPI-UHFFFAOYSA-N	317.439	4.189	70	20	DIID	
COc1csc(C(=O)N2C[C@H](C)CSc3ccccc32)c1	159663992	DZINRGNVZJVHLC-NSHDSACASA-N	319.451	4.145	70	20	DIID	
Cc1ccccc1[C@H](C)NCc1nnc(-c2ccccc2)s1	159798704	FIOAHNYXYBFBTO-AWEZNQCLSA-N	309.438	4.364	70	20	DIID	
CC(C)c1cnc(SCc2noc(C3CCCCC3)n2)n1C	159860202	HSRBORRMZOZPJE-UHFFFAOYSA-N	320.462	4.267	70	20	DIID	
CC[C@@H](OC1CCCCC1)C(=O)Nc1ccc2oc(C)nc2c1	159983812	CNUSQPLGVAWMBW-MRXNPFEDSA-N	316.401	4.203	70	20	DIID	
CCC(C)(CC)C(=O)N1CCC(OCc2ccccc2F)CC1	159415400	BZFDMWICWGIBMY-UHFFFAOYSA-N	321.436	4.160	70	20	DIID	
CCS[C@@H]1CCC[C@@H](N[C@@H]2CCCc3nc(C)sc32)C1	159431269	FHZGJYPCYXGFGY-UMVBOHGHSA-N	310.532	4.483	70	20	DIID	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)N(C)Cc1ccccc1Cl	159439289	BCDOBAXKNZJZBM-KBPBESRZSA-N	319.857	4.472	70	20	DIID	
O=C(NCc1ccccc1Cl)Nc1c(F)cccc1Cl	217313064	JJFCRMRHHHGFBC-UHFFFAOYSA-N	313.159	4.454	70	20	DIID	
Cc1[nH]c2ccccc2c1C1CCN(C(=O)[C@@H]2CC2(C)C)CC1	159881064	WZFHBZCFFYHCGX-INIZCTEOSA-N	310.441	4.228	70	20	DIID	
CCCn1nccc1CN[C@@H](c1ccc(Cl)cc1)C(C)C	160026388	QPOVSEALIIQTBI-QGZVFWFLSA-N	305.853	4.433	70	20	DIID	
CC[C@@H](C)CN(CC)[C@@H](C)c1nnc(-c2ccc(C)cc2)o1	160544803	CDWNNWVFZBZVMK-HIFRSBDPSA-N	301.434	4.474	70	20	DIID	
CC(=O)c1ccc(F)cc1OCc1noc(C2CCCCC2)n1	160084097	LDCCVQSTRSMZNF-UHFFFAOYSA-N	318.348	4.038	70	20	DIID	
CCC(=O)c1cccc(NC(=O)c2cc3c(F)cccc3[nH]2)c1	160750320	HQTDDWHAMGRPHR-UHFFFAOYSA-N	310.328	4.152	70	20	DIID	
CC[C@H](N[C@H](CCCO)c1ccccc1)c1ccc(OC)cc1	160769266	MSPKJQSBAOLLOI-VQTJNVASSA-N	313.441	4.250	70	20	DIID	
COc1cccc([C@@H]2CCCN2C(=O)c2ccc(C(C)C)nc2)c1	161386068	ADCQBIZQBINDMH-IBGZPJMESA-N	324.424	4.191	70	20	DIID	
CC[C@H](Sc1ccccc1)C(=O)Nc1ccc2c(c1)CCO2	217116310	WFSMHFXWFPAPLG-KRWDZBQOSA-N	313.422	4.131	70	20	DIID	
CS[C@@H]1CCC[C@@H](NCc2cccc3c2OC(C)(C)C3)C1	217811886	NUPODOGEQDKSGF-HZPDHXFCSA-N	305.487	4.164	70	20	DIID	
CCOc1ccc(NC(=O)CCc2ccc(F)cc2F)c(C)c1	159753258	KUORVXLOPVDHNY-UHFFFAOYSA-N	319.351	4.243	70	20	DIID	
CC[C@H](NC(=O)C[C@H](C)c1ccccc1)c1c(C)noc1C	160578749	QKIVUSPAEFMHLE-LRDDRELGSA-N	300.402	4.053	70	20	DIID	
CSCCc1ccc(NC(=O)N2CC[C@H](C)[C@H](C)C2)cc1	161060425	AFXBPRMSAQVIIS-UONOGXRCSA-N	306.475	4.102	70	20	DIID	
CC(C)c1ccccc1NC(=O)CN1CC[C@@H]2CCCC[C@@H]21	159670449	KZCKMWFZOOONRM-YJBOKZPZSA-N	300.446	4.013	70	20	DIID	
C[C@@H]1CN(C(=O)Nc2cc(F)c(F)cc2F)[C@H]1c1ccccc1	159741621	GLJBSALVOQUZNJ-QLJPJBMISA-N	320.314	4.329	70	20	DIID	
CC[C@@H](NC(=O)C[C@@H](C)c1ccc(F)cc1)c1c(C)noc1C	160071926	WOCJRARUIGTJJM-BDJLRTHQSA-N	318.392	4.192	70	20	DIID	
Cc1noc(C)c1CCSCc1noc(C2CCCCC2)n1	160159483	HMBYXHMCFDMROW-UHFFFAOYSA-N	321.446	4.198	70	20	DIID	
CCNC(=O)c1cccc(CN[C@H](C)c2ccc(Cl)s2)c1	160169133	CPAXSGKWFDJXHL-LLVKDONJSA-N	322.861	4.002	70	20	DIID	
CC(C)c1ccc([C@H]2CCCCN2C(=O)[C@@H]2CCCOC2)cc1	160389939	KASBMJWHIGTRLH-RTBURBONSA-N	315.457	4.290	70	20	DIID	
O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1ccc(Cl)s1	160564573	QAODTYZKSNTXPG-LLVKDONJSA-N	313.850	4.013	70	20	DIID	
CC[C@@H](CC(=O)N1CCC[C@@H]1c1ccc(COC)o1)C(C)C	161203270	HBVDWBIKUWRFHP-GOEBONIOSA-N	307.434	4.162	70	20	DIID	
CCc1cnc(NC(=O)N2CC[C@H](C)C[C@@H]2c2ccco2)s1	161279903	TWTYELXANWFIIW-WCQYABFASA-N	319.430	4.304	70	20	DIID	
Cc1ccc(CCNC(=O)C[C@H](C)c2ccc(C(C)C)cc2)cn1	159791356	NLCXFXZRJCIKNB-INIZCTEOSA-N	324.468	4.366	70	20	DIID	
CCNC(=O)c1cccc(CN[C@@H]2CC[C@@H](C)c3ccccc32)c1	160190231	XWDLTUOTMCCHRP-FOIQADDNSA-N	322.452	4.165	70	20	DIID	
Fc1cc(Cl)ccc1CNc1ccc(N2CCCC2)nc1	160710636	AQQRMNMSGUWBHV-UHFFFAOYSA-N	305.784	4.086	70	20	DIID	
C[C@@H](c1ccco1)N(C)C(=O)NCC1(Cc2ccccc2)CC1	160783866	OPFDLGQLMNGOOD-HNNXBMFYSA-N	312.413	4.005	70	20	DIID	
Cc1cccc(C(=O)Nc2ccc(N(C)C)c(Cl)c2)c1F	161482621	PUNHXYJLNACGJI-UHFFFAOYSA-N	306.768	4.106	70	20	DIID	
CCCCCc1ccc(NC(=O)[C@@H]2CCC(=O)C[C@@H]2C)cc1	159621753	MYZRPRMEKKOOMU-KBXCAEBGSA-N	301.430	4.363	70	20	DIID	
CC[C@H](C)c1cc(C(=O)N(C)c2ccc(OC)c(Cl)c2)on1	159972104	DDQSTEVFRWYVAY-JTQLQIEISA-N	322.792	4.127	70	20	DIID	
CC[C@H](OC1CCCCC1)C(=O)Nc1ccc2oc(C)nc2c1	159983691	CNUSQPLGVAWMBW-INIZCTEOSA-N	316.401	4.203	70	20	DIID	
COc1ccc(C)cc1[C@H](C)NCc1ccc(OC(C)C)nc1	160065310	SQKYBCKYAXTHNG-HNNXBMFYSA-N	314.429	4.037	70	20	DIID	
CCCCn1ncc(NC(=O)N[C@@H]2CCC[C@H](C3CC3)C2)c1C	160171762	LMWRVBRXGXJGSJ-JKSUJKDBSA-N	318.465	4.082	70	20	DIID	
Cc1cccc([C@@H]2CCCN2Cc2ccc(OC(F)F)cc2)n1	160419706	DMTJNOXGLZHGBT-KRWDZBQOSA-N	318.367	4.329	70	20	DIID	
CC1(C)CCC(CC(=O)N(Cc2ccncc2)C2CC2)CC1	160524982	AZEXJAIQJWKJSU-UHFFFAOYSA-N	300.446	4.179	70	20	DIID	
Cc1ccc(CN[C@@H](C)c2ccccc2OC(F)(F)F)cn1	161269057	ISKUYSKMEFZQTC-LBPRGKRZSA-N	310.319	4.139	70	20	DIID	
CO[C@@H](C(=O)N(C)[C@H](C)c1cc2ccccc2o1)c1ccccc1	161348703	AMRHCRJHZPIKFR-AUUYWEPGSA-N	323.392	4.340	70	20	DIID	
CCCCOc1ccc(CCN[C@H](C)c2cncs2)cc1	161388792	NKYCYDNKSVAPKO-CQSZACIVSA-N	304.459	4.215	70	20	DIID	
CC(C)[C@@H](NC(=O)CCc1ccco1)c1ccccc1Cl	217205511	BETZGAGJOHUEHL-QGZVFWFLSA-N	305.805	4.379	70	20	DIID	
CC(C)(C)c1cccc(OS(=O)(=O)Cc2ccc(F)cc2)c1	218267461	ARHVDKDJWQPXEC-UHFFFAOYSA-N	322.401	4.032	70	20	DIID	
CC[C@H](N[C@@H]1CCCSC1)c1ccccc1OC(F)F	159615615	QLHHKPOINMJGLJ-YPMHNXCESA-N	301.402	4.224	70	20	DIID	
C[C@@H](Nc1ccccc1O[C@@H]1CCOC1)c1ccc(F)cc1F	159948114	YHXXMAPCYINDRN-TZMCWYRMSA-N	319.351	4.306	70	20	DIID	
C[C@@H](CCNc1nnc(C(F)(F)F)s1)c1ccccc1	160168900	UULHUMBMNOULOE-VIFPVBQESA-N	301.337	4.163	70	20	DIID	
Cc1ccccc1C1(C(=O)Nc2cccc(OCCF)c2)CC1	160411451	IPLKPWDBPMNIPM-UHFFFAOYSA-N	313.372	4.014	70	20	DIID	
CCOCCC1(C(=O)N[C@@H](C)c2ccc(Cl)cc2)CCC1	160612443	PGEYFNFSXMHYFI-ZDUSSCGKSA-N	309.837	4.114	70	20	DIID	
C[C@H](NC(=O)Nc1cccc2[nH]ccc12)c1cccc(F)c1F	160820907	RBKAYFOZMNTDSJ-JTQLQIEISA-N	315.323	4.329	70	20	DIID	
CCSc1cc(Cl)ccc1C(=O)NC[C@H]1CCCS1	160991021	NCHBEBJZODDFTJ-LLVKDONJSA-N	315.891	4.077	70	20	DIID	
CCN(Cc1ccccn1)[C@H](C)c1nc(-c2ccccc2C)no1	161163669	HAEOOFUVBVFZHA-OAHLLOKOSA-N	322.412	4.023	70	20	DIID	
COc1c(Cl)cccc1NCc1noc(C2CCCCC2)n1	161316202	NMSLHGPHFQZXDB-UHFFFAOYSA-N	321.808	4.391	70	20	DIID	
CCOC(=O)[C@H](Nc1ccc(OC)cc1)c1cccc(Cl)c1	217139245	YWHDNNGBEYFNLD-MRXNPFEDSA-N	319.788	4.065	70	20	DIID	
CCCCN(C)C(=O)Nc1cccc(N2CCC(C)CC2)c1	159752876	UKGKGQJKUGGYGM-UHFFFAOYSA-N	303.450	4.187	70	20	DIID	
CSc1cccc(NC(=O)[C@H](C)c2c(F)cccc2F)c1	160921458	RTOUKLPFURNWGS-SNVBAGLBSA-N	307.365	4.429	70	20	DIID	
CCc1nc2cc(NC(=O)c3c(F)cc(F)cc3F)ccc2o1	161093084	ZGUSQGMJZHFAJB-UHFFFAOYSA-N	320.270	4.060	70	20	DIID	
CCCCC[C@@H](C)NC(=O)CN[C@@H](C)c1cc2ccccc2o1	216699084	CIDHCMQWOPTMOA-CABCVRRESA-N	316.445	4.168	70	20	DIID	
O=C(Nc1cccc2[nH]ccc12)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2	160269116	WBETUEVMPBLBHL-NYYJTOMGSA-N	312.388	4.415	70	20	DIID	
Cc1noc(C)c1N(C)C(=O)Nc1ccccc1OC(C)(C)C	160731362	LAGYSNSLTFELCP-UHFFFAOYSA-N	317.389	4.137	70	20	DIID	
CCc1noc(C)c1C[S@](=O)c1cc(C(C)(C)C)ccc1C	161038011	VEZPGYZHWDSQEX-JOCHJYFZSA-N	319.470	4.459	70	20	DIID	
COc1ccc(C(C)(C)C(=O)Nc2cccc(Cl)c2F)cc1	161422099	MIWIQUQYOZYMJG-UHFFFAOYSA-N	321.779	4.404	70	20	DIID	
CC(C)c1ccccc1NC(=O)C[C@@H](C)N[C@@H]1CCCSC1	159552703	CSKBZSYSUCYOTM-HUUCEWRRSA-N	320.502	4.012	70	20	DIID	
CCCOc1ccc([C@H](C)N[C@@H](C)c2cncs2)cc1OC	159989503	QCAASMMVHCKHED-STQMWFEESA-N	320.458	4.352	70	20	DIID	
O=C(N[C@@H]1CCOC2(CCCC2)C1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	160141571	MUPPCPIXVPLYLT-WNRNVDISSA-N	319.489	4.201	70	20	DIID	
CCN(Cc1cccc(F)c1)C(=O)[C@H]1C[C@@H]1c1sccc1C	160403656	OPIWOLHPUIZHPV-HOTGVXAUSA-N	317.429	4.348	70	20	DIID	
C/C(=C/c1ccc(Cl)cc1)c1nc2sccc2c(=O)[nH]1	161462733	XFHNIRQXZAFWNE-HJWRWDBZSA-N	302.786	4.199	70	20	DIID	
Fc1cccc([C@@H]2CN(Cc3ccccc3Cl)CCO2)c1	216706124	AKCKHYURVOZEHQ-KRWDZBQOSA-N	305.780	4.053	70	20	DIID	
C[C@H](CNc1ncc(-c2ccccc2)s1)c1nccs1	159558294	SOIKORJYGPRLMG-LLVKDONJSA-N	301.440	4.482	70	20	DIID	
CC[C@H](NC(=O)c1cc2cccc(F)c2o1)c1c(C)noc1C	160206392	ICNKRKJWFFUPKO-ZDUSSCGKSA-N	316.332	4.058	70	20	DIID	
CCCNC(=O)c1cccc(CN[C@@H](CC)c2ccc(C)cc2)c1	160569155	OFSQDXFGWLLRBN-FQEVSTJZSA-N	324.468	4.376	70	20	DIID	
Cc1occc1CN(C)C(=O)C[C@H](C)c1ccc(F)cc1F	160777041	SLEHPRYRQDLALM-NSHDSACASA-N	307.340	4.018	70	20	DIID	
COC(=O)Nc1ccc(NCc2cc(F)cc(Cl)c2)cc1	160871559	TXMWDTGXNDDXLF-UHFFFAOYSA-N	308.740	4.270	70	20	DIID	
Cc1cc(C(=O)Nc2cc(F)ccc2Br)oc1C	161172547	CEUQGPBTRICDIN-UHFFFAOYSA-N	312.138	4.050	70	20	DIID	
CCOC(=O)[C@H](Sc1ccc(F)cc1F)c1ccccc1	218636770	HACHACLXFDDPTK-OAHLLOKOSA-N	308.349	4.361	70	20	DIID	
CC[C@@H](N[C@H]1CCCSC1)c1ccc(OC(F)F)cc1	159629290	KXQLICXURWOMCL-GXTWGEPZSA-N	301.402	4.224	70	20	DIID	
O=C(N[C@@H]1CCCc2sccc21)[C@@H]1CCCc2sccc21	159818145	BWJHFTLQKKBVBO-TZMCWYRMSA-N	317.479	4.423	70	20	DIID	
CCCCn1ncc(NC(=O)N[C@H](CC)c2cccs2)c1C	159894812	XJSZKAOYFGMJDM-CYBMUJFWSA-N	320.462	4.326	70	20	DIID	
COc1ccc(-c2cc(C(=O)NC3CC=CC3)sc2C)cc1	160914031	DXHSEBUXVPSYCK-UHFFFAOYSA-N	313.422	4.181	70	20	DIID	
CN(CCc1nccs1)C(=O)Nc1ccc(C(C)(C)C)cc1	159816724	SYZXHQNRMGOAJR-UHFFFAOYSA-N	317.458	4.147	70	20	DIID	
CCc1nc(CN[C@@H](c2ccc(Cl)cc2)C2CCCC2)n[nH]1	160416437	GYHJSJAOHBVBTM-QGZVFWFLSA-N	318.852	4.042	70	20	DIID	
CC[C@H](N[C@@H](CCCO)c1ccccc1)c1ccccc1OC	160873458	HRAOCSVYAKZBEL-OALUTQOASA-N	313.441	4.250	70	20	DIID	
C[C@H](NC[C@@H](Cc1ccccc1)c1ccccc1)[C@H]1CCOC1	161241189	OEXXKEMJKILGDF-DZFGPLHGSA-N	309.453	4.028	70	20	DIID	
C[C@@H](CC(=O)N(C)[C@@H](C)c1cc(F)ccc1F)c1ccncc1	159522288	CEZAAWVFOWEOGD-STQMWFEESA-N	318.367	4.073	70	20	DIID	
CC(C)CCn1ccc(NC(=O)N2[C@H]3CCCC[C@H]3C[C@H]2C)n1	159684122	ACVZIWMUYPMKHQ-PMPSAXMXSA-N	318.465	4.114	70	20	DIID	
Cc1noc(C)c1[C@@H](C)CC(=O)N[C@H]1CCCc2sccc21	159883791	YOESKYBZCMPHTQ-HZMBPMFUSA-N	318.442	4.040	70	20	DIID	
Clc1cc(Br)ccc1OCc1nccs1	161120336	RAHLYHTZDIODJM-UHFFFAOYSA-N	304.596	4.138	70	20	DIID	
C/C=C(\C=C\C(=O)N1CCC(C(=O)c2ccccc2)CC1)CC	161319846	VLIHQNLCAAFXCG-HOQQKHBLSA-N	311.425	4.020	70	20	DIID	
Cc1ccc(-c2n[nH]c(NC(=O)C[C@H]3CC[C@H](C)C3)c2C)o1	161411258	KLTIOFUQOYWWMS-GWCFXTLKSA-N	301.390	4.051	70	20	DIID	
CC(C)CN(CC(C)C)C(=O)NCCc1ccc(Cl)cc1	217308601	DNVZHGNSGZMFDG-UHFFFAOYSA-N	310.869	4.206	70	20	DIID	
Cc1ccccc1[C@H](C)Sc1nnc(-c2ccccn2)n1C	159495900	VZINWXMPXICJJK-ZDUSSCGKSA-N	310.426	4.039	70	20	DIID	
CCCCn1ncc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2CC)c1C	160275604	VKVUBONXYWMZEQ-DOTOQJQBSA-N	320.481	4.424	70	20	DIID	
CC(=O)Nc1ccc(C)c(NCc2ccc(Cl)cc2F)c1	160751757	QAKLCECXZAKECW-UHFFFAOYSA-N	306.768	4.358	70	20	DIID	
Cc1ccc(CN[C@@H](C)[C@@H](C)c2nc3ccccc3s2)cn1	161293953	QZFXXMKIJHHHIR-KGLIPLIRSA-N	311.454	4.282	70	20	DIID	
Cc1cccc(C(=O)N[C@H]2CCSc3ccccc32)c1F	161411291	PZKRXCLRUSYBFC-AWEZNQCLSA-N	301.386	4.101	70	20	DIID	
Cc1cccc(CNC(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c1	217314527	ZAIJRKSVMFJBOQ-APWZRJJASA-N	300.446	4.105	70	20	DIID	
CCS[C@H]1CCC[C@H](NC2CCN(C3CCCCC3)CC2)C1	159371214	GCNVTMSVSHVOIV-HKUYNNGSSA-N	324.578	4.437	70	20	DIID	
CC(C)CCn1ccc(N[C@H](C)c2ncc(C(C)(C)C)o2)n1	159860157	AMCXJJUWXYAVQP-CYBMUJFWSA-N	304.438	4.388	70	20	DIID	
Cc1ccc(NC(=O)C[C@H](C)c2ccncc2)cc1OC(F)F	160610654	SQFBCXRIIQALHC-LBPRGKRZSA-N	320.339	4.124	70	20	DIID	
Cc1cccc(NC(=O)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)c1	159717975	KNWVCFGVRIIFDO-LPHOPBHVSA-N	324.424	4.284	70	20	DIID	
Cc1ccc(C(=O)N[C@H]2CCOC3(CCCCC3)C2)cc1Cl	160980345	RKMBUQVPQJHLNC-HNNXBMFYSA-N	321.848	4.260	70	20	DIID	
CO[C@H](CNC(=O)c1ccc(C)cc1C)c1ccccc1Cl	218312366	FYOKOFKGYRKWDB-QGZVFWFLSA-N	317.816	4.074	70	20	DIID	
CCC(CC)(CC)CNC(=O)N1CCC(OC2CCCC2)CC1	159817520	GSABEMJQGWGMRI-UHFFFAOYSA-N	324.509	4.336	70	20	DIID	
COCCOc1ccc(NCc2ccc(Cl)cc2F)cc1	160746720	UYYODXOREIZGHU-UHFFFAOYSA-N	309.768	4.116	70	20	DIID	
CC[C@@H]1CCCC[C@H]1NCC(=O)Nc1c(C)cc(C)cc1C	161407677	WWCRPQRQAYWGOX-IAGOWNOFSA-N	302.462	4.109	70	20	DIID	
CSc1ccc(C(=O)N2C[C@@H](C)CSc3ccccc32)o1	159677552	NOIWRLFPAFREID-LLVKDONJSA-N	319.451	4.390	70	20	DIID	
COc1ccc(N(C)C(=O)c2ccc(C)cc2C)cc1Cl	160104994	UDRLADRYCKRTFB-UHFFFAOYSA-N	303.789	4.242	70	20	DIID	
CSCc1cccc(NC(=O)C[C@H](C)c2ccncc2)c1	160530557	CVWROHPIGDLCCF-ZDUSSCGKSA-N	300.427	4.077	70	20	DIID	
Cc1cc(N[C@H]2CCO[C@H](c3ccccc3)C2)nc(C(C)C)n1	160602396	HZCUCICQQSTEOL-IRXDYDNUSA-N	311.429	4.241	70	20	DIID	
CCCCN(C)C(=O)N[C@@H](C)c1ccc(OCC2CC2)c(F)c1	161312443	XPNZMDXROAISAI-ZDUSSCGKSA-N	322.424	4.117	70	20	DIID	
Cc1ccc(F)cc1NC(=O)c1sccc1-n1cccc1	218050292	JJZCRGRSVNKJJA-UHFFFAOYSA-N	300.358	4.239	70	20	DIID	
CC[C@H](C(=O)NCCc1cc2ccccc2[nH]1)c1ccccc1	159528912	AJKOHSWLVSBQRL-SFHVURJKSA-N	306.409	4.020	70	20	DIID	
CC(C)c1cccc(C(C)C)c1NC(=O)N[C@H]1CC[C@H](O)CC1	159815623	WKXJEJRMGKGGQT-GASCZTMLSA-N	318.461	4.358	70	20	DIID	
Cc1cccc(C(=O)Nc2ccccc2OC(F)(F)F)c1F	160158892	RTFBHFNYVIGJJD-UHFFFAOYSA-N	313.250	4.285	70	20	DIID	
CC(C)n1cc([C@@H](C)NCC2(Sc3ccccc3)CC2)cn1	160505465	CDELRLWDWONMLU-OAHLLOKOSA-N	315.486	4.440	70	20	DIID	
Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NCC1CCC(C(C)C)CC1	160646315	NCDRCGQWBXNXGU-IGEOTXOUSA-N	319.493	4.099	70	20	DIID	
CC[C@H](NC(=O)[C@H](CC)c1ccc(F)cc1)c1c(C)noc1C	161411418	SLDOMJYVPIFQAW-CVEARBPZSA-N	318.392	4.192	70	20	DIID	
CSc1ccc(/C=C(/C)c2nc3sccc3c(=O)[nH]2)cc1	161459175	BNUOXVSZVOQLQS-KTKRTIGZSA-N	314.435	4.267	70	20	DIID	
CC(C)(C)CCCC(=O)N[C@@H](C[C@H]1CCOC1)c1ccccc1	159563801	NSLBGPFWNDBVDB-AEFFLSMTSA-N	317.473	4.487	70	20	DIID	
CC[C@@H](CC(=O)NCc1nc2ccccc2[nH]1)c1ccc(C)cc1	159818198	SGAOMNYNGLCJJU-HNNXBMFYSA-N	321.424	4.071	70	20	DIID	
CCc1cc(C(=O)N[C@H](CC)c2c(C)noc2C)sc1C	160219830	IZMHKDZCAKQDPL-CYBMUJFWSA-N	306.431	4.105	70	20	DIID	
CO[C@@H]1CCCC[C@@H]1N[C@@H](C)c1cccc(C(F)(F)F)c1	218196781	COZSZYCTZNZOJR-TUKIKUTGSA-N	301.352	4.314	70	20	DIID	
C[C@H](NCCC1CCN(CC(F)(F)F)CC1)c1cccs1	159971971	YSWSVAHVYFTGAZ-LBPRGKRZSA-N	320.424	4.063	70	20	DIID	
CC(C)c1ccccc1NC(=O)COc1ccc2[nH]ccc2c1	160067602	VFVSCHQSRQFQBG-UHFFFAOYSA-N	308.381	4.309	70	20	DIID	
Cc1ccc(OC[C@H](C)NCc2cc(F)cc(Cl)c2)cc1	160909145	WCEGFYLBGNMVDS-ZDUSSCGKSA-N	307.796	4.345	70	20	DIID	
CC[C@@H]1CCCC[C@@H]1N(C)C(=O)c1cnc(-c2ccccc2)nc1	161124155	JCWMWWJZTVFLFY-QAPCUYQASA-N	323.440	4.184	70	20	DIID	
CCc1noc(C)c1CNc1cc(Br)ccc1C	159401482	NSTGCJXBHUQCQQ-UHFFFAOYSA-N	309.207	4.228	70	20	DIID	
C[C@H](CC(=O)NCc1ccc(C(C)(C)C)cc1)c1ccncc1	159501396	LGGUIGJALWPEOY-OAHLLOKOSA-N	310.441	4.189	70	20	DIID	
CCCCn1ncc(NC(=O)N(C)[C@H]2CCCC[C@@H]2C)c1C	159697437	PGTACNKLADRMMN-BBRMVZONSA-N	306.454	4.034	70	20	DIID	
Cc1ccc2[nH]c(C(=O)Nc3nnc(C(C)C)s3)c(C)c2c1	160121990	ZUEJPBVEBZZMKE-UHFFFAOYSA-N	314.414	4.012	70	20	DIID	
Cc1noc(C)c1CCSCc1cccc(OC(F)F)c1	160136840	PDOZGBBBOWQKRT-UHFFFAOYSA-N	313.369	4.369	70	20	DIID	
Cc1ncsc1CN1CCC[C@@H]1c1nc2ccccc2s1	160718323	KMDWJOCICZLZHS-CYBMUJFWSA-N	315.467	4.398	70	20	DIID	
CCc1cc(C(=O)N[C@@H](C)CC(=O)c2cccs2)sc1C	160724730	YVVIUXIUEPUHIQ-JTQLQIEISA-N	321.467	4.072	70	20	DIID	
C[C@@H]1CCC[C@](CNCc2cc(F)cc(Cl)c2)(N(C)C)C1	160910895	QZRBTZPAQAWLPL-DYVFJYSZSA-N	312.860	4.079	70	20	DIID	
CC(C)c1ccc(C(=O)N2C[C@@H](C(C)C)Nc3ccccc32)cn1	159811250	IKHIZAQKMHCOSX-SFHVURJKSA-N	323.440	4.302	70	20	DIID	
C[C@@H](NC1CCN(C2CCCC2)CC1)c1cc(F)cc(F)c1	160486719	LVWYFXSQRPWALI-CYBMUJFWSA-N	308.416	4.022	70	20	DIID	
CCCS(=O)(=O)Nc1cccc(N[C@H](C)c2ccccc2)c1	160975693	INJBBRZNELYPIS-CQSZACIVSA-N	318.442	4.011	70	20	DIID	
Cc1cc(C(=O)N2CCCc3cccc(OC(F)F)c32)oc1C	160555245	IQKUMXDBRCQUQP-UHFFFAOYSA-N	321.323	4.091	70	20	DIID	
Fc1cc(Cl)ccc1CNc1cccc(-c2ccn[nH]2)c1	160758421	TYCTUQJMBWMAJQ-UHFFFAOYSA-N	301.752	4.481	70	20	DIID	
C[C@H](N[C@H](c1ccc2c(c1)OCCO2)C1CC1)c1cccs1	161128175	PPKOBQUWHUSRNY-SGTLLEGYSA-N	315.438	4.321	70	20	DIID	
CC[C@@H](S[C@H](C)C(=O)Nc1cc(C)no1)c1ccc(F)cc1	161340389	VMNQIIYOYMLAIJ-BXUZGUMPSA-N	322.405	4.334	70	20	DIID	
C[C@@H]1Cc2ccccc2N1C(=O)NCCc1cccc(Cl)c1	217465536	KMCRLIDNBVSXRB-CYBMUJFWSA-N	314.816	4.043	70	20	DIID	
Nc1ccc2c(c1)CCC[C@H]2Nc1ncc(Cl)cc1Cl	159510680	RXPBYBSVGLSJGB-CQSZACIVSA-N	308.212	4.460	70	20	DIID	
COc1ccc(-c2csc(NC(=O)C3(C)CC3)n2)cc1Cl	159749033	KAFDBQKKONSQID-UHFFFAOYSA-N	322.817	4.211	70	20	DIID	
Cc1nc(C(C)C)sc1[C@@H](C)NC[C@](C)(O)c1ccsc1	159923830	QTRIYIDBQGCSSY-BZNIZROVSA-N	324.515	4.195	70	20	DIID	
CCCNC(=O)c1cccc(CN[C@H](C)c2cc(C)ccc2C)c1	160767879	YOLRKJXLYUUISA-QGZVFWFLSA-N	324.468	4.294	70	20	DIID	
Cc1ccc(-c2n[nH]c(NC(=O)c3ccc(C(C)C)nc3)c2C)o1	161090593	UAENKZCSZIPGPI-UHFFFAOYSA-N	324.384	4.057	70	20	DIID	
CCc1noc(C)c1CNc1cc(F)ccc1Br	159587509	JJVWSWTZCASFLH-UHFFFAOYSA-N	313.170	4.059	70	20	DIID	
CC[C@@H](NC(=O)CC1CCC(C)(C)CC1)c1c(C)noc1C	160670166	NFTPUMKSYBGEMN-OAHLLOKOSA-N	306.450	4.465	70	20	DIID	
CC1=C(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CCCO1	160938724	CAXBDCRCAWZSFV-CQSZACIVSA-N	323.845	4.078	70	20	DIID	
CC[C@H](NCc1nnc(-c2ccccc2)s1)c1ccccc1	160732281	ZVWLGEUQYAEHFQ-INIZCTEOSA-N	309.438	4.446	70	20	DIID	
Cc1ccccc1CNC(=O)N[C@H](C)c1ccc2c(c1)CCCC2	217313744	MNDYRBDQNVIVCF-MRXNPFEDSA-N	322.452	4.434	70	20	DIID	
O=C(Cc1ccsc1)N1CCC(CCc2ccccc2)CC1	217482641	NQIHBIAQHXIQMM-UHFFFAOYSA-N	313.466	4.162	70	20	DIID	
CCCCCCC(=O)O[C@H](c1c(C)nn(C)c1C)C(F)(F)F	159997726	KOZFYUPNAGEHME-CQSZACIVSA-N	320.355	4.154	70	20	DIID	
C[C@H](CC(=O)N1CCC[C@H]1c1ccsc1)c1ccncc1	160049455	AULRUMNYBATCCX-CJNGLKHVSA-N	300.427	4.000	70	20	DIID	
O=C(CCC1CCCC1)O[C@H](c1ccccn1)C(F)(F)F	160443861	UPLTVMRZNZECOO-CQSZACIVSA-N	301.308	4.199	70	20	DIID	
CCOCc1cccc(NC(=O)c2ccc(Cl)cc2C)c1	160552934	QKKBHMYMEWBWCG-UHFFFAOYSA-N	303.789	4.437	70	20	DIID	
Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)C[C@@H](C)c2ccncc2)C1	160720563	UHHYKSDFENZFHP-ZHALLVOQSA-N	322.452	4.288	70	20	DIID	
C[C@@H](C(=O)NCCCc1c[nH]c2ccccc12)c1ccsc1	159419433	VIURGAXJQKHTLU-CYBMUJFWSA-N	312.438	4.082	70	20	DIID	
CCc1ccccc1NC(=O)c1cc(Cl)c(N)c(Cl)c1	159611250	HWHHERQJKONMKA-UHFFFAOYSA-N	309.196	4.390	70	20	DIID	
Cc1noc(C)c1[C@@H](C)CC(=O)NC1CCC(C(C)C)CC1	159821652	WSMLEMPSWSTTIC-JQRITLKVSA-N	306.450	4.116	70	20	DIID	
CS[C@@H](C)CC(=O)Nc1cccc(COCc2ccco2)c1	160198386	MOQCWUFMWYRFRK-ZDUSSCGKSA-N	319.426	4.077	70	20	DIID	
CCSCc1cccc(NC(=O)C[C@@H](C)c2ccncc2)c1	160798755	UYUSHJYKBJTDHU-CQSZACIVSA-N	314.454	4.467	70	20	DIID	
O=C(Nc1ccccc1Cc1ccccc1)c1ccccc1O	218311537	QQBRWACVQJGKQC-UHFFFAOYSA-N	303.361	4.235	70	20	DIID	
O=C(Cc1ccc(F)cc1Cl)Nc1cc(F)ccc1Cl	159944169	FROGDHBMQVWBIU-UHFFFAOYSA-N	316.134	4.453	70	20	DIID	
Cc1cccc([C@H]2CCCN2C(=O)c2ccc(CN(C)C)cc2)c1	160782733	DUTZBJVXZJDYGN-HXUWFJFHSA-N	322.452	4.034	70	20	DIID	
Cc1cccc(C)c1OCCCn1nc(C2CC2)nc1C1CC1	161434570	CDJCMAXODWXCNH-UHFFFAOYSA-N	311.429	4.119	70	20	DIID	
C[C@@H](c1cc(F)ccc1F)N1CCO[C@@H](c2cccc(F)c2)C1	216682923	DOXWTNLFTRUJOQ-KPZWWZAWSA-N	321.342	4.238	70	20	DIID	
CC(C)c1ccc([C@H](C)CC(=O)NCCc2cscn2)cc1	159478096	ATMJMSSTZCYANH-CQSZACIVSA-N	316.470	4.119	70	20	DIID	
Clc1cccc(-c2noc(CSCc3cscn3)n2)c1	161237926	MGTPCAFWCQVZNU-UHFFFAOYSA-N	323.830	4.280	70	20	DIID	
CN(C(=O)Nc1ccc(Br)c(Cl)c1)C1CCC1	161376202	YBQFRFQITJGQIM-UHFFFAOYSA-N	317.614	4.119	70	20	DIID	
CC(C)COc1ccc(CC(=O)N(C)c2ccc(F)cc2)cc1	216964884	HSXZYGIIPGFSCH-UHFFFAOYSA-N	315.388	4.066	70	20	DIID	
CCCCN(CCCC)C(=O)NCCc1cccc(Cl)c1	217460583	CGCAYWBYAFPLSL-UHFFFAOYSA-N	310.869	4.494	70	20	DIID	
Cc1ccc(OC(F)F)c([C@H](C)N[C@H]2CCCSC2)c1	159551600	OHNSSWUEZNVAQW-RYUDHWBXSA-N	301.402	4.143	70	20	DIID	
Cc1nccc(NC(=O)N2CCC[C@@H]2c2cccs2)c1Cl	159689674	NUPLYRUZBXZSBH-GFCCVEGCSA-N	321.833	4.474	70	20	DIID	
CC(C)Oc1ccc(NC(=O)C[C@@H](C)c2ccncc2)c(F)c1	160289277	KZHCHWHBBVYMCX-CYBMUJFWSA-N	316.376	4.140	70	20	DIID	
C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@@H]1CCCCO1	160904954	OESADZVJGJSYPW-YGRLFVJLSA-N	316.228	4.082	70	20	DIID	
C[C@@H]1CN(C(=O)Nc2cc(F)c(F)c(F)c2)[C@@H]1c1ccccc1	160914805	CQECEPHYLJNVER-HWPZZCPQSA-N	320.314	4.329	70	20	DIID	
COc1cc(F)c(C(=O)Nc2ccc(C)cc2Cl)cc1OC	161198864	AAFDLBPRUOTYAV-UHFFFAOYSA-N	323.751	4.057	70	20	DIID	
Clc1ccc2ccn(Cc3nc(-c4cccs4)no3)c2c1	217083529	CKGMWLXGXGYVLP-UHFFFAOYSA-N	315.785	4.455	70	20	DIID	
Cc1ccccc1CCNC(=O)Nc1cc(Cl)ccc1C	217315640	DILHDKDVZQAITI-UHFFFAOYSA-N	302.805	4.321	70	20	DIID	
CCN(C(=O)[C@@H](C)N[C@H](c1ccccc1)C1CC1)c1ccccc1	218047113	MIICVXMTBPRMKV-OXQOHEQNSA-N	322.452	4.169	70	20	DIID	
CCN(Cc1nnc(-c2ccccc2OC)o1)c1ccccc1C	159448993	DSFVMLAAKLAEMH-UHFFFAOYSA-N	323.396	4.080	70	20	DIID	
CCc1noc(C)c1CSCc1ccc(-n2cccn2)cc1	159665260	UHGIZRGYPOGUPW-UHFFFAOYSA-N	313.426	4.165	70	20	DIID	
C[C@H](C(=O)O[C@@H](c1ccccn1)C(F)(F)F)c1cccs1	160091990	QFRIVWALVGWJKC-CABZTGNLSA-N	315.316	4.093	70	20	DIID	
COc1c(Cl)cc(Cl)cc1CN[C@@H]1CCOC(C)(C)C1	160513784	RCCPTRCOIWTPMH-GFCCVEGCSA-N	318.244	4.049	70	20	DIID	
Cc1ccccc1C[C@@H](C)N[C@@H](C)c1ccc([S@](C)=O)cc1	160764989	YYYNNODXYSUIHS-ZMPRRUGASA-N	315.482	4.014	70	20	DIID	
CC[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(C(F)(F)F)nc1	161232009	FPMRMCFPJXSNNR-YPMHNXCESA-N	314.351	4.141	70	20	DIID	
Cc1ccnc(NC(=O)NC(c2ccccc2)c2ccccc2)c1	217269988	YBVRCXZUEUTFDS-UHFFFAOYSA-N	317.392	4.301	70	20	DIID	
CC[C@H](NCC(=O)N(C(C)C)C(C)C)c1ccc(Cl)cc1	218208608	UTBYYLSYVICGKG-INIZCTEOSA-N	310.869	4.026	70	20	DIID	
CC(C)c1ccccc1NC(=O)CCCc1nc(C2CC2)no1	159364113	RFSVFVDVMOIBOQ-UHFFFAOYSA-N	313.401	4.032	70	20	DIID	
O=C(CCCn1cccc1)Nc1cccc(Oc2ccncc2)c1	159506113	KOOZCYBQKRGQBG-UHFFFAOYSA-N	321.380	4.094	70	20	DIID	
CCC(CC)(CCO)CNC(=O)CCC(C)(C)c1ccccc1	159658766	ICVSZCIQAKAPJV-UHFFFAOYSA-N	319.489	4.049	70	20	DIID	
Cc1ccc(CCNC(=O)C[C@@H](C)c2ccc(C(C)C)cc2)cn1	159791239	NLCXFXZRJCIKNB-MRXNPFEDSA-N	324.468	4.366	70	20	DIID	
Cc1ccc(-c2cncc(C(=O)N(C)Cc3ccsc3)c2)cc1	160126154	RNGMQTKRHKCMRP-UHFFFAOYSA-N	322.433	4.391	70	20	DIID	
O=C(CCC1CCCC1)O[C@@H](c1ccccn1)C(F)(F)F	160443733	UPLTVMRZNZECOO-AWEZNQCLSA-N	301.308	4.199	70	20	DIID	
CCc1nc(C)c([C@@H](C)NC2CCN(C3CCCC3)CC2)s1	160459994	KLMJWNLJAWVXKZ-CYBMUJFWSA-N	321.534	4.072	70	20	DIID	
COc1ccc([C@@H](C)N[C@H](CCO)c2ccccc2)cc1Cl	160990493	SUXIXHPSVWJZLX-CXAGYDPISA-N	319.832	4.123	70	20	DIID	
CC[C@H](C)C[C@H](C)NC1CCC(NC(=O)OC(C)(C)C)CC1	218112999	OZOCNCFVNBSWRB-FXQLRMTLSA-N	312.498	4.237	70	20	DIID	
CCCC(=O)Nc1cccc(CN[C@@H]2c3ccccc3C[C@H]2C)c1	159892157	HLINMNBJLOSXEI-VFNWGFHPSA-N	322.452	4.448	70	20	DIID	
CC(C)C[C@@H]1CCCN(CC2CCN(C(=O)C(C)(C)C)CC2)C1	160169331	UESWHHWLSRRDDD-SFHVURJKSA-N	322.537	4.029	70	20	DIID	
O=C(N[C@@H]1CCCc2sccc21)c1ccc(F)cc1Cl	160243563	ZJQQGMAUPUXOOG-CYBMUJFWSA-N	309.793	4.348	70	20	DIID	
Fc1ccc(-c2csc(N[C@H]3CCO[C@@H](C4CC4)C3)n2)cc1	160389227	HNBFUDRSQVWEFG-GOEBONIOSA-N	318.417	4.319	70	20	DIID	
CCS[C@@H](C)c1noc(CSCc2cccc(F)c2)n1	161042319	DQPMCNAWKVQAQC-JTQLQIEISA-N	312.435	4.456	70	20	DIID	
CCc1cnc(NC(=O)N2CCCC[C@H]2c2ccc(C)o2)s1	161279522	KXZOXEPIVPKECS-ZDUSSCGKSA-N	319.430	4.366	70	20	DIID	
CC[C@H](NC(=O)[C@@H](CC)c1ccc(F)cc1)c1c(C)noc1C	161411292	SLDOMJYVPIFQAW-HOTGVXAUSA-N	318.392	4.192	70	20	DIID	
O=C(NCCc1cccc(Cl)c1)NCCC1CCCCC1	217305273	CZCGYVNFITWAQW-UHFFFAOYSA-N	308.853	4.152	70	20	DIID	
C[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C(F)(F)F)cc1	217312913	NDAOKZXIVZUTIZ-GWCFXTLKSA-N	300.324	4.406	70	20	DIID	
CCc1noc(C)c1CNc1cccc(Oc2ccccn2)c1	159471694	KHCCGOYRPLPFIZ-UHFFFAOYSA-N	309.369	4.345	70	20	DIID	
CCCc1sc(C(=O)NC(C)(C)c2nccs2)cc1CC	217221772	QUVQMUIKPFGNPT-UHFFFAOYSA-N	322.499	4.385	70	20	DIID	
