smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
C[C@]1(C(=O)Nc2ccc(S(=O)(=O)F)cc2)CCCOC1	275000924	UMKSIKXRKUVVMR-ZDUSSCGKSA-N	301.339	2.100	70	20	DEID	
CCO[C@@H](C(=O)Nc1ccc(C)c(S(=O)(=O)F)c1)C1CC1	875836767	VPERUNGILLHFRQ-CYBMUJFWSA-N	315.366	2.407	70	20	DEID	
CN(Cc1cccn1C)C(=O)NCCCNc1ccccn1	161036461	CVCNLJCLCUCNJU-UHFFFAOYSA-N	301.394	2.064	70	20	DEID	
C[C@H]1C[C@@H](C)CN(CCCNC(=O)NOCc2cccnc2)C1	161075313	SSCMFWAEZJBEAI-GASCZTMLSA-N	320.437	2.180	70	20	DEID	
CS[C@H]1CCC[C@@H](NC(=O)[C@@H]2Cc3ccccc3CN2)C1	161122895	DMKHZGKFGUTJFQ-PMPSAXMXSA-N	304.459	2.491	70	20	DEID	
COC1(C(=O)N(C)CC(C)(C)c2ccc(C)cc2)CCNCC1	161257626	ALFZKPJYHRLXPK-UHFFFAOYSA-N	318.461	2.500	70	20	DEID	
CC(C)(C)C[C@@H](CO)Nc1ccc2nnc(C(F)(F)F)n2n1	161436575	MJBOMRZXZCPXPB-QMMMGPOBSA-N	317.315	2.352	70	20	DEID	
CCCNS(=O)(=O)c1ccc(NC(=O)NC2CC=CC2)cc1	161443178	YNYZFEWNMXSYSK-UHFFFAOYSA-N	323.418	2.215	70	20	DEID	
COC[C@@H](O)CCNC(=O)c1ccc(Oc2ccccc2)nc1	161457700	YRXWIYFCMVVVMS-AWEZNQCLSA-N	316.357	2.001	70	20	DEID	
COC(=O)c1ccc(NC(=O)N2CCC[C@H]([C@H](C)O)C2)cc1F	160419988	MUBPDFJHGCVFCN-QWRGUYRKSA-N	324.352	2.237	70	20	DEID	
CCCC1(CNC(=O)c2cccc(S(=O)(=O)NCC)c2)CC1	160459365	KATSMDTXCYPUQV-UHFFFAOYSA-N	324.446	2.295	70	20	DEID	
CCOc1ccccc1CNC(=O)NCc1cnn(C)c1C	160503788	PPCMDIXEQIXJLZ-UHFFFAOYSA-N	302.378	2.127	70	20	DEID	
CNC(=O)COc1cccc(CC(=O)N2[C@H](C)CCC[C@H]2C)c1	160764404	PUTVKQGUJSZISY-ZIAGYGMSSA-N	318.417	2.143	70	20	DEID	
O=C(NCCN1CCCCC1)Nc1ccn(CC(F)(F)F)n1	160780057	GYIDEMCSPUPZHK-UHFFFAOYSA-N	319.331	2.053	70	20	DEID	
O=C(NCC1(O)CCC1)N[C@@H]1CCO[C@H](c2ccccc2)C1	160908185	BCCDCWLZUKQCOZ-CABCVRRESA-N	304.390	2.121	70	20	DEID	
CCCCn1ncc(NC(=O)N[C@H](C)C(=O)N[C@@H](C)CC)c1C	159813761	GCNRATLPBBIGED-NWDGAFQWSA-N	323.441	2.416	70	20	DEID	
Cn1cnc2cc(C(=O)Nc3ccc4c(c3)CCC(=O)N4)cnc21	159649923	KWCKYHMFXCUFTA-UHFFFAOYSA-N	321.340	2.105	70	20	DEID	
O=C(Nc1cccc(S(=O)(=O)F)c1)[C@H]1CCCSC1	460093089	NKUDHNCJZCOHBS-VIFPVBQESA-N	303.380	2.427	70	20	DEID	
O=c1occ(-c2ccc(Cl)cc2)n1CCS(=O)(=O)F	883953802	LNLXYHYYCQQORI-UHFFFAOYSA-N	305.714	2.061	70	20	DEID	
CCOc1ccc2c(c1)C[C@@H](C(=O)N[C@@H](CO)CC(C)C)CO2	161195937	FELVSKARRVSCPQ-HUUCEWRRSA-N	321.417	2.160	70	20	DEID	
CCCN(CC(=O)N(C)C)C(=O)c1cnn(CCC)c1C1CC1	160608266	QRTSCEHXOPADCW-UHFFFAOYSA-N	320.437	2.111	70	20	DEID	
N[C@@H]1CCC[C@H](NC(=O)c2ccc(N3CCCCCC3)nc2)C1	160767423	CJRJNCZFQNDPHJ-CVEARBPZSA-N	316.449	2.462	70	20	DEID	
COc1ccccc1-n1cnnc1SCc1nnc(C)n1C	160980559	FQDKJSHLLUEWAR-UHFFFAOYSA-N	316.390	2.005	70	20	DEID	
CC(C)OC1CCC(NC(=O)c2ccc3nncn3c2)CC1	159429881	QDVKAKMESODOKB-UHFFFAOYSA-N	302.378	2.195	70	20	DEID	
CC(C)OC1CCC(NC(=O)[C@H]2CCn3ccnc3C2)CC1	159453953	AJTPKJRDOHWCQO-NFOMZHRRSA-N	305.422	2.298	70	20	DEID	
Cc1ccc(F)c(NC(=O)NCC2CCS(=O)(=O)CC2)c1	159477553	DLKABFKZQUWLFR-UHFFFAOYSA-N	314.382	2.080	70	20	DEID	
Cc1nc(C)n(-c2ccccc2NC(=O)[C@@]2(C)CCCO2)n1	159497376	IOQCJQUTONCCBY-MRXNPFEDSA-N	300.362	2.392	70	20	DEID	
COC[C@H](O)CNC(=O)c1[nH]c2ccc(Cl)cc2c1Cl	159497578	IGOVILKKHDNSGE-MRVPVSSYSA-N	317.172	2.212	70	20	DEID	
CCN(CCN[C@@H]1C[C@H](C)N(C2CC2)C1)C(=O)OC(C)(C)C	159498924	MTUPDYBABQIZGJ-UONOGXRCSA-N	311.470	2.458	70	20	DEID	
O=S(=O)(F)Oc1ccc(-c2noc(-c3cccnc3)n2)cc1	1887504313	RLMRYIFFPNTZPV-UHFFFAOYSA-N	321.289	2.392	70	20	DEID	
CN(C(=O)Nc1c(F)cccc1Cl)[C@@H]1CCS(=O)(=O)C1	217313220	LXKRQKMQQCFSFM-MRVPVSSYSA-N	320.773	2.130	70	20	DEID	
N#Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)F)c2)cc1	460095408	UWBUSDGSGNKEQA-UHFFFAOYSA-N	304.302	2.469	70	20	DEID	
O=C(C[C@H]1C[C@H]2CC[C@H]1O2)Nc1ccc(S(=O)(=O)F)cc1	460095541	RYABRWUWADHDNS-IRUJWGPZSA-N	313.350	2.241	70	20	DEID	
O=C(CCc1cncs1)Nc1ccc(S(=O)(=O)F)cc1	864238569	MEZMHWZWARLJAU-UHFFFAOYSA-N	314.363	2.373	70	20	DEID	
C[C@H]1CC(NC(=O)c2cccc(S(=O)(=O)F)c2)C[C@H](C)O1	1120943870	ALODRCMHQCCRMK-UWVGGRQHSA-N	315.366	2.031	70	20	DEID	
CC[C@H](C)CN(C)C(=O)Cc1ccc(S(=O)(=O)F)cc1	1340310012	RBCPZUGMTPOUSR-NSHDSACASA-N	301.383	2.392	70	20	DEID	
CCNC(=O)NC(=O)[C@H](C)N[C@H](CC)c1ccc(F)cc1F	161008877	GSRHXLVGQSSBQU-TVQRCGJNSA-N	313.348	2.240	70	20	DEID	
Cc1ccc(F)c(S(=O)(=O)NC[C@@H](O)Cc2ccccc2)c1	161063935	IJPHNBWWXCWWRJ-AWEZNQCLSA-N	323.389	2.016	70	20	DEID	