C[C@@H](c1ccccc1Cl)N(C)C[C@@](C)(O)c1ccccc1	217825184	ISSAIWWBMRSNIX-KBXCAEBGSA-N	303.833	4.241	70	20	DIID	
COc1cc(CSCCc2c(C)noc2C)ccc1SC	160142002	XCVIZFMLNDEPEX-UHFFFAOYSA-N	323.483	4.498	70	20	DIID	
CCCCn1ncc(NC(=O)N2CCC[C@@H]2CC(C)C)c1C	160143004	QMQXFXYMFGVUFH-OAHLLOKOSA-N	306.454	4.034	70	20	DIID	
FC(F)Oc1ccc(N[C@H]2CCO[C@@H](c3ccccc3)C2)nc1	160528055	IEOUOSDNBRIVTB-DZGCQCFKSA-N	320.339	4.015	70	20	DIID	
CCOc1ccc(NCc2ccc(Cl)cc2F)cc1OC	160726622	ZMZZLLXIHOQESE-UHFFFAOYSA-N	309.768	4.499	70	20	DIID	
Cc1cccc([C@@H](C)C(=O)N[C@H]2CCOC3(CCCCC3)C2)c1	160830811	MTTAZDISRJEPIY-AEFFLSMTSA-N	315.457	4.097	70	20	DIID	
COc1ccc(NC(=O)C2CCC(c3ccccc3)CC2)cc1N	161192946	PPYNDQKNRBWERN-UHFFFAOYSA-N	324.424	4.190	70	20	DIID	
CC[C@@H](NC(=O)c1cc2cc(C)ccc2o1)c1c(C)noc1C	160022809	WPBXIHXGPSIGGC-CQSZACIVSA-N	312.369	4.227	70	20	DIID	
C[C@@H]1C[C@@H]1[C@H](NC(=O)CCCCCCN)c1ccc(Cl)cc1	161293290	RZZLRYUEXLABOM-RPVQJOFSSA-N	322.880	4.063	70	20	DIID	
Cc1n[nH]c(C)c1[C@H](C)CC(=O)N[C@@H](CCC(C)C)C(C)(C)C	159977167	VSAPPHKCFUTBBU-CJNGLKHVSA-N	321.509	4.487	70	20	DIID	
COc1ccc(C(C)(C)C(=O)Nc2cccc3[nH]ccc23)cc1	160268102	NWWWSUOFEWZBGC-UHFFFAOYSA-N	308.381	4.093	70	20	DIID	
Cc1cc([C@@H](C)NC(=O)NC[C@]2(C)CCCS2)c(C)s1	160333529	IZIWYZTXPQKCOQ-ABAIWWIYSA-N	312.504	4.011	70	20	DIID	
Cc1cc(F)ccc1-c1ccc(CN[C@H]2CCOC(C)(C)C2)o1	160456167	RAPVILQCWNHDSH-HNNXBMFYSA-N	317.404	4.441	70	20	DIID	
C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NCc2ccco2)C1	161325277	RWHRQSCHORPMJF-GASCZTMLSA-N	312.413	4.010	70	20	DIID	
CSc1ccc([C@@H](C)NC(=O)c2cccc(C)c2F)cc1	161452538	SXVBCBYJIIWZSQ-GFCCVEGCSA-N	303.402	4.347	70	20	DIID	
Cc1cc(C)c(NC(=O)NCc2ccc(F)cc2)c(Cl)c1	217270278	QGRMNRJAJYTZSS-UHFFFAOYSA-N	306.768	4.418	70	20	DIID	
CC[C@]1(C)C[C@@H]1C(=O)N1CCC[C@@H]1c1nc2ccccc2s1	159488776	BEHFZRARBMJRKW-RVZJWNSFSA-N	314.454	4.396	70	20	DIID	
COc1ccc(Cl)cc1CSCCc1c(C)noc1C	160095646	VYLLCKWOGDORBS-UHFFFAOYSA-N	311.834	4.429	70	20	DIID	
CC1(C)C[C@H](NCc2cc(-c3ccccc3)cs2)CCO1	160434045	LVQMLTQNDXJOPO-MRXNPFEDSA-N	301.455	4.462	70	20	DIID	
CCn1nc(CNc2ccc(F)c(Cl)c2)c2ccccc21	160646210	JNUNLNIAWMQTKQ-UHFFFAOYSA-N	303.768	4.461	70	20	DIID	
O=C(c1ccccn1)N1CCCC[C@H]1CCCc1ccccc1	161199154	FTSNPZZNOVLWDD-SFHVURJKSA-N	308.425	4.099	70	20	DIID	
Cc1cc(C)c(C(=O)Nc2ccc(-c3csc(C)n3)cc2)[nH]1	159561588	AYHLMQIZESOPIX-UHFFFAOYSA-N	311.410	4.316	70	20	DIID	
C[C@H]1CCC[C@H](C(=O)N(Cc2ccco2)Cc2ccco2)C1	160025144	ARQOIYDAFJRCKV-GJZGRUSLSA-N	301.386	4.228	70	20	DIID	
O=C(N[C@@H]1CCOC2(CCCC2)C1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	160141434	MUPPCPIXVPLYLT-BSDSXHPESA-N	319.489	4.201	70	20	DIID	
Cc1cccc2ncnc(N[C@H]3CCO[C@@H](c4ccccc4)C3)c12	160570576	IIJCGSGQWQDYQG-FUHWJXTLSA-N	319.408	4.270	70	20	DIID	
CCC[C@@H]1[C@@H](C)CCCN1CC1CCN(C(=O)C(C)(C)C)CC1	160622896	DHAKKLWNEMCVSL-FUHWJXTLSA-N	322.537	4.172	70	20	DIID	
COCc1ccc([C@@H]2CCCN2C(=O)c2cc(C)ccc2C)o1	161317308	FTOFIPJNYDAAEI-KRWDZBQOSA-N	313.397	4.020	70	20	DIID	
CC(=O)NC1CCC(N[C@H](c2cccc(C)c2)C(C)(C)C)CC1	161345361	AAVRDYCRFQYKPV-CTWPCTMYSA-N	316.489	4.119	70	20	DIID	
CC(C)n1nccc1C(=O)Nc1sccc1C(=O)C(C)(C)C	159727183	SWAZIIXWOCJKAB-UHFFFAOYSA-N	319.430	4.007	70	20	DIID	
CCCCn1ncc(NC(=O)N(CC)CC(CC)CC)c1C	159981923	WANUOOUMVZXTKL-UHFFFAOYSA-N	308.470	4.282	70	20	DIID	
CC(C)c1cc(N[C@H]2CCO[C@@H](C3CC3)C2)nc(C(C)C)n1	160269648	JERWPLLNOKIRLC-GOEBONIOSA-N	303.450	4.093	70	20	DIID	
CCC[C@H](C)[C@H]1CCCN1CC1CCN(C(=O)C(C)(C)C)CC1	160301775	NAAQZDLESMGOPE-FUHWJXTLSA-N	322.537	4.172	70	20	DIID	
CCCc1cc(C(=O)N[C@H]2CCOC3(CCCC3)C2)sc1C	159571307	CRWAYLCLDBNMSK-HNNXBMFYSA-N	321.486	4.231	70	20	DIID	
CC[C@@H]1CCC[C@H](N[C@@H](C)c2ccc(S(=O)(=O)CC)cc2)C1	159628325	OBXLMFUKURJZJT-UXLLHSPISA-N	323.502	4.100	70	20	DIID	
C[C@@H](NCC1(Sc2ccccc2)CCCC1)[C@H]1CCOC1	160351349	LARFTHACSUTMIA-CVEARBPZSA-N	305.487	4.106	70	20	DIID	
CN(C(=O)Nc1ccccc1Br)c1ccccc1	217272534	BQRYVWLHNNLGKY-UHFFFAOYSA-N	305.175	4.117	70	20	DIID	
CCc1cc(C(=O)N(C)c2ccc(OC)c(F)c2)sc1C	159537959	CADTXFPNDFYBHI-UHFFFAOYSA-N	307.390	4.043	70	20	DIID	
CCC[C@@H](Cc1ccccc1)NC(=O)C[C@@H](C)c1ccncc1	160397636	ZRKQERSLKMCMCA-APWZRJJASA-N	310.441	4.103	70	20	DIID	
COc1ccc(-c2cncc(C(=O)N3[C@@H](C)CCC[C@@H]3C)c2)cc1	160884632	GJDHZWJSNPNKEP-GJZGRUSLSA-N	324.424	4.160	70	20	DIID	
Cc1ccc(CN[C@H]2CCSc3c(Cl)cccc32)cn1	161319317	JGBYOURZQUDCAA-HNNXBMFYSA-N	304.846	4.370	70	20	DIID	
Cc1nccc(NC(=O)N(C)[C@@H](C)c2ccccc2)c1Cl	159578714	JFOPUQGLVUFHQH-LBPRGKRZSA-N	303.793	4.268	70	20	DIID	
C[C@@H](Nc1ccccc1O[C@@H]1CCOC1)c1ccccc1F	159961834	RDRFTXRIEADADI-ZIAGYGMSSA-N	301.361	4.167	70	20	DIID	
CC(C)(C)c1ccccc1NC(=O)N[C@@H]1CCO[C@@H](C2CC2)C1	161026386	KAXFBKZCJPHSRS-RHSMWYFYSA-N	316.445	4.063	70	20	DIID	
Cc1cc(C[C@H](C)NC(=O)CC2CCC(C(C)(C)C)CC2)n[nH]1	161454432	QQESLPAEQFLXDB-JEYLPNPQSA-N	319.493	4.008	70	20	DIID	
O=C(CCCC1CCCCC1)N[C@H]1CCOC2(CCCC2)C1	159391884	XGFYIHQMGAFWSD-KRWDZBQOSA-N	307.478	4.345	70	20	DIID	
C[C@H]1CSc2ccccc2N(C(=O)Cc2cccs2)C1	159542312	SVYKDRAMOULUID-GFCCVEGCSA-N	303.452	4.066	70	20	DIID	
COc1ccccc1C(=O)N1C[C@@H](C)CSc2ccccc21	159625842	FFNNNMOIAKYFKZ-CYBMUJFWSA-N	313.422	4.084	70	20	DIID	
COc1csc(C(=O)N2C[C@@H](C)CSc3ccccc32)c1	159663878	DZINRGNVZJVHLC-LLVKDONJSA-N	319.451	4.145	70	20	DIID	
Cc1cccc([C@@H](NC(=O)C[C@@H](C)C(C)C)c2ccccn2)c1	159791213	MDPGRBFFNSRESE-OXQOHEQNSA-N	310.441	4.278	70	20	DIID	
CCCO[C@H]1CCCN(C(=O)[C@@H](CC)c2ccc(F)cc2)CC1	159889582	KUEODVVYEPHRLW-ROUUACIJSA-N	321.436	4.127	70	20	DIID	
CCO[C@H](C)c1nc(COc2ccc3[nH]ccc3c2)cs1	160042491	RNLGNEGKGLMCQQ-LLVKDONJSA-N	302.399	4.301	70	20	DIID	
CC[C@H](N[C@@H](CN1CCCC1=O)c1ccccc1)c1ccccc1	160680798	PRACTZAJUGJVAS-PMACEKPBSA-N	322.452	4.091	70	20	DIID	
Cc1c(NC(=O)N(C2CC2)[C@@H](C)C2CC2)cnn1CCC(C)C	161472156	BLTHYBBMJFEJSD-ZDUSSCGKSA-N	318.465	4.032	70	20	DIID	
C[C@@H](c1ccc(F)cc1F)N1CCO[C@@H](c2cccc(F)c2)C1	216683508	KSRYXBCJFWZIEU-KPZWWZAWSA-N	321.342	4.238	70	20	DIID	
CN(CCc1cccc2ccccc12)Cc1noc2c1CCCC2	217028161	INSDHKLNMHUKES-UHFFFAOYSA-N	320.436	4.381	70	20	DIID	
O=C(Nc1ccc2[nH]ccc2c1)[C@H]1C[C@H]1c1cccc(F)c1F	159707556	UFZHQLKXPAKNKV-KBPBESRZSA-N	312.319	4.188	70	20	DIID	
C[C@H](CC(=O)O[C@@H](c1ccccn1)C(F)(F)F)c1ccccc1	159864954	QCYWQQWFMKNZAQ-WBMJQRKESA-N	323.314	4.422	70	20	DIID	
CCCC(=O)Nc1cccc(CN[C@H]2CCc3ccccc32)c1	159884284	LZBSJWYKJATEGR-IBGZPJMESA-N	308.425	4.202	70	20	DIID	
CC[C@H](NC(=O)c1cc(C)n(C(C)C)c1C)c1c(C)noc1C	160674594	IIJJFZPKWCTWBB-INIZCTEOSA-N	317.433	4.172	70	20	DIID	
Cc1cnc([C@H](NC(=O)C2CCC(C)(C)CC2)C2CC2)s1	160700833	IKQJFTZVORHUEO-CQSZACIVSA-N	306.475	4.235	70	20	DIID	
CC(C)NCCC(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1	160982411	HXHVGAWXSMWBGG-KRWDZBQOSA-N	322.880	4.172	70	20	DIID	
O=C(NCC1(C2CC2)CC1)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1	159795206	QSGKROXIAPQCIS-LSDHHAIUSA-N	323.358	4.115	70	20	DIID	
CC[C@@H](NC(=O)[C@@H]1CCCc2sccc21)c1c(C)noc1C	160099122	INXIQYVXOQWJHP-ZIAGYGMSSA-N	318.442	4.040	70	20	DIID	
CCNC(=O)c1cccc(CN[C@H]2CC[C@H](C)c3ccccc32)c1	160190089	XWDLTUOTMCCHRP-YWZLYKJASA-N	322.452	4.165	70	20	DIID	
COC(=O)Nc1cccc(NC(=O)C(C)(C)C2CCCC2)c1	160307858	LSWDIBXCAZURJR-UHFFFAOYSA-N	304.390	4.020	70	20	DIID	
Cc1cc(Cl)ccc1NC(=O)c1csc([C@H]2CCCO2)n1	160604606	LKHAJLZNVYGIRK-CYBMUJFWSA-N	322.817	4.209	70	20	DIID	
CCc1ccccc1NC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1	161110254	GWZLQMRJCSYOSA-MJGOQNOKSA-N	324.424	4.291	70	20	DIID	
FCCCSCc1nc(-c2cccc(C(F)(F)F)c2)no1	161246831	ISPWCXMBNBAJMH-UHFFFAOYSA-N	320.311	4.348	70	20	DIID	
CCOc1cccc(CN[C@@H]2CCCc3nc(CC)sc32)c1	159392066	LXMHFMOQOSAHOI-OAHLLOKOSA-N	316.470	4.271	70	20	DIID	
CCC[C@@H](C(=O)Nc1ccc(-c2nnc(CC)o2)cc1)C(C)C	159691794	PPFUJEJKGSLHHB-OAHLLOKOSA-N	315.417	4.310	70	20	DIID	
Cc1nccn1CCCCN1CCC[C@H](c2ccccc2)CC1	159800860	ORVSCAOGNOIGMQ-FQEVSTJZSA-N	311.473	4.241	70	20	DIID	
CCCCn1ncc(NC(=O)N2C[C@@H](C)CCC[C@@H]2C)c1C	159865009	NVUFGVNCLATHFE-KBPBESRZSA-N	306.454	4.034	70	20	DIID	
CCC[C@H](C)CC(=O)O[C@H](c1c(C)nn(C)c1C)C(F)(F)F	159901724	QWDHQBPZPVCEFM-LKFCYVNXSA-N	320.355	4.010	70	20	DIID	
CCC[C@@H](C(=O)N[C@@H](CC)c1c(C)noc1C)c1ccccc1	160332863	PSLXTSBHZKHDPK-SJORKVTESA-N	314.429	4.443	70	20	DIID	
C[C@@H](NC(=O)NC1(C)CCC1)c1nc(-c2ccccc2)cs1	160951413	CRDKEJMKRAGHCE-GFCCVEGCSA-N	315.442	4.113	70	20	DIID	
C[C@H]1CN(C(=O)Nc2c(F)cc(F)cc2F)[C@H]1c1ccccc1	161319601	NCWNTRKAJPTRMB-MGPLVRAMSA-N	320.314	4.329	70	20	DIID	
CCCO[C@@H]1CCCN(CCSc2ccccc2F)CC1	217005638	KCJVKGUHFKRFSA-OAHLLOKOSA-N	311.466	4.199	70	20	DIID	
O=C(NCCCCc1ccccc1)NCc1cccc(Cl)c1	217314950	QGSAJSRULOEGLJ-UHFFFAOYSA-N	316.832	4.162	70	20	DIID	
Cc1cccc([C@@H](NC(=O)CC2=CCCCC2)c2ccccn2)c1	160107383	DVCMJICIRNHLGQ-OAQYLSRUSA-N	320.436	4.486	70	20	DIID	
CC(C)(C)CN(CC(C)(C)C)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1	160333459	BHQGHIHVMXIZIF-CVEARBPZSA-N	324.509	4.048	70	20	DIID	
Cc1cc(C(=O)N[C@@H]2CCSc3c(F)cccc32)ccc1F	216832193	HDMXBBBYUZQXBE-OAHLLOKOSA-N	319.376	4.240	70	20	DIID	
CO[C@@H](CNC(=O)c1cc(C)ccc1C)c1ccccc1Cl	218312158	HFVLCGQXQDUZEE-KRWDZBQOSA-N	317.816	4.074	70	20	DIID	
CC(C)(C)c1nsc(N[C@H]2CCO[C@H](c3ccccc3)C2)n1	160357628	UFPCKJDKNAOTBZ-KBPBESRZSA-N	317.458	4.168	70	20	DIID	
CC[C@H](C)OCC(=O)N(CC)[C@H](C)c1cc2ccccc2o1	160803952	ISCPKBRBEVOJGX-UONOGXRCSA-N	303.402	4.157	70	20	DIID	
CC(=O)Nc1ccc(NCc2cc(F)cc(Cl)c2)cc1C	160835709	GZPDUCCGPDXGCR-UHFFFAOYSA-N	306.768	4.358	70	20	DIID	
Cc1occc1CN(C)Cc1ncc(-c2ccccc2F)o1	159569284	CIQAADAKCLKRDW-UHFFFAOYSA-N	300.333	4.014	70	20	DIID	
O=C(Nc1ccc(C(F)(F)F)cc1Cl)N1CCCCC1	160576115	YXNOOPZKVSGTDQ-UHFFFAOYSA-N	306.715	4.377	70	20	DIID	
Cc1cc(N[C@@H]2CCO[C@H](c3ccccc3)C2)nc(C(C)C)n1	160602269	HZCUCICQQSTEOL-SJORKVTESA-N	311.429	4.241	70	20	DIID	
COCc1ccc([C@H]2CCCN2C(=O)c2cc(C)ccc2C)o1	161317175	FTOFIPJNYDAAEI-QGZVFWFLSA-N	313.397	4.020	70	20	DIID	
Cc1nccc(NC(=O)NC[C@H](C)Cc2cccs2)c1Cl	159831481	GXJPGTBKTVBQDH-SNVBAGLBSA-N	323.849	4.105	70	20	DIID	
CC[C@H](C)CN(CC)[C@@H](C)c1nnc(-c2ccc(C)cc2)o1	160544929	CDWNNWVFZBZVMK-ZFWWWQNUSA-N	301.434	4.474	70	20	DIID	
CC[C@H](NC(=O)c1ccc2c(c1)CCCC2)c1c(C)noc1C	160680759	ZMCHIOBZXDNKOL-KRWDZBQOSA-N	312.413	4.051	70	20	DIID	
CC(C)C[C@H](NCc1ccc(CN(C)C)cc1)c1ccccn1	160855231	OCDQVYXBGXSEKO-FQEVSTJZSA-N	311.473	4.020	70	20	DIID	
C[C@@H](CC(=O)N[C@@H](C)c1c(F)cccc1Cl)c1ccncc1	161237930	RCDBJJSTLJXYBP-RYUDHWBXSA-N	320.795	4.245	70	20	DIID	
C[C@H]1CC[C@H](C)N1C(=O)CCc1ccc(-c2ccccc2F)o1	161450889	JKGYWYGAFGFIGT-KBPBESRZSA-N	315.388	4.418	70	20	DIID	
CCC(CC)CC(=O)N(CC(F)(F)F)c1nc(C)cs1	160514243	XNBWSURLEBBRIA-UHFFFAOYSA-N	308.369	4.173	70	20	DIID	
COc1ccc(C(C)(C)C(=O)N(Cc2ccccc2)C2CC2)cc1	160607479	MFJZFSTUMYSDTQ-UHFFFAOYSA-N	323.436	4.164	70	20	DIID	
Cc1cccc([C@H]2CCCN2C(=O)CNc2ccccc2)c1C	160721568	OLSXBIFPRPMNLH-LJQANCHMSA-N	308.425	4.079	70	20	DIID	
C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NCc2ccco2)C1	161325513	RWHRQSCHORPMJF-HUUCEWRRSA-N	312.413	4.010	70	20	DIID	
CC[C@@H](C(=O)NC1CCC(OC(C)C)CC1)c1ccc(F)cc1	161340118	QPZHAINBENKJHE-DAWZGUTISA-N	321.436	4.172	70	20	DIID	
CC[C@@H](C)C(=O)Nc1c(C)cnn1[C@H]1CCCc2ccccc21	161397156	HGIZSSCGPDNOMF-DYVFJYSZSA-N	311.429	4.102	70	20	DIID	
CC[C@H](NC(=O)C[C@@H](C)c1ccc(F)cc1)c1c(C)noc1C	160071813	WOCJRARUIGTJJM-BZNIZROVSA-N	318.392	4.192	70	20	DIID	
CC(C)c1ccc([C@@H]2CCCCN2C(=O)c2csnn2)cc1	160390479	WWLRRHJHGKRHSV-INIZCTEOSA-N	315.442	4.029	70	20	DIID	
Cc1cccc(-c2cncc(C(=O)N(C)c3cccc(C)n3)c2)c1	160975553	TZQDVQBTYLIXKD-UHFFFAOYSA-N	317.392	4.037	70	20	DIID	
Cc1ccc(C)c(OC(=O)c2cc3cnn(C(C)C)c3nc2C)c1	217044579	XDBBUDOGKRQQNZ-UHFFFAOYSA-N	323.396	4.157	70	20	DIID	
CCCC(O)(CCC)CC(=O)N1CCC[C@@H]1c1ccsc1	159991960	SXGQYCGDWGOCAX-OAHLLOKOSA-N	309.475	4.133	70	20	DIID	
CCO[C@@H](C)c1nc(COc2ccc3[nH]ccc3c2)cs1	160042394	RNLGNEGKGLMCQQ-NSHDSACASA-N	302.399	4.301	70	20	DIID	
Cc1csc(-c2cccc(C(=O)NCC3(C4CC4)CC3)c2)n1	160098883	DJPMIZPUQGAIGW-UHFFFAOYSA-N	312.438	4.039	70	20	DIID	
CSc1ccsc1C(=O)N[C@@H]1CCCc2sccc21	160149878	XMYZTNMYSRYESO-SNVBAGLBSA-N	309.481	4.339	70	20	DIID	
CCNC(=O)c1cccc(CN[C@H](CC)c2ccc(CC)cc2)c1	160179138	KCENKZLMFAQAAK-HXUWFJFHSA-N	324.468	4.240	70	20	DIID	
Cc1ccc(C(=O)N2CC[C@H](Oc3ccccc3Cl)C2)s1	161246217	LYBPYKSTPKEXOM-LBPRGKRZSA-N	321.829	4.003	70	20	DIID	
COCc1ccc([C@H]2CCCN2C(=O)CC2CCCCC2)o1	161508888	MOLZADBWGOOKMK-MRXNPFEDSA-N	305.418	4.060	70	20	DIID	
Cc1cccc([C@@H]2CCCN2Cc2cccc(OC(F)F)c2)n1	159720416	ROQBWQYUGHFEAS-KRWDZBQOSA-N	318.367	4.329	70	20	DIID	
CC(C)OCc1cccc(NC(=O)N2CC[C@@H](C)[C@H](C)C2)c1	160256539	QTBFVZVVMZMHCU-HUUCEWRRSA-N	304.434	4.121	70	20	DIID	
CCCNC(=O)c1cccc(CN[C@@H](C)c2cccc(C)c2C)c1	160573621	FQTZIHVNVJOZKZ-KRWDZBQOSA-N	324.468	4.294	70	20	DIID	
CCc1nc2c(s1)[C@H](N(C)C(=O)c1ccc(Cl)o1)CCC2	161001524	FCSBLNMQJVUUAG-SNVBAGLBSA-N	324.833	4.102	70	20	DIID	
Cc1ccccc1N(Cc1cc2ccccc2[nH]c1=O)C(C)C	217138831	QUYQHDDXGFYCFG-UHFFFAOYSA-N	306.409	4.252	70	20	DIID	
CCC(CC)CC(=O)Nc1cc(C(=O)NC(C)C)ccc1Cl	159700903	XGZLNESPFYHQJP-UHFFFAOYSA-N	324.852	4.243	70	20	DIID	
Cc1ncc([C@H](C)NCCSc2ccc(Cl)cc2)c(C)n1	160060650	IRZAMGLYSRJRJF-NSHDSACASA-N	321.877	4.190	70	20	DIID	
CC(=O)Nc1cc(NC(=O)C(C)(C)C2CCCC2)ccc1C	159820892	KZVHVZPMFMIHHF-UHFFFAOYSA-N	302.418	4.108	70	20	DIID	
CC[C@H](S[C@H](C)C(=O)Nc1cc(C)no1)c1ccc(F)cc1	161340255	VMNQIIYOYMLAIJ-RISCZKNCSA-N	322.405	4.334	70	20	DIID	
CC[C@H](CC1CCCC1)C(=O)N[C@@H]1CCOC2(CCCC2)C1	159636201	UOHRHWBDKWQYAP-IAGOWNOFSA-N	307.478	4.201	70	20	DIID	
CC[C@@H](N[C@@H](CCO)CSC)c1ccc(Cl)c(Cl)c1	160212687	GLRLCCHQWBNBOA-SMDDNHRTSA-N	322.301	4.148	70	20	DIID	
CC[C@@H](N[C@H](C)c1nc(C(C)(C)C)no1)c1ccc(F)cc1F	161028808	IISIUEUYPNGYDX-QMTHXVAHSA-N	323.387	4.447	70	20	DIID	
Cc1ccc(-c2nnc(S[C@H](C)C(F)(F)F)o2)cc1C	161074552	VEFPVXLFMDMEAW-SECBINFHSA-N	302.321	4.396	70	20	DIID	
O=C(CCc1cc(F)ccc1F)N[C@@H]1CCCc2sccc21	159996600	FNDFCNUJCVBFHN-OAHLLOKOSA-N	321.392	4.153	70	20	DIID	
CC[C@@H](NC(=O)C[C@H](C)C1CCCCC1)c1c(C)noc1C	160503032	JDDWIZNEOLWCCI-BLLLJJGKSA-N	306.450	4.465	70	20	DIID	
CC[C@]1(C)C[C@@H]1C(=O)Nc1ccc(NC(=O)CC(C)C)cc1	160857598	LIZHWGUBEOZOGT-CRAIPNDOSA-N	302.418	4.046	70	20	DIID	
COc1cccc(CCNC(=O)Nc2ccc(C)c(Cl)c2)c1	217416812	HWXHBRVIIFWCCJ-UHFFFAOYSA-N	318.804	4.021	70	20	DIID	
Cc1ccc(C(=O)CCN(C)[C@H](C)c2sc(C)nc2C)cc1	159545317	KJDDWRCDWZXJSF-CQSZACIVSA-N	316.470	4.334	70	20	DIID	
CCCc1cc(C(=O)N[C@@H]2CCOC3(CCCC3)C2)sc1C	159571169	CRWAYLCLDBNMSK-OAHLLOKOSA-N	321.486	4.231	70	20	DIID	
CC(C)(C)c1cnc([S@@](=O)Cc2ccc(Cl)cc2)s1	160579945	MGFVNRXRCKCVDK-LJQANCHMSA-N	313.875	4.402	70	20	DIID	
C[C@H]1CSc2ccccc2N(C(=O)c2ccnc(Cl)c2)C1	159546744	IGEZZMVXTGIWTE-LLVKDONJSA-N	318.829	4.124	70	20	DIID	
Cc1cc([C@@H](C)NC(=O)C[C@H](C)c2ccncc2)c(C)s1	159682595	HJFICUWPUPBFAE-WCQYABFASA-N	302.443	4.131	70	20	DIID	
Cc1ccc(C)c(NC(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)c1	160916255	SODUCVOFUQISLV-PKOBYXMFSA-N	324.424	4.345	70	20	DIID	
C[C@H]1CC[C@H](C)N1C(=O)c1csc(-c2cccc(Cl)c2)n1	161433389	DFXJHQQOWCPMAH-QWRGUYRKSA-N	320.845	4.477	70	20	DIID	
COc1ccc2cc([C@H](C)N[C@@H]3CCOC(C)(C)C3)ccc2c1	159967654	RCQONUSLQQHDRQ-KBXCAEBGSA-N	313.441	4.457	70	20	DIID	
CC[C@H](CC(=O)Nc1c(F)cccc1F)c1ccc(OC)cc1	160078009	FYWFDQXIPFKWHN-GFCCVEGCSA-N	319.351	4.496	70	20	DIID	
Cc1cc(Cl)ccc1C(=O)NCCc1csc(C(C)C)n1	160735296	DUUXLJYZOMVXBL-UHFFFAOYSA-N	322.861	4.201	70	20	DIID	
Cc1ccc(NC(=O)N[C@@H](C[C@H]2CCOC2)c2ccccc2)cc1	159771161	DUXCTLWXGKHCKK-APWZRJJASA-N	324.424	4.284	70	20	DIID	
COc1cc(C(=O)Nc2cc(C(C)C)c(O)cc2C)ccc1F	159896524	DNBVGFZXMPGGNI-UHFFFAOYSA-N	317.360	4.224	70	20	DIID	
CC(C)(C)c1ccccc1NC(=O)COc1ccc2[nH]ccc2c1	160036428	OHOKRARTNVRFFB-UHFFFAOYSA-N	322.408	4.483	70	20	DIID	
CC(C)N(CC(F)F)C(=O)[C@H](C)Cc1cccc(Cl)c1	160095575	HGCKQWGUUFMCDI-LLVKDONJSA-N	303.780	4.021	70	20	DIID	
O=C(Nc1ccc2nc(Cc3ccccc3)oc2c1)C1CC=CC1	160505307	FPHUYLZPKBTZKV-UHFFFAOYSA-N	318.376	4.323	70	20	DIID	
C[C@@H](c1ccco1)N(C)C(=O)c1cncc(-c2ccccc2)c1	161437881	BELAHGBKLJEFTP-AWEZNQCLSA-N	306.365	4.175	70	20	DIID	
CCOc1ccc(NC(=O)Nc2ccccc2C)cc1OCC	217310815	GDBWBEBYETZUBD-UHFFFAOYSA-N	314.385	4.436	70	20	DIID	
O=C(NCC1(C2CC2)CC1)[C@H]1C[C@H]1c1ccccc1C(F)(F)F	160058405	AHNBXTHRLLQXKJ-KBPBESRZSA-N	323.358	4.115	70	20	DIID	
Cc1cccc(NC(=O)NCCC[C@@H]2CCCC[C@H]2O)c1Cl	160271347	UGTRKDYDMWTKTC-DZGCQCFKSA-N	324.852	4.101	70	20	DIID	
CCCNC(=O)c1cccc(CN[C@@H](C)c2ccc(C)c(C)c2)c1	160590632	NAMVMODIYSKUKF-KRWDZBQOSA-N	324.468	4.294	70	20	DIID	
CSc1cc(C(=O)N(C)c2ccc(F)c(F)c2)ccc1F	160805147	QDHHEOCDDBITMG-UHFFFAOYSA-N	311.328	4.102	70	20	DIID	
O=C(CCCc1cccs1)N[C@H]1CCOC2(CCCCC2)C1	160870708	MJHRICHBAZCFQQ-HNNXBMFYSA-N	321.486	4.069	70	20	DIID	
Fc1ccc(CN(Cc2ccnc(Cl)c2)CC2CC2)cc1	217213877	VWTRMSMPOYUPST-UHFFFAOYSA-N	304.796	4.286	70	20	DIID	
C[C@@H](N[C@H](C)c1ccccn1)c1ccc(OCC2CC2)c(F)c1	159374638	SKNWSSZYMXLLCA-ZIAGYGMSSA-N	314.404	4.421	70	20	DIID	
C[C@H](NC(=O)[C@H](C)Cc1cccc(Cl)c1)c1cccc(O)c1	160259313	JNFAAKZHYGZUJB-OLZOCXBDSA-N	317.816	4.102	70	20	DIID	
CC[C@@H](CC(=O)N[C@H](CC)c1c(C)noc1C)c1ccccc1	160304489	XFKHYKOFGPPSJA-DOTOQJQBSA-N	314.429	4.443	70	20	DIID	
CCCNC(=O)c1cccc(CN[C@@H](C)c2ccc(C)s2)c1	160560837	LBHSANBPSNYUCL-AWEZNQCLSA-N	316.470	4.047	70	20	DIID	
CCC[C@@H]1[C@H](C)CCCN1CC1CCN(C(=O)C(C)(C)C)CC1	160622644	DHAKKLWNEMCVSL-SJLPKXTDSA-N	322.537	4.172	70	20	DIID	
C[C@@H](NC[C@H](Cc1ccccc1)c1ccccc1)c1cnn(C)c1	161245214	OUTPIVDLKLRHTG-XLIONFOSSA-N	319.452	4.097	70	20	DIID	
Cc1cc(C)c(NC(=O)NCCc2ccc(F)cc2)c(Cl)c1	217531148	GZNWJFVJHQWBMK-UHFFFAOYSA-N	320.795	4.460	70	20	DIID	
CCOc1ccc([C@@H](C)N[C@H]2CCCSC2)cc1OCC	159648962	DMONLEIDGLYFKD-HIFRSBDPSA-N	309.475	4.030	70	20	DIID	
CCn1nccc1CN[C@H](C)c1ccc(-c2ccccc2)cc1	159878808	ALEXQPHBLGPHMU-MRXNPFEDSA-N	305.425	4.421	70	20	DIID	
CC[C@H](NC(=O)C(C)(C)Cc1ccccc1)c1c(C)noc1C	159979856	IDOYCDSQFZMHSO-INIZCTEOSA-N	314.429	4.128	70	20	DIID	
COc1ccc(N(C)C(=O)C2(c3ccccc3)CC2)cc1Cl	159987244	OUBZDUABRHPXKF-UHFFFAOYSA-N	315.800	4.043	70	20	DIID	
COc1cccc(CCCN2CCC[C@H]2c2cccc(C)n2)c1	160026466	OIJVGQWEPCQSFZ-FQEVSTJZSA-N	310.441	4.168	70	20	DIID	
O=C(Nc1cccc(OCCF)c1)C1(c2ccccc2)CCC1	160669511	RODIARUIJCAOOR-UHFFFAOYSA-N	313.372	4.095	70	20	DIID	
COc1ccccc1[C@H](NC(=O)NC1(C)CCC1)c1ccccc1	160994316	COUMOUKXIYEXCI-GOSISDBHSA-N	324.424	4.026	70	20	DIID	
CCSc1cc(Cl)ccc1C(=O)Nc1ccc(C)nc1	161275390	DVNUYSGRNVGDTM-UHFFFAOYSA-N	306.818	4.408	70	20	DIID	
CC(C)n1nccc1C(=O)N(c1ccccc1F)C1CCCC1	161296369	VOCSVYHENCVHCN-UHFFFAOYSA-N	315.392	4.193	70	20	DIID	
Cc1ccsc1[C@H]1C[C@H]1C(=O)N(Cc1ccccc1)C1CC1	160446883	JRQAKEXZMQKTCB-DLBZAZTESA-N	311.450	4.351	70	20	DIID	
C[C@H]1Cc2ccc(F)cc2[C@@H]1N[C@@H](CCCO)c1ccccc1	160922433	CBADYYVVGPQYMB-PNHOKKKMSA-N	313.416	4.162	70	20	DIID	
Cc1cccc(CNC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c1	217314471	RJWMVMBRBAXNIX-MRXNPFEDSA-N	322.452	4.434	70	20	DIID	
C[C@H]1CN(C(=O)c2cc(F)cc3cccnc23)c2ccccc21	160650533	WGBMIHFBSLHNQE-LBPRGKRZSA-N	306.340	4.138	70	20	DIID	
CC1(C)C[C@H](Nc2nc(-c3ccc(F)cc3)cs2)CCO1	160677891	GGWSDLIWXJOLDD-CYBMUJFWSA-N	306.406	4.319	70	20	DIID	
C[C@H](CC(=O)Nc1ccc(CC(F)(F)F)cc1)c1ccncc1	160797349	ZAFUTEFMZKKYFQ-GFCCVEGCSA-N	322.330	4.319	70	20	DIID	
CC(=O)Nc1ccc(CCN[C@H](C)c2cc(C)ccc2C)cc1	160884954	PBLIFDAYENPVPD-MRXNPFEDSA-N	310.441	4.155	70	20	DIID	
O=C(NCCc1ccccc1F)Nc1ccc2ccccc2c1	217351319	DAJNWFXRHGXJQP-UHFFFAOYSA-N	308.356	4.343	70	20	DIID	
CC(C)CC[C@H](C)NC(=O)N[C@H]1CCSc2c(F)cccc21	218053281	KBQCBEYNDMHQAF-WFASDCNBSA-N	324.465	4.487	70	20	DIID	
C[C@@H](NCCOCC(F)(F)F)c1ccc(-c2ccccc2)o1	159371253	FNUQANMWUCYFPJ-GFCCVEGCSA-N	313.319	4.176	70	20	DIID	
CC[C@H](NC(=O)C[C@H](C)c1ccc(F)cc1)c1c(C)noc1C	160072029	WOCJRARUIGTJJM-ZBEGNZNMSA-N	318.392	4.192	70	20	DIID	
Cc1ccc(CN[C@@H](C)c2cccc(OC(F)(F)F)c2)cn1	161322861	MJVFUUMLIBWXBE-LBPRGKRZSA-N	310.319	4.139	70	20	DIID	
C[C@H]1C[C@@H](NC[C@@H](CO)c2ccccc2)c2ccsc2S1	161468437	HZYSQMGDAVTTJX-DUVNUKRYSA-N	319.495	4.039	70	20	DIID	
CC(C)(C)c1ncsc1C(=O)N1CCc2c(Cl)cccc21	161472070	RRIFNXBJKRZRLY-UHFFFAOYSA-N	320.845	4.297	70	20	DIID	
CCCn1nccc1CN[C@@H](C)c1ccc(Cl)c(Cl)c1	159978856	ODPWAXHIASDVIY-NSHDSACASA-N	312.244	4.451	70	20	DIID	
CC[C@H](NC(=O)Cc1cccc2ccccc12)c1c(C)noc1C	160062692	KFXIVRCLKDNDGH-SFHVURJKSA-N	322.408	4.255	70	20	DIID	
COc1ccccc1[C@@H]1CCCN1Cc1sc(C)nc1C	160423703	MIGQXCWPIJSWTE-HNNXBMFYSA-N	302.443	4.106	70	20	DIID	
FC(F)(F)c1cccc(N[C@H]2CCO[C@H](c3ccccc3)C2)n1	160544531	XFPVNMKZAWRRNV-KBPBESRZSA-N	322.330	4.433	70	20	DIID	
CC[C@H](N[C@@H](CCCO)c1ccccc1)c1ccc(OC)cc1	160768996	MSPKJQSBAOLLOI-PMACEKPBSA-N	313.441	4.250	70	20	DIID	
Cc1n[nH]c(C)c1[C@H](C)CC(=O)N[C@@H](C)CCC1CCCCC1	159667864	ILQVJSCANQRBKT-KGLIPLIRSA-N	319.493	4.385	70	20	DIID	
CCSc1cc(Cl)ccc1C(=O)Nc1cnccc1C	159806680	DEEJRQJQURHXKZ-UHFFFAOYSA-N	306.818	4.408	70	20	DIID	
CC(C)n1cc(NC(=O)N[C@H]2CC(C)(C)c3ccccc32)cn1	160244227	UCPQNMYMQVESHK-INIZCTEOSA-N	312.417	4.008	70	20	DIID	
CC[C@H](CN[C@H](C)c1cncs1)Oc1ccccc1Cl	160439527	GDJGNJWKVKBBSN-VXGBXAGGSA-N	310.850	4.305	70	20	DIID	
CC[C@@H](CC(=O)Nc1ccc(OC)c(N)c1)c1ccc(C)cc1	161027111	WIDMKCYJIAIXBE-AWEZNQCLSA-N	312.413	4.108	70	20	DIID	
CC[C@H](C(=O)NC[C@@H]1[C@H]2Cc3ccccc3[C@@H]21)c1ccc(F)cc1	161223794	HHSWARPUGYZRFP-NBYUQASBSA-N	323.411	4.021	70	20	DIID	
O=C(Nc1ccc(-c2nc3ccccc3s2)cn1)C1CCCC1	216714195	IYRMMGRVIMTBNZ-UHFFFAOYSA-N	323.421	4.487	70	20	DIID	
CCOC(=O)[C@H](Sc1cc(F)ccc1F)c1ccccc1	218637144	HPJHSUYJUHHDCT-OAHLLOKOSA-N	308.349	4.361	70	20	DIID	
C[C@@H](C(=O)NCCCc1c[nH]c2ccccc12)c1cccs1	159419148	UKDXWQKIGMVVDT-CYBMUJFWSA-N	312.438	4.082	70	20	DIID	
Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N[C@H](C)CCC1CCCCC1	159667980	ILQVJSCANQRBKT-UONOGXRCSA-N	319.493	4.385	70	20	DIID	
Clc1nc(N[C@H]2CCO[C@@H](C3CC3)C2)cc2ccccc12	160448631	FAUZOMIMJDAZKY-DZGCQCFKSA-N	302.805	4.258	70	20	DIID	
CC[C@H](C)OCC(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1	160513140	OXRISGGBUQTPAJ-JTQLQIEISA-N	322.405	4.011	70	20	DIID	
Cc1cccc(C)c1NC(=O)CN(C)Cc1coc2ccccc12	160923515	HJDCPYFIQSFGMP-UHFFFAOYSA-N	322.408	4.120	70	20	DIID	
CC[C@@H](CNC(=O)C1(c2ccccc2F)CC1)c1ccccc1	217236418	AJCFKSRNYVHDEH-HNNXBMFYSA-N	311.400	4.167	70	20	DIID	
CN(CCOCc1ccccc1)C(=O)c1ccc2ccccc2c1	159388615	OMKGAYKSKFONNM-UHFFFAOYSA-N	319.404	4.129	70	20	DIID	
CCOc1cc(C)ccc1NC(=O)c1ccc(Cl)nc1C	159464609	VLPVIYMXKYYGIX-UHFFFAOYSA-N	304.777	4.003	70	20	DIID	
OCc1ccc(CNc2ccccc2OCCc2ccccc2)o1	160270611	TZSXPNFKZMLXFG-UHFFFAOYSA-N	323.392	4.006	70	20	DIID	
CCOc1ccccc1NC(=O)[C@@H]1C[C@H]1c1sccc1C	160358378	KVJPUOCLUZOXMD-CHWSQXEVSA-N	301.411	4.197	70	20	DIID	
CC[C@@H](NC(=O)[C@H](CC)c1ccc(F)cc1)c1c(C)noc1C	161411681	SLDOMJYVPIFQAW-HZPDHXFCSA-N	318.392	4.192	70	20	DIID	
Cc1cc(C)c(CSc2nnc(-c3ccccn3)n2C)c(C)c1	159563356	GKIXSFMFYZSTOD-UHFFFAOYSA-N	324.453	4.095	70	20	DIID	
O=C(NCC1(C2CC2)CC1)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F	160058539	AHNBXTHRLLQXKJ-KGLIPLIRSA-N	323.358	4.115	70	20	DIID	
O=C(CCc1ccc(F)cc1F)N[C@@H]1CCCc2sccc21	160066710	IWIDFGYBKRUXST-OAHLLOKOSA-N	321.392	4.153	70	20	DIID	
Cc1nn(C(C)(C)C)cc1[C@H](C)Nc1nc(C(C)(C)C)ns1	160368129	PLESYKLJXJPJBN-JTQLQIEISA-N	321.494	4.269	70	20	DIID	
COc1cccc(CCNC(=O)Nc2cccc(Cl)c2C)c1	217417013	IEYCHCVCABIONA-UHFFFAOYSA-N	318.804	4.021	70	20	DIID	