CC[C@H](CCO)CNC(=O)Nc1ccc(-c2ncn(C)n2)cc1	161085472	FZDLVZHEHOPPHX-GFCCVEGCSA-N	317.393	2.012	70	20	DEID	
CCc1nnc([C@@H](C)N2CCC([C@H](O)C(F)(F)F)CC2)o1	161210773	LKZURJCEUUMNHW-KCJUWKMLSA-N	307.316	2.328	70	20	DEID	
COC[C@@H](O)CCNC(=O)CCc1ccc(-c2ccccc2)o1	161495930	RNXCLHQNIRJUDU-HNNXBMFYSA-N	317.385	2.393	70	20	DEID	
C[C@H](CN1CCCCC1)NC(=O)c1ccc(CN(C)C)cc1	160104429	BKUYAMMOUOSLCK-OAHLLOKOSA-N	303.450	2.352	70	20	DEID	
CC(C)n1cc(S(=O)(=O)N[C@H](C)c2cccc(O)c2)cn1	160161381	UQQSZOKZQMKKMJ-LLVKDONJSA-N	309.391	2.209	70	20	DEID	
CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)NC1CC=CC1	160355382	YCFLIRFEIJTNMC-ZDUSSCGKSA-N	322.430	2.257	70	20	DEID	
C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)C1CCC(C)(C)CC1	160375352	BCGUPBPDVVEZFH-VXGBXAGGSA-N	303.468	2.483	70	20	DEID	
CN[C@H]1CCN(C(=O)C2(c3cccc(OC)c3)CCCC2)C1	160583107	WYSSJPWGJPVHJW-HNNXBMFYSA-N	302.418	2.327	70	20	DEID	
C[C@H]1C[C@@H](N[C@@H](CN2CCCC2=O)c2ccccc2)CCN1C	160660325	XPGAHWZLCJSHRI-SZMVWBNQSA-N	315.461	2.422	70	20	DEID	
Cc1c(CNC(=O)NCCc2cc(F)cc(F)c2)cnn1C	160833215	WQRSMXGUSHMLNP-UHFFFAOYSA-N	308.332	2.049	70	20	DEID	
O=C(CNC(=O)c1ccsc1)N[C@H]1CCOC2(CCCC2)C1	159801791	KAMJNHHLAZTIIS-ZDUSSCGKSA-N	322.430	2.086	70	20	DEID	
CN(CCN(C)c1ccccc1)C(=O)NCCc1cscn1	159612450	ZTSHSDAQPSVXEL-UHFFFAOYSA-N	318.446	2.463	70	20	DEID	
CNS(=O)(=O)c1ccc([C@H](C)N[C@@H]2CCCSC2)cc1	159647996	MDLCDSVYQOAOSN-WCQYABFASA-N	314.476	2.141	70	20	DEID	
CC(C)n1cc([C@H](C)N[C@H](C(N)=O)c2ccc(F)cc2)cn1	159847413	FHIXOHLNPBQOTE-NHYWBVRUSA-N	304.369	2.480	70	20	DEID	
CONC(=O)[C@H](C)CC(=O)c1cccc(Br)c1	159855439	QBNWBIYACTZVRX-MRVPVSSYSA-N	300.152	2.336	70	20	DEID	
CC(=O)N1CC[C@H](NC(=O)C(C)(C)c2ccc(Cl)cc2)C1	159513489	UJJYJGRCOPLIGJ-AWEZNQCLSA-N	308.809	2.355	70	20	DEID	
Cc1cc(NC(=O)[C@H](C)CN(C)C(=O)OC(C)(C)C)c[nH]c1=O	159383608	VDQTWPXCBIQBNI-LLVKDONJSA-N	323.393	2.125	70	20	DEID	
O=C(NCC1(C2CC2)CC1)[C@H]1CC(=O)N(c2ccccc2F)C1	159991750	WGADFVCTZOYOIL-LBPRGKRZSA-N	316.376	2.485	70	20	DEID	