CCS[C@H]1CCC[C@@H](N[C@@H](C)c2cccc(NC(C)=O)c2)C1	159364671	BSLMTAWJZGCTRV-VHSSKADRSA-N	320.502	4.360	70	20	DIID	
C[C@H](N[C@H]1CCSc2ccc(Cl)cc21)C1CCOCC1	159474270	LJRPECGUYFPLSV-NHYWBVRUSA-N	311.878	4.282	70	20	DIID	
COCCCCNC(=O)N1CCC[C@@H]1c1ccc(C(C)C)cc1	159825430	VGBMFSAVAPRGGN-GOSISDBHSA-N	318.461	4.083	70	20	DIID	
C[C@H](NCCSc1ccc(Cl)cc1)c1cncc(F)c1	160080647	KQLLAERLMLRGDK-NSHDSACASA-N	310.825	4.317	70	20	DIID	
CCCCn1ncc(NC(=O)N[C@@H](C)C2CCCCC2)c1C	160169089	XLVVZCBPYULRGT-ZDUSSCGKSA-N	306.454	4.082	70	20	DIID	
Cc1ccc([C@H](C)N(C)C(=O)c2nc3ccccc3s2)cc1	161493288	GBDRARYVJHSELG-ZDUSSCGKSA-N	310.422	4.438	70	20	DIID	
COc1ccc(Cl)cc1N(C)C(=O)CSCCC(C)C	217194359	KOYUPUHMZSSMFF-UHFFFAOYSA-N	315.866	4.091	70	20	DIID	
CC(C)(C)CC(=O)NCC1(c2cccc(Br)c2)CC1	217205612	OEFLWLZXMQLKHS-UHFFFAOYSA-N	324.262	4.033	70	20	DIID	
CCCCOCCCNC(=O)Nc1ccccc1C(F)(F)F	217304179	YYSGFOBLVUHBLB-UHFFFAOYSA-N	318.339	4.034	70	20	DIID	
COc1ccc([C@H](C)NC(=O)NCCC2CCCCC2)cc1	217305085	JUHUYVZYDNYJDG-AWEZNQCLSA-N	304.434	4.026	70	20	DIID	
CC1(C)C[C@H](NCc2ccc(SC(F)(F)F)cc2)CCO1	160600117	IIFUDKKCOMOHFT-GFCCVEGCSA-N	319.392	4.346	70	20	DIID	
c1cnc2ccc(OCc3noc(C4CCCCC4)n3)cc2c1	160735143	HWDBKLFDGWLCLE-UHFFFAOYSA-N	309.369	4.245	70	20	DIID	
Cc1cccc([C@H](C)C(=O)N[C@H]2CCOC3(CCCCC3)C2)c1	160830968	MTTAZDISRJEPIY-WMZOPIPTSA-N	315.457	4.097	70	20	DIID	
Cc1noc(C)c1[C@H](C)CC(=O)NCC(C)(C)C1CCCC1	161453153	QGKKXJQFCJIXCH-GFCCVEGCSA-N	306.450	4.118	70	20	DIID	
CCc1ccc([C@@H](C)NC(=O)NCc2cccc(Cl)c2)cc1	217314850	VFIVTBXXCMXSRV-CYBMUJFWSA-N	316.832	4.463	70	20	DIID	
CC[C@@H](N[C@H](C)C(=O)N1CCC(C)CC1)c1ccc(Cl)cc1	218034364	KJJNSWQNLGEGOH-RHSMWYFYSA-N	322.880	4.028	70	20	DIID	
CCC(CC)(CC)CNC(=O)N1CCC[C@H]1c1ccncc1	159740387	QVDGKFOXTRYPSY-INIZCTEOSA-N	303.450	4.145	70	20	DIID	
C[C@H](Nc1ccccc1O[C@H]1CCOC1)c1cc(F)ccc1F	159981054	SGNLKISKCKWXJB-JSGCOSHPSA-N	319.351	4.306	70	20	DIID	
COc1cccc(Cl)c1C(=O)N[C@@H]1CCCc2sccc21	160040160	NGZNTIVPSOQJTH-GFCCVEGCSA-N	321.829	4.218	70	20	DIID	
CC(C)Oc1ccc(CN[C@@H](C)c2cc3ccccc3o2)cn1	160102987	YSEMUONOXVYPGM-AWEZNQCLSA-N	310.397	4.466	70	20	DIID	
CC[C@@H](NC(=O)c1cccc2ccc(C)nc12)c1c(C)noc1C	160260890	MKNLQRDDJNADOX-MRXNPFEDSA-N	323.396	4.029	70	20	DIID	
Cc1cc(Cl)ccc1NC(=O)c1csc([C@@H]2CCCO2)n1	160604511	LKHAJLZNVYGIRK-ZDUSSCGKSA-N	322.817	4.209	70	20	DIID	
CCCCOc1ccc(NC(=O)c2ccnn2C(C)C)c(C)c1	160289098	VEWWSWXRHMPGQJ-UHFFFAOYSA-N	315.417	4.204	70	20	DIID	
CCc1ccc(NC(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)cc1	161016864	JGSDMWUQPYELQH-MOPGFXCFSA-N	324.424	4.291	70	20	DIID	
CCCCN(CCCC)C(=O)Nc1cnn(CCCC)c1C	159752534	VFTRHMOIBLUBKJ-UHFFFAOYSA-N	308.470	4.426	70	20	DIID	
CC[C@@H](C)c1cc(C(=O)N(C)c2ccc(OC)c(Cl)c2)on1	159971966	DDQSTEVFRWYVAY-SNVBAGLBSA-N	322.792	4.127	70	20	DIID	
CCn1nccc1CN[C@@H](CC(C)(C)C)c1ccc(F)cc1	160025549	ZPMCXUGGRXQMKX-KRWDZBQOSA-N	303.425	4.309	70	20	DIID	
CS[C@H](C)CC(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1	160817842	IKYDBYFXINQREG-SECBINFHSA-N	324.446	4.338	70	20	DIID	
Cc1cccc(N(C)C(=O)C23C[C@H]4C[C@@H](CC(F)(C4)C2)C3)c1	161242190	VYCNHXJRCWGYDU-QAQJPARQSA-N	301.405	4.266	70	20	DIID	
C[C@H](C(=O)NCCCc1c[nH]c2ccccc12)c1ccsc1	159419298	VIURGAXJQKHTLU-ZDUSSCGKSA-N	312.438	4.082	70	20	DIID	
COc1ccc(N(C)C(=O)c2cc(C)cc(C)c2)cc1Cl	159868804	OGIPYEKWJJLUIU-UHFFFAOYSA-N	303.789	4.242	70	20	DIID	
Fc1cc(Cl)cc(CNc2cccc(-c3ccn[nH]3)c2)c1	160883349	WHCCHSAGXREFQW-UHFFFAOYSA-N	301.752	4.481	70	20	DIID	
C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)C[C@H]1CCCN1	161038676	QXXRZLVJFWSYBT-OXJNMPFZSA-N	322.452	4.015	70	20	DIID	
Cc1ccc(NC(=O)C[C@H](C)c2ccncc2)c2cccnc12	159380400	JUICXDOGDNXCQW-AWEZNQCLSA-N	305.381	4.071	70	20	DIID	
COc1ccc(N(C)C(=O)c2oc3ccccc3c2C)cc1F	159832385	VBTYWOQRVUIWCJ-UHFFFAOYSA-N	313.328	4.166	70	20	DIID	
CCc1noc(C)c1CSCC(=O)Nc1ccc(C)c(C)c1	160057268	VBKOWTYIPWUNBS-UHFFFAOYSA-N	318.442	4.034	70	20	DIID	
CC(C)CC[C@H]1CCCN1CC1CCN(C(=O)C(C)(C)C)CC1	160301203	OPPUBHUUESDAKV-GOSISDBHSA-N	322.537	4.172	70	20	DIID	
OCCC[C@@H](N[C@@H](Cc1ccccc1)C1CC1)c1ccccc1	160688070	ROUBFYCIHCZTBW-RTWAWAEBSA-N	309.453	4.111	70	20	DIID	
Cc1ccccc1C[C@@H](C)N[C@H](C)c1ccc([S@](C)=O)cc1	160765245	YYYNNODXYSUIHS-XCGNWRKASA-N	315.482	4.014	70	20	DIID	
CC/C=C(/C)C(=O)Nc1ccc(CNC(=O)OC(C)(C)C)cc1	161263961	QUIBUMCNQWDKBA-QPEQYQDCSA-N	318.417	4.006	70	20	DIID	
CC(C)(C)OC(=O)NCCN[C@@H](c1cccs1)C1CCCC1	218122417	YGYDMGVCHPTTJM-OAHLLOKOSA-N	324.490	4.094	70	20	DIID	
O=C(Cc1ccc(-c2ccccc2)cc1)N1[C@H]2C=CC[C@H]1CC2	218735792	BLBSSRFIIWRYPC-PMACEKPBSA-N	303.405	4.216	70	20	DIID	
COc1ccc(N(C)C(=O)CCCc2ccc(C)s2)cc1F	159530092	ABYNZMGIHLJRQI-UHFFFAOYSA-N	321.417	4.190	70	20	DIID	
CCCC1(CNC(=O)Nc2ccc(NC(C)=O)cc2Cl)CC1	159996117	UPUAUGSGQRVAHQ-UHFFFAOYSA-N	323.824	4.000	70	20	DIID	
CC(C)CC[C@H]1CCCN1C(=O)c1csc([C@@H]2CCCO2)n1	160078856	JIXNVBDFXDEILN-HIFRSBDPSA-N	322.474	4.035	70	20	DIID	
Cc1ccc(NC(=O)N(CC2CC2)CC2CC2)cc1OC(F)F	160378428	XERSMNKRPOMIRO-UHFFFAOYSA-N	324.371	4.250	70	20	DIID	
CS[C@@H](C)CC(=O)N[C@H](C)CCc1ccc(OC(C)C)cc1	160435632	DFQUKZBKITWIBC-CABCVRRESA-N	323.502	4.053	70	20	DIID	
CC[C@H](NC(=O)[C@@H](C)CC1CCCCC1)c1c(C)noc1C	160466865	KCUIDHMYCLZDAP-LRDDRELGSA-N	306.450	4.465	70	20	DIID	
Cc1cc(NC(=O)CCCCCO[C@@H]2CCC[C@@H](C)C2)no1	160483592	SSAFQBIJYROAHG-UKRRQHHQSA-N	308.422	4.077	70	20	DIID	
CC(C)(C)c1cnc([S@](=O)Cc2cccc(Cl)c2)s1	160509468	NXBOMCLQRHBOLV-IBGZPJMESA-N	313.875	4.402	70	20	DIID	
CCCOc1cccc(NC(=O)N2CC[C@@H]3CCCC[C@@H]32)c1	160662967	BNGHXLWYVTYQGB-YOEHRIQHSA-N	302.418	4.272	70	20	DIID	
Cc1n[nH]c(C)c1NC(=O)CCCCCO[C@H]1CCC[C@@H](C)C1	161177680	SILAGDWYIDNZKM-CJNGLKHVSA-N	321.465	4.121	70	20	DIID	
Cc1cccc(C(=O)N(C)Cc2c(F)cccc2Cl)c1F	161401122	MUSLSTNWHKTYJW-UHFFFAOYSA-N	309.743	4.199	70	20	DIID	
Cc1ccc(C(C)C)c(OS(=O)(=O)Cc2ccc(F)cc2)c1	218266420	WTMLBJCBJNWQOB-UHFFFAOYSA-N	322.401	4.166	70	20	DIID	
C[C@H](Cc1cccc(Cl)c1)C(=O)N(C)Cc1ccsc1	159742876	FVVZJSIZVZUZNO-GFCCVEGCSA-N	307.846	4.239	70	20	DIID	
CC(C)(C)CN(CC(C)(C)C)C(=O)N[C@H]1CCO[C@@H](C2CC2)C1	160333878	BHQGHIHVMXIZIF-JKSUJKDBSA-N	324.509	4.048	70	20	DIID	
O=C(Nc1cccc2ccccc12)c1csc([C@H]2CCCO2)n1	160599834	RUIKNSOJDIMBMI-MRXNPFEDSA-N	324.405	4.400	70	20	DIID	
Fc1cc(Cl)cc(CNCc2ccc(OC(F)F)cc2)c1	160821426	SFUDJZHEKLEWIJ-UHFFFAOYSA-N	315.722	4.370	70	20	DIID	
Fc1c(Cl)cccc1CNc1ccccc1-n1cccn1	161025788	DJWIGNXSUBPJPV-UHFFFAOYSA-N	301.752	4.277	70	20	DIID	
CN(C)c1ccc(CN[C@@H](c2ccccc2)C2CCCC2)cn1	161243850	WIRRHMFERBFMJP-FQEVSTJZSA-N	309.457	4.169	70	20	DIID	
CC(C)c1ccc([C@@H](C)CC(=O)N(C)C[C@@H]2CCCOC2)cc1	159448613	ATZHAZXJZMZKGG-IRXDYDNUSA-N	317.473	4.189	70	20	DIID	
CC1=C(C(=O)Nc2cccc(-c3csc(C)n3)c2)CCCO1	159551330	XVAJQXFQMYVWAU-UHFFFAOYSA-N	314.410	4.141	70	20	DIID	
C[C@@H](O)C[C@@H](CNC(=O)CCCC1CCCC1)c1ccccc1	159745181	OVWMUJQOQZCJAY-APWZRJJASA-N	317.473	4.018	70	20	DIID	
Fc1ccc(C2(CNC3CCN(c4ccccc4)CC3)CC2)cc1	161363671	ISGDGPXZJURCDT-UHFFFAOYSA-N	324.443	4.116	70	20	DIID	
CC[C@H](CNC(=O)C1(c2ccccc2F)CC1)c1ccccc1	217236421	AJCFKSRNYVHDEH-OAHLLOKOSA-N	311.400	4.167	70	20	DIID	
CCCCn1ncc(NC(=O)N2CCC[C@@H]2CCC(C)C)c1C	159916071	XGXSSVSGLVOATE-MRXNPFEDSA-N	320.481	4.424	70	20	DIID	
Cc1ccc(NC(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)c(C)c1	160934667	QPZVMRPVIFYZPU-HKUYNNGSSA-N	324.424	4.345	70	20	DIID	
CC[C@H](NC(=O)c1ccc2ccccc2c1)c1c(C)noc1C	160677581	JXEPHOCNJAVXKX-KRWDZBQOSA-N	308.381	4.326	70	20	DIID	
C[C@@H]1CSc2ccccc2N(C(=O)CC[C@H]2CC[C@H](C)O2)C1	159569141	LIUNFOVESDQVDE-SOUVJXGZSA-N	319.470	4.109	70	20	DIID	
COc1ccc2cc([C@@H](C)N[C@H]3CCOC(C)(C)C3)ccc2c1	159968048	RCQONUSLQQHDRQ-KDOFPFPSSA-N	313.441	4.457	70	20	DIID	
CS[C@H](C)CC(=O)N[C@H](C)CCc1ccc(OC(C)C)cc1	160435408	DFQUKZBKITWIBC-HUUCEWRRSA-N	323.502	4.053	70	20	DIID	
CC[C@H]1CCCC[C@@H]1NCc1nnc(-c2ccccc2)s1	161430461	ZFLCAMQIOHCWAW-ZFWWWQNUSA-N	301.459	4.264	70	20	DIID	
CCc1cccc(N[C@H](C)C(=O)Nc2cccc(SC)c2)c1	218737965	COWQFVFCNVCGII-CYBMUJFWSA-N	314.454	4.410	70	20	DIID	
Cc1ccc(Cc2nc(C(=O)N3[C@@H](C)CC[C@@H]3C)cs2)cc1	159894419	PRZDEPFKFWBUPT-KBPBESRZSA-N	314.454	4.055	70	20	DIID	
CCSCc1cccc(NC(=O)C[C@H](C)c2ccncc2)c1	160798867	UYUSHJYKBJTDHU-AWEZNQCLSA-N	314.454	4.467	70	20	DIID	
CCc1cccc(CC)c1NC(=O)[C@@H](C)Sc1ccncc1	159879889	UBPKHCSXDCNDJK-CYBMUJFWSA-N	314.454	4.326	70	20	DIID	
CSCC[C@H](C)N(C)C(=O)c1ccc(F)cc1C(F)(F)F	159994154	SLGHKYYBJOHIAE-VIFPVBQESA-N	323.355	4.058	70	20	DIID	
CCN(C)C(=O)N[C@@H](c1ccc(C(F)(F)F)cc1)C(C)C	160446744	QUIFOSAXENWLSO-CYBMUJFWSA-N	302.340	4.064	70	20	DIID	
COc1ccc([C@H](NC(=O)Nc2ccccc2)C(F)(F)F)cc1	161503903	GFJBZDUZCBWKMS-AWEZNQCLSA-N	324.302	4.120	70	20	DIID	
CC[C@@H](OC1CCCC1)C(=O)OCc1cc2ccccc2o1	217172328	ZPNJNVLVIJEEPL-MRXNPFEDSA-N	302.370	4.214	70	20	DIID	
O=C(NCCc1ccc(F)cc1)Nc1ccc2ccccc2c1	217527835	PCCLBWRYJXTVRL-UHFFFAOYSA-N	308.356	4.343	70	20	DIID	
CC(C)c1csc(CNC(=O)[C@@H]2CCCc3sccc32)n1	159370628	OCCIWHCRDLUNAU-GFCCVEGCSA-N	320.483	4.064	70	20	DIID	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCCc1cccc(Cl)c1	159698816	YNVSZYXIPULDDY-CABCVRRESA-N	319.857	4.172	70	20	DIID	
COc1ccc(NC(C)=O)cc1NCc1coc2ccccc12	159808950	KINGRUDCELUYFX-UHFFFAOYSA-N	310.353	4.012	70	20	DIID	
Clc1cccc(-c2nnc(CSc3ccncc3)o2)c1	159876758	KSYCXPHFXCWUDP-UHFFFAOYSA-N	303.774	4.077	70	20	DIID	
CCCCN(CC(F)(F)F)C(=O)c1ccc(F)c(Cl)c1	160043707	UZAJJQSKEBUHKQ-UHFFFAOYSA-N	311.706	4.284	70	20	DIID	
CC[C@@H](C)Oc1ccc(NC(=O)C[C@@H](C)c2ccncc2)cc1	160214244	IOGMWKUHOALJQH-HUUCEWRRSA-N	312.413	4.391	70	20	DIID	
CC[C@@H](CC(=O)N[C@@H](CC)c1c(C)noc1C)c1ccccc1	160304208	XFKHYKOFGPPSJA-RDJZCZTQSA-N	314.429	4.443	70	20	DIID	
C[C@H](CC(=O)NC(C)(C)c1ccc(Cl)cc1)c1ccncc1	160382744	XXVJOVMTOWDZCW-CYBMUJFWSA-N	316.832	4.280	70	20	DIID	
COc1ccc2oc([C@@H](C)NCc3ccc(C)nc3)c(C)c2c1	161299820	ORROSJNESBBAGD-CQSZACIVSA-N	310.397	4.304	70	20	DIID	
CCSCC[C@@H](C)N(C)C(=O)Nc1ccnc(C)c1Cl	159513271	OOAHTUMZCNMWTB-SNVBAGLBSA-N	315.870	4.039	70	20	DIID	
Clc1ccc(SCc2noc(C3CCCCC3)n2)nc1	159521451	GZRKSNFPHYLWDC-UHFFFAOYSA-N	309.822	4.458	70	20	DIID	
CC1CCN(c2cccc(NC(=O)N3CCCC[C@@H]3C)c2)CC1	159714651	PUXGYQKRGFRHMZ-INIZCTEOSA-N	315.461	4.329	70	20	DIID	
CC(C)CCOC1CCN(C(=O)C(C)(C)C2CCCC2)CC1	159972060	SSBFGKSXYZWIES-UHFFFAOYSA-N	309.494	4.257	70	20	DIID	
CC[C@@H](NC(=O)c1cc2cccc(F)c2o1)c1c(C)noc1C	160206508	ICNKRKJWFFUPKO-CYBMUJFWSA-N	316.332	4.058	70	20	DIID	
CCCCOc1cccc(CN[C@@H](C)c2cnc(C)nc2C)c1	160821704	OVUPSAUWMWOWSJ-AWEZNQCLSA-N	313.445	4.123	70	20	DIID	
Cc1ccsc1CCCC(=O)N[C@H](C)Cc1cccs1	161304880	MEWWSYOBKZAFHB-CYBMUJFWSA-N	307.484	4.188	70	20	DIID	
Cc1ccc(CN[C@H](C)c2cccc(-c3ccncc3)c2)cn1	161328916	KKDHFBYCLXSNCW-MRXNPFEDSA-N	303.409	4.303	70	20	DIID	
Cc1csc(-c2cccc(N[C@@H](C)CCn3cccn3)c2)n1	159439026	KKURLWWZGWWZAY-ZDUSSCGKSA-N	312.442	4.206	70	20	DIID	
CC1CCN(c2cccc(N[C@H](C)CCn3cccn3)c2)CC1	159469500	WRMXEMDPYNDVQU-QGZVFWFLSA-N	312.461	4.010	70	20	DIID	
COc1ccc(OC)c([C@H](C)N[C@@H]2CCc3c(C)cccc32)c1	159975132	LABQHNKMLXGQQQ-IFXJQAMLSA-N	311.425	4.350	70	20	DIID	
CC(C)c1cc(-c2nc(Cc3ccc(Cl)cc3)no2)no1	160859493	CXIZMNHVYCHXEY-UHFFFAOYSA-N	303.749	4.092	70	20	DIID	
CC(=O)Nc1cc(NCc2cc(F)cc(Cl)c2)ccc1F	160895614	ZDOZTAYWMXPLRU-UHFFFAOYSA-N	310.731	4.189	70	20	DIID	
Cc1ccc(NC(=O)c2cc3ccc(F)cc3s2)cc1O	161180375	RODKJCWCPKKJGY-UHFFFAOYSA-N	301.342	4.307	70	20	DIID	
C[C@H]1CC[C@@H](C)N1C(=O)CCc1cccc(OC2CCCC2)c1	161499601	HWTKVAMGDUMXLQ-IYBDPMFKSA-N	315.457	4.340	70	20	DIID	
CCc1noc(C)c1CSCc1noc(-c2cccs2)n1	159709344	UDTSJLWWWZOMKC-UHFFFAOYSA-N	321.427	4.090	70	20	DIID	
CC(=O)c1ccc(OCc2noc(C3CCCCC3)n2)cc1F	159795084	VYUKBJRBYYZGLU-UHFFFAOYSA-N	318.348	4.038	70	20	DIID	
FC(F)(F)c1ccc(NCc2c[nH]nc2-c2cccs2)cn1	160065596	VKFNYISVNIGCRE-UHFFFAOYSA-N	324.331	4.164	70	20	DIID	
CCc1cccc(CC)c1NC(=O)c1ccc(N(C)C)cc1F	160086277	PCZHXIXVQSPQIS-UHFFFAOYSA-N	314.404	4.269	70	20	DIID	
CC(C)c1ccc([C@H]2CCCCN2C(=O)[C@H]2CCCO2)cc1	160422462	WJWYQIXLFQOISO-QZTJIDSGSA-N	301.430	4.043	70	20	DIID	
Cc1ccc(NC(=O)C[C@@H](C)c2ccncc2)cc1OC(F)F	160610529	SQFBCXRIIQALHC-GFCCVEGCSA-N	320.339	4.124	70	20	DIID	
Cc1cccc(C)c1NC(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1	161065083	WNGDGQQIRMJYNI-ZWKOTPCHSA-N	324.424	4.345	70	20	DIID	
CCc1cnc(NC(=O)N2CC[C@@H](C)C[C@@H]2c2ccco2)s1	161280033	TWTYELXANWFIIW-DGCLKSJQSA-N	319.430	4.304	70	20	DIID	
CCOCc1ccc(NC(=O)N2C[C@H](C)[C@H]2c2ccccc2)cc1	161470900	LDRKKYQKCJPSCW-KXBFYZLASA-N	324.424	4.448	70	20	DIID	
O=C(c1ccc(-c2ccccc2)cc1)N1CCC[C@@H]1c1ncc[nH]1	216723629	VYFMZFJTQGZLHW-GOSISDBHSA-N	317.392	4.054	70	20	DIID	
O=C(Nc1nc2c(s1)CCCCC2)c1ccnc2ccccc12	217920902	KOUODODEMAKFQP-UHFFFAOYSA-N	323.421	4.213	70	20	DIID	
CC[C@@H](C(=O)Nc1ccc(OC)cc1C)c1ccc(F)cc1	159670118	ZPMUHZMUYULBPC-MRXNPFEDSA-N	301.361	4.275	70	20	DIID	
CCCCOc1ccccc1NC(=O)C[C@H](C)c1ccncc1	160183142	JNAILZBKYUPPJS-HNNXBMFYSA-N	312.413	4.393	70	20	DIID	
CCCNC(=O)c1cccc(CN[C@H](C)c2ccc(CC)cc2)c1	160568735	LQQMGVFVYONNGV-MRXNPFEDSA-N	324.468	4.240	70	20	DIID	
COc1ccc(Cl)cc1NC(=O)N1CC[C@@H]2CCCC[C@@H]21	160580113	RTQRTRHDEWTPGH-FZMZJTMJSA-N	308.809	4.145	70	20	DIID	
Cc1c(C(=O)N2CCC3(CCCCC3)CC2)cnn1CC(C)C	160674845	NMLJKUIUNRUVOI-UHFFFAOYSA-N	317.477	4.034	70	20	DIID	
FC(F)(F)c1ccc(Cn2nc(C3CC3)nc2C2CC2)cc1	161466798	ZSMUZNCJHLPJBW-UHFFFAOYSA-N	307.319	4.100	70	20	DIID	
CCc1ccc(C(=O)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)cc1	159484980	HOFYNBIVDWPTGR-PXNSSMCTSA-N	323.436	4.147	70	20	DIID	
C[C@H](NC1CC(C)(C)NC(C)(C)C1)c1cc(F)c(F)c(F)c1	159609933	SXKVPIBBZYRNPY-JTQLQIEISA-N	314.395	4.064	70	20	DIID	
COc1ccc(N(C)C(=O)c2cc3ccccc3s2)cc1F	159632805	FACDKYZSSKBNEN-UHFFFAOYSA-N	315.369	4.326	70	20	DIID	
O=C(NCC1(C2CC2)CC1)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1	159681456	VERLUUZXXZLVMR-GJZGRUSLSA-N	323.358	4.115	70	20	DIID	
FC(F)(F)c1cccnc1N[C@H]1CCO[C@H](c2ccccc2)C1	160590302	UOLJJHXPIVSNOF-ZFWWWQNUSA-N	322.330	4.433	70	20	DIID	
COc1ccccc1-c1noc([C@H](C)c2c(F)cccc2F)n1	160788992	NVDLJCANYIEQGH-SNVBAGLBSA-N	316.307	4.175	70	20	DIID	
c1ccc(-c2nc(-c3ccccc3)n(Cc3nccs3)n2)cc1	161409852	ARWFWALEHNRPFE-UHFFFAOYSA-N	318.405	4.117	70	20	DIID	
CCc1ccc(CNCc2ccccc2OC(F)(F)F)s1	218219907	NJMTYPNYRNKCSM-UHFFFAOYSA-N	315.360	4.499	70	20	DIID	
O=C(CCC(=O)c1ccccc1)OCc1cc2ccccc2o1	218570795	PRYOVCWBMMXBDO-UHFFFAOYSA-N	308.333	4.139	70	20	DIID	
Cc1cccc(Oc2ccccc2NC(=O)[C@@H]2CCCCO2)c1	159797729	ZTNGOUYADOUVNA-SFHVURJKSA-N	311.381	4.295	70	20	DIID	
C[C@H](Nc1ccccc1O[C@@H]1CCOC1)c1cc(F)ccc1F	159980792	SGNLKISKCKWXJB-GXTWGEPZSA-N	319.351	4.306	70	20	DIID	
CC[C@]1(C)C[C@H]1C(=O)N[C@@H](c1cccc(C)c1)c1ccccn1	159995646	LSEAVXXLCKVPCT-XKGZKEIXSA-N	308.425	4.032	70	20	DIID	
Cc1nc(CCCC(=O)N[C@@H]2CCCc3sccc32)cs1	160154969	LNIJIPHJJGZGPO-CQSZACIVSA-N	320.483	4.030	70	20	DIID	
COc1ccc(CN2CCC[C@H]2c2cccc(C)n2)cc1Cl	161394575	QNRKAYHMYUEGRD-KRWDZBQOSA-N	316.832	4.389	70	20	DIID	
C[C@H]1CC[C@@H](C)N1C(=O)c1cc(Br)ccc1Cl	161399257	WGNKQZBOPHBZAL-DTORHVGOSA-N	316.626	4.116	70	20	DIID	
CCCCC[C@H](C)NC(=O)CN[C@H](C)c1cc2ccccc2o1	216699225	CIDHCMQWOPTMOA-LSDHHAIUSA-N	316.445	4.168	70	20	DIID	
CCOC(=O)[C@@H](c1ccccc1)N(C)Cc1ccc(Cl)s1	217895691	WSYLARRFKUKMBP-OAHLLOKOSA-N	323.845	4.138	70	20	DIID	
CO[C@H](CNC(=O)c1ccc(C)c(C)c1)c1ccccc1Cl	218312530	DMGNMTHKHJJEEX-QGZVFWFLSA-N	317.816	4.074	70	20	DIID	
CC(C)CCn1cccc1CNc1cccc(-c2nnco2)c1	159638727	ZOXJJFKGDZZKIV-UHFFFAOYSA-N	310.401	4.196	70	20	DIID	
Cc1ccccc1Cc1nnc(CSCCc2ccccc2)o1	160172447	JYNDRESSVHJKOF-UHFFFAOYSA-N	324.449	4.445	70	20	DIID	
C[C@H](NC(=O)[C@H](C)Cc1ccc(Cl)cc1)c1cccc(O)c1	160258748	MZYRTYQTROBPJJ-OLZOCXBDSA-N	317.816	4.102	70	20	DIID	
Cc1ncc([C@H](C)N[C@@H](C)c2ccc3c(c2)CCCC3)c(C)n1	160294274	ALWJFAYBIUKNCQ-KBPBESRZSA-N	309.457	4.384	70	20	DIID	
CC(C)c1nn(-c2ccccc2)cc1CN[C@H](C)c1cccnc1	160749217	KEBYRNQIBOISDU-MRXNPFEDSA-N	320.440	4.242	70	20	DIID	
CCC(CC)n1nccc1C(=O)N(Cc1ccccc1)C1CC1	161109792	QBYFWLABQDXOKN-UHFFFAOYSA-N	311.429	4.049	70	20	DIID	
CC[C@H](OC1CCCC1)C(=O)OCc1cc2ccccc2o1	217172335	ZPNJNVLVIJEEPL-INIZCTEOSA-N	302.370	4.214	70	20	DIID	
C[C@@H]1CCC[C@H](C(=O)NCc2csc(-c3ccccc3)n2)C1	159444192	SOBKQYJWOYEIEE-HIFRSBDPSA-N	314.454	4.253	70	20	DIID	
CC(C)c1ccc([C@@H]2CCCCN2C(=O)C2CCOCC2)cc1	160345805	KLGHUFZBDFLRBD-IBGZPJMESA-N	315.457	4.290	70	20	DIID	
Fc1cccc([C@@H]2CN(Cc3cccc(Cl)c3)CCO2)c1	216700797	NAHDJPFEBQICLC-KRWDZBQOSA-N	305.780	4.053	70	20	DIID	
O=C(CCCC1CCCCC1)N[C@@H]1CCOC2(CCCC2)C1	159391737	XGFYIHQMGAFWSD-QGZVFWFLSA-N	307.478	4.345	70	20	DIID	
O=C(NCC1(C2CC2)CC1)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1	159795062	QSGKROXIAPQCIS-CABCVRRESA-N	323.358	4.115	70	20	DIID	
Cc1nc(C(C)(C)C)sc1[C@H](C)N[C@@H]1CCOC(C)(C)C1	159982188	DYKBURCUKBTQJB-WCQYABFASA-N	310.507	4.357	70	20	DIID	
CC(C)Oc1ccc(CN[C@H]2CCSc3ccccc32)cn1	160049419	HDCHVTGJYLPZAE-INIZCTEOSA-N	314.454	4.196	70	20	DIID	
CC(C)(C)c1nsc(N[C@@H]2CCO[C@H](c3ccccc3)C2)n1	160357483	UFPCKJDKNAOTBZ-KGLIPLIRSA-N	317.458	4.168	70	20	DIID	
CCCCc1ccc(NC(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)cc1	160975956	JKTANYCALIABGI-QZTJIDSGSA-N	316.445	4.108	70	20	DIID	
Cc1cc(O)ccc1NC(=O)[C@H](C)Cc1ccc(Cl)cc1	161080424	VJZLFPRHVLXDOH-GFCCVEGCSA-N	303.789	4.171	70	20	DIID	
COCCCCN(Cc1ccccc1)Cc1sc(C)nc1C	159624965	TWPJZFMZJIXLCS-UHFFFAOYSA-N	318.486	4.189	70	20	DIID	
CC[C@@H](NC(=O)c1occc1-c1ccccc1)c1c(C)noc1C	160439061	DTPNAQHZYRYGNX-MRXNPFEDSA-N	324.380	4.433	70	20	DIID	
FC(F)Oc1ccc(N[C@@H]2CCO[C@H](c3ccccc3)C2)nc1	160527722	IEOUOSDNBRIVTB-HIFRSBDPSA-N	320.339	4.015	70	20	DIID	
COc1ccccc1-c1noc([C@H]2C[C@@H]2c2sccc2C)n1	160855124	BVCZUTRUMGOXGJ-STQMWFEESA-N	312.394	4.386	70	20	DIID	
O=C(c1ccc(F)c(Cl)c1)N(CC1CCC1)CC(F)(F)F	161005203	NYPODDCZRQPTRN-UHFFFAOYSA-N	323.717	4.284	70	20	DIID	
Cc1ccc(SCc2nc(-c3ccc(F)c(C)c3)no2)nc1	161344790	CUMDNCLTTKQSCO-UHFFFAOYSA-N	315.373	4.180	70	20	DIID	
Cc1ccc2cc(C(=O)N3CCC[C@@H]3C3CCCC3)ccc2n1	159563280	QIIOUAUIVOMXNA-LJQANCHMSA-N	308.425	4.338	70	20	DIID	
CC(C)(C)c1cnc(CNC(=O)C[C@@H]2CCCCC2(C)C)o1	159844483	RJEPQBPXCBFZIB-ZDUSSCGKSA-N	306.450	4.195	70	20	DIID	
O=C(O[C@H](c1ccccn1)C(F)(F)F)C1CCCCCC1	159880542	QRBGGRJGPIBASJ-CYBMUJFWSA-N	301.308	4.199	70	20	DIID	
CC[C@@H](NC1CCN([C@@H](C)c2ccncc2)CC1)c1ccccc1	159883875	DVEYJTXQUVHFOM-LAUBAEHRSA-N	323.484	4.348	70	20	DIID	
Cc1ccccc1[C@H](C)NC1CCN([C@H](C)c2ccncc2)CC1	159887112	OSEIKTXQZPFOKH-ZWKOTPCHSA-N	323.484	4.266	70	20	DIID	
C[C@H]1C[C@H](N[C@H]2CCC[C@H](N(C)C)C2)c2ccsc2S1	161049627	YXDFZXFXMDVLAA-ABHRYQDASA-N	310.532	4.136	70	20	DIID	
Fc1cc(F)cc(CNc2cc3c(cc2Cl)OCCO3)c1	218128184	SBTHWJQNVHXVQS-UHFFFAOYSA-N	311.715	4.002	70	20	DIID	
O=C(Nc1nc(C2CC2)cs1)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2	160898710	MHJCEOSRVDZJGL-QQJLWGBUSA-N	320.433	4.268	70	20	DIID	
CC[C@H](N[C@H]1CCCSC1)c1ccccc1OC(F)F	159615831	QLHHKPOINMJGLJ-AAEUAGOBSA-N	301.402	4.224	70	20	DIID	
Cc1ccc(C)c(-n2ncc(C(=O)N(C)c3ccccc3)c2C)c1	160061847	ZGAYEEBPXFDQRH-UHFFFAOYSA-N	319.408	4.074	70	20	DIID	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1ccccc1OC(F)F	160359898	CEOIMCPNHASVIJ-GHMZBOCLSA-N	323.364	4.400	70	20	DIID	
CC(C)N(CC1CCN(C(=O)C(C)(C)C)CC1)C1CCCCC1	160492015	PPZALGOFGQHQPK-UHFFFAOYSA-N	322.537	4.314	70	20	DIID	
Cc1ccc(-c2n[nH]c(NC(=O)c3ccc(Cl)cc3)c2C)o1	161441081	LJEAXFPUUPFSAF-UHFFFAOYSA-N	315.760	4.192	70	20	DIID	
O=C(NCCCOc1ccccc1)Nc1ccc(F)c(Cl)c1	217299771	XQBKRWWJHSWDBC-UHFFFAOYSA-N	322.767	4.070	70	20	DIID	
Cc1[nH]c2ccccc2c1C(=O)N[C@H]1CCCc2sccc21	159929833	NFBGWDNERJNNRB-AWEZNQCLSA-N	310.422	4.345	70	20	DIID	
O=C(/C=C/c1ccc(Cl)nc1)N[C@@H]1CCCc2sccc21	160493010	KIRIQRGYMGLRIK-VUDGCMKMSA-N	318.829	4.004	70	20	DIID	
CC[C@H](NC(=O)c1cc2ccccc2nc1C)c1c(C)noc1C	160552589	KXIRQWGOGDJCJQ-INIZCTEOSA-N	323.396	4.029	70	20	DIID	
CCC(=O)c1cccc(NC(=O)c2cccc3c2ccn3C)c1	160805100	QHYCYASVBMCLFC-UHFFFAOYSA-N	306.365	4.023	70	20	DIID	
c1ccc(-c2nnc(N[C@H]3CCCc4sccc43)s2)nc1	161050146	GGWUQNOKWLTXCD-NSHDSACASA-N	314.439	4.151	70	20	DIID	
CC(C)(C)CC(C)(C)NC(=O)NCCc1ccccc1Cl	217367811	SBJRLFJCXWHIOE-UHFFFAOYSA-N	310.869	4.397	70	20	DIID	
C[C@H]1CSc2ccccc2N(C(=O)c2cc(Cl)ccn2)C1	159617020	JKJRRSHAKDDDMH-LLVKDONJSA-N	318.829	4.124	70	20	DIID	
C[C@@H]1CCCN(C(=O)Nc2ccc(COC3CCCC3)cc2)C1	160493180	UPHBQMXTRRPPRD-OAHLLOKOSA-N	316.445	4.410	70	20	DIID	
COc1ccc(CN2CCC(OC(C)(C)C)CC2)cc1Cl	161230107	ZVZMGPJNZLUNSD-UHFFFAOYSA-N	311.853	4.128	70	20	DIID	
CC(C)[C@H](F)C(=O)Oc1ccc(OCc2ccccc2)cc1	216825026	MZOUJHXDJMAHBY-KRWDZBQOSA-N	302.345	4.165	70	20	DIID	
Cc1noc(C)c1CCSCCOc1ccc(Cl)cc1	160066698	OSPRMOXXNJNMSD-UHFFFAOYSA-N	311.834	4.300	70	20	DIID	
O=C(N[C@@H]1CCCc2sccc21)C1(c2cccc(F)c2)CC1	160230284	WPRJERHWXUUUJC-OAHLLOKOSA-N	315.413	4.113	70	20	DIID	
CCC(=O)c1cccc(NC(=O)C[C@H](C)c2c(C)noc2C)c1	160892232	GDXJNITXMHFBGJ-NSHDSACASA-N	314.385	4.016	70	20	DIID	
Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H]2c2cccc(C)n2)cc1	161349692	ZLSQABBJFIUQGM-QFBILLFUSA-N	323.440	4.306	70	20	DIID	
Cc1cccc([C@@H](NC(=O)C[C@H](C)C(C)C)c2ccccn2)c1	159791489	MDPGRBFFNSRESE-OXJNMPFZSA-N	310.441	4.278	70	20	DIID	
CC[C@H](NC(=O)c1ccc2nc(C)ccc2c1)c1c(C)noc1C	159992839	JSUNUCSNEUXACB-INIZCTEOSA-N	323.396	4.029	70	20	DIID	
CCN1C(=O)c2ccccc2N[C@@H]1c1cc2cc(OC)ccc2o1	160240679	BUOYZBODRNUROI-SFHVURJKSA-N	322.364	4.028	70	20	DIID	
Cc1ncc([C@H](C)NCC2(Sc3ccccc3)CC2)c(C)n1	160483648	PWOYETSUIYSYDD-ZDUSSCGKSA-N	313.470	4.069	70	20	DIID	
COC(=O)Nc1cccc(NCc2ccc(Cl)cc2F)c1	160774433	CTZWJWRHCFOOEZ-UHFFFAOYSA-N	308.740	4.270	70	20	DIID	
CC(C)(C)CCCC(=O)N[C@H](C[C@@H]1CCOC1)c1ccccc1	159563626	NSLBGPFWNDBVDB-FUHWJXTLSA-N	317.473	4.487	70	20	DIID	
COc1cc(Cl)c(C(=O)Nc2cc(C)cc(F)c2)cc1OC	160884386	CQBUNRPQGBZTLO-UHFFFAOYSA-N	323.751	4.057	70	20	DIID	
CCOc1ccc([C@H](C)NCc2ccc(C)nc2)cc1OCC	161322179	CMSFWLYCIKTFEI-HNNXBMFYSA-N	314.429	4.038	70	20	DIID	
COCc1ccc([C@@H]2CCCN2C(=O)CCCC(C)(C)C)o1	161368157	DFMLOWIUHLOZJC-HNNXBMFYSA-N	307.434	4.306	70	20	DIID	
Cc1nc(-c2ccccc2NC(=O)NCc2ccccc2)cs1	218669206	BTFMMOKRSCWVST-UHFFFAOYSA-N	323.421	4.440	70	20	DIID	
CC(C)c1ccc(C(=O)N(C)Cc2cccc(Cl)c2)cn1	159876152	YYBBRNSUKAYURF-UHFFFAOYSA-N	302.805	4.131	70	20	DIID	
Cc1ccc(C(=O)CCN(C)[C@@H](C)c2sc(C)nc2C)cc1	159545183	KJDDWRCDWZXJSF-AWEZNQCLSA-N	316.470	4.334	70	20	DIID	
Cc1nc(COC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)c(C)s1	160410594	MBRHHNLPWGEBEY-QWRGUYRKSA-N	321.364	4.172	70	20	DIID	
Cc1csc(CCCCN[C@@H](C)c2cc(F)ccc2F)n1	160649276	JCQBZTWWHSQBGR-LBPRGKRZSA-N	310.413	4.403	70	20	DIID	
CCc1noc(C)c1C[S@@](=O)c1cc(C(C)(C)C)ccc1C	161037876	VEZPGYZHWDSQEX-QFIPXVFZSA-N	319.470	4.459	70	20	DIID	
CCOc1ccc(NC(=O)Nc2cccc(F)c2)cc1OCC	217310635	HXWDQYSQWHBSOG-UHFFFAOYSA-N	318.348	4.267	70	20	DIID	
CC[C@@H](CC1CCCC1)C(=O)N[C@H]1CCOC2(CCCC2)C1	159636341	UOHRHWBDKWQYAP-IRXDYDNUSA-N	307.478	4.201	70	20	DIID	
CCc1onc(C)c1NC(=O)Nc1cccc2ccc(C)nc12	159778834	RIAUIZKEAQNLFP-UHFFFAOYSA-N	310.357	4.046	70	20	DIID	
O=C(Nc1cccc(NCc2cc(Cl)ccc2F)c1)C1CC1	160070829	KKVSWNKSCCEMAX-UHFFFAOYSA-N	318.779	4.440	70	20	DIID	
FC(F)(F)c1ccc(N[C@H]2CCO[C@H](c3ccccc3)C2)nc1	160550881	REHWZYOFTNWOPV-GJZGRUSLSA-N	322.330	4.433	70	20	DIID	
Cc1ccc(CN[C@H](C)c2cccc(OC(F)(F)F)c2)cn1	161322989	MJVFUUMLIBWXBE-GFCCVEGCSA-N	310.319	4.139	70	20	DIID	
CCC(CC)n1nccc1C(=O)N1CCC[C@H]1c1ccccc1	161323835	XOHGKWVFWGFPOI-KRWDZBQOSA-N	311.429	4.222	70	20	DIID	
CCC[C@@H]1CCCN(C(=O)NCc2nc3ccccc3s2)C1	161404300	VBVGERYYHDMJOY-CYBMUJFWSA-N	317.458	4.018	70	20	DIID	
C[C@H]1COc2ccccc2N1C(=O)c1cc(F)c(Cl)cc1F	159604175	FXGQIEQOGZZNPF-VIFPVBQESA-N	323.726	4.046	70	20	DIID	
FC(F)(F)c1ccc(NCc2cccc3cccnc23)cn1	160065302	MXRKPXOANIMOHI-UHFFFAOYSA-N	303.287	4.261	70	20	DIID	
O=C(CC1CC1)Nc1ccc2nc(Cc3ccccc3)oc2c1	160507066	RAJOUSBUOPYIQX-UHFFFAOYSA-N	306.365	4.157	70	20	DIID	
Cc1ccc(NC(=O)NCCc2cccc(Cl)c2)c(C)c1	217456544	ZSOHHAGYIZFXNI-UHFFFAOYSA-N	302.805	4.321	70	20	DIID	
CO[C@@H](CNC(=O)c1cccc(Cl)c1)c1ccccc1Cl	218313363	IBWMCAYNKHRVGN-HNNXBMFYSA-N	324.207	4.111	70	20	DIID	
C[C@H]1CCN(C(=O)Nc2cccc(-c3nccs3)c2)C[C@@H]1C	159854452	GXZDNPVMJJIFIS-STQMWFEESA-N	315.442	4.320	70	20	DIID	
O=C(CCc1ccc(F)cc1F)N1CCC[C@H]1C1CCCC1	160253434	FSYITTZKPHOSPI-KRWDZBQOSA-N	307.384	4.079	70	20	DIID	
Cc1cccc([C@H]2CCCN2Cc2ccc(OC(F)F)cc2)n1	160419816	DMTJNOXGLZHGBT-QGZVFWFLSA-N	318.367	4.329	70	20	DIID	
CCC(CC)n1nccc1C(=O)Nc1ccc(Cl)cc1C	161155941	ZUNMXKGNNWBVFW-UHFFFAOYSA-N	305.809	4.458	70	20	DIID	
CCC(CC)c1nnc(NC(=O)c2ccc(C(C)C)nc2)s1	159751104	UTUVHUBRXFOLID-UHFFFAOYSA-N	318.446	4.212	70	20	DIID	
COc1ccc(N(C)C(=O)c2cccc3c2CCC3)cc1Cl	159961566	ATKZZIXFSCDQJN-UHFFFAOYSA-N	315.800	4.114	70	20	DIID	
CCc1nc(CN[C@H](C)c2ccccc2Oc2ccccc2)n[nH]1	160402651	JCQYJPRTABTQEI-CQSZACIVSA-N	322.412	4.010	70	20	DIID	
Cn1cccc1[C@@H]1CCCN1Cc1cccc(Br)c1	216722463	QCHLVVJRVSYTEN-INIZCTEOSA-N	319.246	4.125	70	20	DIID	
O=C(Nc1cccc(Br)c1)N1CCc2ccccc21	217275839	RFVFUTGPIPARAJ-UHFFFAOYSA-N	317.186	4.044	70	20	DIID	
Cc1cccc([C@H](NC(=O)C[C@H](C)C(C)C)c2ccccn2)c1	159791352	MDPGRBFFNSRESE-JXFKEZNVSA-N	310.441	4.278	70	20	DIID	
Cc1cccc([C@H](C)C(=O)N[C@@H]2CCOC3(CCCCC3)C2)c1	160830703	MTTAZDISRJEPIY-FUHWJXTLSA-N	315.457	4.097	70	20	DIID	
CC(C)Sc1ccccc1NC(=O)CC1(O)CCCCC1	160915880	APPUJIMVHDCWFX-UHFFFAOYSA-N	307.459	4.211	70	20	DIID	
COc1ccc(NC(=O)C[C@@H](c2ccccc2)C(C)C)cc1N	161016893	FETHRUYGCGSFKM-MRXNPFEDSA-N	312.413	4.046	70	20	DIID	
CC[C@H](NC(=O)C1(CC(C)C)CCCC1)c1c(C)noc1C	160374137	OHQIYYJPEUXWQR-HNNXBMFYSA-N	306.450	4.465	70	20	DIID	
O=C(Nc1ccccc1OC(F)F)N1CC[C@@H]2CCCC[C@@H]21	160608821	OQXYDMWWIXBPFN-AAEUAGOBSA-N	310.344	4.084	70	20	DIID	
CCCN(CCC)C(=O)c1cncc(-c2ccc(OC)cc2)c1	160885966	BFTFCQVLHVOECL-UHFFFAOYSA-N	312.413	4.019	70	20	DIID	
Fc1cccc([C@H]2CN(Cc3cccc(Cl)c3)CCO2)c1	216700836	NAHDJPFEBQICLC-QGZVFWFLSA-N	305.780	4.053	70	20	DIID	
O=C(COc1ccccc1-c1ccccc1)NCC1(C2CC2)CC1	159694518	UTYXLIPAQKROGQ-UHFFFAOYSA-N	321.420	4.039	70	20	DIID	
Cc1nc(COC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)c(C)s1	160410459	MBRHHNLPWGEBEY-MNOVXSKESA-N	321.364	4.172	70	20	DIID	
CC(C)c1cc(C(=O)N2CC(C)(C)Sc3ccccc32)no1	160706312	DEPKFAOYPADRJL-UHFFFAOYSA-N	316.426	4.329	70	20	DIID	
COc1cccc(CN(Cc2ccc(O)cc2)Cc2ccco2)c1	159768861	OUHHPGZDCAZLRL-UHFFFAOYSA-N	323.392	4.196	70	20	DIID	
Cc1ccc(OC[C@@H](C)NCc2cc(F)cc(Cl)c2)cc1	160909008	WCEGFYLBGNMVDS-CYBMUJFWSA-N	307.796	4.345	70	20	DIID	
CC(C)n1ncc(C(=O)NCC2CCC(C)(C)CC2)c1C1CC1	159441017	VDWABSAHRLPHOQ-UHFFFAOYSA-N	317.477	4.288	70	20	DIID	
CN(Cc1ccc(Cl)c(Cl)c1)Cc1nnsc1Cl	159745233	YIPNMJPULXBXOL-UHFFFAOYSA-N	322.648	4.130	70	20	DIID	
COc1ccc(N(C)C(=O)c2ccc(SC)cc2)cc1Cl	160219933	FSRUQLLGZZWCSZ-UHFFFAOYSA-N	321.829	4.347	70	20	DIID	
Cc1cc(C(=O)N[C@H]2CCOC3(CCCCC3)C2)ccc1Cl	160647962	ARXHNXXWNWYSEF-HNNXBMFYSA-N	321.848	4.260	70	20	DIID	
CC[C@H]1CCCC[C@@H]1NCC(=O)Nc1c(C)cc(C)cc1C	161407538	WWCRPQRQAYWGOX-IRXDYDNUSA-N	302.462	4.109	70	20	DIID	
Cc1cc(F)c(C(=O)N[C@@H]2CCSc3ccccc32)cc1F	159980727	GXNUDQZYQKWQCR-OAHLLOKOSA-N	319.376	4.240	70	20	DIID	
CC[C@H](NCc1ccc(N2CCCC2)nc1)c1ccc(F)cc1	160719992	YJZVGAGGUOKEAV-SFHVURJKSA-N	313.420	4.062	70	20	DIID	
Cc1ccc2c(c1)[C@H](NCc1ccc(CN(C)C)cc1)CCCO2	160874391	KEMIXPKTCVPSSP-HXUWFJFHSA-N	324.468	4.060	70	20	DIID	
CCC(CC)c1cc(C(=O)N(C)[C@H](C)c2cccs2)on1	160914209	RFSYCNSKPPRPDI-LLVKDONJSA-N	306.431	4.473	70	20	DIID	
C[C@@]1(c2ccccc2)CCCN(Cc2noc3c2CCCC3)C1	217181878	GARYHOGWHIXYSE-HXUWFJFHSA-N	310.441	4.107	70	20	DIID	
CCc1cc(C(=O)N[C@H]2CCOC3(CCCCC3)C2)sc1C	160468559	ZONAOSHDSLTFCP-HNNXBMFYSA-N	321.486	4.231	70	20	DIID	
COCc1ccc(CN(Cc2ccco2)Cc2cccs2)o1	160653079	RRICYHUCNCKZEJ-UHFFFAOYSA-N	317.410	4.283	70	20	DIID	
CCCCOc1cccc(CN[C@@H](C)c2cnn(C(C)C)c2)c1	160833006	HHZIUILIDRDQEU-INIZCTEOSA-N	315.461	4.494	70	20	DIID	
CCCCOc1cccc(CN[C@H](C)c2cnn(C(C)C)c2)c1	160833129	HHZIUILIDRDQEU-MRXNPFEDSA-N	315.461	4.494	70	20	DIID	
COc1cc(F)c(C(=O)Nc2ccc(C)c(Cl)c2)cc1OC	161152997	FGKJQWATJDPGDA-UHFFFAOYSA-N	323.751	4.057	70	20	DIID	
COc1ccc(OC(F)F)c(CN[C@H](C)c2ccccc2C)c1	159791410	ODYIUASNBVXZBA-CYBMUJFWSA-N	321.367	4.456	70	20	DIID	
C[C@H](CC(=O)N1CCCC2(CCCCC2)C1)c1ccncc1	160299228	PJNRLFKLUWEXQN-MRXNPFEDSA-N	300.446	4.148	70	20	DIID	
C[C@@H](CC(=O)N1CCc2c(F)cccc2C1)c1cccc(F)c1	161056097	GCINVDHBJNDIJK-ZDUSSCGKSA-N	315.363	4.043	70	20	DIID	
O=C(Nc1ccc(Cl)c(F)c1)N1CCc2cccc(F)c2C1	159481679	AIFMEUOZMFWNCY-UHFFFAOYSA-N	322.742	4.208	70	20	DIID	
Cc1ccsc1[C@H]1C[C@H]1C(=O)NCCc1cccc(Cl)c1	159699244	YNVSZYXIPULDDY-LSDHHAIUSA-N	319.857	4.172	70	20	DIID	
CCOc1cc(F)ccc1NC(=O)[C@@H](c1ccccc1)C1CC1	159944943	FWUBGFLUKZQLRA-SFHVURJKSA-N	313.372	4.357	70	20	DIID	
C[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1cccc(O)c1	160258624	MZYRTYQTROBPJJ-STQMWFEESA-N	317.816	4.102	70	20	DIID	
CC(C)c1ccc(C(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)cn1	160591675	NKTJPTVMTLEQGR-LBPRGKRZSA-N	318.367	4.316	70	20	DIID	
CCCNC(=O)c1cccc(CN[C@@H](C)c2ccc(C)cc2C)c1	160618274	GNQCAKRSRDYBFC-KRWDZBQOSA-N	324.468	4.294	70	20	DIID	
Cc1nc(C(C)C)sc1[C@H](C)N[C@@H]1CCC[C@H](N(C)C)C1	161028063	KNOYUVLQHJDDDB-CFVMTHIKSA-N	309.523	4.098	70	20	DIID	
Brc1ccc(CNCc2cccc3cc[nH]c23)cc1	218154980	RRHYXXWRJVDAOG-UHFFFAOYSA-N	315.214	4.220	70	20	DIID	
CC[C@H](NC(=O)Nc1ccnc(C)c1Cl)c1nc(C)cs1	159479580	HSJMPSBQVXEEIR-JTQLQIEISA-N	324.837	4.081	70	20	DIID	
Cc1cccc([C@H](NC(=O)c2cscc2C)c2ccccn2)c1	159735598	BMVMOTXJPKNUDO-SFHVURJKSA-N	322.433	4.279	70	20	DIID	
Cc1cc([C@@H](C)NCc2cn3c(C)cccc3n2)cc(C)c1F	160344549	YBQHGKSXKNAUFN-OAHLLOKOSA-N	311.404	4.249	70	20	DIID	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1ccc(-c2cc[nH]n2)cc1	160994159	OQYSOTKUNXTACJ-GJZGRUSLSA-N	323.421	4.189	70	20	DIID	
O=C(c1cscn1)N1CCCC[C@@H]1CCCc1ccccc1	161249428	RUGUCPNRMDGKSM-MRXNPFEDSA-N	314.454	4.161	70	20	DIID	
c1ccc(-c2cnn(Cc3noc(C4CCCCC4)n3)c2)cc1	159808973	JEGOIAKEUONDJP-UHFFFAOYSA-N	308.385	4.029	70	20	DIID	
CCCCn1ncc(NC(=O)N[C@@H](C)c2cc(C)oc2C)c1C	159816845	WLEVVNJEPPGSBY-LBPRGKRZSA-N	318.421	4.084	70	20	DIID	
Cc1cccc(C(=O)N[C@H]2CCSc3ccc(F)cc32)c1F	160102686	QBIIOALOCYSHHU-AWEZNQCLSA-N	319.376	4.240	70	20	DIID	
Cc1cccc([C@H](NC(=O)CC2=CCCCC2)c2ccccn2)c1	160107243	DVCMJICIRNHLGQ-NRFANRHFSA-N	320.436	4.486	70	20	DIID	
CCc1ccc([C@H](C)C(=O)N[C@H](CC)c2c(C)noc2C)cc1	160507065	GOJDZXBPJNKIAM-YVEFUNNKSA-N	314.429	4.225	70	20	DIID	
O=C(N[C@H]1CCOC2(CCCCC2)C1)c1ccc2ccccc2c1	160854336	UTIBAEBVJREZFM-IBGZPJMESA-N	323.436	4.452	70	20	DIID	
CC[C@H](C(=O)N(C)c1ccc(OC)c(F)c1)c1ccc(F)cc1	161040825	ZRONFUVJDHCUGJ-HNNXBMFYSA-N	319.351	4.130	70	20	DIID	
Brc1cccc(CNCc2cccc3cc[nH]c23)c1	218163445	OVTKGSPUUUHNGN-UHFFFAOYSA-N	315.214	4.220	70	20	DIID	
CC[C@@H](C)c1ccccc1OS(=O)(=O)Cc1ccc(F)cc1	218267548	CAKLJACUCUYEHB-CYBMUJFWSA-N	322.401	4.248	70	20	DIID	
Cc1[nH]c2ccccc2c1C(=O)N[C@@H]1CCCc2sccc21	159929715	NFBGWDNERJNNRB-CQSZACIVSA-N	310.422	4.345	70	20	DIID	
CC(C)(C)c1ccc(C(=O)N[C@H]2CCOC3(CCCC3)C2)s1	160161404	QUCGQTWMFGXHTC-ZDUSSCGKSA-N	321.486	4.267	70	20	DIID	
Clc1nc2ccccn2c1CN[C@H]1CCCc2sccc21	160971198	IVBFIVQYFCAIAL-LBPRGKRZSA-N	317.845	4.216	70	20	DIID	
COc1cc(F)c(C(=O)Nc2cc(Cl)ccc2C)cc1OC	161283677	NRJFPSMSSMAUBZ-UHFFFAOYSA-N	323.751	4.057	70	20	DIID	
Cc1ccc(-c2n[nH]c(NC(=O)C[C@@H]3CC[C@H](C)C3)c2C)o1	161411116	KLTIOFUQOYWWMS-GXFFZTMASA-N	301.390	4.051	70	20	DIID	
CCc1ccc(C(=O)N[C@H](C[C@@H]2CCOC2)c2ccccc2)cc1	159485101	HOFYNBIVDWPTGR-FXAWDEMLSA-N	323.436	4.147	70	20	DIID	
CCN(C(=O)NC(c1cccs1)c1cccs1)C(C)C	160532448	UTQQNVATDYIGIB-UHFFFAOYSA-N	308.472	4.339	70	20	DIID	
Cc1ccc(NC(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)cc1C	160936796	LKZDWAXAFMSZHZ-RTBURBONSA-N	324.424	4.345	70	20	DIID	
CC(=O)Nc1cccc([C@@H](C)NC[C@H]2CCc3ccccc32)c1	160955371	PFVNXPARGHDIHR-RDTXWAMCSA-N	308.425	4.026	70	20	DIID	
Cc1cccc(-n2cnc3c(-c4ccccc4)csc3c2=O)c1	218441758	QARMWSBEUDGMES-UHFFFAOYSA-N	318.401	4.423	70	20	DIID	
CCS[C@H]1CCC[C@@H](N[C@@H]2CCCc3nc(C)sc32)C1	159431377	FHZGJYPCYXGFGY-VNHYZAJKSA-N	310.532	4.483	70	20	DIID	
CC[C@@H](N[C@@H]1CCCSC1)c1ccccc1OC(F)F	159615731	QLHHKPOINMJGLJ-DGCLKSJQSA-N	301.402	4.224	70	20	DIID	
CCCCn1ncc(NC(=O)N2CCC[C@H](CCC)C2)c1C	160018722	UWDVSJNTOUKTLL-HNNXBMFYSA-N	306.454	4.036	70	20	DIID	
Cc1cccc([C@@H](C)N[C@@H](CN2CCCC2=O)c2ccccc2)c1	160777655	JRROUGQXKKVISR-XLIONFOSSA-N	322.452	4.009	70	20	DIID	
CC[C@@H]1CCCN(C(C)(C)CN[C@@H](C)c2cnn(C(C)C)c2)C1	161022647	ZLFOTSKCEUZUAF-DLBZAZTESA-N	320.525	4.015	70	20	DIID	
COc1ccccc1CNC(=O)Nc1c(C)cc(C)cc1Cl	217313928	HLJALPYWDRPMBN-UHFFFAOYSA-N	318.804	4.287	70	20	DIID	
Cc1nc(-c2cccnc2)sc1[C@H](C)N[C@@H]1CCCSC1	159600407	TWEHDXRMZUMEHQ-SMDDNHRTSA-N	319.499	4.060	70	20	DIID	
CC[C@@H](CC1CCCC1)C(=O)N[C@@H]1CCOC2(CCCC2)C1	159636079	UOHRHWBDKWQYAP-DLBZAZTESA-N	307.478	4.201	70	20	DIID	
COc1ccc(N(C)C(=O)[C@@H](C)c2ccsc2)cc1Cl	160084891	SGHVJCONYMOLFA-JTQLQIEISA-N	309.818	4.177	70	20	DIID	
Cc1csc(CCCCN[C@H](C)c2cc(F)ccc2F)n1	160649406	JCQBZTWWHSQBGR-GFCCVEGCSA-N	310.413	4.403	70	20	DIID	
C[C@H](c1ccc(F)c(F)c1)N1CCO[C@@H](c2cccc(F)c2)C1	216683433	DRILQBUMONRIOD-KZULUSFZSA-N	321.342	4.238	70	20	DIID	
Cc1cc(C)cc(CCC(=O)N2CCC[C@@H]2c2cccc(C)n2)c1	159489198	DNMMCFSCCMBRGV-HXUWFJFHSA-N	322.452	4.303	70	20	DIID	
CC[C@H](NC(=O)C[C@@H](C)c1ccccc1F)c1c(C)noc1C	160078444	DTDLRWHDHXWRJT-BZNIZROVSA-N	318.392	4.192	70	20	DIID	
CC[C@H](NC(=O)CC1CCC(C)(C)CC1)c1c(C)noc1C	160670043	NFTPUMKSYBGEMN-HNNXBMFYSA-N	306.450	4.465	70	20	DIID	
Cc1ccc(C(=O)OC(c2ccccc2)c2ccccc2)n1C	216817535	VNEGAXRVGDCETL-UHFFFAOYSA-N	305.377	4.280	70	20	DIID	
CC(C)c1ccc(N[C@@H](C)C(=O)NCc2ccccc2F)cc1	218732489	ZJJYVEAZHRPMIP-AWEZNQCLSA-N	314.404	4.066	70	20	DIID	
CC(C)c1csc(CNC(=O)[C@H]2CCCc3sccc32)n1	159370746	OCCIWHCRDLUNAU-LBPRGKRZSA-N	320.483	4.064	70	20	DIID	
CCS(=O)(=O)c1ccc([C@H](C)N[C@@H](C)C2CCCCC2)cc1	159651024	QZWPMRUPEBNQAB-GJZGRUSLSA-N	323.502	4.100	70	20	DIID	
Cc1ccc(-c2nnc(S[C@@H](C)C(F)(F)F)o2)cc1C	161074475	VEFPVXLFMDMEAW-VIFPVBQESA-N	302.321	4.396	70	20	DIID	
C[C@H]1CN(C(=O)Nc2cc(C(C)(C)C)on2)[C@H]1c1ccccc1	159391505	LFDHJMKKNVCWKL-BLLLJJGKSA-N	313.401	4.197	70	20	DIID	
CCS[C@H]1CCC[C@@H](NC2CCN(c3ccccc3)CC2)C1	159416576	NICLPYSWORGWCU-MJGOQNOKSA-N	318.530	4.309	70	20	DIID	
COc1ccc(N(C)C(=O)CCc2ccsc2)cc1Cl	160220967	OHMXIIHIMOUIGT-UHFFFAOYSA-N	309.818	4.006	70	20	DIID	
CC(C)c1cc(C(=O)N2c3ccccc3S[C@@H](C)[C@H]2C)no1	160262975	VLVGLFKXYSVDLN-NEPJUHHUSA-N	316.426	4.328	70	20	DIID	
Cc1ncc([C@@H](C)NCC2(Sc3ccccc3)CC2)c(C)n1	160483508	PWOYETSUIYSYDD-CYBMUJFWSA-N	313.470	4.069	70	20	DIID	
Cc1csc(CCCCN[C@@H](C)c2cc(F)cc(F)c2)n1	160682314	UMWRBCYZFVUPJA-LBPRGKRZSA-N	310.413	4.403	70	20	DIID	
CCN(C(=O)Nc1ccc(Br)c(Cl)c1)C(C)C	161306224	KFWIUOSGHIABNC-UHFFFAOYSA-N	319.630	4.365	70	20	DIID	
Cc1ccc2cccc(NC(=O)N(CC3CC3)CC3CC3)c2n1	159777483	HAJSYCDQJXOVPG-UHFFFAOYSA-N	309.413	4.197	70	20	DIID	
C[C@H](Sc1ccncc1)c1nc(Cc2ccc(F)cc2)no1	160039085	YHWQLGSYSMJNKH-NSHDSACASA-N	315.373	4.048	70	20	DIID	
COc1cc(C)ccc1NC(=O)c1ccc(F)c(SC)c1	160298478	RYZGRYQPISGNFB-UHFFFAOYSA-N	305.374	4.117	70	20	DIID	
FC(F)Oc1ccc(N[C@@H]2CCO[C@@H](c3ccccc3)C2)nc1	160527823	IEOUOSDNBRIVTB-UKRRQHHQSA-N	320.339	4.015	70	20	DIID	
COc1ccc(CN(C)C(=O)C2(Cc3ccccc3)CCC2)cc1	159394499	TUZKZCZRJAMRKT-UHFFFAOYSA-N	323.436	4.067	70	20	DIID	
CCCCn1ncc(NC(=O)N2CCC[C@@H](CCC)C2)c1C	160018860	UWDVSJNTOUKTLL-OAHLLOKOSA-N	306.454	4.036	70	20	DIID	
O=C(Nc1nc2ccccc2s1)N1CC[C@@H]2CCCC[C@@H]21	160032636	YEHBQZXGVATJKC-AAEUAGOBSA-N	301.415	4.093	70	20	DIID	
CC[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)c1c(C)noc1C	160337291	GURRSEWIWQQRJC-DZPQGLOJSA-N	316.445	4.075	70	20	DIID	
C[C@H]1C[C@@H](N[C@H]2CCC[C@H](N(C)C)C2)c2ccsc2S1	161049764	YXDFZXFXMDVLAA-PWNZVWSESA-N	310.532	4.136	70	20	DIID	
CC[C@H]1CCCCN1C(=O)Nc1cccc(Br)c1	217275744	IMPQIIMIQZGKSO-ZDUSSCGKSA-N	311.223	4.246	70	20	DIID	
CCc1noc(C)c1CSCc1csc([C@@H](C)OC)n1	159823974	XMYZADJWPLFUSL-SNVBAGLBSA-N	312.460	4.143	70	20	DIID	
CC[C@H](C)OCC(=O)Nc1ccccc1Oc1cccc(F)c1	160418484	VOUICIFYBSTOSC-ZDUSSCGKSA-N	317.360	4.372	70	20	DIID	
CCN(C(=O)[C@H](C)N(CC)Cc1cccs1)c1ccccc1	216681355	FQFNYQRKOVEQJS-HNNXBMFYSA-N	316.470	4.012	70	20	DIID	
Cc1ccccc1-n1ncc(-c2nc(-c3cccs3)no2)c1C	217083640	FBJMTWUBZAHPBS-UHFFFAOYSA-N	322.393	4.268	70	20	DIID	
CCOc1ccccc1NC(=O)Nc1cc(Cl)ccc1OC	217283229	LSCLXHVKINIBSQ-UHFFFAOYSA-N	320.776	4.391	70	20	DIID	
Cc1nc(C)c([C@H](C)N(C)C(=O)C2CCC(C)(C)CC2)s1	160108412	SLNBIOKDRWZRNG-LBPRGKRZSA-N	308.491	4.496	70	20	DIID	
CC(C)OCc1cccc(NC(=O)N2CC[C@H](C)[C@@H](C)C2)c1	160256421	QTBFVZVVMZMHCU-GJZGRUSLSA-N	304.434	4.121	70	20	DIID	
Cc1cccc2nc(CN[C@H](C)c3ccc(F)cc3Cl)cn12	160302852	PXSLBHGCBPSNQN-GFCCVEGCSA-N	317.795	4.286	70	20	DIID	
CC(C)(C)c1nnc(N[C@H]2CCO[C@H](c3ccccc3)C2)s1	160682093	ZPHQZBFAVYJFKT-KBPBESRZSA-N	317.458	4.168	70	20	DIID	
CCc1ccc(CNCc2cccc3c2OC(C)(C)C3)s1	217794340	BGPUQAPXVQRHLM-UHFFFAOYSA-N	301.455	4.314	70	20	DIID	
Cc1csc(-c2ccc(N[C@@H](C)CCn3cccn3)cc2)n1	159436633	FMUTWCHZMXNHAW-ZDUSSCGKSA-N	312.442	4.206	70	20	DIID	
COCCOc1ccc(F)cc1NC(=O)C1CCC(C)(C)CC1	159884077	PRNKHKYZCXGASC-UHFFFAOYSA-N	323.408	4.006	70	20	DIID	
CCCO[C@@H]1CCCN(C(=O)[C@H](CC)c2ccc(F)cc2)CC1	159889715	KUEODVVYEPHRLW-QZTJIDSGSA-N	321.436	4.127	70	20	DIID	
CCOc1ccc([C@H](C)NCc2ccc(OC(C)C)nc2)cc1	160103418	CJEAWRRJVZAOLR-HNNXBMFYSA-N	314.429	4.118	70	20	DIID	
CCCCCN(C(=O)N[C@@H]1CCO[C@H](C2CC2)C1)[C@@H](C)CCC	160284996	VUSPJEMSDDZTPN-JQHSSLGASA-N	324.509	4.334	70	20	DIID	
COc1ccc([C@@H](C)NCc2ccc(C)nc2)c2ccccc12	161277928	ODTYKHUYODLKPL-OAHLLOKOSA-N	306.409	4.403	70	20	DIID	
CCCc1ccc(N[C@@H](C)C(=O)N(C)Cc2ccccc2C)cc1	218724766	TUDRVIPTGOUZPU-KRWDZBQOSA-N	324.468	4.407	70	20	DIID	
CC[C@@H](CN[C@H](C)c1cnn(C(C)C)c1)Oc1ccccc1F	160333754	CXZZFAAJDOHEJU-ZBFHGGJFSA-N	319.424	4.111	70	20	DIID	
C[C@@H](CC(=O)Nc1ccc2nc(C3CC3)oc2c1)c1ccncc1	161314287	TZGRXXNDMCVLHG-LBPRGKRZSA-N	321.380	4.233	70	20	DIID	
Cc1ccc(-c2n[nH]c(NC(=O)CCc3ccccc3C)c2C)o1	161364266	LUIUNQSNLVEYNG-UHFFFAOYSA-N	323.396	4.166	70	20	DIID	
Cc1cc(C)cc(NC(=O)CN[C@H](C)c2cc3ccccc3o2)c1	216686932	SOIQBJHWUDWLGD-OAHLLOKOSA-N	322.408	4.339	70	20	DIID	
Cc1ccc(NC(=O)NC(c2ccccc2)c2ccccc2)nc1	217270071	GOSHTJOUGHLAFA-UHFFFAOYSA-N	317.392	4.301	70	20	DIID	
Cc1ccc(C)c(NC(=O)NCCc2ccc(Cl)cc2)c1	217308603	ZTFVAGSSAWIVSF-UHFFFAOYSA-N	302.805	4.321	70	20	DIID	
CC[C@@H](NC(=O)C[C@H](C)c1ccccc1C)c1c(C)noc1C	160203469	HINZRJDHMOZUHJ-SUMWQHHRSA-N	314.429	4.361	70	20	DIID	
CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)C[C@H](C)c1ccncc1	160874954	BCICWQFGRYJTAF-PXNSSMCTSA-N	324.468	4.363	70	20	DIID	
CCc1ccccc1NC(=O)NCCCOc1ccc(C)cc1	217297933	GJKRHOPYBGHXNC-UHFFFAOYSA-N	312.413	4.148	70	20	DIID	
Cc1cc(F)ccc1NC(=O)c1cc(Cl)c(N)c(Cl)c1	159615727	LBMVQKJBQRCGGH-UHFFFAOYSA-N	313.159	4.275	70	20	DIID	
CC(C)[C@H](Sc1ccncc1)C(=O)Nc1ccccc1Cl	160001636	VCOQSRKECLIKOQ-HNNXBMFYSA-N	320.845	4.490	70	20	DIID	
Cc1ccc(F)c(C(=O)N[C@H]2CCCc3sccc32)c1F	160011390	FGVOUFDMSUPIIX-LBPRGKRZSA-N	307.365	4.142	70	20	DIID	
C[C@@H](CC(=O)N1CCC[C@@H]1c1ccsc1)c1ccncc1	160049090	AULRUMNYBATCCX-XJKSGUPXSA-N	300.427	4.000	70	20	DIID	
CCCCn1ncc(NC(=O)N2CCC[C@H]2CC(C)C)c1C	160143143	QMQXFXYMFGVUFH-HNNXBMFYSA-N	306.454	4.034	70	20	DIID	
Cc1cccc(CNC(=O)c2ccccc2OC2CCCCC2)n1	161148112	TZRYQSOFGGVBGN-UHFFFAOYSA-N	324.424	4.032	70	20	DIID	
CCCCCc1ccc(NC(=O)[C@H]2CCC(=O)C[C@H]2C)cc1	159622073	MYZRPRMEKKOOMU-KDOFPFPSSA-N	301.430	4.363	70	20	DIID	
Cc1ccc(-c2cncc(C(=O)Nc3cccc(C)n3)c2)cc1	159879993	BDFMYQRCMJRLOD-UHFFFAOYSA-N	303.365	4.013	70	20	DIID	
C[C@H](C(=O)N(CC(F)(F)F)C1CCC1)c1c(F)cccc1F	160197441	NOVHIWHOIDOHIN-VIFPVBQESA-N	321.289	4.012	70	20	DIID	
Cc1cc(NC(=O)CCCCCO[C@H]2CCC[C@@H](C)C2)no1	160483693	SSAFQBIJYROAHG-HIFRSBDPSA-N	308.422	4.077	70	20	DIID	
CS[C@@H](C)CC(=O)Nc1ccccc1COc1ccccc1	160694571	CDOGGBABNPZPKN-AWEZNQCLSA-N	315.438	4.346	70	20	DIID	
CCOc1cc(NCc2cc(F)cc(Cl)c2)ccc1OC	160871308	NKGKVCNCZHYIRW-UHFFFAOYSA-N	309.768	4.499	70	20	DIID	
CC[C@H](NCc1ccc(C)nc1)c1ccccc1OC(F)F	161306896	IWTMEABCOOFRQN-HNNXBMFYSA-N	306.356	4.232	70	20	DIID	
Cc1ccc2nc(NC(=O)c3cccc(C)c3F)sc2c1	161394545	HDSLFWWVJHIXHM-UHFFFAOYSA-N	300.358	4.305	70	20	DIID	
COc1ccc2cc([C@H](C)N[C@H]3CCOC(C)(C)C3)ccc2c1	159967928	RCQONUSLQQHDRQ-KSSFIOAISA-N	313.441	4.457	70	20	DIID	
CCC(CC)c1cc(C(=O)N[C@H](CC)c2c(C)noc2C)on1	159983415	FYQHTXKAURUZJG-CYBMUJFWSA-N	319.405	4.064	70	20	DIID	
C[C@H](C(=O)N[C@H]1CCCc2sccc21)c1ccccc1F	160034421	FYJPQGGENHJLSB-NHYWBVRUSA-N	303.402	4.185	70	20	DIID	
CSc1ccc(C(=O)N[C@H]2CCOC3(CCCCC3)C2)cc1	160495252	MPPQGVADIOZCDV-HNNXBMFYSA-N	319.470	4.020	70	20	DIID	
CCOCCC1(C(=O)N[C@@H](C)c2cc3ccccc3o2)CCC1	160673995	CLPNJKUJRPRQSG-AWEZNQCLSA-N	315.413	4.207	70	20	DIID	
CC1CCC(O)(CN[C@@H]2C[C@H](C)Sc3sccc32)CC1	217003881	CEUZYQUHOVAMTM-QRFPHZIJSA-N	311.516	4.204	70	20	DIID	
CC[C@H](C)N(C)CCNCc1cc(-c2ccccc2)cs1	217393352	VPOJUHAMDCTSBK-HNNXBMFYSA-N	302.487	4.235	70	20	DIID	
Cc1ccc(N[C@@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)cc1	218730491	ZIZUSAOJBTUOTD-CABCVRRESA-N	322.408	4.419	70	20	DIID	
Cc1ccsc1C(=O)N1C[C@H](C)CSc2ccccc21	159527574	KSHUJSGOUSMCGO-NSHDSACASA-N	303.452	4.445	70	20	DIID	
CCC[C@@H](N[C@H](CCO)c1ccccc1)c1ccc(OC)cc1	160959559	PPWDZUHQNRUKHM-WOJBJXKFSA-N	313.441	4.250	70	20	DIID	
Cc1ncsc1CNc1ccc(NC(=O)OC(C)(C)C)cc1	159402802	USJQKONVXUZSPP-UHFFFAOYSA-N	319.430	4.411	70	20	DIID	
CCSc1cc(Cl)ccc1C(=O)Nc1cnn(C(C)C)c1	159683199	XZEGPRFDGYWUCG-UHFFFAOYSA-N	323.849	4.482	70	20	DIID	
CCC(=O)c1cccc(NC(=O)c2nccc3ccccc23)c1	160798060	UOZHHMUQBBEGOK-UHFFFAOYSA-N	304.349	4.080	70	20	DIID	
CC(C)N1CCC(N[C@@H]2C[C@H](C)Sc3sccc32)CC1	216992077	AUDWYJRCYVOLQU-SWLSCSKDSA-N	310.532	4.136	70	20	DIID	
C[C@H](C1CC1)N(Cc1ccccc1)Cc1noc2c1CCCC2	217024903	JYQNYSMQASGHKI-OAHLLOKOSA-N	310.441	4.354	70	20	DIID	
CC[C@@H](N[C@H](C)C(=O)N1CCCCCC1)c1ccc(Cl)cc1	218038213	VSAYXYKJQZNJGK-RHSMWYFYSA-N	322.880	4.172	70	20	DIID	
COc1ccc([C@H](C)NCc2coc3ccccc23)c(OC)c1	159803118	VPLVTNYQSLDCCW-ZDUSSCGKSA-N	311.381	4.301	70	20	DIID	
CCCC(=O)Nc1cccc(CN[C@@H]2c3ccccc3C[C@@H]2C)c1	159891887	HLINMNBJLOSXEI-BTYIYWSLSA-N	322.452	4.448	70	20	DIID	
C[C@@H](Nc1ccccc1O[C@H]1CCOC1)c1cccc(F)c1	159935021	CYCVAFCMZLYPIQ-CJNGLKHVSA-N	301.361	4.167	70	20	DIID	
C[C@H](CC(=O)N1CCC[C@H](C(C)(C)C)CC1)c1ccncc1	160633461	BVCNXUAXFWZUSW-WBVHZDCISA-N	302.462	4.250	70	20	DIID	
C[C@@H](CC(=O)Nc1ccccc1)N[C@H]1CCCc2sccc21	160991316	YULXLXZYESOYRM-BBRMVZONSA-N	314.454	4.132	70	20	DIID	
COc1ccc(CN2CCC[C@@H]2c2cccc(C)n2)cc1Cl	161394708	QNRKAYHMYUEGRD-QGZVFWFLSA-N	316.832	4.389	70	20	DIID	
Cc1cc(C(=O)Nc2cccc(OCCF)c2)c(C)n1C(C)C	160611576	VTLUVRZXOURBGI-UHFFFAOYSA-N	318.392	4.286	70	20	DIID	
CC(C)[C@@H](C(=O)N[C@H]1CCOC2(CCCC2)C1)c1ccccc1	159778710	MALHVIZOEVFABX-ZWKOTPCHSA-N	315.457	4.034	70	20	DIID	
CC[C@@H](C(=O)N[C@@H]1CCCc2occc21)c1ccc(F)cc1	159932995	BFLQGTAIFGJRNR-GDBMZVCRSA-N	301.361	4.106	70	20	DIID	
CC1(C)CCC(C(=O)N2CC=C(c3ccc(O)cc3)CC2)CC1	160110116	XBGPPMKTQLKYSJ-UHFFFAOYSA-N	313.441	4.224	70	20	DIID	
CC1CCN(C(=O)Nc2ccc(COC3CCCC3)cc2)CC1	160507211	UVSPAFORNULRHS-UHFFFAOYSA-N	316.445	4.410	70	20	DIID	
C[C@H]1C[C@H](CC(=O)NC(C)(C)c2nccs2)CC(C)(C)C1	217221636	KCZQLTOWCYROAY-QWHCGFSZSA-N	308.491	4.347	70	20	DIID	
C[C@@H]1CN(C(=O)Nc2cc(C(C)(C)C)on2)[C@@H]1c1ccccc1	159391114	LFDHJMKKNVCWKL-WBMJQRKESA-N	313.401	4.197	70	20	DIID	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCCSc1ccccc1	159775893	PEEKXJNRVFRQPX-CABCVRRESA-N	317.479	4.069	70	20	DIID	
CC(C)c1ccsc1C(=O)N[C@H]1CCOC2(CCCC2)C1	159898113	QIJGVSBZVHRTHH-ZDUSSCGKSA-N	307.459	4.093	70	20	DIID	
CCCCn1ncc(C(=O)N2CCC[C@@H]2c2cccs2)c1C	160013528	BDULINOZDMGVPE-OAHLLOKOSA-N	317.458	4.030	70	20	DIID	
Cc1ccccc1[C@@H](C)CC(=O)N[C@H]1CCOC2(CCCC2)C1	160014049	HSIZWJWCVVOCBM-IRXDYDNUSA-N	315.457	4.097	70	20	DIID	
Cc1cccc([C@H](NC(=O)CC2CCCC2)c2ccccn2)c1	160189629	WEGZAGYTBNPJSC-FQEVSTJZSA-N	308.425	4.176	70	20	DIID	
CC(C)c1cc(N[C@H]2CCO[C@H](C3CC3)C2)nc(C(C)C)n1	160269451	JERWPLLNOKIRLC-HOCLYGCPSA-N	303.450	4.093	70	20	DIID	
Cc1cc([C@H](C)NCc2cn3c(C)cccc3n2)cc(C)c1F	160344415	YBQHGKSXKNAUFN-HNNXBMFYSA-N	311.404	4.249	70	20	DIID	
O=C(Nc1ccc2nc(Cc3ccccc3)oc2c1)C1CCC1	160514204	LBKCLDHQUCTUJP-UHFFFAOYSA-N	306.365	4.157	70	20	DIID	
O=C(Cc1cccnc1)N1CCCC[C@@H]1CCCc1ccccc1	161153323	FAHGCCCHXSBOJZ-HXUWFJFHSA-N	322.452	4.028	70	20	DIID	
CCc1cnc(NC(=O)N2CC[C@H](C)C[C@H]2c2ccco2)s1	161280156	TWTYELXANWFIIW-AAEUAGOBSA-N	319.430	4.304	70	20	DIID	
CN(C(=O)CSc1cc(Cl)ccc1Cl)C1CCCC1	216843790	OMAPHRPQZYYQFA-UHFFFAOYSA-N	318.269	4.487	70	20	DIID	
Cc1ccsc1[C@H]1C[C@H]1C(=O)N(C)Cc1cccc(Cl)c1	159465941	DFKMGUHQAZHXGV-LSDHHAIUSA-N	319.857	4.472	70	20	DIID	
C[C@@H]1CSc2ccccc2N(C(=O)c2cccc(F)c2)C1	159572404	MLPBTGUNBFOEBH-LBPRGKRZSA-N	301.386	4.214	70	20	DIID	
CCS(=O)(=O)c1ccc([C@@H](C)N[C@H](C)C2CCCCC2)cc1	159651184	QZWPMRUPEBNQAB-HUUCEWRRSA-N	323.502	4.100	70	20	DIID	
C[C@@H](CC(=O)N[C@@H]1CCOC2(CCCC2)C1)C1CCCCC1	160118066	CMRKTEMWYZMHNJ-DOTOQJQBSA-N	307.478	4.201	70	20	DIID	
CSC[C@@H](C)NC(=O)Nc1ccc(COC2CCCC2)cc1	160509615	UIBNYKPMGGPALX-CYBMUJFWSA-N	322.474	4.019	70	20	DIID	
CC(C)[C@@H](N[C@@H](C)c1ccco1)c1ccc2c(c1)OCCO2	161035918	UYHKYLPRWTXGTI-SCLBCKFNSA-N	301.386	4.099	70	20	DIID	
O=C(Cc1cc(F)c(F)cc1F)Nc1cc(F)ccc1Cl	159945186	MKQAREPXUXKFBG-UHFFFAOYSA-N	317.669	4.078	70	20	DIID	
CC[C@H](NC(=O)C[C@H](C)c1ccccc1F)c1c(C)noc1C	160078724	DTDLRWHDHXWRJT-ZBEGNZNMSA-N	318.392	4.192	70	20	DIID	
CC[C@@H](NC(=O)c1cc2cc(F)ccc2o1)c1c(C)noc1C	160258970	SWVFQJPMWOTOIQ-CYBMUJFWSA-N	316.332	4.058	70	20	DIID	
CCOc1ccc(NC(=O)[C@H](C)c2c(F)cccc2F)cc1	160716331	NSTKYAPNOLVBPQ-LLVKDONJSA-N	305.324	4.106	70	20	DIID	
COc1ccc([C@H](C)N(C)C(=O)c2cc(F)c(C)cc2F)cc1	160872980	LKYHVZTVUYPGIF-LBPRGKRZSA-N	319.351	4.115	70	20	DIID	
CCC(CC)[C@@H](NC1CCC(NC(C)=O)CC1)c1ccccc1	161335741	AXERCNYNNPCOJD-SOAGJPPSSA-N	316.489	4.201	70	20	DIID	
Cc1cscc1NC(=O)Nc1ccccc1Br	159572078	NTXHQFWCWKBZBH-UHFFFAOYSA-N	311.204	4.463	70	20	DIID	
C[C@H]1CC[C@H](C)N1C(=O)CCc1cccc(OC2CCCC2)c1	161499662	HWTKVAMGDUMXLQ-HOTGVXAUSA-N	315.457	4.340	70	20	DIID	
Brc1cccc(Cc2nc(-c3cccs3)no2)c1	217083493	SSVHSNOZHODKHK-UHFFFAOYSA-N	321.199	4.151	70	20	DIID	
CCC(C)(CC)C(=O)Nc1nnc(/C=C/c2ccco2)s1	159515447	WTDPYNLPGNAJKI-CMDGGOBGSA-N	305.403	4.066	70	20	DIID	
CCOc1ccccc1[C@H](C)NCc1ccc(OC(C)C)nc1	160095034	YKFJUALRFRAVMX-HNNXBMFYSA-N	314.429	4.118	70	20	DIID	
CC(C)Sc1ccccc1NC(=O)C1CCN(C(C)C)CC1	160927013	OHERJWZRLRJTEK-UHFFFAOYSA-N	320.502	4.246	70	20	DIID	