CN([C@H](CN)C1CC1)S(=O)(=O)c1cc(Cl)cc(Cl)c1	159956046	KBZHXWYUGAOUEK-GFCCVEGCSA-N	323.245	2.351	70	20	DEID	
CC(C)(C)OCC(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	857674230	GFJXWPJRZBIBPC-UHFFFAOYSA-N	307.318	2.238	70	20	DEID	
CC(C)SCCNC(=O)Cc1ccc(S(=O)(=O)F)cc1	1338923371	FFIBXRXSYCNXIE-UHFFFAOYSA-N	319.423	2.145	70	20	DEID	
Cn1ccc2ccc(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)cc21	1262787688	FVRANYTUNLOTHD-UHFFFAOYSA-N	321.333	2.417	70	20	DEID	
CCNC(=O)N1CCN(C(=O)[C@H]2C[C@@H]2c2sccc2C)CC1	160095275	ACBWQKAZJUCTDF-STQMWFEESA-N	321.446	2.034	70	20	DEID	
C[C@H](O)C[C@@H]1CCCN1C(=O)Nc1ccc(-n2cccn2)nc1	160145825	QMUXUIMTYCEXDE-JSGCOSHPSA-N	315.377	2.035	70	20	DEID	
CC[C@H]1CCCC[C@H]1NC(=O)c1cc(C)ccc1S(N)(=O)=O	160258722	DVCDROKUTGDENK-GXTWGEPZSA-N	324.446	2.341	70	20	DEID	
CC(C)NC(=O)c1ccc(C(=O)N[C@H](C)[C@@H]2CCCO2)cc1	160274790	UAZJTGDXJVQSPO-DOMZBBRYSA-N	304.390	2.122	70	20	DEID	
Cc1cc(NC(=O)CN2CCC[C@H]2c2cccc(C)n2)on1	160436673	LUHIDGBWICEIMK-AWEZNQCLSA-N	300.362	2.462	70	20	DEID	
COCCCOc1ccc(C(=O)N[C@H](CO)CC(C)C)cc1	160629878	WMKNYUKUKKPYDM-HNNXBMFYSA-N	309.406	2.239	70	20	DEID	
Cc1ccc(C(=O)N[C@@H](CO)CC(C)C)c(Br)n1	160712070	IABYWTIJLUAFQG-SNVBAGLBSA-N	315.211	2.289	70	20	DEID	
CCCN(CCO)C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1	160775479	GKGHVYZKBBEZGY-CVEARBPZSA-N	306.406	2.321	70	20	DEID	
Cn1cc(S(=O)(=O)F)cc1C(=O)C(Cl)(Cl)Cl	238851029	DTPGZLDIAQKBFM-UHFFFAOYSA-N	308.545	2.236	70	20	DEID	
CC1(NC(=O)N[C@H]2CCN(c3ccccc3F)C2=O)CCC1	161205373	TUMGYFKSSMUNAD-LBPRGKRZSA-N	305.353	2.173	70	20	DEID	
CC(=O)NC1CCC(Nc2ccc3c(c2)NC(=O)[C@H](C)O3)CC1	161328444	WOPWRNNPTSOOSC-PKSQDBQZSA-N	317.389	2.265	70	20	DEID	
CC[C@H](NCc1ccccc1N1CCOCC1)c1cnn(C)c1	161452921	ILIOFDRLHMLXCN-KRWDZBQOSA-N	314.433	2.498	70	20	DEID	
COCCC1(CNC(=O)NCC(C)(C)[C@@H](O)C(C)C)CC1	160088345	BBJPPSBHWRBVDD-ZDUSSCGKSA-N	300.443	2.145	70	20	DEID	
COC(=O)c1ccc(F)c(NC(=O)N2CCC[C@H]2C[C@H](C)O)c1	160109990	BVPDUPALLGRFPR-JQWIXIFHSA-N	324.352	2.380	70	20	DEID	
Cc1ccccc1C(=O)N(C)CC(C)(C)CN1CCOCC1	160206367	IBHYTKMEYCXBFV-UHFFFAOYSA-N	304.434	2.425	70	20	DEID	