CC[C@H]1CCCC[C@H]1N(C)C(=O)c1cnc(-c2ccccc2)nc1	161124597	JCWMWWJZTVFLFY-MAUKXSAKSA-N	323.440	4.184	70	20	DIID	
COCc1ccc([C@@H]2CCCN2C(=O)CC2CCCCCC2)o1	161375869	QASUELLEABVOGJ-KRWDZBQOSA-N	319.445	4.450	70	20	DIID	
CSc1ccc(Cl)c(C(=O)NCCc2ccc(C)cc2)c1	217222332	NHZGZQPPKCJYLK-UHFFFAOYSA-N	319.857	4.343	70	20	DIID	
Cc1cc([C@@H](C)NC(=O)NC[C@@]2(C)CCCS2)c(C)s1	160333781	IZIWYZTXPQKCOQ-IAQYHMDHSA-N	312.504	4.011	70	20	DIID	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1ccccc1OC(F)F	160359676	CEOIMCPNHASVIJ-MNOVXSKESA-N	323.364	4.400	70	20	DIID	
CC[C@@H](C)C(=O)Nc1c(C)cnn1[C@@H]1CCCc2ccccc21	161396932	HGIZSSCGPDNOMF-CXAGYDPISA-N	311.429	4.102	70	20	DIID	
C[C@@H](NC[C@H](O)Cc1ccccc1)c1ccc2ccccc2c1	218707069	VCUOHKUAEHESKU-IIBYNOLFSA-N	305.421	4.094	70	20	DIID	
CC[C@H](NC(=O)c1ccccc1C(C)(C)C)c1c(C)noc1C	159992597	TWYOBNFFQKIFKN-INIZCTEOSA-N	314.429	4.470	70	20	DIID	
CSCCc1ccc(NC(=O)N2CC[C@@H](C)[C@H](C)C2)cc1	161060296	AFXBPRMSAQVIIS-ZIAGYGMSSA-N	306.475	4.102	70	20	DIID	
Cc1n[nH]c(C)c1NC(=O)CCCCCO[C@H]1CCC[C@H](C)C1	161177426	SILAGDWYIDNZKM-BBRMVZONSA-N	321.465	4.121	70	20	DIID	
CC[C@@H](S[C@H](C)C(=O)NCC(F)(F)F)c1ccc(F)cc1	161351064	ZGAVJSNWIXDCOL-BXKDBHETSA-N	323.355	4.077	70	20	DIID	
CCc1c(C(=O)Nc2cccc(SC)c2)cnn1CC(C)C	159576573	HQSUGHVEEQIGKK-UHFFFAOYSA-N	317.458	4.076	70	20	DIID	
Cc1cccc([C@@H](NC(=O)c2cscc2C)c2ccccn2)c1	159735736	BMVMOTXJPKNUDO-GOSISDBHSA-N	322.433	4.279	70	20	DIID	
Cc1ccsc1[C@H]1C[C@H]1C(=O)NCCCOC1CCCCC1	159871668	CSJONDORJBGOKI-JKSUJKDBSA-N	321.486	4.016	70	20	DIID	
C[C@@H](CCC(=O)N[C@H]1CCc2c(O)cccc21)c1ccccc1	160043237	GDGHUADDXIPTRF-KSSFIOAISA-N	309.409	4.080	70	20	DIID	
Cc1nc2c(s1)[C@@H](NCCc1ccc(Cl)s1)CCC2	160380283	GXFBLVJCQVNEPF-NSHDSACASA-N	312.891	4.376	70	20	DIID	
COC(=O)c1cc(NCc2ccc(Cl)cc2F)ccc1F	160725198	WPKQXKHKBZATBF-UHFFFAOYSA-N	311.715	4.017	70	20	DIID	
O=C(c1ccc(F)cc1C(F)(F)F)N(CC1CC1)CC1CC1	160899459	CKLCYVYDGRGSSU-UHFFFAOYSA-N	315.310	4.107	70	20	DIID	
C[C@@H](CC(=O)Nc1ccccc1)N[C@@H]1CCCc2sccc21	160991059	YULXLXZYESOYRM-XJKSGUPXSA-N	314.454	4.132	70	20	DIID	
C[C@@H]1CC[C@@H](C)N1C(=O)CCc1cccc(OC2CCCC2)c1	161499759	HWTKVAMGDUMXLQ-HZPDHXFCSA-N	315.457	4.340	70	20	DIID	
C[C@@H]1C[C@@H](CC(=O)NC(C)(C)c2nccs2)CC(C)(C)C1	217221619	KCZQLTOWCYROAY-OLZOCXBDSA-N	308.491	4.347	70	20	DIID	
CCCc1ccc(N[C@H](C)C(=O)N(C)Cc2ccccc2C)cc1	218724833	TUDRVIPTGOUZPU-QGZVFWFLSA-N	324.468	4.407	70	20	DIID	
Clc1ccc2nccc(N[C@@H]3CCO[C@@H](C4CC4)C3)c2c1	160467937	RLKIRRAGBLRUAI-CXAGYDPISA-N	302.805	4.258	70	20	DIID	
COc1cc(F)c(C(=O)Nc2cccc(Cl)c2C)cc1OC	161170136	IJQXRUIITRQARU-UHFFFAOYSA-N	323.751	4.057	70	20	DIID	
O=C(Nc1ccccc1Oc1cc(F)cc(F)c1)C1CCC1	161470266	BNJAUIFCJASGPE-UHFFFAOYSA-N	303.308	4.496	70	20	DIID	
CCCCC[C@H](C)NC1CCC(NC(=O)OC(C)(C)C)CC1	218095533	DEJONNBUDYAJIW-FHERZECASA-N	312.498	4.381	70	20	DIID	
CCCCn1ncc(NC(=O)N2CCC[C@@H](CC)CC2)c1C	159793074	WQMFIGSTTCJMFI-OAHLLOKOSA-N	306.454	4.036	70	20	DIID	
COCCCCC(=O)N1CCCC[C@@H]1CCCc1ccccc1	161344059	AUCFAPNJMDBQOI-LJQANCHMSA-N	317.473	4.207	70	20	DIID	
CCO[C@H](C)C(=O)Nc1ccccc1Oc1cc(F)cc(F)c1	161434916	SAPCMQIIJSHQKP-LLVKDONJSA-N	321.323	4.121	70	20	DIID	
CO[C@@H]1CCCC[C@H]1N[C@@H](C)c1cccc(C(F)(F)F)c1	218196872	COZSZYCTZNZOJR-NILFDRSVSA-N	301.352	4.314	70	20	DIID	
CC[C@@H](Nc1cccc(NC(C)=O)c1)c1ccc(F)cc1F	160653029	GIEMSVKKBCQANL-QGZVFWFLSA-N	304.340	4.486	70	20	DIID	
CC[C@@H](NC(=O)c1cc(C)n(C(C)C)c1C)c1c(C)noc1C	160674738	IIJJFZPKWCTWBB-MRXNPFEDSA-N	317.433	4.172	70	20	DIID	
O=C1[C@H](Sc2nc3ccccc3o2)CCCN1c1ccccc1	217203175	GTTLJRCGFRSIOP-MRXNPFEDSA-N	324.405	4.116	70	20	DIID	
CC[C@@H](NC(=O)[C@H](CC)c1ccc(F)cc1)c1nc(C)cs1	159823393	RQDCBWNQHMXSEM-HUUCEWRRSA-N	320.433	4.352	70	20	DIID	
CCC[C@H](C)[C@@H]1CCCN1CC1CCN(C(=O)C(C)(C)C)CC1	160301507	NAAQZDLESMGOPE-WMZOPIPTSA-N	322.537	4.172	70	20	DIID	
CC(C)(C)c1nnc(N[C@@H]2CCO[C@@H](c3ccccc3)C2)s1	160682223	ZPHQZBFAVYJFKT-ZIAGYGMSSA-N	317.458	4.168	70	20	DIID	
CC[C@@H](C(=O)N[C@H]1CCOC2(CCCCC2)C1)c1ccccc1	160855692	CXWIWGLNPNEMER-ZWKOTPCHSA-N	315.457	4.178	70	20	DIID	
Cc1ccccc1NC(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1	160929567	PHPWUFKCIIRXLB-FUHWJXTLSA-N	310.397	4.037	70	20	DIID	
C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)C[C@@H]1CCCN1	161038541	QXXRZLVJFWSYBT-UZLBHIALSA-N	322.452	4.015	70	20	DIID	
Cc1ccccc1OCCCNC(=O)Nc1ccc(Cl)cc1	217300349	LSOHCDOXEXPAKY-UHFFFAOYSA-N	318.804	4.239	70	20	DIID	
CC[C@H](NC1CCN([C@@H](C)c2ccncc2)CC1)c1ccccc1	159883739	DVEYJTXQUVHFOM-UWJYYQICSA-N	323.484	4.348	70	20	DIID	
CCC[C@@H](NCc1cccc(C(=O)NCC)c1)c1ccccc1	160155657	SHMWDIZAQCCTQJ-LJQANCHMSA-N	310.441	4.067	70	20	DIID	
Cc1cccc([C@H]2CCCN2Cc2ncc(-c3ccccc3)o2)n1	160191224	RGQLONFHGDYVFR-GOSISDBHSA-N	319.408	4.382	70	20	DIID	
C[C@@H](NCc1ccc(N2CCCCCC2)nc1)c1cccs1	160530188	VNTDMIBLHCEUPN-OAHLLOKOSA-N	315.486	4.374	70	20	DIID	
C[C@H]1CC[C@@H](CC(=O)O[C@@H](c2ccccn2)C(F)(F)F)C1	160102963	KAPXPKWBEWQHBD-WDMOLILDSA-N	301.308	4.055	70	20	DIID	
CCN(C(=O)C[C@H](C)c1ccncc1)[C@@H](C)c1ccc(F)cc1	160115430	CNBQVUOGNKWITG-GJZGRUSLSA-N	314.404	4.324	70	20	DIID	
CCCCn1ncc(NC(=O)N2CCC[C@@H]2C2CCCC2)c1C	160133741	QIEANRFOIZPLTF-QGZVFWFLSA-N	318.465	4.178	70	20	DIID	
Cc1cc(CNC(=O)C23C[C@H]4C[C@@H](CC(F)(C4)C2)C3)ccc1F	160662359	SMPCBGDMAFKGFH-QAQJPARQSA-N	319.395	4.059	70	20	DIID	
Cc1c(NC(=O)N2CCC[C@H]2C2CCC2)cnn1CCC(C)C	161502602	VGDVUINCSQBTTG-KRWDZBQOSA-N	318.465	4.034	70	20	DIID	
C[C@H]1Cc2ccccc2N1C(=O)NCCc1ccc(Cl)cc1	217308611	QBPPACPZTJFBIN-ZDUSSCGKSA-N	314.816	4.043	70	20	DIID	
CCCCN(CCCC)C(=O)Nc1cc(OC)cc(OC)c1	217273936	BUBOCNKHBNHLRK-UHFFFAOYSA-N	308.422	4.138	70	20	DIID	
C[C@H](c1cccc(Cl)c1)N(C)CC[C@@H](O)c1ccccc1	217845969	GERPSQYHZULEDQ-RDTXWAMCSA-N	303.833	4.457	70	20	DIID	
CC[C@@H](CC(=O)Nc1c(F)cccc1F)c1ccc(OC)cc1	160077874	FYWFDQXIPFKWHN-LBPRGKRZSA-N	319.351	4.496	70	20	DIID	
CC(C)[C@@H](c1ccccc1)N(C)C(=O)C[C@H](C)c1ccncc1	160575447	CDUDMMPRQBEZIN-JXFKEZNVSA-N	310.441	4.431	70	20	DIID	
COc1ccc(NC(=O)Nc2c(F)cccc2Cl)c(OC)c1	217313184	WTNIGKXUDMFHKB-UHFFFAOYSA-N	324.739	4.140	70	20	DIID	
CC(C)[C@@H](CC1CCCC1)C(=O)N[C@H]1CCOC2(CCCC2)C1	159636922	WNTAYVGOMYAUPT-ZWKOTPCHSA-N	321.505	4.447	70	20	DIID	
CC[C@@H](NCc1ccc(C)nc1)c1ccccc1Br	161329659	UZMCPXGWESYEOL-MRXNPFEDSA-N	319.246	4.393	70	20	DIID	
C[C@H]1CC[C@@H](C)N1C(=O)CCc1ccc(Cl)cc1Cl	161452747	AEYRQYVHNINCQC-PHIMTYICSA-N	300.229	4.325	70	20	DIID	
COc1ccc(Cl)cc1CC(=O)N(C)C1CCCCCC1	217148544	GDBJNNHTTASYDA-UHFFFAOYSA-N	309.837	4.072	70	20	DIID	
Cc1ccc(CCNC(=O)N(C)[C@@H](C)c2ccc(C)cc2)cc1	217225393	NMSLRDGNKISLHC-KRWDZBQOSA-N	310.441	4.249	70	20	DIID	
CC(C)OCc1ccc(NC(=O)N2CC[C@H](C)[C@@H](C)C2)cc1	160198624	ASWAWJKSAHVXEU-GJZGRUSLSA-N	304.434	4.121	70	20	DIID	
Cc1c(F)ccc2sc(NC(=O)c3cc(C(C)C)on3)nc12	160805084	INJRUTNXCCOVAZ-UHFFFAOYSA-N	319.361	4.108	70	20	DIID	
Cc1ccc(CN(C)C)cc1NC(=O)C1CCC(C)(C)CC1	160987257	RZRDXLBLNVEGIF-UHFFFAOYSA-N	302.462	4.212	70	20	DIID	
COc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(C(C)C)cc2)cc1N	161025685	CXNCNUZKWYJOSE-SJORKVTESA-N	324.424	4.143	70	20	DIID	
Cc1ccc(CN[C@H](C)c2ccccc2OC(F)(F)F)cn1	161269158	ISKUYSKMEFZQTC-GFCCVEGCSA-N	310.319	4.139	70	20	DIID	
CS[C@H]1CCC[C@@H](NC(=O)CC(C)(C)c2ccccc2)C1	217228565	YOKWATWZIHNCBP-CVEARBPZSA-N	305.487	4.145	70	20	DIID	
Cc1cccc([C@@H](NC(=O)c2ccccc2F)c2ccccn2)c1	159804312	QRBPREHMNQEDBB-LJQANCHMSA-N	320.367	4.049	70	20	DIID	
CC(C)c1ccc(OCCN[C@@H](C)c2cncc(F)c2)cc1	160340877	RTNRMWGQYYSDQY-AWEZNQCLSA-N	302.393	4.074	70	20	DIID	
Cc1cc(F)cc2c1N(C(=O)C[C@@H](C)c1ccncc1)CCC2	160505798	ZHYPDBOSLYMYAQ-CYBMUJFWSA-N	312.388	4.002	70	20	DIID	
C[C@H](NC1CCN(C)CC1)c1ccccc1OCc1ccccc1	161447014	WGRAOSSZNPDTLU-KRWDZBQOSA-N	324.468	4.010	70	20	DIID	
CCc1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2)s1	216798920	OXOHIWHLZFKALO-UHFFFAOYSA-N	313.344	4.259	70	20	DIID	
Cc1ccc(OCCCNC(=O)Nc2ccc(C)c(C)c2)cc1	217297870	SRDLGZODSUHHHL-UHFFFAOYSA-N	312.413	4.202	70	20	DIID	
COc1ccc(N(C)C(=O)C23CC4CC(CC(C4)C2)C3)cc1F	159467856	KACBLLHHHIQLPE-UHFFFAOYSA-N	317.404	4.014	70	20	DIID	
CC[C@H](Nc1ccc(C(N)=O)c(Cl)c1)c1ccc(F)cc1F	160730189	YKKOWOIAMPUTDP-HNNXBMFYSA-N	324.758	4.280	70	20	DIID	
CC(C)(C)c1ccc(CSCCCCS(C)(=O)=O)cc1	160903979	SDYPOYRLRANMPL-UHFFFAOYSA-N	314.516	4.042	70	20	DIID	
C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)[C@H]1CC[C@H](N)C1	161036812	OPOGTZXLLKWZHQ-XPGWFJOJSA-N	322.452	4.000	70	20	DIID	
CCCCCOc1ccc([C@H](C)NC2CCN(C)CC2)cc1	161510222	DGZUSYRZJPIXQW-INIZCTEOSA-N	304.478	4.000	70	20	DIID	
C[C@H](NC(=O)NCC1CCCC1)c1ccc2c(c1)CCCC2	217566297	IMZMIAJNRPCRPN-AWEZNQCLSA-N	300.446	4.116	70	20	DIID	
FC(F)(F)Oc1ccc(CNc2ncccc2Cl)cc1	217643306	UZWDXFMQXUGNQV-UHFFFAOYSA-N	302.683	4.246	70	20	DIID	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)N(C)Cc1cccc(Cl)c1	159465681	DFKMGUHQAZHXGV-GJZGRUSLSA-N	319.857	4.472	70	20	DIID	
CC(=O)Nc1ccc(SCC(=O)CCC2CCCC2)cc1	159954114	FADXPBCGVWQCDL-UHFFFAOYSA-N	305.443	4.277	70	20	DIID	
CCn1nccc1CNc1cccc(OCCc2ccccc2)c1	160077675	XZLCQHSRPLVOMF-UHFFFAOYSA-N	321.424	4.137	70	20	DIID	
COC[C@H]1CCCN(C(=O)C[C@H](C)c2ccc(C(C)C)cc2)C1	160206899	XULDQKBUJKHHCJ-IRXDYDNUSA-N	317.473	4.189	70	20	DIID	
CC[C@@H](C)OCC(=O)Nc1ccccc1COc1ccccc1	160215588	UOCDTTRVQYSMPM-OAHLLOKOSA-N	313.397	4.019	70	20	DIID	
C[C@@H]1C[C@@H](NCC2(Sc3ccccc3)CCCC2)CCN1C	160348988	WJHPOANLGPQFDH-SJORKVTESA-N	318.530	4.164	70	20	DIID	
CCCCSCCC(=O)O[C@@H](c1ccccn1)C(F)(F)F	160439132	IWMNOQIOJMQAOY-ZDUSSCGKSA-N	321.364	4.152	70	20	DIID	
CC(C)C[C@H]1CCCCCN1C(=O)C[C@@H](C)c1ccncc1	160768316	XVOHJVFEJUBJLJ-SJLPKXTDSA-N	302.462	4.393	70	20	DIID	
C[C@H]1CCC[C@](CNCc2cc(Cl)ccc2F)(N(C)C)C1	160790690	GNZGYYKYOFLFTE-GUYCJALGSA-N	312.860	4.079	70	20	DIID	
CCSCc1cccc(NC(=O)Nc2c(C)noc2CC)c1	160989032	NSWPYVVZOAIPCQ-UHFFFAOYSA-N	319.430	4.443	70	20	DIID	
CCc1ccc(C(C)(C)NC(=O)C[C@@H](C)c2ccncc2)cc1	161331822	HFJKKSNQFRUPDY-OAHLLOKOSA-N	310.441	4.189	70	20	DIID	
Cc1ccc(-c2n[nH]c(NC(=O)c3cc(C)c(C)s3)c2C)o1	161408554	KMITZQUJYDYNNY-UHFFFAOYSA-N	315.398	4.217	70	20	DIID	
O=C(N[C@H]1CCCc2sccc21)[C@H]1CCCc2sccc21	159818552	BWJHFTLQKKBVBO-JSGCOSHPSA-N	317.479	4.423	70	20	DIID	
CC(C)c1csc(CNC(=O)CCCSC(C)(C)C)n1	159949492	BCVQIYMKFKUFBP-UHFFFAOYSA-N	314.520	4.195	70	20	DIID	
CCCCN(C)C(=O)Nc1ccc(COC2CCCC2)cc1	160562755	DRPZTTSDWOBIAN-UHFFFAOYSA-N	304.434	4.410	70	20	DIID	
Cc1ccsc1[C@H]1C[C@@H]1c1nc(COc2ccccc2)no1	160871823	OMDMEJTYQDVJEX-KBPBESRZSA-N	312.394	4.290	70	20	DIID	
c1ccc([C@@H]2CCCN(Cc3noc4c3CCCC4)CC2)cc1	217029018	CDIWUAMOHZMVLG-QGZVFWFLSA-N	310.441	4.323	70	20	DIID	
CCc1ccc(NC(=O)NCCCOc2ccc(C)cc2)cc1	217297863	LHFXNVHYZSPAOB-UHFFFAOYSA-N	312.413	4.148	70	20	DIID	
C[C@@H]1CN(C(=O)Nc2cc(C(C)(C)C)on2)[C@H]1c1ccccc1	159391385	LFDHJMKKNVCWKL-MLGOLLRUSA-N	313.401	4.197	70	20	DIID	
CC[C@H](NC(=O)Nc1ccccc1C(C)(C)C)[C@H]1CCCO1	159425662	ZREMZUSAWGGAAR-GOEBONIOSA-N	304.434	4.063	70	20	DIID	
Cc1ccccc1[C@H](C)Nc1ccc(C)c(N2CCOC2=O)c1	159747602	BUMANOBCULKOKY-HNNXBMFYSA-N	310.397	4.433	70	20	DIID	
CCN(C(=O)c1cncc(-c2ccccc2)c1)c1ccccc1	159857112	OLMFMQURLRJEQM-UHFFFAOYSA-N	302.377	4.415	70	20	DIID	
C[C@@H](NCCC1CCN(CC(F)(F)F)CC1)c1ccccc1	159971691	JRPPZKQOAAQRCD-CQSZACIVSA-N	314.395	4.002	70	20	DIID	
Cc1cccc([C@H](NC(=O)c2sccc2C)c2ccccn2)c1	160189083	IJXSUBYHSYQTOK-KRWDZBQOSA-N	322.433	4.279	70	20	DIID	
CC[C@@H](NC(=O)c1csc2ccccc12)c1c(C)noc1C	160392760	YFDVCUUTKTWNFL-CQSZACIVSA-N	314.410	4.387	70	20	DIID	
CCc1c(C(=O)Nc2ccc(SC)cc2)cnn1CC(C)C	160426185	JOHKPVMIICSUFM-UHFFFAOYSA-N	317.458	4.076	70	20	DIID	
CSc1cc(C(=O)Nc2ccncc2)c(Cl)cc1Cl	159603754	RGTSLLXYSSEAJW-UHFFFAOYSA-N	313.209	4.363	70	20	DIID	
C[C@H](NC1CCN(C2CCCC2)CC1)c1cc2ccccc2o1	159957865	BINIPBSCWAYSEA-HNNXBMFYSA-N	312.457	4.490	70	20	DIID	
Cc1occc1CN(C)C(=O)C[C@@H](C)c1ccc(F)cc1F	160776911	SLEHPRYRQDLALM-LLVKDONJSA-N	307.340	4.018	70	20	DIID	
CCS[C@@H]1CCC[C@@H](N[C@@H](C)c2cccc(NC(C)=O)c2)C1	159364525	BSLMTAWJZGCTRV-MORSLUCNSA-N	320.502	4.360	70	20	DIID	
Cc1cscc1NC(=O)Nc1cccc(Br)c1	159577438	NTPPWQIAFBFBTN-UHFFFAOYSA-N	311.204	4.463	70	20	DIID	
CC1(C)CCCC[C@@H]1CC(=O)N(Cc1ccncc1)C1CC1	160522589	CGUHDKWEYWVDBH-MRXNPFEDSA-N	300.446	4.179	70	20	DIID	
CC[C@H](Nc1ccc2c(c1)CCC(=O)N2C)c1ccc(F)cc1	160887631	QNDGBIDCRXXXSU-KRWDZBQOSA-N	312.388	4.298	70	20	DIID	
CC(C)Sc1ccccc1NC(=O)c1cccc2cn[nH]c12	160920300	LNHJBNIEWPQCHW-UHFFFAOYSA-N	311.410	4.316	70	20	DIID	
Cc1ccc(CN[C@H](C)[C@H](C)c2nc3ccccc3s2)cn1	161294301	QZFXXMKIJHHHIR-UONOGXRCSA-N	311.454	4.282	70	20	DIID	
Fc1cccc([C@@H]2CN(Cc3ccc(F)cc3Cl)CCO2)c1	216702952	BGWLXCWWXPOOHO-KRWDZBQOSA-N	323.770	4.192	70	20	DIID	
CCc1ccc(CSCC(=O)Nc2ccc(F)cc2F)cc1	217229525	ZFTPRQGOYXFMMJ-UHFFFAOYSA-N	321.392	4.399	70	20	DIID	
C[C@H](CC(=O)Nc1ncc(-c2ccccc2)s1)c1ccncc1	159726241	MEWQKNZPZNSODX-CYBMUJFWSA-N	323.421	4.337	70	20	DIID	
CC1CCN(c2ccc(CN[C@@H]3CCc4ccccc43)cn2)CC1	160476083	MAIUBNDJBMUEFD-HXUWFJFHSA-N	321.468	4.095	70	20	DIID	
Cc1cccc(OCCSCc2noc3c2CCCC3)c1	217032311	XBLZUBQYXVOKHT-UHFFFAOYSA-N	303.427	4.174	70	20	DIID	
CCN(C(=O)[C@H](C)N[C@H](c1ccccc1)C1CC1)c1ccccc1	218047186	MIICVXMTBPRMKV-OXJNMPFZSA-N	322.452	4.169	70	20	DIID	
CO[C@@H](CNC(=O)c1ccc(C)cc1C)c1ccccc1Cl	218312303	FYOKOFKGYRKWDB-KRWDZBQOSA-N	317.816	4.074	70	20	DIID	
CCNC(=O)c1cccc(CN[C@@H](C)c2cc3ccccc3o2)c1	160200799	WCEHCTUYRSFIHN-AWEZNQCLSA-N	322.408	4.033	70	20	DIID	
CCCNC(=O)c1cccc(CN[C@H](C)c2cccc(C)c2C)c1	160573742	FQTZIHVNVJOZKZ-QGZVFWFLSA-N	324.468	4.294	70	20	DIID	
Cc1ccccc1OCCSCc1noc2c1CCCC2	217032366	QZRMYKFZPLDWJH-UHFFFAOYSA-N	303.427	4.174	70	20	DIID	
O=C(CCc1ccc2[nH]ccc2c1)N[C@@H]1CCCc2sccc21	159822619	XKTVWFWFNNBFPY-QGZVFWFLSA-N	324.449	4.356	70	20	DIID	
CC(C)[C@H](c1ccccc1)N(C)C(=O)C[C@@H](C)c1ccncc1	160575333	CDUDMMPRQBEZIN-OXQOHEQNSA-N	310.441	4.431	70	20	DIID	
CCCCn1ncc(C(=O)N(C)[C@H](C)c2ccc(C)cc2)c1C	161117083	QJYVEQCMKKMQAN-OAHLLOKOSA-N	313.445	4.133	70	20	DIID	
C[C@@H](C(=O)Nc1cc(F)ccc1OC(F)F)c1ccsc1	159371661	GSXBECHZNMYDTD-MRVPVSSYSA-N	315.316	4.231	70	20	DIID	
CCO[C@@H](C)c1nccn1CCSc1ccc(C)c(C)c1	159464191	QOHHJMYPYUIWCL-HNNXBMFYSA-N	304.459	4.390	70	20	DIID	
CC1CCN(c2cccc(NC(=O)N3CCC[C@H](C)C3)c2)CC1	159686704	GGPAPNCZSXNFAN-INIZCTEOSA-N	315.461	4.187	70	20	DIID	
O=C1[C@@H](Sc2ccncc2)CCCN1c1ccccc1Cl	159913360	AIIWWVJOUXBSBA-HNNXBMFYSA-N	318.829	4.023	70	20	DIID	
CCc1ccc([C@@H](C)NCc2ccc(OC(C)C)nc2)s1	160104691	SXFFYMOQDRRYLB-CYBMUJFWSA-N	304.459	4.344	70	20	DIID	
CC(C)n1cccc1C(=O)Nc1cccc(-c2nccs2)c1	160122535	AWHBCPUDJLCXCA-UHFFFAOYSA-N	311.410	4.445	70	20	DIID	
CC1CCN(c2ccc(CN[C@H]3CCc4ccccc43)cn2)CC1	160476193	MAIUBNDJBMUEFD-FQEVSTJZSA-N	321.468	4.095	70	20	DIID	
CCOCCC1(CNC(=O)c2cc(C)n(C(C)C)c2C)CCC1	160664984	BGYNYBIQQHNEOU-UHFFFAOYSA-N	320.477	4.013	70	20	DIID	
CCC(=O)Nc1ccc(NCc2cc(F)cc(Cl)c2)cc1	160864541	JKOHFVHWQZAUOX-UHFFFAOYSA-N	306.768	4.440	70	20	DIID	
Cc1ccsc1CCCC(=O)N[C@@H]1CCCc2occc21	160921918	OFAAGVVKCAFZMK-CQSZACIVSA-N	303.427	4.166	70	20	DIID	
CC[C@H](C)c1ccccc1OS(=O)(=O)Cc1ccc(F)cc1	218267593	CAKLJACUCUYEHB-ZDUSSCGKSA-N	322.401	4.248	70	20	DIID	
C[C@H](CC1CCCCC1)C(=O)N[C@H]1CCOC2(CCCC2)C1	160135399	FYYDIIKZDNUIBA-WBVHZDCISA-N	307.478	4.201	70	20	DIID	
CC[C@@H](Nc1ccc(NC(C)=O)cc1)c1ccc(F)cc1F	160649818	WUSKSOGTFDYORC-QGZVFWFLSA-N	304.340	4.486	70	20	DIID	
Fc1cc(Cl)ccc1CNc1ccc(-n2cccn2)cc1	160708582	VDOXYOHRPHMIOK-UHFFFAOYSA-N	301.752	4.277	70	20	DIID	
CC[C@@H]1c2ccsc2CCN1C(=O)c1cccc(C)c1F	161455232	IZENIQXSOABTKN-CQSZACIVSA-N	303.402	4.345	70	20	DIID	
Cc1ccc(CCNC(=O)N(C)[C@@H](C)c2ccc(F)cc2)cc1	217225428	GMXQASSOFUNOPK-HNNXBMFYSA-N	314.404	4.079	70	20	DIID	
Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1ccc(-c2cc[nH]n2)cc1	160994417	OQYSOTKUNXTACJ-LSDHHAIUSA-N	323.421	4.189	70	20	DIID	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@@H](C)c1ccc(F)c(F)c1	159558357	ZCJAHPVDZTVYBW-CYZMBNFOSA-N	321.392	4.316	70	20	DIID	
CC[C@H](C)OCC(=O)N(C)C1c2ccccc2-c2ccccc21	160488977	BLYFEMKBNIYACP-AWEZNQCLSA-N	309.409	4.030	70	20	DIID	
CC[C@H](C)NC(=O)c1cccc(CN[C@H](C)c2ccc(C)cc2)c1	161139926	WCMRZNKNQZZBLL-DLBZAZTESA-N	324.468	4.374	70	20	DIID	
CCCC(O)(CCC)CC(=O)N1CCC[C@H]1c1ccsc1	159992078	SXGQYCGDWGOCAX-HNNXBMFYSA-N	309.475	4.133	70	20	DIID	
Fc1ccc(-c2csc(N[C@@H]3CCO[C@H](C4CC4)C3)n2)cc1	160388850	HNBFUDRSQVWEFG-ZBFHGGJFSA-N	318.417	4.319	70	20	DIID	
CCSc1cc(Cl)ccc1C(=O)N[C@H]1CCCSC1	160775082	MVCFUUUQRANPKS-NSHDSACASA-N	315.891	4.077	70	20	DIID	
COc1ccccc1-c1ccc([C@H](C)NC2CCN(C)CC2)cc1	161449709	XNZMPEPPZSYSOO-INIZCTEOSA-N	324.468	4.107	70	20	DIID	
Cc1cccc(C(=O)N[C@H](C)Cc2ccccc2Cl)c1F	161459833	GVEIJKZVNFGEFY-GFCCVEGCSA-N	305.780	4.149	70	20	DIID	
CS[C@@H]1CCC[C@@H](NC(=O)CC(C)(C)c2ccccc2)C1	217228562	YOKWATWZIHNCBP-HZPDHXFCSA-N	305.487	4.145	70	20	DIID	
OCC1(CNCc2ccc(-c3ccccc3)s2)CCCC1	160068846	JNCKJNORQGGROD-UHFFFAOYSA-N	301.455	4.057	70	20	DIID	
CC(C)(C)c1cnc([S@@](=O)Cc2ccc(F)c(F)c2)s1	160593583	JKLKCIYVCBXYPA-HXUWFJFHSA-N	315.410	4.027	70	20	DIID	
CCC(CC)(CNC(=O)C[C@H](C)c1ccncc1)c1ccccc1	160898593	JWYXSUFLZDAURE-KRWDZBQOSA-N	324.468	4.449	70	20	DIID	
CC[C@H](C)C(=O)Nc1c(C)cnn1[C@@H]1CCCc2ccccc21	161397049	HGIZSSCGPDNOMF-SUMWQHHRSA-N	311.429	4.102	70	20	DIID	
CCCCCOc1ccc([C@@H](C)NC2CCN(C)CC2)cc1	161510109	DGZUSYRZJPIXQW-MRXNPFEDSA-N	304.478	4.000	70	20	DIID	
Cc1ccc(CN(Cc2noc3c2CCCC3)C(C)C)s1	217027733	DIWGTRWUKDVRGW-UHFFFAOYSA-N	304.459	4.334	70	20	DIID	
COc1ccc(C)cc1NC(=O)NCCc1cccc(Cl)c1	217456640	RGPIVIGXJBCWTI-UHFFFAOYSA-N	318.804	4.021	70	20	DIID	
Cc1nccc(NC(=O)N2CCCc3ccccc3C2)c1Cl	159482451	JYNZAEZVHZMUDP-UHFFFAOYSA-N	315.804	4.024	70	20	DIID	
CCC[C@@H](C(=O)Nc1cc(-c2nnco2)ccc1C)C(C)C	159693393	CRKPLBAQHLZBBD-CQSZACIVSA-N	301.390	4.056	70	20	DIID	
C[C@H](c1ccco1)N(C(=O)CCc1ccc(F)cc1F)C1CC1	160669062	HOZMVKDHEMYEAH-GFCCVEGCSA-N	319.351	4.243	70	20	DIID	
CC[C@H](C)C(=O)Nc1ccc(-c2nc3ccccc3s2)cn1	218127041	YZAZVDJCSRDCKY-NSHDSACASA-N	311.410	4.343	70	20	DIID	
CN(Cc1cccc(F)c1)C(=O)c1cncc(-c2ccccc2)c1	159476583	JIFNZOYSHSOLKS-UHFFFAOYSA-N	320.367	4.160	70	20	DIID	
CC(C)c1ccccc1NC(=O)C[C@@H](C)N[C@H]1CCCSC1	159553027	CSKBZSYSUCYOTM-CABCVRRESA-N	320.502	4.012	70	20	DIID	
Cc1cc(C(=O)N2C[C@@H](C)CSc3ccccc32)c(C)o1	159701436	HHTPWCJVUNHWTR-LLVKDONJSA-N	301.411	4.285	70	20	DIID	
CN(CCc1ccccc1)C(=O)N[C@@H](c1ccccc1)C1CCC1	216873779	LCAHTQRJVGPATK-FQEVSTJZSA-N	322.452	4.412	70	20	DIID	
Cc1c(NC(=O)N(C)CCC2CC2)cccc1C(F)(F)F	160324912	IBCFBUBTSTXMPZ-UHFFFAOYSA-N	300.324	4.278	70	20	DIID	
CC[C@@H](NC(=O)c1ccc(C(C)C)cc1)c1c(C)noc1C	160482461	SJWWPFLYYCLTBB-MRXNPFEDSA-N	300.402	4.296	70	20	DIID	
CCCNC(=O)c1cccc(CN[C@H](CC)c2ccc(C)cc2)c1	160569278	OFSQDXFGWLLRBN-HXUWFJFHSA-N	324.468	4.376	70	20	DIID	
Cc1cccc([C@H](C)N[C@@H](CN2CCCC2=O)c2ccccc2)c1	160777766	JRROUGQXKKVISR-PXNSSMCTSA-N	322.452	4.009	70	20	DIID	
CC[C@@H](NCc1ccc(C)nc1)c1ccccc1OC(F)F	161307017	IWTMEABCOOFRQN-OAHLLOKOSA-N	306.356	4.232	70	20	DIID	
Cc1cccc(-c2cncc(C(=O)N(C)Cc3ccsc3)c2)c1	159606852	PIJFVZMPJQYTDX-UHFFFAOYSA-N	322.433	4.391	70	20	DIID	
CC[C@H](N[C@@H]1CCCSC1)c1ccc(OC(F)F)cc1	159628859	KXQLICXURWOMCL-OCCSQVGLSA-N	301.402	4.224	70	20	DIID	
C[C@@H](c1ccco1)N(C)Cc1ncc(-c2ccccc2F)o1	159758475	GFRQPOLWALUGAU-LBPRGKRZSA-N	300.333	4.267	70	20	DIID	
C[C@H](N[C@@H]1CCC[C@H]2OCC[C@H]12)c1cccc(Br)c1	159816369	RMQBILDBKLJDBD-AEAUEXCSSA-N	324.262	4.057	70	20	DIID	
Cc1nc(NC(=O)[C@H](C)c2cc3ccccc3o2)cc(C2CC2)n1	160092112	OITPVMVOGUWSTB-LLVKDONJSA-N	321.380	4.151	70	20	DIID	
O=C(NCC1(C2CC2)CC1)c1ccc(C2SCCS2)cc1	160203268	JZEGMONUPIPFJU-UHFFFAOYSA-N	319.495	4.085	70	20	DIID	
CCCCn1ncc(NC(=O)N(C)[C@H]2CCCC[C@H]2CC)c1C	160275958	VKVUBONXYWMZEQ-WBVHZDCISA-N	320.481	4.424	70	20	DIID	
CC(C)COCCN[C@@H](C)c1nc(-c2ccccc2)cs1	160715309	LPDMHASVXGOBBC-AWEZNQCLSA-N	304.459	4.133	70	20	DIID	
Cc1cc(C)cc(N(C)C(=O)c2cc(F)cc3cccnc23)c1	161476734	ZIQRQLUMFKFWAI-UHFFFAOYSA-N	308.356	4.267	70	20	DIID	
CC(C)[C@@H](F)C(=O)Oc1ccc(OCc2ccccc2)cc1	216825059	MZOUJHXDJMAHBY-QGZVFWFLSA-N	302.345	4.165	70	20	DIID	
C[C@@H]1CSc2ccccc2N(C(=O)c2cccc(Cl)n2)C1	159593562	WLHVHOCJRRUXSH-NSHDSACASA-N	318.829	4.124	70	20	DIID	
C[C@@H](NC1CC(C)(C)NC(C)(C)C1)c1cc(F)c(F)c(F)c1	159610078	SXKVPIBBZYRNPY-SNVBAGLBSA-N	314.395	4.064	70	20	DIID	
C[C@H](Nc1ccccc1O[C@H]1CCOC1)c1ccc(F)cc1F	159948248	YHXXMAPCYINDRN-JSGCOSHPSA-N	319.351	4.306	70	20	DIID	
CC[C@H](NC(=O)CCc1cccc(Cl)c1)c1c(C)noc1C	160008316	FEVVROMAOGVDDL-HNNXBMFYSA-N	320.820	4.145	70	20	DIID	
C[C@@H](C1CC1)N(C)C(=O)Nc1ccc(COC2CCCC2)cc1	160534464	WVPWNDJUTACLQO-AWEZNQCLSA-N	316.445	4.408	70	20	DIID	
CC(C)C[C@@H](N[C@H](CCCO)c1ccccc1)c1ccccn1	160691387	LQZPJEKLKJDGPZ-UYAOXDASSA-N	312.457	4.272	70	20	DIID	
CCOc1ccc([C@@H](C)N[C@H](CCCO)c2ccccc2)cc1	160894490	JZNCJXBXVJDXIA-OXQOHEQNSA-N	313.441	4.250	70	20	DIID	
CC[C@@H]1CCCC[C@H]1N(C)C(=O)c1nc(C(C)C)ncc1Cl	160987408	HVRMLIHFVVEZGJ-TZMCWYRMSA-N	323.868	4.294	70	20	DIID	
C[C@@H](NC[C@H](c1ccco1)N1CCCC1)c1ccccc1Cl	216632023	IHTKZQDTYLINED-RHSMWYFYSA-N	318.848	4.421	70	20	DIID	
Fc1cc(Cl)cc(CNc2ccc(-n3cccn3)cc2)c1	160849400	PNEXZAFRRMGFLV-UHFFFAOYSA-N	301.752	4.277	70	20	DIID	
CCOc1ccc(NC(=O)C[C@H](C)SC)c(C(F)(F)F)c1	161187005	XHNPROISLJYWGN-VIFPVBQESA-N	321.364	4.184	70	20	DIID	
COc1cc(F)c(C(=O)Nc2cccc(C(C)C)c2)cc1OC	161440329	HUJHMBKRTIKACZ-UHFFFAOYSA-N	317.360	4.219	70	20	DIID	
CCOc1cc(C(=O)NCCC2=CCCCC2)cc(Cl)c1O	216687598	UCLHSCHGSWOLIG-UHFFFAOYSA-N	323.820	4.065	70	20	DIID	
CCc1nc(C)c([C@@H](C)NCc2ccc(OC(C)C)nc2)s1	160038166	DPZVRDMTLSFNCG-GFCCVEGCSA-N	319.474	4.047	70	20	DIID	
CC(=O)Nc1ccc(Cl)c(C(=O)N(C(C)C)C2CCCC2)c1	160316043	FPYAWAPNFQIMAW-UHFFFAOYSA-N	322.836	4.092	70	20	DIID	
C[C@H]1[C@@H](C)Sc2ccccc2N1Cc1nccn1C(F)F	161216737	RSXQTULLVIJOPV-WDEREUQCSA-N	309.385	4.168	70	20	DIID	
O=C(NCCc1ccc(Cl)cc1)NCc1ccc(Cl)cc1	217308502	CFYQINTVZNCROX-UHFFFAOYSA-N	323.223	4.035	70	20	DIID	
Cc1cccc(NC(=O)c2ccc(Br)c(O)c2)c1C	160711554	FVYJSUWTLDPODE-UHFFFAOYSA-N	320.186	4.024	70	20	DIID	
CCOCc1ccccc1CNCc1ccc(Cl)cc1F	160769154	ZNUFXCSREBCOJO-UHFFFAOYSA-N	307.796	4.305	70	20	DIID	
CCc1ccc(C(=O)Nc2cc(C)nn2-c2ccc(F)cc2)cc1	217340829	IRFCDZUBNMKVDC-UHFFFAOYSA-N	323.371	4.135	70	20	DIID	
O=C(CCCn1cccc1)N1CCC[C@@H](c2ccccc2)CC1	159368856	BVGMHJMQQFSYAJ-LJQANCHMSA-N	310.441	4.065	70	20	DIID	
C[C@@H](c1ccccc1Cl)N(C)C(=O)C[C@@H](C)c1ccncc1	159520577	HMCMCTSZSNKCHR-KGLIPLIRSA-N	316.832	4.448	70	20	DIID	
Clc1ccc(-c2nnc(CSc3ccncc3)o2)cc1	159910726	MKIQLEZTQALFJN-UHFFFAOYSA-N	303.774	4.077	70	20	DIID	
CC(C)Oc1ccc([C@H](C)NC(=O)N2CCC3(CCC3)C2)cc1	160161870	IFEJTSWWMCILGN-HNNXBMFYSA-N	316.445	4.120	70	20	DIID	
CCOc1ccccc1[C@H](C)N[C@@H](CCCO)c1ccccc1	160867254	PVEFWHFGBZGASP-LPHOPBHVSA-N	313.441	4.250	70	20	DIID	
CC[C@@H](N[C@H](CCCO)c1ccccc1)c1ccccc1OC	160873815	HRAOCSVYAKZBEL-RTBURBONSA-N	313.441	4.250	70	20	DIID	
c1sc([C@H]2CCCO2)nc1-c1nc(C2CCCCC2)no1	161450671	JHMXMVLLICKCNS-GFCCVEGCSA-N	305.403	4.092	70	20	DIID	
CCc1ncc(C(=O)OCc2oc3ccccc3c2C)s1	217202167	DEKQGJXXKIGBPK-UHFFFAOYSA-N	301.367	4.117	70	20	DIID	
CCN(Cc1cccs1)C(=O)c1sccc1-n1cccc1	218509429	JQVJEENXKVNTKO-UHFFFAOYSA-N	316.451	4.263	70	20	DIID	
Cc1ccc(N[C@@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)cc1	218730349	ZIZUSAOJBTUOTD-GJZGRUSLSA-N	322.408	4.419	70	20	DIID	
CCc1c(C(=O)Nc2ccc(Cl)cc2C)cnn1CC(C)C	160606626	BYKUMBNSZZQKTP-UHFFFAOYSA-N	319.836	4.316	70	20	DIID	
COc1ccc(NC(=O)C[C@H](c2ccccc2)C(C)C)cc1N	161017010	FETHRUYGCGSFKM-INIZCTEOSA-N	312.413	4.046	70	20	DIID	
Cc1ccc(-c2n[nH]c(NC(=O)C[C@H]3CC[C@@H](C)C3)c2C)o1	161411508	KLTIOFUQOYWWMS-MFKMUULPSA-N	301.390	4.051	70	20	DIID	
O=C(N[C@H]1CCCc2sccc21)c1c(F)cccc1Cl	159801455	MMJYUDXKBBLJHU-LBPRGKRZSA-N	309.793	4.348	70	20	DIID	
CCC[C@H](C(=O)N[C@@H]1CCOC2(CCCC2)C1)c1ccccc1	160202195	ZTLIROJFXKIPFN-MSOLQXFVSA-N	315.457	4.178	70	20	DIID	
CSCc1ccc(NC(=O)C[C@H](C)c2ccncc2)cc1	160383116	CWVSSJFQZYRTNB-ZDUSSCGKSA-N	300.427	4.077	70	20	DIID	
Cc1ccc(NC(=O)N(C)Cc2ccc(C(F)(F)F)cc2)cn1	161404817	AXVLUDFWVNIDPA-UHFFFAOYSA-N	323.318	4.073	70	20	DIID	
C[C@H](NCC1(Sc2ccccc2)CCCC1)[C@@H]1CCOC1	160350977	LARFTHACSUTMIA-JKSUJKDBSA-N	305.487	4.106	70	20	DIID	
CC[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(Br)o1	161145752	MYMIHRHWZPNLIK-QWRGUYRKSA-N	314.223	4.083	70	20	DIID	
COc1cccc2c1CC[C@H]2NC(=O)c1sccc1C(C)C	160077766	JVNACOLCUVBTNF-OAHLLOKOSA-N	315.438	4.297	70	20	DIID	
Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)o1	160168873	OSRSDDJEZYRLSS-TUAOUCFPSA-N	303.324	4.134	70	20	DIID	
Cc1cc(N[C@@H]2CCO[C@H](C3CC3)C2)c2cccc(F)c2n1	160421874	VBWWYLGBNBPUFW-DYVFJYSZSA-N	300.377	4.052	70	20	DIID	
CCOc1ccccc1[C@H](C)N[C@H](CCCO)c1ccccc1	160867518	PVEFWHFGBZGASP-QFBILLFUSA-N	313.441	4.250	70	20	DIID	
Fc1cc(Cl)cc(CNc2cccc(-n3cccn3)c2)c1	160879558	IWDYUKXSJZWADP-UHFFFAOYSA-N	301.752	4.277	70	20	DIID	
C[C@H](C(=O)N(C)Cc1cccc(Cl)c1)c1c(F)cccc1F	161058331	SFMJSCCHDWPDCI-NSHDSACASA-N	323.770	4.380	70	20	DIID	
CC[C@@H](CC(=O)Nc1ccc2c(c1)CC(=O)N2)c1ccc(C)cc1	160318190	NKUXIGIPGXNYHG-AWEZNQCLSA-N	322.408	4.012	70	20	DIID	
COCc1ccc([C@H]2CCCN2C(=O)CCCC(C)(C)C)o1	161368020	DFMLOWIUHLOZJC-OAHLLOKOSA-N	307.434	4.306	70	20	DIID	
Cc1ccccc1CCNC(=O)Nc1c(F)cccc1Cl	217313358	BHPLIBZUFLVUMU-UHFFFAOYSA-N	306.768	4.152	70	20	DIID	
Cc1ccccc1[C@H](C)N[C@H](CN1CCCC1=O)c1ccccc1	160742576	CBZNYQDDMCQUQD-FXAWDEMLSA-N	322.452	4.009	70	20	DIID	
c1ccc([C@@H](NC2CCOCC2)c2cc3ccccc3o2)cc1	159731093	ZCGYMCXOCWEQPG-HXUWFJFHSA-N	307.393	4.291	70	20	DIID	
CC[C@H](NC(=O)CCSc1ccccc1)c1c(C)noc1C	159945252	YSANBNIBCDIQTL-HNNXBMFYSA-N	318.442	4.041	70	20	DIID	
CC[C@H](C(=O)N[C@H](CC)c1c(C)noc1C)c1ccccc1	160011781	GRDDYYLKXRHKSQ-JKSUJKDBSA-N	300.402	4.053	70	20	DIID	
COCc1nc(C)cc(S[C@H]2CCCc3ccccc32)n1	160443633	PIAYUKQQMBEZKV-HNNXBMFYSA-N	300.427	4.101	70	20	DIID	
CC[C@@H](Nc1ccc2c(c1)CCC(=O)N2C)c1ccc(F)cc1	160887750	QNDGBIDCRXXXSU-QGZVFWFLSA-N	312.388	4.298	70	20	DIID	
Cc1ccc(OC(F)F)c([C@@H](C)N[C@H]2CCCSC2)c1	159551470	OHNSSWUEZNVAQW-NEPJUHHUSA-N	301.402	4.143	70	20	DIID	
C[C@H]1CSc2ccccc2N(C(=O)c2cccc(F)c2)C1	159572294	MLPBTGUNBFOEBH-GFCCVEGCSA-N	301.386	4.214	70	20	DIID	
OCC1(CN[C@H]2CCSc3ccc(Cl)cc32)CCCC1	160075211	ZGSGHYUTEWCSPT-AWEZNQCLSA-N	311.878	4.019	70	20	DIID	
CCCCn1ncc(NC(=O)N2CCCCC[C@H]2CC)c1C	160254367	UULGBZWKCSOPJC-OAHLLOKOSA-N	306.454	4.178	70	20	DIID	
CC(C)CCn1ccc(NC(=O)N(C)[C@@H](C)c2cccs2)n1	159633497	HUQGKQMWLFYFTG-ZDUSSCGKSA-N	320.462	4.216	70	20	DIID	
Cc1cccc([C@@H]2CCCN2Cc2csc(C(C)(C)C)n2)n1	159751661	FSAYQELRTNEHIC-INIZCTEOSA-N	315.486	4.481	70	20	DIID	
CC(C)N(C(=O)c1ccc(F)cc1C(F)(F)F)C1CCC1	160597354	NKJHCEOYAYGKOP-UHFFFAOYSA-N	303.299	4.248	70	20	DIID	
Cc1ccccc1[C@H](C)N[C@@H](CN1CCCC1=O)c1ccccc1	160742314	CBZNYQDDMCQUQD-PXNSSMCTSA-N	322.452	4.009	70	20	DIID	
Cc1noc(C)c1[C@@H](C)CC(=O)NCC1CCC(C(C)C)CC1	160881352	NUZRNNAQBNCPER-IGEOTXOUSA-N	320.477	4.364	70	20	DIID	
CCOc1cc(NC(=O)Nc2cccc(CC)c2)ccc1OC	217184289	PFYZAVXZVSKLOV-UHFFFAOYSA-N	314.385	4.300	70	20	DIID	
Cc1cccc([C@@H](NC(=O)c2cc(C)c(C)o2)c2ccccn2)c1	159965862	LWBVMKWPZZDMRI-LJQANCHMSA-N	320.392	4.119	70	20	DIID	
CCCNC(=O)c1cccc(CN[C@@H](C)c2cc(C)cc(C)c2)c1	160561106	ARRDZKMFFGPGHX-KRWDZBQOSA-N	324.468	4.294	70	20	DIID	
Cc1ncccc1CN1CCC[C@H]1c1nc2ccccc2s1	160717887	NTCBVAWYCVMSPT-INIZCTEOSA-N	309.438	4.337	70	20	DIID	
C[C@H]1[C@H](c2ccccc2)C[C@@H](C)N1C(=O)C[C@@H](C)c1ccncc1	160820581	MXLHYQUZKRYNFP-PDOICOKGSA-N	322.452	4.368	70	20	DIID	
Cc1cccc(OC(F)F)c1NC(=O)N1CC[C@@H](C)[C@H](C)C1	161172047	RXHSMURRMPCLDR-ZYHUDNBSSA-N	312.360	4.106	70	20	DIID	
C[C@@H](NCc1csc(-c2ccccc2)n1)c1cncs1	161483127	XZQYRSASIQNEMF-LLVKDONJSA-N	301.440	4.117	70	20	DIID	
C[C@@H](CC(=O)N(C)[C@@H](C)c1ccccc1Cl)c1ccncc1	159520455	HMCMCTSZSNKCHR-KBPBESRZSA-N	316.832	4.448	70	20	DIID	
CC[C@@H](N[C@H]1CCCSC1)c1ccccc1OC(F)F	159615950	QLHHKPOINMJGLJ-WCQYABFASA-N	301.402	4.224	70	20	DIID	
C[C@@H]1CSc2ccccc2N(C(=O)c2ccc(Cl)nc2)C1	159683028	VNNVORYLEBUTDN-NSHDSACASA-N	318.829	4.124	70	20	DIID	
CCC(CC)(CC)NC(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1	160890655	WYPLMACHRVGOIJ-DLBZAZTESA-N	318.461	4.175	70	20	DIID	
CC[C@H](NC(=O)c1occc1-c1ccccc1)c1c(C)noc1C	160438938	DTPNAQHZYRYGNX-INIZCTEOSA-N	324.380	4.433	70	20	DIID	
CC[C@@H](CN[C@@H](C)c1cnn(CC)c1)Oc1ccccc1Cl	160444920	KCPSJDDXLKOZAX-ZFWWWQNUSA-N	321.852	4.065	70	20	DIID	
CC[C@@H](NCC1(c2ccc(Cl)cc2)CCOCC1)C1CC1	160903526	AJNYMRRWQOFRAD-QGZVFWFLSA-N	307.865	4.166	70	20	DIID	
CC[C@@H]1CCCC[C@@H]1N(C)C(=O)c1csc(-c2ccoc2)n1	161308597	DQSBVIBLEPRYEG-DOMZBBRYSA-N	318.442	4.444	70	20	DIID	
COc1ccc(-c2csc(NC(=O)C3=CCCC3)n2)cc1F	159677267	XLGKDOYHPDKAQU-UHFFFAOYSA-N	318.373	4.007	70	20	DIID	
c1ccc(CSCCCSc2nncn2C2CC2)cc1	159752515	QSLMFCZLVJQBLR-UHFFFAOYSA-N	305.472	4.029	70	20	DIID	
C[C@@H](c1ncc(C(C)(C)C)o1)N(C)Cc1cccc(N(C)C)c1	159853825	WPEFJXLRRSMELD-AWEZNQCLSA-N	315.461	4.231	70	20	DIID	
CCc1ccc([C@@H](C)NCc2c(C)nn(-c3ccccc3)c2C)o1	159874118	ZNEMPSQEUBGXGH-OAHLLOKOSA-N	323.440	4.495	70	20	DIID	
C[C@H](C(=O)N[C@H]1CCCc2sccc21)c1c(F)cccc1F	159950434	FCZVXERVIJCDES-HZMBPMFUSA-N	321.392	4.324	70	20	DIID	
O=C(N[C@H]1CCOC2(CCCC2)C1)c1csc2ccccc12	159950974	QFKHMLSKCCJJLI-ZDUSSCGKSA-N	315.438	4.123	70	20	DIID	
C[C@@H]1CCC[C@@H](C(=O)N(Cc2ccco2)Cc2ccco2)C1	160025266	ARQOIYDAFJRCKV-HUUCEWRRSA-N	301.386	4.228	70	20	DIID	
CCc1n[nH]c(-c2ccccc2NC(=O)C[C@H](CC)C(C)C)n1	161233955	JLBGLIXVXKJHQZ-ZDUSSCGKSA-N	314.433	4.045	70	20	DIID	
CCCCOC(=O)CCN(C)[C@H](C)c1nc2ccccc2s1	218256404	VCJMMKNGFGHELX-CYBMUJFWSA-N	320.458	4.023	70	20	DIID	
Cc1cscc1C(=O)N1C[C@H](C)CSc2ccccc21	159664688	GNGFTKHDZWIHCM-NSHDSACASA-N	303.452	4.445	70	20	DIID	
COc1ccccc1-c1noc([C@@H]2C[C@@H]2c2sccc2C)n1	160855347	BVCZUTRUMGOXGJ-QWHCGFSZSA-N	312.394	4.386	70	20	DIID	
CC(C)c1ccc(C(=O)N(C)[C@@H](C)c2cc(F)ccc2F)cn1	161164272	YPRVWLNJTNJRLM-LBPRGKRZSA-N	318.367	4.316	70	20	DIID	
C[C@H](NCc1csc(-c2ccccc2)n1)c1cncc(F)c1	161490643	MCRWGOOYXUAKNI-LBPRGKRZSA-N	313.401	4.195	70	20	DIID	
CC(C)(C)CC(C)(C)NC(=O)Nc1ccc(F)c(F)c1F	217309175	VYTPNYRZQAFGGE-UHFFFAOYSA-N	302.340	4.440	70	20	DIID	
Cc1ccccc1CCNC(=O)Nc1ccc(C(F)(F)F)cc1	217312997	HTIVTPUIXWWWRV-UHFFFAOYSA-N	322.330	4.378	70	20	DIID	
O=C(CSc1ccc(F)cc1)N[C@@H]1CCCc2sccc21	159984487	CGXLLGQNZXPQTJ-CQSZACIVSA-N	321.442	4.173	70	20	DIID	
CCC(=O)Nc1cccc(C(=O)N(C)[C@H]2CCCC[C@H]2CC)c1	161290513	SLJJEDMNEKAXHU-PBHICJAKSA-N	316.445	4.076	70	20	DIID	
COc1cc(C)ccc1NC(=O)C[C@@H](C)c1ccc(F)cc1F	159768419	CMVGZQFAGPXEOS-GFCCVEGCSA-N	319.351	4.414	70	20	DIID	
O=C(Cc1cc2c(ccc3ccccc32)o1)Nc1ccc(O)cc1	160375057	GYGRAWQYBWPBBF-UHFFFAOYSA-N	317.344	4.473	70	20	DIID	
CCC[C@H](C)[C@@H]1CCCN1C(=O)C[C@@H](C)c1c(C)noc1C	160498975	QEEVREFFVCKKPS-ZENOOKHLSA-N	306.450	4.212	70	20	DIID	
CCOc1ccc(NC(=O)c2cccc(C)c2F)cc1Cl	161466012	XUDDFJQSOAMPJL-UHFFFAOYSA-N	307.752	4.439	70	20	DIID	
Cc1nccc(NC(=O)N2CCc3ccccc3[C@H]2C)c1Cl	159728017	WRDKISVMSLXNMJ-GFCCVEGCSA-N	315.804	4.195	70	20	DIID	
CC[C@]1(C)C[C@@H]1C(=O)N(C)[C@@H](C)c1nc2ccccc2s1	160119043	KJHKVKFUMCXEAS-XWCIJXRUSA-N	302.443	4.252	70	20	DIID	
Cc1nc(CCCC(=O)N[C@H]2CCCc3sccc32)cs1	160155113	LNIJIPHJJGZGPO-AWEZNQCLSA-N	320.483	4.030	70	20	DIID	
Cc1csc(CCCCN[C@@H]2CCCOc3ccccc32)n1	160687108	YYSFBXOGRWRQJK-MRXNPFEDSA-N	316.470	4.278	70	20	DIID	
CCC(CC)n1nccc1C(=O)Nc1ccccc1OC(F)F	161068770	UGYSPPQCMLDHBY-UHFFFAOYSA-N	323.343	4.098	70	20	DIID	
CCc1cnc(NC(=O)N2CCCC[C@@H]2c2ccc(C)o2)s1	161279403	KXZOXEPIVPKECS-CYBMUJFWSA-N	319.430	4.366	70	20	DIID	
CCCCn1ncc(C(=O)Nc2ccc(C)cc2Cl)c1C	159381257	VHCFOZPTLLPSQY-UHFFFAOYSA-N	305.809	4.206	70	20	DIID	
CC[C@@H](NC(=O)Nc1c(C)cccc1C(C)C)[C@H]1CCCO1	159421708	NPPDGZHBMSBEAU-HZPDHXFCSA-N	304.434	4.198	70	20	DIID	
CC[C@@H](NC(=O)C/C=C/c1ccccc1F)c1c(C)noc1C	159985805	RPLCWQOLSOKXCV-MNDMWVCDSA-N	316.376	4.101	70	20	DIID	
CCOc1ccc([C@H]2CCCN2C(=O)c2[nH]c(C)cc2C)cc1	160013869	IOTYVCMIEUEQDC-QGZVFWFLSA-N	312.413	4.008	70	20	DIID	
Cc1cccc(C(=O)N[C@@H](c2cccc(C)c2)c2ccccn2)c1	160030931	JOBAIZNXBXZJJR-FQEVSTJZSA-N	316.404	4.218	70	20	DIID	
COC[C@@H]1CCCN(C(=O)C[C@@H](C)c2ccc(C(C)C)cc2)C1	160207210	XULDQKBUJKHHCJ-IAGOWNOFSA-N	317.473	4.189	70	20	DIID	
CC1CCN(c2ccc(CN[C@H](C)c3cccs3)cn2)CC1	160482564	ITDCVQSGLFCJOH-OAHLLOKOSA-N	315.486	4.230	70	20	DIID	
NC1(CC(=O)Nc2cccc(CSC3CCCC3)c2)CCC1	160729637	KCBIHJQBZKRXMR-UHFFFAOYSA-N	318.486	4.072	70	20	DIID	
CC[C@@H](NC(=O)C[C@H](C)c1ccncc1)C(C)(C)c1ccccc1	160787202	XDVDALOTDDGVHG-QFBILLFUSA-N	324.468	4.448	70	20	DIID	
COc1ccc2cc([C@@H](C)N[C@@H]3CCOC(C)(C)C3)ccc2c1	159967795	RCQONUSLQQHDRQ-RDTXWAMCSA-N	313.441	4.457	70	20	DIID	
CC[C@H](NC(=O)c1csc2ccccc12)c1c(C)noc1C	160392661	YFDVCUUTKTWNFL-AWEZNQCLSA-N	314.410	4.387	70	20	DIID	
CCN(C(=O)c1ccc(O)nc1C)[C@@H](C)c1cc2ccccc2o1	160410233	VQSVEWHAINRAEX-ZDUSSCGKSA-N	324.380	4.065	70	20	DIID	
COc1cc(Cl)c(CN[C@H]2CCOC(C)(C)C2)cc1Cl	160505037	QKIDRDVWQFHZAK-NSHDSACASA-N	318.244	4.049	70	20	DIID	
Cc1c(CSC(C)C)cccc1NC(=O)c1ccc(N)cc1	160782509	KQNYQQKLEHUQMH-UHFFFAOYSA-N	314.454	4.471	70	20	DIID	
C[C@@H]1CN(C(=O)Nc2c(F)cc(F)cc2F)[C@@H]1c1ccccc1	161319177	NCWNTRKAJPTRMB-HWPZZCPQSA-N	320.314	4.329	70	20	DIID	
CCc1ccc([C@H](C)NC(=O)[C@@H](C)Sc2ccncc2)cc1	159961211	PJWXZOGXVXPVRC-UONOGXRCSA-N	314.454	4.002	70	20	DIID	
CC[C@H](NC(=O)[C@H](CC)c1ccccc1)c1c(C)noc1C	160011664	GRDDYYLKXRHKSQ-CVEARBPZSA-N	300.402	4.053	70	20	DIID	
Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1ccccc1OC(F)F	160360022	CEOIMCPNHASVIJ-WDEREUQCSA-N	323.364	4.400	70	20	DIID	
C[C@H](NC(=O)Nc1cc(C(C)(C)C)on1)c1cccc(F)c1F	161082404	PRVUMWQWNVFRFY-VIFPVBQESA-N	323.343	4.133	70	20	DIID	
Cc1occc1-c1nnc(SCC(=O)CCC2CCCC2)o1	159949357	HRMHLLVFHJIBNW-UHFFFAOYSA-N	320.414	4.270	70	20	DIID	
CCCc1ccccc1NC(=O)c1ccc(C(=O)NC(C)C)cc1	160066457	YVHNHAVCVXKWKK-UHFFFAOYSA-N	324.424	4.030	70	20	DIID	
CC(C)c1cc(C(=O)N2c3ccccc3S[C@@H](C)[C@@H]2C)no1	160263117	VLVGLFKXYSVDLN-RYUDHWBXSA-N	316.426	4.328	70	20	DIID	
Cc1ccc(-c2ncc(CN[C@H]3CCOC(C)(C)C3)s2)cc1	160499491	ZKIFMSIQGCFYQK-HNNXBMFYSA-N	316.470	4.166	70	20	DIID	
COc1ccc(NC(=O)N2CC[C@@H]3CCCC[C@@H]32)cc1Cl	160601951	QIGFDCLVZRQBED-FZMZJTMJSA-N	308.809	4.145	70	20	DIID	
C[C@H](NCc1nnc(-c2ccccc2)s1)c1ccccc1F	160730139	BRXSPVSXEIOEQU-LBPRGKRZSA-N	313.401	4.195	70	20	DIID	
C[C@@H](NCc1csc(-c2ccccc2)n1)c1cncc(F)c1	161490758	MCRWGOOYXUAKNI-GFCCVEGCSA-N	313.401	4.195	70	20	DIID	
CC(C)Oc1ccc(CN[C@H]2CCc3cc(Cl)ccc32)cn1	160096502	ZJACBUKZMKCEEY-KRWDZBQOSA-N	316.832	4.299	70	20	DIID	
O=C(N[C@H]1CCCc2sccc21)c1cncc2ccccc12	160473007	BRWPNVUFVZGXLG-INIZCTEOSA-N	308.406	4.104	70	20	DIID	
CC(C)CC[C@H](C)NC1CCC(NC(=O)OC(C)(C)C)CC1	218092052	SZTIPKTXKMLWNK-FHERZECASA-N	312.498	4.237	70	20	DIID	
COc1ccc(OCCCSCCc2c(C)noc2C)cc1	160096921	FIHAMHIIQIXJJV-UHFFFAOYSA-N	321.442	4.045	70	20	DIID	
CC(C)c1ccc([C@@H]2CCCCN2C(=O)[C@@H]2CCCOC2)cc1	160389809	KASBMJWHIGTRLH-MOPGFXCFSA-N	315.457	4.290	70	20	DIID	
CC[C@H](NC(=O)c1csc2c1CCCC2)c1c(C)noc1C	160580196	UITOKQDJRUREKE-AWEZNQCLSA-N	318.442	4.113	70	20	DIID	
Cc1ccc(-c2cncc(C(=O)Nc3cccnc3Cl)c2)cc1	160605438	KJWHTFLSKARVTL-UHFFFAOYSA-N	323.783	4.358	70	20	DIID	
CC[C@@H](O)c1ccc(OCc2noc(C3CCCCC3)n2)cc1	160851488	MVIZNJMSPRTNAT-MRXNPFEDSA-N	316.401	4.140	70	20	DIID	
O=C(Nc1ncc(Cl)s1)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2	161244954	HCRLFFCTJYBCOJ-GIHOKJNXSA-N	314.813	4.044	70	20	DIID	
C[C@@H]1Cc2ccccc2N1C(=O)NCc1ccc(Cl)cc1	217315332	ATUWFXXVFCANFE-GFCCVEGCSA-N	300.789	4.001	70	20	DIID	
CCC[C@@H](C)CC(=O)N[C@@H](c1cccc(C)c1)c1ccccn1	160105059	QCYSWBJPNYKWFZ-QRWLVFNGSA-N	310.441	4.422	70	20	DIID	
CC[C@H](NC(=O)[C@H]1C[C@@H]1C1CCCCC1)c1c(C)noc1C	160313159	FMCYCDLGGSGTBK-PMPSAXMXSA-N	304.434	4.075	70	20	DIID	
CC1(NCc2ccc(Br)c3cccnc23)CCCC1	160317216	PULAMWNPOXJLPK-UHFFFAOYSA-N	319.246	4.420	70	20	DIID	
Cc1csc([C@@H](NC(=O)C2CCC(C)(C)CC2)C2CC2)n1	160694214	CJIVTPPIMSEEDH-AWEZNQCLSA-N	306.475	4.235	70	20	DIID	
O=C(Nc1ccc(F)cc1F)N[C@H]1CCCc2sccc21	161167560	YHHWUVKNKSRYHR-LBPRGKRZSA-N	308.353	4.225	70	20	DIID	
CC1(C)C[C@H](NC(=O)Nc2ccc3c4c(cccc24)CC3)CCO1	161447002	PSZNUTLVUAFPDI-OAHLLOKOSA-N	324.424	4.018	70	20	DIID	
Cc1cccc(NC(=O)NCCCOc2c(C)cccc2C)c1	217298163	LECGHYLVZJUSKV-UHFFFAOYSA-N	312.413	4.202	70	20	DIID	
CCc1ccc(Oc2cc(Cl)nc(C3CC3)n2)c(OC)c1	218088389	ZXYFJTALTKFRNG-UHFFFAOYSA-N	304.777	4.371	70	20	DIID	
C[C@@H]1CCC[C@@H](OCCCCCC(=O)N(C)c2ccccn2)C1	159970366	NJSXDEUNWZOYIW-IAGOWNOFSA-N	318.461	4.200	70	20	DIID	
C[C@H](NCC(C)(C)c1cccc(C(F)(F)F)c1)c1cnccn1	160259467	WKECVAMTUSCSKV-LBPRGKRZSA-N	323.362	4.124	70	20	DIID	
Cc1ccc(-c2nc(CN[C@@H]3CCOC(C)(C)C3)cs2)cc1	160484840	VYJJXFRBNCLTCR-OAHLLOKOSA-N	316.470	4.166	70	20	DIID	
C[C@H](CC(=O)N1CC2(CCCC2)c2ccccc21)c1ccncc1	161320813	QWODSPHLDQCHJB-MRXNPFEDSA-N	320.436	4.434	70	20	DIID	
Cc1c(C(=O)N(C)Cc2cccn2C)oc2c(Cl)cccc12	160434768	CBYOPKDMTIAMIM-UHFFFAOYSA-N	316.788	4.005	70	20	DIID	
CC[C@@H](NC(=O)c1ccc(Cl)c(C)c1)c1c(C)noc1C	160473601	GCMYORZIPYNUND-CQSZACIVSA-N	306.793	4.134	70	20	DIID	
C[C@H]1CCC[C@H](C(=O)NCc2csc(-c3ccccc3)n2)C1	159444335	SOBKQYJWOYEIEE-ZFWWWQNUSA-N	314.454	4.253	70	20	DIID	
CCS(=O)(=O)c1ccc([C@@H](C)NC2CCC(C)(C)CC2)cc1	159652663	PQBAZQNAFRUUOL-CQSZACIVSA-N	323.502	4.100	70	20	DIID	
Fc1cc(CNc2ccc(C(F)(F)F)nc2)cc(F)c1F	160069922	WEXCHRRAFJGADV-UHFFFAOYSA-N	306.209	4.130	70	20	DIID	
Cc1cc(C)n(-c2ccc(CN(C)Cc3ccccc3F)cc2)n1	216653265	SEFMFRIPIDEVSS-UHFFFAOYSA-N	323.415	4.260	70	20	DIID	
Cc1cc([C@H](C)NC(=O)C[C@@H](C)c2ccncc2)c(C)s1	159682441	HJFICUWPUPBFAE-YPMHNXCESA-N	302.443	4.131	70	20	DIID	
C[C@H](NCc1ccc(N2CCCCCC2)nc1)c1cccs1	160530036	VNTDMIBLHCEUPN-HNNXBMFYSA-N	315.486	4.374	70	20	DIID	
CCc1cnc(NC(=O)N2CCc3ccccc3[C@@H]2CC)s1	161284003	KZTDIQYLIDLQOO-HNNXBMFYSA-N	315.442	4.247	70	20	DIID	
CC[C@@H]1CCCC[C@@H]1NCc1nnc(-c2ccccc2)s1	161430327	ZFLCAMQIOHCWAW-HIFRSBDPSA-N	301.459	4.264	70	20	DIID	
CCSc1cc(Cl)ccc1C(=O)Nc1ccncc1F	161459421	BWAJDAFWKXMOKW-UHFFFAOYSA-N	310.781	4.238	70	20	DIID	
Cc1noc(C)c1[C@@H](C)CC(=O)N[C@@H]1CCCc2sccc21	159883549	YOESKYBZCMPHTQ-IINYFYTJSA-N	318.442	4.040	70	20	DIID	
O=C(/C=C/SCc1ccco1)N[C@H]1CCCc2sccc21	160039453	PJQLRBQFAKPLRI-KGXGESDWSA-N	319.451	4.282	70	20	DIID	
Clc1ccc2c(c1)[C@H](N[C@@H]1CCN3CCCC[C@@H]13)CCS2	218129484	XOVWICDKICKNRW-OAGGEKHMSA-N	322.905	4.093	70	20	DIID	
C[C@@H]1COc2ccccc2N1C(=O)c1cc(F)c(Cl)cc1F	159604053	FXGQIEQOGZZNPF-SECBINFHSA-N	323.726	4.046	70	20	DIID	
Fc1cc(Cl)cc(CNc2ccccc2-n2cccn2)c1	160856675	OETRLFBJFZSBKN-UHFFFAOYSA-N	301.752	4.277	70	20	DIID	
CCc1nc2c(s1)[C@@H](N(C)C(=O)c1ccc(Cl)o1)CCC2	161001640	FCSBLNMQJVUUAG-JTQLQIEISA-N	324.833	4.102	70	20	DIID	
Cc1cc(O)ccc1NC(=O)[C@@H](C)Cc1ccc(Cl)cc1	161080284	VJZLFPRHVLXDOH-LBPRGKRZSA-N	303.789	4.171	70	20	DIID	
CCCCN(C)C(=O)N[C@H](C)c1ccc(OCC2CC2)c(F)c1	161312560	XPNZMDXROAISAI-CYBMUJFWSA-N	322.424	4.117	70	20	DIID	
Cc1cscc1C(=O)Nc1cc(F)ccc1OC(F)F	159367364	QUYXYPKRUVXSAI-UHFFFAOYSA-N	301.289	4.049	70	20	DIID	
Cc1nc(C(C)C)sc1[C@H](C)NC[C@](C)(O)c1ccsc1	159923927	QTRIYIDBQGCSSY-ZBEGNZNMSA-N	324.515	4.195	70	20	DIID	
COc1cccc2c1CC[C@@H]2NC(=O)c1sccc1C(C)C	160077925	JVNACOLCUVBTNF-HNNXBMFYSA-N	315.438	4.297	70	20	DIID	
CCN(Cc1cccc(F)c1)C(=O)c1ccc(C(C)C)nc1	160134680	UMZXMVBXFMIJGR-UHFFFAOYSA-N	300.377	4.006	70	20	DIID	
CC[C@H](NC(=O)Cc1ccc2ccccc2c1)c1c(C)noc1C	160397621	NYGWJFBCAXPPEC-SFHVURJKSA-N	322.408	4.255	70	20	DIID	
COc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(C(C)C)cc2)cc1N	161025789	CXNCNUZKWYJOSE-DLBZAZTESA-N	324.424	4.143	70	20	DIID	
Cc1nc(CS[C@H](C)c2cccc(Br)c2)no1	161420741	WAVCXGZRTADTDS-MRVPVSSYSA-N	313.220	4.135	70	20	DIID	
CC(C)n1cc([C@H](C)N[C@@H]2CCSc3ccc(F)cc32)cn1	159451383	JIHGEECVIRGEMA-BLLLJJGKSA-N	319.449	4.491	70	20	DIID	
CSCC[C@H](C)Nc1ncc(Cl)cc1Br	159633783	SQYZQBXEXJVOFF-ZETCQYMHSA-N	309.660	4.051	70	20	DIID	
C[C@H](Nc1ccccc1O[C@@H]1CCOC1)c1ccc(F)cc1F	159947993	YHXXMAPCYINDRN-GXTWGEPZSA-N	319.351	4.306	70	20	DIID	
CC[C@@H](NC(=O)C[C@H](C)c1cccc(F)c1)c1c(C)noc1C	160610240	BQWWKFWQAMPNNS-MEDUHNTESA-N	318.392	4.192	70	20	DIID	
CC(=O)Nc1cc(NCc2ccc(Cl)cc2F)ccc1C	160748356	CKRJVMFPPAAESU-UHFFFAOYSA-N	306.768	4.358	70	20	DIID	
c1ccc(OCc2nc3ccccc3n2Cc2nccs2)cc1	161124635	UIADRONSJGZBKN-UHFFFAOYSA-N	321.405	4.120	70	20	DIID	
O=C1[C@@H](Sc2nc3ccccc3o2)CCCN1c1ccccc1	217203169	GTTLJRCGFRSIOP-INIZCTEOSA-N	324.405	4.116	70	20	DIID	
C[C@@H](NC(=O)NCC1CCCC1)c1ccc2c(c1)CCCC2	217566223	IMZMIAJNRPCRPN-CQSZACIVSA-N	300.446	4.116	70	20	DIID	
CC(C)(C)OC(=O)Nc1ccc(NC2CCSCC2)cc1	159409023	HLRSAPDUKCIDRZ-UHFFFAOYSA-N	308.447	4.341	70	20	DIID	
CC[C@@H](CSC)Nc1ncc(Cl)cc1Br	159638902	XGGUHJMUBQRAQH-QMMMGPOBSA-N	309.660	4.051	70	20	DIID	
CC[C@H](NC(=O)C/C=C/c1ccccc1F)c1c(C)noc1C	159985654	RPLCWQOLSOKXCV-DYLHUKMJSA-N	316.376	4.101	70	20	DIID	
Cc1cccc([C@H](C)NCc2nnc(-c3ccccc3)s2)c1	160736542	JHJHIFLPZDUHNZ-AWEZNQCLSA-N	309.438	4.364	70	20	DIID	
Cc1cccc([C@@H](C)N[C@H](CN2CCCC2=O)c2ccccc2)c1	160777882	JRROUGQXKKVISR-YLJYHZDGSA-N	322.452	4.009	70	20	DIID	
CCN(C(=O)C[C@@H](C)SC)[C@@H](C)c1cc2ccccc2o1	160949950	QSOYXOANSJZGAN-OLZOCXBDSA-N	305.443	4.484	70	20	DIID	
C[C@H](CC(=O)N(CC1CCC1)c1ccccc1)c1ccncc1	161405528	BTYCDPNJHXZDMP-MRXNPFEDSA-N	308.425	4.409	70	20	DIID	
Cc1c(NC(=O)N2CCC[C@@H]2C2CCC2)cnn1CCC(C)C	161502483	VGDVUINCSQBTTG-QGZVFWFLSA-N	318.465	4.034	70	20	DIID	
O=C(NCc1ccc2ccccc2c1)Nc1ccc2c(c1)CCO2	216912113	KWVJNFNWCPDJPQ-UHFFFAOYSA-N	318.376	4.096	70	20	DIID	
C[C@H](NC[C@@H](Cc1ccccc1)c1ccccc1)c1cnn(C)c1	161244859	OUTPIVDLKLRHTG-FXAWDEMLSA-N	319.452	4.097	70	20	DIID	
CC(C)[C@H]1CN(C(=O)CC2CCSCC2)c2ccccc2N1	161324687	ZSRHTAKDPMQDNP-MRXNPFEDSA-N	318.486	4.003	70	20	DIID	
C[C@H](NC1CCN(C)CC1)c1ccc(-c2ccc(F)cc2)s1	161483855	UOUVZFRFFSHDHX-ZDUSSCGKSA-N	318.461	4.299	70	20	DIID	
COc1ccc(N(C)C(=O)c2ccc3cc[nH]c3c2)cc1Cl	160262849	MBSQWJFXZSAGPP-UHFFFAOYSA-N	314.772	4.107	70	20	DIID	
O=C(CCCc1ccccc1)N[C@@H]1CCOC2(CCCCC2)C1	160479559	FJJJJBREMLMXOL-GOSISDBHSA-N	315.457	4.007	70	20	DIID	
CC(=O)Nc1ccc(F)c(NCc2ccc(Cl)cc2F)c1	160687173	IDVOPWBJXOUXRG-UHFFFAOYSA-N	310.731	4.189	70	20	DIID	
COc1ccc([C@@H](C)NCCCCc2nc(C)cs2)cc1	160700155	ZPDCUHJBHGGKEC-CQSZACIVSA-N	304.459	4.134	70	20	DIID	
Cc1ccc(N[C@H](C)C(=O)Nc2cc(Cl)ccc2F)cc1F	218734657	IOQPJXNIOOAZBC-SNVBAGLBSA-N	324.758	4.366	70	20	DIID	
COc1ccc(N(C)C(=O)c2cc(F)ccc2C)cc1Cl	159998073	ALMRHQILSLFNAO-UHFFFAOYSA-N	307.752	4.073	70	20	DIID	
COCc1ccccc1NC(=O)NCC(C)(C)C1CCCC1	160717392	FIBWKSGCOFMCLN-UHFFFAOYSA-N	304.434	4.171	70	20	DIID	
CSCC[C@@H](C)N(C)C(=O)c1cc(Cl)c2ccccc2n1	161241954	ZOCYMTUACARVPD-LLVKDONJSA-N	322.861	4.102	70	20	DIID	
Clc1ccc2c(c1)[C@H](N[C@H]1CCN3CCCC[C@@H]13)CCS2	218129633	XOVWICDKICKNRW-PMPSAXMXSA-N	322.905	4.093	70	20	DIID	
Cc1c(C(=O)Nc2cccc3ccccc23)cnn1CC(C)C	160565694	SKJQWASNFIGPJC-UHFFFAOYSA-N	307.397	4.253	70	20	DIID	
Cc1ccc(CN[C@H](C)c2nc(-c3ccccc3)cs2)cn1	161319070	JBSVHFAMEUKZRY-CQSZACIVSA-N	309.438	4.364	70	20	DIID	
CCOCc1ccc(NC(=O)N2C[C@H](C)[C@@H]2c2ccccc2)cc1	161470722	LDRKKYQKCJPSCW-HNAYVOBHSA-N	324.424	4.448	70	20	DIID	
c1ccc([C@H]2CCCN(Cc3noc4c3CCCC4)CC2)cc1	217029055	CDIWUAMOHZMVLG-KRWDZBQOSA-N	310.441	4.323	70	20	DIID	
CCOc1ccc(Cl)cc1CCN[C@@H](C)c1cccnc1	160006486	NJVHFRKUHXWKHJ-ZDUSSCGKSA-N	304.821	4.027	70	20	DIID	
CC[C@@H](NC(=O)c1ccc(C)c(Cl)c1)c1c(C)noc1C	160195387	UPMNISNVHYFQHL-CQSZACIVSA-N	306.793	4.134	70	20	DIID	
CC[C@@H](N[C@H](CCCO)c1ccccc1)c1ccc(OC)cc1	160769387	MSPKJQSBAOLLOI-WOJBJXKFSA-N	313.441	4.250	70	20	DIID	
O=C(c1ccncc1)N1CCCC[C@@H]1CCCc1ccccc1	161240593	INQAKUFPGCABAY-LJQANCHMSA-N	308.425	4.099	70	20	DIID	
CC[C@@H]1CCCCN1C(=O)Nc1cnn(CCC(C)C)c1C	161418576	QKVVNFGJBXYLMO-OAHLLOKOSA-N	306.454	4.034	70	20	DIID	
c1ccc(-c2nc(CNCCCC3CCCC3)cs2)nc1	218213174	ZQMCZQLAAKZVPC-UHFFFAOYSA-N	301.459	4.265	70	20	DIID	
Cc1cc(Cl)ccc1C(=O)Nc1nnc(C(C)(C)C)s1	160152766	UVRRQPRFIKWDRN-UHFFFAOYSA-N	309.822	4.050	70	20	DIID	
C/C(=C/C(=O)N(C)Cc1ccoc1C)c1ccccc1Cl	216674610	YUJHYRKYOPXWDQ-BENRWUELSA-N	303.789	4.303	70	20	DIID	
CC(C)[C@@H]1CCCN(CC2CCN(C(=O)C(C)(C)C)CC2)CC1	159699025	WLFIBLUKTKIDDK-GOSISDBHSA-N	322.537	4.029	70	20	DIID	
CC[C@@H](NC(=O)C[C@@H](C)c1ccncc1)C(C)(C)c1ccccc1	160786995	XDVDALOTDDGVHG-VQIMIIECSA-N	324.468	4.448	70	20	DIID	
CCCCOCCCNC(=O)Nc1ccc(C(C)(C)C)cc1	217301201	PQZACHZBPLZAME-UHFFFAOYSA-N	306.450	4.312	70	20	DIID	
CC(C)c1cccc(NC(=O)c2csc([C@H]3CCCO3)n2)c1	159402615	WRBOBAQFJMSRBS-OAHLLOKOSA-N	316.426	4.370	70	20	DIID	
Cc1ccccc1[C@H](C)Nc1cccc(N2CCCNC2=O)c1	159705779	VJUAYDXCCZJYEF-HNNXBMFYSA-N	309.413	4.088	70	20	DIID	
COCC1CCN(C(=O)C[C@H](C)c2ccc(C(C)C)cc2)CC1	159957822	XKWWBWNIQPGEQC-INIZCTEOSA-N	317.473	4.189	70	20	DIID	
CC(C)n1cc2cc(NC(=O)c3cccn3C(C)C)ccc2n1	160458667	PVBXMFWFMXHRDO-UHFFFAOYSA-N	310.401	4.252	70	20	DIID	
Cc1noc(C)c1[C@@H](C)CC(=O)N1CCC[C@H]1CCC(C)C	160494911	SYCQWBXNIVJVCH-BBRMVZONSA-N	306.450	4.212	70	20	DIID	
Fc1ccc2oc(N[C@H]3CCO[C@@H](c4ccccc4)C3)nc2c1	160586776	MMDXHSXFXLKQDJ-WMLDXEAASA-N	312.344	4.299	70	20	DIID	
CC[C@@H](NCc1ccc(OC(C)C)nc1)c1ccc(F)cc1F	160765967	FCGMMLCTXQKYDY-QGZVFWFLSA-N	320.383	4.388	70	20	DIID	
CC1(C)CCCC[C@H]1CC(=O)Nc1nnc(C(F)F)s1	161158522	OYOLJRFYNFAHLM-QMMMGPOBSA-N	303.378	4.021	70	20	DIID	
COc1cccc(NC(=O)N2CCC(C)(c3ccccc3)CC2)c1	159728107	JTBCOSPODVSFTM-UHFFFAOYSA-N	324.424	4.281	70	20	DIID	
CC[C@H](NC1CCN([C@H](C)c2ccncc2)CC1)c1ccccc1	159884009	DVEYJTXQUVHFOM-UTKZUKDTSA-N	323.484	4.348	70	20	DIID	
CN(Cc1cccc(N(C)C)c1)Cc1cc(-c2ccccc2)no1	159885329	JLWOOHGLBJFFGS-UHFFFAOYSA-N	321.424	4.040	70	20	DIID	
COCCCC(=O)N1CCCC[C@@H]1c1ccc(C(C)C)cc1	160365039	JAXXNHJIMKJWRO-GOSISDBHSA-N	303.446	4.290	70	20	DIID	
CC[C@@H](NC(=O)c1cc2c(s1)CCCC2)c1c(C)noc1C	160524639	SVYCQQDQRFXCBN-CYBMUJFWSA-N	318.442	4.113	70	20	DIID	
CC[C@H](NCc1ccc(OC(C)C)nc1)c1ccc(F)cc1F	160765824	FCGMMLCTXQKYDY-KRWDZBQOSA-N	320.383	4.388	70	20	DIID	
Cc1ccc([C@H](C)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)o1	161040839	AZUZEKPPYQZGAK-IFXJQAMLSA-N	315.413	4.407	70	20	DIID	
CCCOc1ccc(NC(=O)N2CC[C@@H](C)[C@H](C)C2)c(C)c1	159778421	MLJWPNFETUHOKO-UKRRQHHQSA-N	304.434	4.294	70	20	DIID	
C[C@@H](c1cccs1)N(C)C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F	160915038	IOCGFQMFSAHRSB-UHTWSYAYSA-N	321.392	4.349	70	20	DIID	
Cc1ccccc1N(CC(=O)Nc1c(C)cccc1C)C(C)C	216925620	XRGQGFPMDKQVQM-UHFFFAOYSA-N	310.441	4.465	70	20	DIID	
C[C@@H](NC[C@H](O)Cc1ccccc1)c1cccc2ccccc12	218711472	RQPSZYPWTRLSLC-VQIMIIECSA-N	305.421	4.094	70	20	DIID	
CC1CCN(c2cccc(NC(=O)N(C)[C@H](C)C3CC3)c2)CC1	159726107	HDDFURCKXBECNK-OAHLLOKOSA-N	315.461	4.185	70	20	DIID	
CC(=O)c1c(C)[nH]c(C(=O)N[C@H]2CC[C@H](C)c3ccccc32)c1C	159763343	DOHDRIJWYZQAQM-GTNSWQLSSA-N	324.424	4.203	70	20	DIID	