NC(=O)c1ccc(C(=O)N[C@H]2CCOC3(CCCCC3)C2)s1	160461592	JCGFSCYJXGHYAP-NSHDSACASA-N	322.430	2.459	70	20	DEID	
O=C1CN(Cc2cccc(OCc3ccccc3F)c2)CCN1	160510846	XKAUIDGNTDZWGT-UHFFFAOYSA-N	314.360	2.337	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)CCc1nc2c(C)cccc2[nH]1	160559510	WVFQIQCLYVFVJF-GFCCVEGCSA-N	317.389	2.262	70	20	DEID	
O=S(=O)(C1CC1)N1CC[C@@H](Oc2ccccc2Cl)C1	160599475	MZAJGTXRAVVOOW-SNVBAGLBSA-N	301.795	2.285	70	20	DEID	
O=C(N[C@H]1[C@H]2CCO[C@@H]2C12CCC2)c1cccc(-c2ncn[nH]2)c1	160611672	NXWGSWAZCFIIHA-ILXRZTDVSA-N	324.384	2.159	70	20	DEID	
CC[C@@](C)(CCO)NC(=O)Nc1ccn(CC(F)(F)F)n1	160667669	FSZSBTYRXGRJAI-NSHDSACASA-N	308.304	2.118	70	20	DEID	
O=C(CNC[C@@H]1CCCO1)Nc1ccc(F)cc1OCC1CC1	160678239	MMXGWXZIYXIBLR-AWEZNQCLSA-N	322.380	2.322	70	20	DEID	
Cc1nccc(CNC(=O)N2CCC(CCCN(C)C)CC2)n1	160711708	OTZQCESRFACYEK-UHFFFAOYSA-N	319.453	2.048	70	20	DEID	
O=C(Nc1[nH]ncc1-c1ccc2c(c1)OCO2)[C@H]1CCCCO1	159808930	BUCRMGPZUBBKBT-CYBMUJFWSA-N	315.329	2.313	70	20	DEID	
CN(CCN1CCCC1)CC1CCN(C(=O)C(C)(C)C)CC1	159647526	VENJZERQAWSUID-UHFFFAOYSA-N	309.498	2.299	70	20	DEID	
C[C@@H](OCC1CC1)C(=O)Nc1cccn(CC(F)(F)F)c1=O	159682869	SWMCEYJXTKHIFE-SECBINFHSA-N	318.295	2.164	70	20	DEID	
Cn1c(SCC(=O)OC(C)(C)C)nnc1-c1ccccn1	159503740	TYONWNPKHSKWSB-UHFFFAOYSA-N	306.391	2.311	70	20	DEID	
CSC[C@](C)(O)CNC(=O)Nc1ccnc(C)c1Cl	159739885	MWLSIODWXSYKJC-GFCCVEGCSA-N	303.815	2.279	70	20	DEID	
CCNC(=O)c1ccc(NC(=O)N[C@@H](COC)C2CC2)c(C)c1	159364547	PBVBYKSWIZKBRN-HNNXBMFYSA-N	319.405	2.291	70	20	DEID	
COC(=O)c1csc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2C)c1	159759128	DDJREGBYHWQENY-MWLCHTKSSA-N	324.402	2.168	70	20	DEID	
CCCc1nc(C)c(C(=O)NCCn2cnnc2C2CC2)s1	217235061	JWAVEMNZLUUQDT-UHFFFAOYSA-N	319.434	2.303	70	20	DEID	
CCOCCCNc1ccc([N+](=O)[O-])cc1CS(=O)(=O)F	881741463	JGLCAGOTBFNHPY-UHFFFAOYSA-N	320.342	2.233	70	20	DEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC[C@@H]2CCC[C@@H]21	1338389623	LKNCRACHQVSVKX-CABZTGNLSA-N	300.355	2.078	70	20	DEID	