Cc1ncc([C@@H](C)NCCSc2ccc(Cl)cc2)c(C)n1	160060494	IRZAMGLYSRJRJF-LLVKDONJSA-N	321.877	4.190	70	20	DIID	
Cc1nc(-c2ccsc2)ccc1C(=O)NCC1(C2CC2)CC1	160107426	XSPKXXNKOKUBMP-UHFFFAOYSA-N	312.438	4.039	70	20	DIID	
CCC(=O)Nc1ccc(NC(=O)C(C)(C)C2CCCC2)cc1	159892340	KLKFUCLGVJWUOU-UHFFFAOYSA-N	302.418	4.190	70	20	DIID	
CC(C)(C)c1ccc(C(=O)N[C@@H]2CCOC3(CCCC3)C2)s1	160161282	QUCGQTWMFGXHTC-CYBMUJFWSA-N	321.486	4.267	70	20	DIID	
CN(Cc1ccc(Br)cc1Cl)[C@@H]1CCSC1	160995004	BAEFSFYYLTZZOS-LLVKDONJSA-N	320.683	4.040	70	20	DIID	
C[C@H](N[C@@H]1CCN2CCCC[C@@H]12)c1ccc(Cl)cc1Cl	217685068	JRUBEORZRXYQNN-XZJROXQQSA-N	313.272	4.271	70	20	DIID	
CC(C)COc1ccc([C@@H](C)N[C@H]2CCOC(C)(C)C2)cc1	159949914	NIEMWEIIJVFSMY-WBVHZDCISA-N	305.462	4.330	70	20	DIID	
CCc1nc(C)c([C@H](C)NCc2ccc(OC(C)C)nc2)s1	160038282	DPZVRDMTLSFNCG-LBPRGKRZSA-N	319.474	4.047	70	20	DIID	
CCN(C)C(=O)N[C@H](c1ccc(C(F)(F)F)cc1)C(C)C	160446873	QUIFOSAXENWLSO-ZDUSSCGKSA-N	302.340	4.064	70	20	DIID	
C[C@H](Cc1nnc(SCc2nccs2)o1)c1ccccc1	161251210	FRRHYMJIIFXUOT-LLVKDONJSA-N	317.439	4.165	70	20	DIID	
CCc1ccc(C(C)(C)NC(=O)C[C@H](C)c2ccncc2)cc1	161331965	HFJKKSNQFRUPDY-HNNXBMFYSA-N	310.441	4.189	70	20	DIID	
Cc1ccc(-c2n[nH]c(NC(=O)c3cc4ccccc4o3)c2C)o1	161355774	FKKPQEVJWYMJSX-UHFFFAOYSA-N	321.336	4.285	70	20	DIID	
C[C@H](N[C@@H]1CCN2CCCC[C@@H]12)c1ccc(Cl)c(Cl)c1	217665540	VOXAZYJNPCOPOC-XZJROXQQSA-N	313.272	4.271	70	20	DIID	
CC(C)CC[C@H](C)NC(=O)N[C@@H]1CCSc2c(F)cccc21	218053158	KBQCBEYNDMHQAF-SWLSCSKDSA-N	324.465	4.487	70	20	DIID	
C[C@H](NC[C@H](O)Cc1ccccc1)c1ccc2ccccc2c1	218707145	VCUOHKUAEHESKU-HRAATJIYSA-N	305.421	4.094	70	20	DIID	
CCS[C@H]1CCC[C@H](NC2CCN(c3ccccc3)CC2)C1	159416333	NICLPYSWORGWCU-HKUYNNGSSA-N	318.530	4.309	70	20	DIID	
CC(=O)Nc1cccc([C@@H](C)NCCc2cc(C)cc(C)c2)c1	159449646	ICQIXUMHRNSZOU-MRXNPFEDSA-N	310.441	4.155	70	20	DIID	
CCCOc1ccc([C@H](C)N[C@@H](C)c2ccco2)cc1OC	160005624	IGWMNYHICGKAIL-KBPBESRZSA-N	303.402	4.489	70	20	DIID	
CSC[C@H](CCO)N[C@H](C)c1ccc(-c2cccs2)cc1	160183711	DFSGEYXPULCCBU-CJNGLKHVSA-N	321.511	4.180	70	20	DIID	
O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1coc2ccccc12	160335509	RWZRGZFGEFTFDO-CQSZACIVSA-N	313.397	4.045	70	20	DIID	
CC(C)(C)c1ccc(C(=O)N[C@H]2CCOC3(CCCC3)C2)cc1	159720454	BPKATCCMWHNRRL-KRWDZBQOSA-N	315.457	4.206	70	20	DIID	
CCSc1cc(Cl)ccc1C(=O)Nc1ccc(F)cn1	159759441	DGONSTAFEXDJOF-UHFFFAOYSA-N	310.781	4.238	70	20	DIID	
CC[C@@H](NC(=O)C1(CC(C)C)CCCC1)c1c(C)noc1C	160374266	OHQIYYJPEUXWQR-OAHLLOKOSA-N	306.450	4.465	70	20	DIID	
CC[C@H](CC(=O)Nc1ccc(OC)c(N)c1)c1ccc(C)cc1	161027233	WIDMKCYJIAIXBE-CQSZACIVSA-N	312.413	4.108	70	20	DIID	
COc1cccc([C@@H](C)C(=O)N[C@H]2CCCc3sccc32)c1	159808638	LPNOBTMQQPCMAA-WBMJQRKESA-N	315.438	4.054	70	20	DIID	
CCC(CC)c1cc(C(=O)N[C@@H](CC)c2c(C)noc2C)on1	159983299	FYQHTXKAURUZJG-ZDUSSCGKSA-N	319.405	4.064	70	20	DIID	
CC(C)n1nccc1C(=O)N(C1CC1)[C@@H]1CCCc2ccccc21	160083444	MEWVOTFDIUANMR-GOSISDBHSA-N	323.440	4.146	70	20	DIID	
CC[C@@H](NC(=O)C[C@@H](C)c1ccccc1C)c1c(C)noc1C	160203229	HINZRJDHMOZUHJ-CXAGYDPISA-N	314.429	4.361	70	20	DIID	
Cc1ccc(C(=O)CCN2CCC[C@@H]2c2cccc(C)n2)cc1	160288571	DZLBKOLXDUHLRJ-LJQANCHMSA-N	308.425	4.108	70	20	DIID	
CC(C)c1cc(C(=O)Nc2ccc3nc(C4CC4)oc3c2)no1	160382430	TWOBTMPREIZTSA-UHFFFAOYSA-N	311.341	4.069	70	20	DIID	
CC[C@H](CN[C@H](C)c1cnn(CC)c1)Oc1ccccc1Cl	160445215	KCPSJDDXLKOZAX-UKRRQHHQSA-N	321.852	4.065	70	20	DIID	
Fc1cc(Cl)ccc1CNc1cccc(-c2nnco2)c1	160669861	XRPLRTKAXFZSFE-UHFFFAOYSA-N	303.724	4.141	70	20	DIID	
COc1cccc(NC(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c1	217273282	YFEDJNUWBURDLL-KDOFPFPSSA-N	302.418	4.128	70	20	DIID	
CC[C@@H](N[C@@H](C)C(=O)N1CCCCCC1)c1ccc(Cl)cc1	218038051	VSAYXYKJQZNJGK-WMLDXEAASA-N	322.880	4.172	70	20	DIID	
CCO[C@H](C)c1nccn1CCSc1ccc(C)c(C)c1	159464339	QOHHJMYPYUIWCL-OAHLLOKOSA-N	304.459	4.390	70	20	DIID	
CCc1noc(C)c1CSCc1nc(-c2ccccc2)no1	159685371	VLXVTMCOBBDYQR-UHFFFAOYSA-N	315.398	4.029	70	20	DIID	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1ccc(-c2cc[nH]n2)cc1	160994301	OQYSOTKUNXTACJ-HUUCEWRRSA-N	323.421	4.189	70	20	DIID	
CCCCOc1ccc(CCN[C@@H](C)c2cncs2)cc1	161388651	NKYCYDNKSVAPKO-AWEZNQCLSA-N	304.459	4.215	70	20	DIID	
Cc1nc(CS[C@@H](C)c2cccc(Br)c2)no1	161420596	WAVCXGZRTADTDS-QMMMGPOBSA-N	313.220	4.135	70	20	DIID	
Cc1ccc(-c2cncc(C(=O)N(C)[C@@H](C)c3ccco3)c2)cc1	161436725	MDVQAGYZEMIHQZ-HNNXBMFYSA-N	320.392	4.483	70	20	DIID	
CCc1ccc([C@@H](C)NC(=O)NCCc2ccccc2C)cc1	217315635	MZFNVTVFFHDWMN-MRXNPFEDSA-N	310.441	4.160	70	20	DIID	
CCn1nccc1CN[C@H](CC(C)(C)C)c1ccc(F)cc1	160025699	ZPMCXUGGRXQMKX-QGZVFWFLSA-N	303.425	4.309	70	20	DIID	
CCC[C@H](C)CC(=O)N[C@H](c1cccc(C)c1)c1ccccn1	160105438	QCYSWBJPNYKWFZ-MGPUTAFESA-N	310.441	4.422	70	20	DIID	
CC(C)C[C@H]1CCCN(CC2CCN(C(=O)C(C)(C)C)CC2)C1	160169455	UESWHHWLSRRDDD-GOSISDBHSA-N	322.537	4.029	70	20	DIID	
CN(Cc1ccccc1)C(=O)c1ccccc1NCc1ccco1	160505756	PSOWSLWGXNQHPZ-UHFFFAOYSA-N	320.392	4.164	70	20	DIID	
CC[C@H]1CCCC[C@H]1N(C)C(=O)c1coc(Br)c1	160802776	AVIWBPYCKXFBEX-CMPLNLGQSA-N	314.223	4.083	70	20	DIID	
Cc1nc2c(s1)[C@@H](NCC1(c3ccc(F)cc3)CC1)CCC2	161370253	ATADZCQEYWTGQF-HNNXBMFYSA-N	316.445	4.289	70	20	DIID	
CC(C)(C)OC(=O)Nc1ccc(OCc2nccs2)cc1	161376377	QWCIEZWXOSWUIY-UHFFFAOYSA-N	306.387	4.069	70	20	DIID	
CCCCOc1ccc(NC(=O)N(C)[C@H]2CCSC2)c(C)c1	161499545	KUVKKWCZQNVUDS-AWEZNQCLSA-N	322.474	4.143	70	20	DIID	
CC(C)CN(CC(C)C)C(=O)NCCc1cccc(Cl)c1	217464674	CVVFBQLAZUZXLE-UHFFFAOYSA-N	310.869	4.206	70	20	DIID	
CO[C@H](CNC(=O)Nc1cccc(C)c1)c1ccccc1Cl	218353861	KKDAZGAOEHERNB-MRXNPFEDSA-N	318.804	4.158	70	20	DIID	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1cccc2ncccc12	159395365	XSLZEJHBKATEDR-KGLIPLIRSA-N	308.406	4.347	70	20	DIID	
CCC(=O)Nc1ccc(Cl)c(NCc2c(CC)noc2C)c1	159451689	HNXVCIBDRCXSFQ-UHFFFAOYSA-N	321.808	4.159	70	20	DIID	
Cc1nc(-c2ccccc2)ncc1C(=O)N1C[C@H](C)CCC[C@@H]1C	159489440	JOOBRURIIIYULH-CABCVRRESA-N	323.440	4.103	70	20	DIID	
Cc1ncsc1CN1CCC[C@H]1c1nc2ccccc2s1	160718455	KMDWJOCICZLZHS-ZDUSSCGKSA-N	315.467	4.398	70	20	DIID	
Cc1ocnc1C(=O)N1CCCC[C@H]1CCCc1ccccc1	161157326	ZXJSQALWUKHLOQ-KRWDZBQOSA-N	312.413	4.001	70	20	DIID	
COc1ccc([C@H](C)N(C)Cc2csc(C3CC3)n2)cc1	161357302	HTWAROSFOFOSRE-LBPRGKRZSA-N	302.443	4.222	70	20	DIID	
Cc1cc(C)cc([C@@H](C)NC(=O)N(C)CCc2ccccc2)c1	216991650	GKRHGIQOPZZCPV-QGZVFWFLSA-N	310.441	4.249	70	20	DIID	
Cc1cc(C)c(NC(=O)NCc2ccccc2F)c(Cl)c1	217314038	UCNVNQUKOVJUPN-UHFFFAOYSA-N	306.768	4.418	70	20	DIID	
COCCOc1cc(C)ccc1CN[C@@H](C)c1ccccc1C	159784439	WSAHWWWROYXHSZ-KRWDZBQOSA-N	313.441	4.179	70	20	DIID	
CCCn1c(C)nnc1SCCCSCc1ccccc1	160337703	GKFKYIYRAXYBQZ-UHFFFAOYSA-N	321.515	4.412	70	20	DIID	
CC(C)(C)c1cnc([S@](=O)Cc2ccccc2Cl)s1	160468349	UKRLNXADVRVRAP-IBGZPJMESA-N	313.875	4.402	70	20	DIID	
C[C@@H](N[C@H](CCCO)c1ccccc1)c1ccc2c(c1)CCC2	160740458	AKZWBAOXAMFEGP-IIBYNOLFSA-N	309.453	4.340	70	20	DIID	
Cc1ccc([C@H](C)N[C@@H](CN2CCCC2=O)c2ccccc2)cc1	160774864	XLSFDJYBDLBGIV-PXNSSMCTSA-N	322.452	4.009	70	20	DIID	
CC(C)(C)c1cnc([S@](=O)Cc2ccc(F)cc2F)s1	160578889	BVXYJIRFLDQCFH-FQEVSTJZSA-N	315.410	4.027	70	20	DIID	
CC[C@@H](NC(=O)Nc1ccnc(C)c1Cl)c1nc(C)cs1	159479698	HSJMPSBQVXEEIR-SNVBAGLBSA-N	324.837	4.081	70	20	DIID	
Cc1cccc([C@@H](NC(=O)c2oc(C)cc2C)c2ccccn2)c1	159798577	CUBJIOVKRJCUEK-GOSISDBHSA-N	320.392	4.119	70	20	DIID	
Cc1ccsc1CCCC(=O)N1CCC[C@H]1c1ccncc1	160458749	BRGVZYZXPJGINC-INIZCTEOSA-N	314.454	4.138	70	20	DIID	
Cc1nc2ccc(NC(=O)N3CC[C@@H]4CCCC[C@@H]43)cc2s1	160609796	HGZVFCQODWYOIU-WFASDCNBSA-N	315.442	4.401	70	20	DIID	
CS[C@H]1CCC[C@@H](NCc2cccc3c2OC(C)(C)C3)C1	217811978	NUPODOGEQDKSGF-CVEARBPZSA-N	305.487	4.164	70	20	DIID	
COc1cc(C)ccc1NC(=O)C[C@H](C)c1ccc(F)cc1F	159768543	CMVGZQFAGPXEOS-LBPRGKRZSA-N	319.351	4.414	70	20	DIID	
Cc1cccc([C@@H]2CCCN2CCO[C@@H]2CCCC[C@@H]2C)n1	159952341	TVNUNEQNVLPZCO-ZYSHUDEJSA-N	302.462	4.122	70	20	DIID	
C[C@H](NCC1(Sc2ccccc2)CCCC1)[C@H]1CCOC1	160351219	LARFTHACSUTMIA-HOTGVXAUSA-N	305.487	4.106	70	20	DIID	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)NCCCOC1CCCCC1	159871395	CSJONDORJBGOKI-HOTGVXAUSA-N	321.486	4.016	70	20	DIID	
CC1(C)C[C@H](N[C@@H](c2ccccc2)c2ccc(F)cc2)CCO1	159942482	KBPKTYQLXXWXGX-MOPGFXCFSA-N	313.416	4.462	70	20	DIID	
CC[C@H](NC(=O)[C@H]1C[C@@H]1c1sccc1C)c1c(C)noc1C	160318515	IURIETREGXODCK-IHRRRGAJSA-N	318.442	4.032	70	20	DIID	
C[C@H]1C[C@H](NCC2(Sc3ccccc3)CCCC2)CCN1C	160348850	WJHPOANLGPQFDH-DLBZAZTESA-N	318.530	4.164	70	20	DIID	
COc1cc(Cl)c(CN[C@@H]2CCOC(C)(C)C2)cc1Cl	160504917	QKIDRDVWQFHZAK-LLVKDONJSA-N	318.244	4.049	70	20	DIID	
CCOCCC1(C(=O)N[C@H](C)c2ccc(Cl)cc2)CCC1	160612589	PGEYFNFSXMHYFI-CYBMUJFWSA-N	309.837	4.114	70	20	DIID	
CC(C)(C)c1ccc(NC(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)cc1	160965595	PHONMEBKYCIQHH-IAGOWNOFSA-N	316.445	4.063	70	20	DIID	
CCCCn1ncc(C(=O)N[C@@H](C)c2ccccc2Cl)c1C	159929219	HWHXYDLWPOFKAS-LBPRGKRZSA-N	319.836	4.136	70	20	DIID	
CN(Cc1ccccn1)C(=O)c1ccccc1OC1CCCCC1	161115679	VIJMXQAFZQNRDX-UHFFFAOYSA-N	324.424	4.065	70	20	DIID	
C[C@@H](NC1CCN(C)CC1)c1ccc(-c2ccccc2F)s1	161432691	PZFOSORZBIHHFI-CYBMUJFWSA-N	318.461	4.299	70	20	DIID	
C[C@H](NC[C@H](c1cccs1)N1CCCC1)c1ccccc1	216635689	TTXNSROFVULGEH-DOTOQJQBSA-N	300.471	4.236	70	20	DIID	
Cc1cc(C)cc(C(=O)Nc2cc(C)nn2-c2ccc(F)cc2)c1	217340214	NHXSEYAOBIFMAI-UHFFFAOYSA-N	323.371	4.189	70	20	DIID	
CC[C@H](C)N(C)CCN[C@@H](C)c1cccc(-c2ccncc2)c1	160151703	YNMDBXNJGKVZSR-IRXDYDNUSA-N	311.473	4.130	70	20	DIID	
CCN(C(=O)c1ccc(O)nc1C)[C@H](C)c1cc2ccccc2o1	160410362	VQSVEWHAINRAEX-CYBMUJFWSA-N	324.380	4.065	70	20	DIID	
CSc1cc(C(=O)N2CC[C@H](c3ccccc3)C2)ccc1F	160433731	VGRXYMMBHOCNTA-HNNXBMFYSA-N	315.413	4.177	70	20	DIID	
CCCNC(=O)c1cccc(CN[C@H](C)c2cc(C)cc(C)c2)c1	160561237	ARRDZKMFFGPGHX-QGZVFWFLSA-N	324.468	4.294	70	20	DIID	
CC[C@@H](NCc1nnc(-c2ccccc2)s1)c1ccccc1	160732416	ZVWLGEUQYAEHFQ-MRXNPFEDSA-N	309.438	4.446	70	20	DIID	
C[C@H]1CCc2nc(CN[C@@H]3CCCc4sccc43)sc2C1	160993301	ARBJAMRRGRKMQM-WCQYABFASA-N	318.511	4.497	70	20	DIID	
C[C@@H](N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1cccs1	161128039	PPKOBQUWHUSRNY-KZULUSFZSA-N	315.438	4.321	70	20	DIID	
Cc1ncc([C@H](C)N[C@H](C)c2ccc3c(c2)CCCC3)c(C)n1	160294518	ALWJFAYBIUKNCQ-KGLIPLIRSA-N	309.457	4.384	70	20	DIID	
Cc1cccc([C@@H]2CCCN2Cc2csc(C(C)C)n2)n1	160438204	VBEMMJDEXDEVRE-INIZCTEOSA-N	301.459	4.307	70	20	DIID	
C[C@@H]1CCC[C@@H](CC(=O)N[C@@H]2CCOC3(CCCCC3)C2)C1	160915118	RPSRMNBOIHKNSP-BRWVUGGUSA-N	307.478	4.201	70	20	DIID	
COc1ccc(N(C)C(=O)C[C@@H](C)c2ccc(F)cc2)cc1F	159641849	NEKOEXCYGNKJJA-GFCCVEGCSA-N	319.351	4.130	70	20	DIID	
Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NCCC(C)(C)O	159834535	CTSSWLCJEKFDQY-NSHDSACASA-N	322.449	4.069	70	20	DIID	
O=C(CCC1CCCCC1)N[C@H]1CCOC2(CCCCC2)C1	160471116	DZTZUDFWDZHJKW-KRWDZBQOSA-N	307.478	4.345	70	20	DIID	
Cc1cc(N[C@H]2CCO[C@@H](c3ccccc3)C2)nc(C(C)C)n1	160602673	HZCUCICQQSTEOL-DLBZAZTESA-N	311.429	4.241	70	20	DIID	
CC(C)CCn1ccc(NC(=O)N2CCC3(CCCC3)CC2)n1	160931770	DTZSPUFZLIOTDE-UHFFFAOYSA-N	318.465	4.117	70	20	DIID	
Cc1cc(O)ccc1NC(=O)c1cc2ccc(F)cc2s1	161179987	NQYYZTXFKMVFON-UHFFFAOYSA-N	301.342	4.307	70	20	DIID	
CCOCc1ccc(NC(=O)N2C[C@@H](C)[C@@H]2c2ccccc2)cc1	161470799	LDRKKYQKCJPSCW-DNVCBOLYSA-N	324.424	4.448	70	20	DIID	
CC(=O)Nc1cccc([C@H](C)NCCc2cc(C)cc(C)c2)c1	159449487	ICQIXUMHRNSZOU-INIZCTEOSA-N	310.441	4.155	70	20	DIID	
Cc1cc(C)cc(CCC(=O)NC2CCC(OC(C)C)CC2)c1	159524037	CNICCLXRFOEVRF-UHFFFAOYSA-N	317.473	4.088	70	20	DIID	
CC(C)N(C)c1cccc(NC(=O)N(CC2CC2)CC2CC2)c1	160093402	UTKMDIUSTBGLSC-UHFFFAOYSA-N	315.461	4.185	70	20	DIID	
CC(C)COc1ccccc1NC(=O)C[C@H](C)c1ccncc1	160161107	WMEKWXHWSWUNAG-HNNXBMFYSA-N	312.413	4.249	70	20	DIID	
CC(=O)c1c(F)cccc1NC[C@@](C)(O)c1ccccc1Cl	160186314	LMVPWTAJSFLWMA-QGZVFWFLSA-N	321.779	4.001	70	20	DIID	
CCc1ccc([C@@H](C)C(=O)N[C@@H](CC)c2c(C)noc2C)cc1	160506676	GOJDZXBPJNKIAM-PXAZEXFGSA-N	314.429	4.225	70	20	DIID	
Cc1ccccc1[C@H](NC(=O)C[C@@H](C)c1ccncc1)C(C)C	160562100	JKVUYYSXDOSECU-OXQOHEQNSA-N	310.441	4.397	70	20	DIID	
CCC(CC)n1nccc1C(=O)N1CCC[C@@H]1c1cccs1	160959626	BVARMJIMISCYDW-CQSZACIVSA-N	317.458	4.283	70	20	DIID	
Cc1c(NC(=O)N(C2CC2)[C@H](C)C2CC2)cnn1CCC(C)C	161472260	BLTHYBBMJFEJSD-CYBMUJFWSA-N	318.465	4.032	70	20	DIID	
CS[C@@H](C)CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1	160220258	NWLYMRKYQPRCHL-VIFPVBQESA-N	306.258	4.093	70	20	DIID	
CC1(C)C[C@H](Nc2ncc(C(F)(F)F)cc2Cl)CCO1	160560785	GRSNOODDFKMKGB-SECBINFHSA-N	308.731	4.123	70	20	DIID	
CC(C)C[C@H]1CCCCN1CC1CCN(C(=O)C(C)(C)C)CC1	160695216	TZGVAELCHAXVFE-GOSISDBHSA-N	322.537	4.172	70	20	DIID	
O=C(c1cccnc1)N1CCCC[C@@H]1CCCc1ccccc1	161174075	YTCIYRBWYNKFQE-LJQANCHMSA-N	308.425	4.099	70	20	DIID	
Cc1ccc(CN[C@H](C)[C@@H](C)c2nc3ccccc3s2)cn1	161294053	QZFXXMKIJHHHIR-ZIAGYGMSSA-N	311.454	4.282	70	20	DIID	
CC(=O)c1ccc(Cl)c(Cl)c1OCc1nccs1	161315068	FPJFNQXTHOPFJZ-UHFFFAOYSA-N	302.182	4.232	70	20	DIID	
COc1ccc(Cl)cc1N(C)C(=O)c1cccc(C)c1C	217194277	NPSADYZVZJREOI-UHFFFAOYSA-N	303.789	4.242	70	20	DIID	
O=C(C[C@H](c1ccccc1)C(F)(F)F)NCC1(C2CC2)CC1	159727384	WGNMDZSDMLTYOJ-CQSZACIVSA-N	311.347	4.029	70	20	DIID	
C[C@H]1C[C@@H]1c1ccc(CNc2cccc(C(=O)N3CCCC3)c2)o1	160074800	ZGFNSGCPXDPNHD-KSSFIOAISA-N	324.424	4.251	70	20	DIID	
O=C(Nc1cc(Cl)c(Cl)cc1Cl)[C@H]1CCCCO1	160206349	OCURNZIHPQVPTA-LLVKDONJSA-N	308.592	4.154	70	20	DIID	
COc1c(Cl)cc(Cl)cc1CN[C@H]1CCOC(C)(C)C1	160513899	RCCPTRCOIWTPMH-LBPRGKRZSA-N	318.244	4.049	70	20	DIID	
Cc1nc2ccccc2nc1N[C@H]1CCO[C@@H](c2ccccc2)C1	160625314	AIQXWVGHDLVLER-QFBILLFUSA-N	319.408	4.270	70	20	DIID	
COc1ccccc1SCc1nc(C2CCCCC2)no1	160813990	HJHYXNQYMXUSHW-UHFFFAOYSA-N	304.415	4.418	70	20	DIID	
C[C@H](c1ccccc1F)N1CCO[C@@H](c2cccc(F)c2)C1	216686607	HWQXURXQPJDIGG-FZKQIMNGSA-N	303.352	4.099	70	20	DIID	
C[C@H]1CCC[C@@H](OCCCCCC(=O)N(C)c2ccccn2)C1	159970501	NJSXDEUNWZOYIW-DLBZAZTESA-N	318.461	4.200	70	20	DIID	
CC[C@H](C)OCC(=O)Nc1ccccc1COc1ccccc1	160215709	UOCDTTRVQYSMPM-HNNXBMFYSA-N	313.397	4.019	70	20	DIID	
Fc1ccc(-c2csc(N[C@@H]3CCO[C@@H](C4CC4)C3)n2)cc1	160389112	HNBFUDRSQVWEFG-GDBMZVCRSA-N	318.417	4.319	70	20	DIID	
CCOc1cc(C)ccc1NC(=O)N1CC[C@@H]2CCCC[C@@H]21	160718830	UMTJKQYPDZGNIR-HOCLYGCPSA-N	302.418	4.190	70	20	DIID	
CC(C)(C)C1=CCN(C(=O)c2nc(Cl)ccc2Cl)CC1	160956860	FEURVQXLRQQXPQ-UHFFFAOYSA-N	313.228	4.207	70	20	DIID	
C[C@H](N[C@H](CCO)c1ccccc1)c1ccc(OC(F)F)cc1	161073588	ZADLFBSVTFYCCL-SUMWQHHRSA-N	321.367	4.062	70	20	DIID	
CCOc1ccccc1NC(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2	159400502	MSPUTUGRXNIYKK-CXTCDGGRSA-N	317.404	4.332	70	20	DIID	
Cc1cc(Cl)cc2c1N(C(=O)c1ccnn1C(C)C)CCC2	159887621	XLKQHELUUFDTTO-UHFFFAOYSA-N	317.820	4.019	70	20	DIID	
CCCn1nc(C)c(C(=O)Nc2ccc(C)c(Cl)c2)c1C	161153136	NRGQNIVGAQGSOE-UHFFFAOYSA-N	305.809	4.124	70	20	DIID	
CC(C)CCn1ccc(N[C@@H](C)c2ncc(C(C)(C)C)o2)n1	159860017	AMCXJJUWXYAVQP-ZDUSSCGKSA-N	304.438	4.388	70	20	DIID	
CCc1nc([C@@H](C)NC(=O)[C@H](CC)c2ccc(F)cc2)cs1	159958498	AXCQDXFYNMXMTF-BXUZGUMPSA-N	320.433	4.216	70	20	DIID	
C[C@H](C(=O)N[C@@H]1CCCc2sccc21)c1ccccc1F	160034145	FYJPQGGENHJLSB-XHDPSFHLSA-N	303.402	4.185	70	20	DIID	
Cc1ccc(OCCCNC(=O)Nc2ccc(Cl)cc2)cc1	217297831	SZVPHPRQXDZMKK-UHFFFAOYSA-N	318.804	4.239	70	20	DIID	
CSCC[C@@H](C)Nc1ncc(Cl)cc1Br	159633915	SQYZQBXEXJVOFF-SSDOTTSWSA-N	309.660	4.051	70	20	DIID	
Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1CCC[C@@H](C(C)(C)C)CC1	160282726	HKEUGYZROLJUIN-CZUORRHYSA-N	319.493	4.195	70	20	DIID	
O=C(CCCc1ccccc1)O[C@H](c1ccccn1)C(F)(F)F	160468224	XJZUULUBRCPJKB-MRXNPFEDSA-N	323.314	4.251	70	20	DIID	
Cc1ccc(-c2nnc([C@H](C)N(C)Cc3ccco3)o2)cc1C	160539992	XWAGLFXVTPPRCT-AWEZNQCLSA-N	311.385	4.139	70	20	DIID	
CCOC(=O)[C@H](Oc1ccc(F)cc1Cl)c1ccccc1	217814032	ZJMXRJWFCNDZMM-OAHLLOKOSA-N	308.736	4.162	70	20	DIID	
Cc1cccc(Oc2ccccc2NC(=O)[C@H]2CCCCO2)c1	159797850	ZTNGOUYADOUVNA-GOSISDBHSA-N	311.381	4.295	70	20	DIID	
CCN(C(=O)C[C@@H](C)c1ccncc1)[C@H](C)c1ccc(F)cc1	160115328	CNBQVUOGNKWITG-HUUCEWRRSA-N	314.404	4.324	70	20	DIID	
Cc1ccc(C(=O)CCN[C@H](c2ncccc2C)C(C)C)cc1	160569624	QAFPHNLHYXCMRG-IBGZPJMESA-N	310.441	4.258	70	20	DIID	
CCc1sc(C(=O)N[C@@H](C)CC(=O)c2cccs2)cc1C	160872623	VXUINJGVOJEYMG-NSHDSACASA-N	321.467	4.072	70	20	DIID	
Cc1cccc([C@@H]2CCCN2C(=O)C2CCC(C)(C)CC2)n1	161308864	OWZZHSJMKWAKHY-KRWDZBQOSA-N	300.446	4.270	70	20	DIID	
CCc1n[nH]c(-c2ccccc2NC(=O)CCCC(C)(C)C)n1	161329724	VUOKRZUWIHECFL-UHFFFAOYSA-N	314.433	4.189	70	20	DIID	
O=C(COc1c(F)c(F)cc(F)c1F)c1cccc(Cl)c1	217353984	ZIVIQLYTXUASHE-UHFFFAOYSA-N	318.653	4.158	70	20	DIID	
CC[C@@H]1CCCC[C@@H]1N(C)C(=O)c1coc(Br)c1	160802496	AVIWBPYCKXFBEX-PWSUYJOCSA-N	314.223	4.083	70	20	DIID	
COc1ccc(F)cc1[C@H](C)NCc1cc(F)cc(Cl)c1	160870748	GDOFKKLGYUFRTD-JTQLQIEISA-N	311.759	4.478	70	20	DIID	
C[C@@H](c1ccco1)N(Cc1noc(-c2ccsc2)n1)C1CC1	161122047	WFALCMDUEOZVMX-NSHDSACASA-N	315.398	4.117	70	20	DIID	
Cc1nccc(NC(=O)N(C2CC2)[C@@H](C)c2ccco2)c1Cl	159522884	AZVHJGUQGJRRDY-NSHDSACASA-N	319.792	4.394	70	20	DIID	
CCN(CC1CC1)C(=O)Nc1cccc(N2CCC(C)CC2)c1	159703519	KIHSYRWVZVHCGI-UHFFFAOYSA-N	315.461	4.187	70	20	DIID	
CC1(c2ccccc2)CCN(C(=O)Nc2ccccc2F)CC1	159826094	IBOACYMBAMTBRO-UHFFFAOYSA-N	312.388	4.411	70	20	DIID	
O=C(CC(F)(F)F)N1CCCC[C@@H]1CCCc1ccccc1	161363630	ALADGKJGGVIARO-OAHLLOKOSA-N	313.363	4.343	70	20	DIID	
CO[C@H](CNC(=O)c1ccc(Cl)cc1)c1ccccc1Cl	218313257	AHMWYWPQTVQUOP-OAHLLOKOSA-N	324.207	4.111	70	20	DIID	
CCCCn1ncc(NC(=O)N2CCC[C@@H]2[C@H](C)CCC)c1C	159633488	YEMAVXCXEXUKHJ-RHSMWYFYSA-N	320.481	4.424	70	20	DIID	
Cc1cc(C(=O)N2C[C@@H](C)CSc3ccccc32)oc1C	159682468	ISSHFUHVQUNXII-LLVKDONJSA-N	301.411	4.285	70	20	DIID	
CC[C@@H](NC(=O)C[C@H](C)c1ccccc1)c1c(C)noc1C	160578856	QKIVUSPAEFMHLE-BLLLJJGKSA-N	300.402	4.053	70	20	DIID	
C[C@@H](CC(=O)Nc1ccccc1OC(C)(C)C)c1ccncc1	160627055	FVACEBRHMVDQKK-AWEZNQCLSA-N	312.413	4.391	70	20	DIID	
CN(C)Cc1ccc(CN[C@H]2CC(C)(C)Cc3occc32)cc1	160864750	KHZDUDMNVRJFDX-SFHVURJKSA-N	312.457	4.145	70	20	DIID	
CCOc1ccccc1[C@@H](C)N[C@H](CCCO)c1ccccc1	160867393	PVEFWHFGBZGASP-VQIMIIECSA-N	313.441	4.250	70	20	DIID	
CC(=O)c1ccccc1OCCN1CCC[C@H]1c1ccccc1	218019345	LEMOUTMTWRISNC-IBGZPJMESA-N	309.409	4.105	70	20	DIID	
Cc1cc(F)c(C(=O)N2CCC[C@H]2c2cccs2)cc1F	159768661	CUZCILFNXREPQJ-AWEZNQCLSA-N	307.365	4.312	70	20	DIID	
CC[C@H](NC(=O)CCCc1ccc(C)s1)c1c(C)noc1C	160373152	MWQFTSVTPASHNM-HNNXBMFYSA-N	320.458	4.252	70	20	DIID	
C[C@H](c1ccccc1F)[S@](=O)c1ncc(C(C)(C)C)s1	160545521	PZZIHJJBFGKLGG-CFMSYZGJSA-N	311.447	4.449	70	20	DIID	
CC[C@@H](NCc1cn2ccccc2n1)c1cccc(Cl)c1F	161508163	QFBGGULLSDVTAD-OAHLLOKOSA-N	317.795	4.368	70	20	DIID	
CCc1onc(C)c1NC(=O)Nc1ccccc1OC(C)(C)C	160404288	PBVBRXNGYLWJSX-UHFFFAOYSA-N	317.389	4.367	70	20	DIID	
C[C@H]1Cc2ccc(F)cc2[C@H]1NC1CCN(C2CCCC2)CC1	160514952	WJBLILUIMZTVAA-XOBRGWDASA-N	316.464	4.056	70	20	DIID	
CC[C@@H](NC(=O)c1cc2ccccc2nc1C)c1c(C)noc1C	160552721	KXIRQWGOGDJCJQ-MRXNPFEDSA-N	323.396	4.029	70	20	DIID	
CC[C@H](NCc1ccc(CN(C)C)cc1)c1ccc(F)cc1F	160668230	MBDXQFVEJKPHFT-IBGZPJMESA-N	318.411	4.267	70	20	DIID	
COc1ccc(Cl)cc1NC(=O)NCCc1ccccc1C	217283304	CPMYRKGNBGRWLB-UHFFFAOYSA-N	318.804	4.021	70	20	DIID	
CCCCn1ncc(NC(=O)Nc2cc(F)cc(Cl)c2)c1C	159443167	CJYVAQHRWNPOQQ-UHFFFAOYSA-N	324.787	4.428	70	20	DIID	
CN(Cc1ncc(-c2ccccc2F)o1)C(C1CC1)C1CC1	159866822	CDFMHNQOQLVOHX-UHFFFAOYSA-N	300.377	4.101	70	20	DIID	
Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N[C@@H](C)CC(C)C	160337681	WYYISJUJTRRTPS-AWEZNQCLSA-N	319.449	4.146	70	20	DIID	
CC[C@@H](C)CN(CC)[C@@H](C)c1nc2sc(C)c(C)c2c(=O)[nH]1	160536245	UIMZUAZPPRZSIP-PWSUYJOCSA-N	321.490	4.030	70	20	DIID	
O=C(CC1CCCCCC1)N[C@H]1CCOC2(CCCCC2)C1	160645727	LQWLOYVVRUGKPH-KRWDZBQOSA-N	307.478	4.345	70	20	DIID	
Cc1nc(C(C)C)sc1[C@@H](C)N[C@@H]1CCC[C@H](N(C)C)C1	161027936	KNOYUVLQHJDDDB-YUELXQCFSA-N	309.523	4.098	70	20	DIID	
Fc1cccc([C@@H]2CN(Cc3ccc(Cl)cc3)CCO2)c1	216705896	HQZFASQUDVVHTF-KRWDZBQOSA-N	305.780	4.053	70	20	DIID	
CCc1cccc(NC(=O)Nc2ccc(Cn3cccn3)cc2)c1	217184393	AFSMOFHAEHXWDG-UHFFFAOYSA-N	320.396	4.138	70	20	DIID	
CCc1ccc([C@H](C)NC(=O)NCc2ccccc2Cl)cc1	217314090	PJRLFYVFSABEQM-ZDUSSCGKSA-N	316.832	4.463	70	20	DIID	
COc1cc(Cl)c(C)cc1NC(=O)NCC1CCCCC1	217605410	MPNOYZRPYOTQKY-UHFFFAOYSA-N	310.825	4.359	70	20	DIID	
CC[C@@H](NC(=O)[C@H](C)CC1CCCCC1)c1c(C)noc1C	160467231	KCUIDHMYCLZDAP-MLGOLLRUSA-N	306.450	4.465	70	20	DIID	
Cc1cc(F)c(C(=O)N[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1F	160803485	OCRZUGODDNATEN-GXFFZTMASA-N	321.289	4.124	70	20	DIID	
CC(C)(C)OC(=O)N1CCCc2cc(NCC3CC3)ccc21	217526376	FLYZQIGJXGBHCD-UHFFFAOYSA-N	302.418	4.196	70	20	DIID	
CC(C)C[C@H](N[C@H](CCCO)c1ccccc1)c1ccccn1	160691262	LQZPJEKLKJDGPZ-QUCCMNQESA-N	312.457	4.272	70	20	DIID	
CC[C@@H](C(=O)N[C@@H](C)CC(=O)c1cccs1)c1ccccc1	161015105	XVRJUBYXCXKVFX-DZGCQCFKSA-N	315.438	4.019	70	20	DIID	
CCC(CC)n1nccc1C(=O)N(CC)Cc1cccc(F)c1	161107833	OLXYUFDEQVYTGN-UHFFFAOYSA-N	317.408	4.046	70	20	DIID	
Clc1ccccc1-c1noc(CSCc2cscn2)n1	161335447	QHJVKOVEBOWLIH-UHFFFAOYSA-N	323.830	4.280	70	20	DIID	
CC1CCN(C2CCC(NC(=O)CCC3CCCC3)CC2)CC1	161473197	RTBVHHCEQOUUPP-UHFFFAOYSA-N	320.521	4.116	70	20	DIID	
Cc1ccc(C)c(C(=O)Nc2cc(C)nn2-c2ccc(F)cc2)c1	217340113	AHKXOVIDJMNAPZ-UHFFFAOYSA-N	323.371	4.189	70	20	DIID	
Cc1nc(Cl)ccc1C(=O)Nc1c(F)cccc1NC1CC1	159624679	NJVCCECGGZARAK-UHFFFAOYSA-N	319.767	4.009	70	20	DIID	
CC1=C(C(=O)Nc2cccc(C3SCCS3)c2)CCCO1	159740204	LXISLVBOIABCOF-UHFFFAOYSA-N	321.467	4.188	70	20	DIID	
O=C(N[C@@H]1CCCc2sccc21)[C@H]1C[C@H]1c1ccc(F)cc1	160176240	UEJPRZPONQCVOC-HRCADAONSA-N	315.413	4.185	70	20	DIID	
Cc1cccc(C)c1NC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1	161064827	WNGDGQQIRMJYNI-MSOLQXFVSA-N	324.424	4.345	70	20	DIID	
Cc1nn(C)cc1CNC(C)(C)c1ccc(Cl)c(Cl)c1	161327494	DNRITPNVRLBWBP-UHFFFAOYSA-N	312.244	4.060	70	20	DIID	
CC(C)c1ccc([C@@H](C)CC(=O)N(C)C[C@H]2CCCOC2)cc1	159448887	ATZHAZXJZMZKGG-DLBZAZTESA-N	317.473	4.189	70	20	DIID	
C[C@@H](Nc1ccccc1O[C@H]1CCOC1)c1c(F)cccc1F	159908824	DQCWAHNLKSREAY-OLZOCXBDSA-N	319.351	4.306	70	20	DIID	
CC1(C)C[C@H](N[C@H](c2ccccc2)c2ccc(F)cc2)CCO1	159942756	KBPKTYQLXXWXGX-RTBURBONSA-N	313.416	4.462	70	20	DIID	
CC[C@]1(C)C[C@H]1C(=O)N(C)[C@@H](C)c1nc2ccccc2s1	160119280	KJHKVKFUMCXEAS-NVGCLXPQSA-N	302.443	4.252	70	20	DIID	
CC(C)[C@H](C)NC(=O)Nc1ccc(COC2CCCC2)cc1	160563321	UCOJQPVCVPBPDH-AWEZNQCLSA-N	304.434	4.312	70	20	DIID	
Cc1ccccc1N(CC(=O)Nc1cc(F)ccc1F)C(C)C	216924836	IAINGBYYUAHOAD-UHFFFAOYSA-N	318.367	4.127	70	20	DIID	
CC(C)C[C@H](CO)NC(=O)Nc1ccc(C(C)C)cc1C(C)C	217229755	CSVNVAGMNJDIMM-MRXNPFEDSA-N	320.477	4.462	70	20	DIID	
COc1ccc(NC(=O)NCCC2CCCCC2)cc1Cl	217305057	GNALZSOJXAXUET-UHFFFAOYSA-N	310.825	4.441	70	20	DIID	
CC[C@@H](C)N(C)CCNCc1cc(-c2ccccc2)cs1	217393279	VPOJUHAMDCTSBK-OAHLLOKOSA-N	302.487	4.235	70	20	DIID	
CCn1c(C)nnc1SCCCSCc1ccccc1	160121673	ZWJUBBUZTFFMEQ-UHFFFAOYSA-N	307.488	4.022	70	20	DIID	
CCCn1nc(C)c(C(=O)N[C@@H](C)c2ccc(Cl)cc2)c1C	161416609	CPBDSJYCNVEGCM-NSHDSACASA-N	319.836	4.054	70	20	DIID	
CCC[C@H](C(=O)Nc1cc(-c2nnco2)ccc1C)C(C)C	159693257	CRKPLBAQHLZBBD-AWEZNQCLSA-N	301.390	4.056	70	20	DIID	
Cc1cccc([C@@H](NC(=O)c2ccccc2C)c2ccccn2)c1	159774996	WBJAXLUCDGUYLZ-HXUWFJFHSA-N	316.404	4.218	70	20	DIID	
COc1ccc(COCCCN[C@H](C)c2cccs2)cc1	161070664	YGHZJGKXCIKOKA-CQSZACIVSA-N	305.443	4.014	70	20	DIID	
Cc1ccccc1N(CC(=O)N[C@H](C)c1cccs1)C(C)C	216925134	CSLVCUOSTQIOMJ-OAHLLOKOSA-N	316.470	4.149	70	20	DIID	
Cc1nc2ccccn2c1CN[C@H](c1ccccc1)C1CCC1	159820598	FIHKSVKKRDCIKF-HXUWFJFHSA-N	305.425	4.274	70	20	DIID	
O=C(NCC1(C2CC2)CC1)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F	160058667	AHNBXTHRLLQXKJ-UONOGXRCSA-N	323.358	4.115	70	20	DIID	
COc1ccc(N(C)C(=O)CSc2ccccc2)cc1Cl	160265671	YAVCAWHAEDRKHK-UHFFFAOYSA-N	321.829	4.104	70	20	DIID	
Cc1[nH]c2ccccc2c1C(=O)Nc1cccc(OCCF)c1	160454594	MHFFVLZYDWXCQZ-UHFFFAOYSA-N	312.344	4.077	70	20	DIID	
Cc1cc(Cl)cc(C(=O)N[C@H]2CCOC3(CCCCC3)C2)c1	160947187	SSFIYVCESJJUFE-INIZCTEOSA-N	321.848	4.260	70	20	DIID	
CCN(C(=O)c1cncc(-c2cccc(C)c2)c1)c1ccncc1	161071669	OYBJRMZBOVZWPD-UHFFFAOYSA-N	317.392	4.119	70	20	DIID	
C[C@@H](c1ccc(Cl)cc1)N(C)C[C@@](C)(O)c1ccccc1	217824956	RYJKETWIXQZGDW-KBXCAEBGSA-N	303.833	4.241	70	20	DIID	
C[C@@H](C(=O)N[C@@H]1CCCc2sccc21)c1cccc(F)c1	159848237	DECIYYHDXROMAM-IAQYHMDHSA-N	303.402	4.185	70	20	DIID	
CCOc1ccc(C(=O)N(C)c2ccc(OC)c(Cl)c2)cc1	159983481	YSRSUQPAWSNRAT-UHFFFAOYSA-N	319.788	4.024	70	20	DIID	
O=C(/C=C/SCc1ccco1)N[C@@H]1CCCc2sccc21	160039344	PJQLRBQFAKPLRI-RCQQVGEISA-N	319.451	4.282	70	20	DIID	
COc1ccc(NC(=O)CCCCCc2cccs2)cc1N	161072177	BHQFPLRBUHHYMD-UHFFFAOYSA-N	318.442	4.081	70	20	DIID	
Cc1cccc(C)c1OCCCNC(=O)Nc1cccc(F)c1	217298308	OBXDBQWQDXRUDS-UHFFFAOYSA-N	316.376	4.033	70	20	DIID	
CCCCn1ncc(NC(=O)N(CCC(C)C)C2CC2)c1C	159730440	QSTVWTKGTPZNSG-UHFFFAOYSA-N	306.454	4.034	70	20	DIID	
CC(C)CCn1ccc(NC(=O)N2CCC[C@H]2C2CCCC2)n1	160212365	FBURHAOAXWHTQA-INIZCTEOSA-N	318.465	4.116	70	20	DIID	
Cc1nc(COC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)c(C)s1	160445451	DWMAZGAWBOWLCQ-WDEREUQCSA-N	321.364	4.172	70	20	DIID	
Cc1ccc(CN[C@@H](C)c2cccc(-c3ccncc3)c2)cn1	161328814	KKDHFBYCLXSNCW-INIZCTEOSA-N	303.409	4.303	70	20	DIID	
CC(C)(C)OC(=O)Nc1cccc(OCc2nccs2)c1	161376941	YKACDMIPOOWGMW-UHFFFAOYSA-N	306.387	4.069	70	20	DIID	
CN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CCSC1	159444118	HPYUWHTYAKCKAW-OAHLLOKOSA-N	312.438	4.323	70	20	DIID	
CCCCn1ncc(NC(=O)N2CCC[C@H](CC(C)C)C2)c1C	159922426	BCZMVQCFJQHIAL-MRXNPFEDSA-N	320.481	4.282	70	20	DIID	
FC(F)(F)c1cccc(Cn2nc(C3CC3)nc2C2CC2)c1	161456253	RTLOIPUOOCGBFE-UHFFFAOYSA-N	307.319	4.100	70	20	DIID	
Cc1ccc(-c2cc(Cn3nc(C4CC4)nc3C3CC3)on2)cc1	161487973	LGLNOKXHRYONEF-UHFFFAOYSA-N	320.396	4.045	70	20	DIID	
Cc1cc([C@H](C)NC(=O)NC[C@]2(C)CCCS2)c(C)s1	160333653	IZIWYZTXPQKCOQ-NHYWBVRUSA-N	312.504	4.011	70	20	DIID	
Cc1ccsc1CCCC(=O)N1CCC[C@@H]1c1ccncc1	160458609	BRGVZYZXPJGINC-MRXNPFEDSA-N	314.454	4.138	70	20	DIID	
COc1ccccc1[C@H](C)CC(=O)OCc1nc(C)sc1C	161136691	YGGGYSVSYIDXSD-LLVKDONJSA-N	319.426	4.006	70	20	DIID	
CCc1ncsc1NC(=O)[C@@H](C)Cc1ccccc1Cl	161028207	PJUBSNFDFZCTOF-JTQLQIEISA-N	308.834	4.176	70	20	DIID	
C[C@@H]1SCCN(Cc2ccnc(Cl)c2)[C@@H]1c1ccccc1	217233788	JTCWPKLBRPHNHN-GUYCJALGSA-N	318.873	4.414	70	20	DIID	
COc1ccc([C@H](C)NC(=O)Nc2c(F)cccc2Cl)cc1	217313091	WNRGWLGMBBFMJM-JTQLQIEISA-N	322.767	4.370	70	20	DIID	
CCc1ccc(C(=O)NC[C@H](OC)c2ccccc2Cl)cc1	218311912	JTSPUHBFHKAURX-KRWDZBQOSA-N	317.816	4.020	70	20	DIID	
Cc1nc2ccccc2nc1N[C@@H]1CCO[C@H](c2ccccc2)C1	160624950	AIQXWVGHDLVLER-APWZRJJASA-N	319.408	4.270	70	20	DIID	
Cc1cc(C)cc(CCC(=O)N2CCC[C@H]2c2cccc(C)n2)c1	159489106	DNMMCFSCCMBRGV-FQEVSTJZSA-N	322.452	4.303	70	20	DIID	
C[C@H](N[C@H](CCCO)c1ccccc1)c1ccc2c(c1)CCC2	160740313	AKZWBAOXAMFEGP-HRAATJIYSA-N	309.453	4.340	70	20	DIID	
COc1ccccc1[C@@H](NC(=O)NC1(C)CCC1)c1ccccc1	160994204	COUMOUKXIYEXCI-SFHVURJKSA-N	324.424	4.026	70	20	DIID	
C[C@H]1CCCC[C@H]1N(C)C(=O)c1cncc(-c2ccccc2)c1	161006233	HSGQMYJCGKBQME-HNAYVOBHSA-N	308.425	4.399	70	20	DIID	
CC(C)(Cc1ccccc1)C(=O)NCCc1cc2ccccc2[nH]1	161082523	RVSZVQQOZREFLH-UHFFFAOYSA-N	320.436	4.096	70	20	DIID	
Cc1ccc(F)cc1NC1CCC(NC(=O)OC(C)(C)C)CC1	218090421	VJUBZQXXXADLQR-UHFFFAOYSA-N	322.424	4.382	70	20	DIID	
CS[C@H](C)CC(=O)Nc1ccc(CN2CCCC[C@@H]2C)cc1	159916764	YLJFGQHHGAEUEK-LSDHHAIUSA-N	320.502	4.141	70	20	DIID	
CCc1noc(C)c1CSCC(=O)Nc1ccc(C)cc1C	160031271	UQKVICOCPWOGPM-UHFFFAOYSA-N	318.442	4.034	70	20	DIID	
CCc1ccccc1NC(=O)Cc1cccc(OC(F)(F)F)c1	160392753	BYBDVTVXHXHXBV-UHFFFAOYSA-N	323.314	4.329	70	20	DIID	
Cc1cc(C)c(NC(=O)NCCc2cccc(F)c2)c(Cl)c1	217446666	MZNPQYRLUGNBPF-UHFFFAOYSA-N	320.795	4.460	70	20	DIID	
CO[C@H](CNC(=O)CCC1CCCC1)c1ccccc1Cl	218311447	XORMWTZIGIJXGQ-MRXNPFEDSA-N	309.837	4.114	70	20	DIID	
COc1ccc(N(C)C(=O)C[C@H](C)c2ccccc2F)cc1F	159452056	INRYXZLJPXIIDM-LBPRGKRZSA-N	319.351	4.130	70	20	DIID	
C[C@@H]1CSc2ccccc2N(C(=O)c2ccnc(Cl)c2)C1	159546889	IGEZZMVXTGIWTE-NSHDSACASA-N	318.829	4.124	70	20	DIID	
C[C@@H](NC(=O)CCC(C)(C)C)c1nc(-c2ccncc2)cs1	159612999	QKXYKKGDQWBOGS-GFCCVEGCSA-N	317.458	4.209	70	20	DIID	
C[C@H](C(=O)N[C@@H]1CCCc2sccc21)c1c(F)cccc1F	159950161	FCZVXERVIJCDES-IINYFYTJSA-N	321.392	4.324	70	20	DIID	
CCCc1nc(CN2CCC[C@H]2c2cccc(C)n2)cs1	160004680	NXCYRXBYWAGBHS-INIZCTEOSA-N	301.459	4.136	70	20	DIID	
CC(C)[C@@H](c1ccccc1)N(C)C(=O)C[C@@H](C)c1ccncc1	160575199	CDUDMMPRQBEZIN-UZLBHIALSA-N	310.441	4.431	70	20	DIID	
Clc1oc2ccccc2c1CNC[C@@H]1CSCCS1	161023280	FDAMUUJMJHVXGI-SNVBAGLBSA-N	313.875	4.024	70	20	DIID	
CCOc1ccccc1N(C)Cc1nc(C(F)(F)F)cs1	159424317	BODGYZRLIGWXFI-UHFFFAOYSA-N	316.348	4.197	70	20	DIID	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1F	159555215	RLICEAOLIBGHDN-GDLCADMTSA-N	321.392	4.316	70	20	DIID	
CC1(C)CCCC[C@H]1CC(=O)N(Cc1ccncc1)C1CC1	160522717	CGUHDKWEYWVDBH-INIZCTEOSA-N	300.446	4.179	70	20	DIID	
O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1cc2ccccc2o1	160597377	FEHVHUTVJKKDBR-OAHLLOKOSA-N	313.397	4.045	70	20	DIID	
Cc1csc(CCCCN[C@@H](C)c2ccc(F)cc2F)n1	160657259	SDBGGLOJRGIHQU-LBPRGKRZSA-N	310.413	4.403	70	20	DIID	
Cc1ccc(NC(=O)Nc2cccc(CC(F)(F)F)c2)cn1	161322630	ZNDFUXWWEBGXME-UHFFFAOYSA-N	309.291	4.139	70	20	DIID	
Cc1cccc([C@H](C)C(=O)Nc2cc(F)ccc2OC(F)F)c1	159414482	QVCAESGRWVGJSI-NSHDSACASA-N	323.314	4.478	70	20	DIID	
Cc1c(Cl)ccc2c1N(C(=O)c1ccnn1C(C)C)CCC2	160004598	MFXIJLFFICPEHQ-UHFFFAOYSA-N	317.820	4.019	70	20	DIID	
CCCCn1ncc(NC(=O)N2CCCC(C)(C)CC2)c1C	160034023	UISMPSUFNSPQOT-UHFFFAOYSA-N	306.454	4.036	70	20	DIID	
C[C@@H](NCC1(Sc2ccccc2)CCCC1)[C@@H]1CCOC1	160351094	LARFTHACSUTMIA-HZPDHXFCSA-N	305.487	4.106	70	20	DIID	
Cc1n[nH]c(C)c1[C@H](C)CC(=O)NCC1CCC(C(C)C)CC1	160646416	NCDRCGQWBXNXGU-NVPAJSRCSA-N	319.493	4.099	70	20	DIID	
C[C@H]1CC[C@@H](NCc2ccc(CN(C)C)cc2)c2ccccc21	160882362	JIEZIVQQPLOHNK-HRAATJIYSA-N	308.469	4.476	70	20	DIID	
COCc1ccc([C@@H]2CCCN2C(=O)[C@@H](C)CC2CCCC2)o1	161304156	HZQABEDBFUMKCK-YOEHRIQHSA-N	319.445	4.306	70	20	DIID	
Cc1ccc(-c2n[nH]c(NC(=O)[C@H]3CCC[C@H](C)C3)c2C)o1	161436048	BGHOODDFXFKPPP-GWCFXTLKSA-N	301.390	4.051	70	20	DIID	
C[C@H](Nc1ccccc1O[C@H]1CCOC1)c1ccc(F)cc1	159899489	LOYKCVAHQFVMEF-BBRMVZONSA-N	301.361	4.167	70	20	DIID	
CCCn1nccc1CNc1ccc(OC(F)F)c(Cl)c1	159973778	JHJFDGKZOCBVBC-UHFFFAOYSA-N	315.751	4.160	70	20	DIID	
CCCCn1ncc(NC(=O)N2CCC3(CCCC3)CC2)c1C	160089890	NKEQSCRMTQUZOD-UHFFFAOYSA-N	318.465	4.180	70	20	DIID	
CCc1ccc(C(=O)N(C)c2ccc(OC)c(Cl)c2)cc1	160104847	ZUBDYHQKTSIEBY-UHFFFAOYSA-N	303.789	4.188	70	20	DIID	
Cc1ccc([C@@H](C)NCCCc2nc3c(s2)CCCC3)o1	160628664	XWLAJKWSOOKJQJ-CYBMUJFWSA-N	304.459	4.207	70	20	DIID	
CC(C)COCCN[C@H](C)c1nc(-c2ccccc2)cs1	160715445	LPDMHASVXGOBBC-CQSZACIVSA-N	304.459	4.133	70	20	DIID	
CC(C)OCc1cccc(NC(=O)N2CC[C@@H]3CCCC[C@@H]32)c1	160768826	MEGQNMUHTVJDFH-WMZOPIPTSA-N	316.445	4.408	70	20	DIID	
Cc1nn(C)c(Cl)c1CNC(C)(C)c1ccc(Cl)cc1	159600954	ATMJGCCZONGWCE-UHFFFAOYSA-N	312.244	4.060	70	20	DIID	
CS[C@H](C)CC(=O)Nc1cccc(COCc2ccco2)c1	160198514	MOQCWUFMWYRFRK-CYBMUJFWSA-N	319.426	4.077	70	20	DIID	
CC(C)[C@@H](C)NC(=O)Nc1ccc(COC2CCCC2)cc1	160563190	UCOJQPVCVPBPDH-CQSZACIVSA-N	304.434	4.312	70	20	DIID	
CC[C@H](NCc1ccccc1COC)c1ccc(F)cc1F	160724087	JCHVGIDTEUZTAN-SFHVURJKSA-N	305.368	4.352	70	20	DIID	
Cc1nc(CC(C)C)c(NC(=O)c2cc(C(C)C)on2)s1	160987572	YAHLXFWSHYUTKW-UHFFFAOYSA-N	307.419	4.014	70	20	DIID	
C[C@H](N[C@@H]1CCCSC1)[C@H](C)c1nc2ccccc2s1	159585037	KYLATXXCVNAZID-RWMBFGLXSA-N	306.500	4.274	70	20	DIID	
FC(F)(F)c1ccc(NCc2ccc3ncccc3c2)cn1	160072559	GFYVOCILAZKMJC-UHFFFAOYSA-N	303.287	4.261	70	20	DIID	
CC(C)n1nccc1C(=O)Nc1cccc(-c2cccs2)c1	160081888	ZTARLPXCIGIPDA-UHFFFAOYSA-N	311.410	4.445	70	20	DIID	
Cc1nccc(C(=O)N2CCCC[C@@H]2c2ccc(C(C)C)cc2)n1	160389271	NSTJDLAVSPAYSH-LJQANCHMSA-N	323.440	4.276	70	20	DIID	
CCc1cccc(NC(=O)CN[C@H](C)c2cc3ccccc3o2)c1	216687995	UNVJJJQMLREULU-CQSZACIVSA-N	322.408	4.285	70	20	DIID	
C[C@@H](C(=O)N(CC(F)(F)F)C1CCC1)c1c(F)cccc1F	160197560	NOVHIWHOIDOHIN-SECBINFHSA-N	321.289	4.012	70	20	DIID	
FC(F)(F)c1cccc(N[C@@H]2CCO[C@@H](c3ccccc3)C2)n1	160544426	XFPVNMKZAWRRNV-ZIAGYGMSSA-N	322.330	4.433	70	20	DIID	
O=C(Nc1ccccc1Br)N1CC[C@@H]2CCCC[C@@H]21	160571427	YCDUDSSYVRUUCW-FZMZJTMJSA-N	323.234	4.246	70	20	DIID	
CC[C@@H](N[C@H](CN1CCCC1=O)c1ccccc1)c1ccccc1	160681163	PRACTZAJUGJVAS-WOJBJXKFSA-N	322.452	4.091	70	20	DIID	
c1ccc(-c2nnc(CN[C@H]3CCCc4ccccc43)s2)cc1	160735023	AITYTZMTBWMEFV-KRWDZBQOSA-N	321.449	4.372	70	20	DIID	
CC[C@H](C(=O)N[C@H]1CCOC2(CCCCC2)C1)c1ccccc1	160855553	CXWIWGLNPNEMER-ROUUACIJSA-N	315.457	4.178	70	20	DIID	
Cc1cccc(CCC(=O)Nc2[nH]nc(-c3ccc(C)o3)c2C)c1	161397614	AAFDAOMLKKUUDC-UHFFFAOYSA-N	323.396	4.166	70	20	DIID	
O=C(Nc1c(F)cccc1Cl)N1CCc2ccccc2C1	217313204	MAQWPQRDYPKNLG-UHFFFAOYSA-N	304.752	4.069	70	20	DIID	
CC(C)c1ccsc1C(=O)N[C@@H]1CCOC2(CCCCC2)C1	160736321	HASGFCSLIIDUAC-CQSZACIVSA-N	321.486	4.483	70	20	DIID	
Fc1cc(Cl)cc(CNCCc2c[nH]c3ccccc23)c1	160812599	IJROQQUHNGVJIZ-UHFFFAOYSA-N	302.780	4.293	70	20	DIID	
CS[C@@H](C)CC(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1	160817962	IKYDBYFXINQREG-VIFPVBQESA-N	324.446	4.338	70	20	DIID	
C[C@H]1CN(C(=O)C2CCC(C)(C)CC2)C[C@H](c2ccsc2)O1	161209475	OJOUHCCVSVSVSS-XJKSGUPXSA-N	321.486	4.253	70	20	DIID	
Clc1nc(N[C@@H]2CCO[C@H](C3CC3)C2)cc2ccccc12	160448231	FAUZOMIMJDAZKY-HIFRSBDPSA-N	302.805	4.258	70	20	DIID	
C[C@@H]1CCc2nc(CN[C@@H]3CCCc4sccc43)sc2C1	160993181	ARBJAMRRGRKMQM-DGCLKSJQSA-N	318.511	4.497	70	20	DIID	
C[C@@H](CC(=O)N(C)[C@H](C)c1ccccc1Cl)c1ccncc1	159520694	HMCMCTSZSNKCHR-UONOGXRCSA-N	316.832	4.448	70	20	DIID	
O=C(Nc1cccc(NCc2coc3ccccc23)c1)C1CC1	159794848	YCIPBODAJPAVQD-UHFFFAOYSA-N	306.365	4.393	70	20	DIID	
CCCCn1ncc(C(=O)Nc2ccccc2OCCC)c1C	159888583	MZORWFXAROOMQX-UHFFFAOYSA-N	315.417	4.033	70	20	DIID	
CN(CCc1nccs1)C(=O)Nc1ccccc1C(C)(C)C	159956184	KYWABSQKGVKUID-UHFFFAOYSA-N	317.458	4.147	70	20	DIID	
CC[C@@H](NC(=O)C[C@@H](C)C1CCCCC1)c1c(C)noc1C	160502765	JDDWIZNEOLWCCI-MLGOLLRUSA-N	306.450	4.465	70	20	DIID	
C[C@H](CC(=O)Nc1ccccc1OC(C)(C)C)c1ccncc1	160627176	FVACEBRHMVDQKK-CQSZACIVSA-N	312.413	4.391	70	20	DIID	
COCCC1(C(=O)Nc2ccc(NC3CCCCC3)cc2)CC1	161180824	PZMGVCVFPXOSFZ-UHFFFAOYSA-N	316.445	4.186	70	20	DIID	
C[C@@H]1CC[C@@H](C)N1C(=O)COc1ccccc1-c1ccccc1	161404523	PBLDVFSWCPMCGP-HZPDHXFCSA-N	309.409	4.132	70	20	DIID	
C[C@@]12CC3CC(C(=O)NC(C4CC4)C4CC4)(C1)C[C@](C)(C3)C2	218247806	CPQXATRWISTNKZ-GOSFSIBNSA-N	301.474	4.288	70	20	DIID	
COc1ccc(N(C)C(=O)c2cc(C)ccc2C)cc1Cl	159927606	UGTCQOPRZGGGNP-UHFFFAOYSA-N	303.789	4.242	70	20	DIID	
CC(C)Oc1ccc(NC(=O)C[C@H](C)c2ccncc2)c(F)c1	160289392	KZHCHWHBBVYMCX-ZDUSSCGKSA-N	316.376	4.140	70	20	DIID	
CC(C)c1ccc(C(=O)N2CCC[C@H]2Cc2ccccc2)cn1	160604211	LYUNJCYQRNAHRD-SFHVURJKSA-N	308.425	4.052	70	20	DIID	
CC[C@H](N[C@H](CCCO)c1ccccc1)c1ccccc1OC	160873673	HRAOCSVYAKZBEL-RBUKOAKNSA-N	313.441	4.250	70	20	DIID	
CC[C@H](N[C@H](C)c1nc(C2CC2)no1)c1ccc(F)cc1F	161021952	XZTZOQQNNVJANW-OTYXRUKQSA-N	307.344	4.027	70	20	DIID	
CCCCC[C@H](C)NC(=O)CN[C@@H](C)c1cc2ccccc2o1	216699132	CIDHCMQWOPTMOA-GJZGRUSLSA-N	316.445	4.168	70	20	DIID	
Cc1cccc(NC(=O)c2cncc(-c3ccc(Cl)cc3)c2)n1	159880853	HLIYORFKHGNPRR-UHFFFAOYSA-N	323.783	4.358	70	20	DIID	
O=C(Nc1ccc2nc(Cc3ccccc3)oc2c1)c1ccco1	160476973	KODAMLJETOWRMP-UHFFFAOYSA-N	318.332	4.264	70	20	DIID	
Cc1cccc2ncnc(N[C@@H]3CCO[C@@H](c4ccccc4)C3)c12	160570473	IIJCGSGQWQDYQG-SJLPKXTDSA-N	319.408	4.270	70	20	DIID	
C[C@@H](Cc1ccccc1Cl)C(=O)N[C@H](C)c1cccc(O)c1	160710858	KIDYOIAXOILYLU-QWHCGFSZSA-N	317.816	4.102	70	20	DIID	
Cc1cc(NC(=O)C[C@@H](C)c2ccncc2)c2cccnc2c1C	160893243	YXPAYSIGZNQLAG-CQSZACIVSA-N	319.408	4.379	70	20	DIID	
O=C(CCC1CCCC1)CSc1nnc(-c2cccs2)o1	159952314	WLWJJIXTRZBIOV-UHFFFAOYSA-N	322.455	4.430	70	20	DIID	
CC(C)(C)c1ccc(NC(=O)N[C@H]2CCO[C@@H](C3CC3)C2)cc1	160965684	PHONMEBKYCIQHH-DLBZAZTESA-N	316.445	4.063	70	20	DIID	
Cc1cccc(C)c1OCCCNC(=O)Nc1ccccc1F	217298193	VKYWFKHLWIFZGW-UHFFFAOYSA-N	316.376	4.033	70	20	DIID	
Cc1nc2c(s1)[C@@H](N(C)c1nc(C(C)(C)C)ns1)CCC2	159435083	YLJOHFPWEITMDT-NSHDSACASA-N	322.503	4.114	70	20	DIID	
Cc1ccc(F)c(NC(=O)c2cc(Cl)c(N)c(Cl)c2)c1	159601076	PSECIMBZKFGASM-UHFFFAOYSA-N	313.159	4.275	70	20	DIID	
CCOc1ccccc1C(=O)N(C)c1ccc(OC)c(Cl)c1	160204150	UNFXMJHRMTTYMZ-UHFFFAOYSA-N	319.788	4.024	70	20	DIID	
CC[C@@H](CN[C@@H](C)c1cncs1)Oc1ccccc1Cl	160439142	GDJGNJWKVKBBSN-RYUDHWBXSA-N	310.850	4.305	70	20	DIID	
CC(C)[C@H](N[C@@H](C)c1ccco1)c1ccc2c(c1)OCCO2	161035806	UYHKYLPRWTXGTI-UGSOOPFHSA-N	301.386	4.099	70	20	DIID	
COc1ccc([C@@H](C)NCCCOc2ccc(F)cc2)cc1F	216769812	FYEYULHLMMVRJV-CYBMUJFWSA-N	321.367	4.093	70	20	DIID	
C[C@H]1Cc2ccccc2N1C(=O)c1cc2ccccc2cc1O	218276171	DOOWJTSDTNUIHA-ZDUSSCGKSA-N	303.361	4.137	70	20	DIID	
C[C@H](NC[C@H](O)Cc1ccccc1)c1cccc2ccccc12	218711555	RQPSZYPWTRLSLC-QFBILLFUSA-N	305.421	4.094	70	20	DIID	
CC(=O)c1c(C)[nH]c(C(=O)N[C@H]2CC[C@@H](C)c3ccccc32)c1C	159763618	DOHDRIJWYZQAQM-DIFFPNOSSA-N	324.424	4.203	70	20	DIID	
C[C@@H]1CCCN(C(=O)CCc2cncc(F)c2)c2ccccc21	159783812	DVEHRPZQMBBBJW-CQSZACIVSA-N	312.388	4.084	70	20	DIID	
CC(C)COc1ccc([C@H](C)N[C@@H]2CCOC(C)(C)C2)cc1	159949770	NIEMWEIIJVFSMY-DOTOQJQBSA-N	305.462	4.330	70	20	DIID	
COc1ccccc1[C@H]1CCCN1Cc1sc(C)nc1C	160423567	MIGQXCWPIJSWTE-OAHLLOKOSA-N	302.443	4.106	70	20	DIID	
CCCNC(=O)c1cccc(CN[C@@H](C)c2ccc(CC)cc2)c1	160568584	LQQMGVFVYONNGV-INIZCTEOSA-N	324.468	4.240	70	20	DIID	
CCOCCC1(C(=O)N[C@@H](C)c2ccccc2Cl)CCC1	160589998	QIOWQIKQBUYAIG-ZDUSSCGKSA-N	309.837	4.114	70	20	DIID	
CC[C@H](Cc1ccccc1)N(C)C(=O)C[C@@H](C)c1ccncc1	160843233	RKEZBYJMDUSPSC-VQIMIIECSA-N	310.441	4.055	70	20	DIID	
Cc1cc(Cl)cc(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)c1	160947046	SSFIYVCESJJUFE-MRXNPFEDSA-N	321.848	4.260	70	20	DIID	
CC[C@H](N[C@H]1CCCSC1)c1ccc(OC(F)F)cc1	159629133	KXQLICXURWOMCL-JSGCOSHPSA-N	301.402	4.224	70	20	DIID	
C[C@@H](C(=O)N[C@H]1CCCc2sccc21)c1cccc(F)c1	159848504	DECIYYHDXROMAM-ABAIWWIYSA-N	303.402	4.185	70	20	DIID	
COc1ccc2oc([C@@H](C)NC(=O)NC3(C)CCC3)c(C)c2c1	160908181	NGYAAUNWQRYCPH-GFCCVEGCSA-N	316.401	4.053	70	20	DIID	
CC(=O)Nc1ccc(C(=O)OCc2oc3ccccc3c2C)cc1	217202715	LAEKVNWIBCPSLY-UHFFFAOYSA-N	323.348	4.057	70	20	DIID	
CC[C@H](NC(=O)Nc1c(C)cccc1C(C)C)[C@H]1CCCO1	159421573	NPPDGZHBMSBEAU-JKSUJKDBSA-N	304.434	4.198	70	20	DIID	
COc1cccc2cc([C@H](C)N[C@@H]3CCOC(C)(C)C3)oc12	159953420	UFDLPYGRNDBWDZ-GXTWGEPZSA-N	303.402	4.050	70	20	DIID	
CCN(CC(C)C)C(=O)c1ccccc1C(=O)c1ccccc1	160052619	YEVIUKQIKCWNGI-UHFFFAOYSA-N	309.409	4.036	70	20	DIID	
C[C@@H]1CC(=O)CC[C@@H]1C(=O)N[C@@H](CC1CCCCC1)C(C)(C)C	160101445	FTWDIITUSIEVFI-JLSDUUJJSA-N	321.505	4.493	70	20	DIID	
O=C(CC1CCCCC1)O[C@@H](c1ccccn1)C(F)(F)F	160204209	ABTMQMWNSQBKOV-AWEZNQCLSA-N	301.308	4.199	70	20	DIID	
CC(C)c1ccc([C@@H](C)CC(=O)N(C)Cc2cccn2C)cc1	160729475	VWLYNLLJTDDDCW-INIZCTEOSA-N	312.457	4.301	70	20	DIID	
O=C([C@@H]1CC[C@H]2CCCC[C@@H]2C1)N1CCc2sccc2C1	161279135	IPHZDSKZLPDIPE-RBSFLKMASA-N	303.471	4.239	70	20	DIID	
Cc1ccc(CNC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1	217315130	MRJMVYAANCHAHB-MRXNPFEDSA-N	322.452	4.434	70	20	DIID	
O=C(NCC1(C2CC2)CC1)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1	159681678	VERLUUZXXZLVMR-LSDHHAIUSA-N	323.358	4.115	70	20	DIID	
CC(C)[C@H](C)N(CC(F)(F)F)C(=O)C[C@@H](C)c1ccncc1	160457125	BKQSPRCJMWGUOO-OLZOCXBDSA-N	316.367	4.011	70	20	DIID	
CC[C@H](N[C@@H](C)c1nc(C(C)(C)C)no1)c1ccc(F)cc1F	161028431	IISIUEUYPNGYDX-HZMBPMFUSA-N	323.387	4.447	70	20	DIID	
Cc1c(COC(=O)[C@@H]2CCOc3ccccc32)oc2ccccc12	217202465	JWSSNHIXFGIRSC-MRXNPFEDSA-N	322.360	4.351	70	20	DIID	
CCc1noc(C)c1CNc1ccc(C)c(Br)c1	159367967	GGBXIEQDXUDGFC-UHFFFAOYSA-N	309.207	4.228	70	20	DIID	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1cccc2cccnc12	159553360	PTGUFMSIXWFVFI-KGLIPLIRSA-N	308.406	4.347	70	20	DIID	
Cc1cc(C(=O)N2C[C@H](C)CSc3ccccc32)oc1C	159682328	ISSHFUHVQUNXII-NSHDSACASA-N	301.411	4.285	70	20	DIID	
CC[C@@H](CC1CCCC1)C(=O)N[C@@H](CC)c1c(C)noc1C	160033304	FUXQBVDIXYEIOL-HOTGVXAUSA-N	306.450	4.465	70	20	DIID	
CC[C@@H](NCc1ccc(OC(C)C)nc1)c1ccccc1OC	160097100	FPLZEQFNGPSXSI-QGZVFWFLSA-N	314.429	4.118	70	20	DIID	
Cc1ccccc1OCCCSCCc1c(C)noc1C	160136242	KAJFOADUWJDCMS-UHFFFAOYSA-N	305.443	4.345	70	20	DIID	
COc1ccc(Cl)cc1NCc1noc(C2CCCCC2)n1	161054902	UKKPZEWAPFSJKI-UHFFFAOYSA-N	321.808	4.391	70	20	DIID	
Cc1cc(-c2noc(CSCc3cscn3)n2)ccc1F	161279488	HKTNLOFFSFMKJI-UHFFFAOYSA-N	321.402	4.074	70	20	DIID	
C[C@@H]1CSc2ccccc2N(C(=O)c2ccccc2F)C1	159557750	GQXLGPHDNWVSAC-LBPRGKRZSA-N	301.386	4.214	70	20	DIID	
CC(C)(C)N(Cc1ccccc1)C(=O)CSc1ccncc1	160013719	MOMLJITVPGXVQL-UHFFFAOYSA-N	314.454	4.001	70	20	DIID	
CS[C@@H](C)CC(=O)N[C@@H](C)CCc1ccc(OC(C)C)cc1	160435731	DFQUKZBKITWIBC-GJZGRUSLSA-N	323.502	4.053	70	20	DIID	
CC(C)c1ccc(C(=O)N(C)[C@H](C)c2ccccc2F)cn1	160984995	GHTNKJVBAFWBJM-CYBMUJFWSA-N	300.377	4.177	70	20	DIID	
CC[C@H]1CCCC[C@H]1N(C)C(=O)c1cc(C(C)C)nn1CC	161182729	OCULMHBINFETRG-GOEBONIOSA-N	305.466	4.067	70	20	DIID	
CCc1ccc(CNCc2csc(-c3ccccn3)n2)s1	218219786	MZWMEQZFLRPCLD-UHFFFAOYSA-N	315.467	4.119	70	20	DIID	
CCCc1ccc(N[C@H](C)C(=O)NCc2ccccc2C)cc1	218724323	YEVJXOCVEQWWTO-MRXNPFEDSA-N	310.441	4.064	70	20	DIID	
CCC(CC)CC(=O)N[C@H](c1cccc(C)c1)c1ccccn1	159831719	WNVWSXIBABYENH-HXUWFJFHSA-N	310.441	4.422	70	20	DIID	
CC(C)c1ccc(C(=O)N2CCC[C@@H]2c2cccs2)cn1	160012954	VGDCZNQBSAOXTG-OAHLLOKOSA-N	300.427	4.244	70	20	DIID	
Cc1ccc(C(C)(C)CN(C)C(=O)C[C@@H](C)c2ccncc2)cc1	160871273	SMTIDOOKYVLUCE-QGZVFWFLSA-N	324.468	4.320	70	20	DIID	
COc1c(F)cc(NCc2noc(C3CCCCC3)n2)cc1F	161293270	YZBIBTJHTQBPBF-UHFFFAOYSA-N	323.343	4.016	70	20	DIID	
CC[C@H](C(=O)NC1CCC(OC(C)C)CC1)c1ccc(F)cc1	161340004	QPZHAINBENKJHE-ABHNRTSZSA-N	321.436	4.172	70	20	DIID	
Cc1cnccc1NC(=O)C1(c2cccs2)CCCCC1	159389126	YHMGQASFUBMTIH-UHFFFAOYSA-N	300.427	4.292	70	20	DIID	
CCc1ccc([C@@H](C)NC(=O)[C@@H](C)Sc2ccncc2)cc1	159961071	PJWXZOGXVXPVRC-ZIAGYGMSSA-N	314.454	4.002	70	20	DIID	
Cc1cscc1NC(=O)Nc1ccc(NC(=O)C2CC2)cc1	160044256	FMBKDOMXOYQOTM-UHFFFAOYSA-N	315.398	4.049	70	20	DIID	
COc1ccc(N(C)C(=O)c2coc3ccccc23)cc1Cl	160136903	PNODKUPJNRHTIJ-UHFFFAOYSA-N	315.756	4.371	70	20	DIID	
Cc1ccc(-c2nc(CN[C@H]3CCOC(C)(C)C3)cs2)cc1	160484940	VYJJXFRBNCLTCR-HNNXBMFYSA-N	316.470	4.166	70	20	DIID	
COCc1ccc([C@H]2CCCN2C(=O)CCC2CCCCC2)o1	161285130	MFDIYIJOVBVYQY-QGZVFWFLSA-N	319.445	4.450	70	20	DIID	
CCC[C@H](C)[C@H]1CCCN1C(=O)c1csc([C@@H]2CCCO2)n1	160083356	UGSKMRLNHYEBAV-CFVMTHIKSA-N	322.474	4.035	70	20	DIID	
Cc1ccc(NC(=O)N(C)[C@H](C)Cc2ccc(Cl)cc2)cn1	161446460	NEYFCUSMVSQFTB-CYBMUJFWSA-N	317.820	4.138	70	20	DIID	
C/C(=C/c1cccc(Cl)c1)c1nc2sccc2c(=O)[nH]1	161458873	UEJVDZJRTISTMY-CLFYSBASSA-N	302.786	4.199	70	20	DIID	
Cc1cccc(NC(=O)N[C@@H](C[C@H]2CCOC2)c2ccccc2)c1	159718270	KNWVCFGVRIIFDO-APWZRJJASA-N	324.424	4.284	70	20	DIID	
CC(C)CC[C@H]1CCCN1C(=O)c1csc([C@H]2CCCO2)n1	160079037	JIXNVBDFXDEILN-UKRRQHHQSA-N	322.474	4.035	70	20	DIID	
CCN(C(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2)c1nc(C)cs1	160522962	OHOKCZTXVRGUIF-QJRTVWDNSA-N	322.449	4.113	70	20	DIID	
CC[C@H](NC(=O)C[C@@H](C)c1cccc(F)c1)c1c(C)noc1C	160609871	BQWWKFWQAMPNNS-BZNIZROVSA-N	318.392	4.192	70	20	DIID	
Cc1ccc(-c2n[nH]c(NC(=O)C[C@H](C)c3ccccc3)c2C)o1	161366101	FAMXJLSFTVFZDD-LBPRGKRZSA-N	323.396	4.419	70	20	DIID	
C[C@H]1CC[C@H](C)N1C(=O)c1cc(Br)ccc1Cl	161399376	WGNKQZBOPHBZAL-IUCAKERBSA-N	316.626	4.116	70	20	DIID	
Cc1ccc(C(=O)Nc2cc(F)ccc2OC(F)F)cc1F	159451407	CCFGWJYSJMUMIN-UHFFFAOYSA-N	313.250	4.127	70	20	DIID	
CCS(=O)(=O)c1ccc([C@H](C)N[C@H](C)C2CCCCC2)cc1	159651295	QZWPMRUPEBNQAB-CABCVRRESA-N	323.502	4.100	70	20	DIID	
CCc1noc(C)c1CSCC(=O)Nc1ccccc1Cl	159978222	NOAVUGNOPGFRSN-UHFFFAOYSA-N	324.833	4.071	70	20	DIID	
Cc1ccc(C(=O)NC2CC2)cc1NCc1ccc([C@@H]2C[C@@H]2C)o1	160248731	ADFBHXQECLIYRJ-SUMWQHHRSA-N	324.424	4.216	70	20	DIID	
Cc1cc(NC(=O)CCCCCO[C@@H]2CCC[C@H](C)C2)no1	160483404	SSAFQBIJYROAHG-DZGCQCFKSA-N	308.422	4.077	70	20	DIID	
Cc1ccccc1[C@H](C)CC(=O)N[C@@H]1CCOC2(CCCC2)C1	160013917	HSIZWJWCVVOCBM-IAGOWNOFSA-N	315.457	4.097	70	20	DIID	
CCC[C@H](Cc1ccccc1)NC(=O)C[C@H](C)c1ccncc1	160398054	ZRKQERSLKMCMCA-QFBILLFUSA-N	310.441	4.103	70	20	DIID	
CCc1nc(CN[C@H](CC(C)(C)C)c2ccc(Cl)cc2)n[nH]1	160458239	XUSLFDGOXJBWPE-CQSZACIVSA-N	320.868	4.288	70	20	DIID	
CC[C@@H](NC(=O)c1ccc2c(c1)CCCC2)c1c(C)noc1C	160680876	ZMCHIOBZXDNKOL-QGZVFWFLSA-N	312.413	4.051	70	20	DIID	
CCc1noc(C)c1CNc1cccc(Br)c1C	159433029	LMICXPQUDLKBDD-UHFFFAOYSA-N	309.207	4.228	70	20	DIID	
CCC(C)(CC)C(=O)Nc1ccc(Oc2nccc(C)n2)cc1	159445001	NXUAKWZQTIZQHB-UHFFFAOYSA-N	313.401	4.342	70	20	DIID	
CCN(Cc1cccs1)C(=O)Nc1ccnc(C)c1Cl	159568461	CIWACJCNAOHJHD-UHFFFAOYSA-N	309.822	4.159	70	20	DIID	
C[C@@H](NCC1(Sc2ccccc2)CCCC1)c1cnccn1	160352675	QBLFKTWPBRXMDP-OAHLLOKOSA-N	313.470	4.232	70	20	DIID	
C[C@H](CC(=O)NC(C)(C)CCc1ccccc1)c1ccncc1	160382984	WOBLXBNJCKUIPX-MRXNPFEDSA-N	310.441	4.103	70	20	DIID	
CCc1cccc(NC(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)c1	161048542	GMNYUXSUCDWCOJ-MOPGFXCFSA-N	324.424	4.291	70	20	DIID	
C[C@@H](Nc1ccccc1O[C@@H]1CCOC1)c1ccc(F)cc1	159899379	LOYKCVAHQFVMEF-CZUORRHYSA-N	301.361	4.167	70	20	DIID	
O=C(N[C@@H]1CCCc2sccc21)c1ccc2ncccc2c1	159997716	ZFFUGJZUFAMLQL-MRXNPFEDSA-N	308.406	4.104	70	20	DIID	
Fc1ccc(CNCC2CCSCC2)cc1C(F)(F)F	160149464	XTMOSYLLWGPPBB-UHFFFAOYSA-N	307.356	4.077	70	20	DIID	
CC(C)[C@H](NCc1noc(-c2ccsc2)n1)c1ccccc1	160609790	GNDLUCRJEHWXRC-INIZCTEOSA-N	313.426	4.285	70	20	DIID	
Cc1ccccc1C[C@H](C)N[C@H](C)c1ccc([S@](C)=O)cc1	160765369	YYYNNODXYSUIHS-WJONJSRFSA-N	315.482	4.014	70	20	DIID	
C[C@@H](N[C@H](c1ccc2c(c1)OCCO2)C1CC1)c1cccs1	161128291	PPKOBQUWHUSRNY-XIKOKIGWSA-N	315.438	4.321	70	20	DIID	
COCc1ccc([C@@H]2CCCN2C(=O)c2cccc(Cl)c2)o1	161243141	SWMOZYOSSHRNPM-HNNXBMFYSA-N	319.788	4.057	70	20	DIID	
CC(C)(C)c1ccc(SCC(=O)OCc2cccnc2)cc1	217756481	IYIBPYUDVFCRNJ-UHFFFAOYSA-N	315.438	4.215	70	20	DIID	
CCn1nccc1CN[C@@H](C)C(c1ccccc1)c1ccccc1	159935764	NCNZJKZUKLCNBM-KRWDZBQOSA-N	319.452	4.213	70	20	DIID	
CCCc1nnc(SCCCSCc2ccccc2)o1	160180846	ZGABWQCUSFALTP-UHFFFAOYSA-N	308.472	4.438	70	20	DIID	
Cc1cc(Oc2ccc(NC(=O)c3cscc3C)cc2)n[nH]1	160427995	CZDRDRQSXYCLLP-UHFFFAOYSA-N	313.382	4.133	70	20	DIID	
Cc1ccc(CN(C)C)cc1NC(=O)c1ccc(F)c(Cl)c1	160985373	JGRWEZUBDVTDTN-UHFFFAOYSA-N	320.795	4.101	70	20	DIID	
CC[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccc(C(F)(F)F)nc1	161232259	FPMRMCFPJXSNNR-DGCLKSJQSA-N	314.351	4.141	70	20	DIID	
COc1ccc(Cl)c(NCc2cc(F)c(F)cc2F)c1	218133899	USPORGIVMFTHIG-UHFFFAOYSA-N	301.695	4.378	70	20	DIID