COc1ccccc1N1CC[C@@H](NC(=O)c2c(C)noc2C)C1	161052416	ABBQIQUIUMGKFI-CYBMUJFWSA-N	315.373	2.309	70	20	DEID	
Cc1nn(C)c(C)c1OCC(=O)N[C@@H]1CCOC2(CCCC2)C1	160036493	ZYUQZCMZMPETKP-CQSZACIVSA-N	321.421	2.024	70	20	DEID	
CN(C)[C@H](CNC(=O)N1CCC[C@@](C)(O)C1)C1CCCCC1	160299826	UOCHOZCHTBVEJV-NVXWUHKLSA-N	311.470	2.053	70	20	DEID	
Cc1conc1NC(=O)C(=O)N(Cc1ccc(F)cc1)C1CC1	160351284	HNRWHSNEZWRIDP-UHFFFAOYSA-N	317.320	2.252	70	20	DEID	
CC[C@H](C(=O)NCCC(=O)N1CCCCC1)c1c(C)noc1C	160527781	XMDVZUHXTGCIJN-AWEZNQCLSA-N	321.421	2.304	70	20	DEID	
CCc1nn(C)c(Cl)c1C(=O)N[C@H]1[C@H]2CCO[C@@H]2C12CCC2	160611100	ZALHTQNXIGJWFU-ICCXJUOJSA-N	323.824	2.323	70	20	DEID	
CC(C)[C@@H](CCO)NC(=O)[C@H]1CCCN1Cc1ccccc1	160702094	DJCLZAQWBCAIQU-IAGOWNOFSA-N	304.434	2.174	70	20	DEID	
O=C(NCCn1ccnc1)NCc1ccccc1OCC1CC1	160818124	DXHFYZFTHLVOER-UHFFFAOYSA-N	314.389	2.171	70	20	DEID	
CC(C)CN(CCN(C)C)C(=O)N[C@H]1CCN(C2CCCC2)C1	160850498	SWXDEDNTWVHOCT-INIZCTEOSA-N	324.513	2.233	70	20	DEID	
CC[C@H](NS(=O)(=O)CCCOC)c1ccc(F)cc1F	159609675	GRLDLOPFRGMLEE-ZDUSSCGKSA-N	307.362	2.372	70	20	DEID	
CC(C)Oc1cc(CNC(=O)NC[C@@H](C)N(C)C2CC2)ccn1	159863489	YNDCKFHAEXMYPM-CYBMUJFWSA-N	320.437	2.151	70	20	DEID	
CCN1CCCN(C(=O)NCCc2c(F)cccc2F)CC1	159704158	LIURGWVGCVIKBJ-UHFFFAOYSA-N	311.376	2.245	70	20	DEID	
CC(=O)N1CC[C@H](NC(=O)C(C)(C)c2ccccc2Cl)C1	159735607	TXXBGFVIAJANLX-LBPRGKRZSA-N	308.809	2.355	70	20	DEID	
CCc1nn(C)c(Cl)c1C(=O)N(C)CCCn1ccnc1C	159382325	XYAXKZMCPVTPBH-UHFFFAOYSA-N	323.828	2.303	70	20	DEID	
Cc1ccccc1CS(=O)(=O)NC[C@H](O)C1CCCCC1	159572340	CNHDKTGOQLHOFD-INIZCTEOSA-N	311.447	2.356	70	20	DEID	
C[C@@H](CC#N)N(C)C(=O)c1cc(S(=O)(=O)F)ccc1Cl	1337807011	AQZFDPAXXAUPFS-QMMMGPOBSA-N	318.757	2.372	70	20	DEID	
CNC[C@@H]1CCCN1C(=O)Cc1ccccc1Br	217268462	UJUMJPCOYTZQSG-LBPRGKRZSA-N	311.223	2.202	70	20	DEID	
Cn1cnnc1CSc1nc2ccccc2c(=O)n1C1CC1	161004165	XMWLEVOSSYKRIC-UHFFFAOYSA-N	313.386	2.152	70	20	DEID	
CCC(=O)N1CC[C@@H](NC(=O)[C@H](CC)c2ccc(F)cc2)C1	161140852	APQGQCLGPWMCGP-HUUCEWRRSA-N	306.381	2.446	70	20	DEID	
CC(=O)Nc1cc(NC(=O)c2cccc(=O)n2C)ccc1Cl	161151416	FFVWFLPYBJTSJO-UHFFFAOYSA-N	319.748	2.249	70	20	DEID	
CN(C)Cc1ccc(C(=O)N[C@H]2CCN(c3ccccn3)C2)cc1	161231883	UQDPYCRTXRBAAI-KRWDZBQOSA-N	324.428	2.152	70	20	DEID	
N[C@@H]1CCC[C@H](NC(=O)c2ccc(OCC(F)(F)F)nc2)C1	161334549	GBSIZKJSBIRBNE-MNOVXSKESA-N	317.311	2.022	70	20	DEID	
O=C(CNc1cccc(F)c1)N1CC[C@H](Oc2cccnc2)C1	161467605	LFXPFNDCYCHVBC-INIZCTEOSA-N	315.348	2.313	70	20	DEID	
CC(C)(C)C(=O)NCCC(=O)NC[C@@H]1[C@H]2Cc3ccccc3[C@@H]21	161479583	XHYXBRQXDBRPRG-INMHGKMJSA-N	314.429	2.241	70	20	DEID	
O=C(Cc1ccc(OC(F)F)cc1)NCCSCCCO	161481344	MQVBSIOXLSOVFL-UHFFFAOYSA-N	319.373	2.062	70	20	DEID	
CN(CC1CCOCC1)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2	160254599	QFKBMKHSADQCQX-OAGGEKHMSA-N	322.449	2.402	70	20	DEID	
CNC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]3CC[C@@H]2O3)c(Cl)c1	160302983	REZFHUDDBXZFAN-KWBADKCTSA-N	308.765	2.206	70	20	DEID	
C[C@H](C(=O)N(C)[C@H](C)CO)c1ccc(Br)s1	160423583	BPOPOYPRGCAPDX-SFYZADRCSA-N	306.225	2.453	70	20	DEID	
C[C@@H](Oc1cccc(Cl)c1)C(=O)N1C[C@@H]2CCC[C@H](C1)N2	160541589	QQXSVMQCHVTVAL-BNOWGMLFSA-N	308.809	2.460	70	20	DEID	
O=C(NCC(=O)N1CCCC1)c1cncc(-c2ccccc2)c1	160568536	XNMAPJPTCVPLGB-UHFFFAOYSA-N	309.369	2.101	70	20	DEID	
C[C@@H]1CCN(C(=O)Nc2cccnc2-n2cncn2)C[C@@H]1C	160730427	WTBCKTMVRRYKOG-NEPJUHHUSA-N	300.366	2.172	70	20	DEID	
C[C@H](OC[C@@H]1CCCO1)C(=O)N[C@H]1CCOC2(CCCC2)C1	159608591	LMWRAVVYMMADPO-KKUMJFAQSA-N	311.422	2.179	70	20	DEID	
C[C@H](CC(=O)N(CCN(C)C)C[C@H]1CCCO1)c1ccncc1	159617558	SEUMOIYMFONMNT-NVXWUHKLSA-N	319.449	2.144	70	20	DEID	
C[C@@H]1CCc2ccccc2N1C(=O)CN(C)C[C@@H]1CCC[C@@H]1O	159463062	JTBJJPHDJMVWMU-HFTRVMKXSA-N	316.445	2.447	70	20	DEID	
CCN1CCCN(C(=O)N[C@H](C)CN2C[C@@H](C)C[C@@H](C)C2)CC1	159746868	ZZTUGEDKUHXUKT-IXDOHACOSA-N	324.513	2.090	70	20	DEID	
CCN1CCCN(C(=O)NC[C@H]2CCCO[C@@H]2C(C)C)CC1	159950872	GBMALENYLNCNDC-HZPDHXFCSA-N	311.470	2.175	70	20	DEID	
Cc1cc(C)cc(OCCC(=O)NC[C@@H](O)COCC(C)C)c1	159382589	QWQAZQMQHUIAPJ-MRXNPFEDSA-N	323.433	2.222	70	20	DEID	
O=C([C@@H]1CCCNC1)N1CCc2cccc(Br)c2C1	160917461	YTKUWDWQVDFDIM-GFCCVEGCSA-N	323.234	2.333	70	20	DEID	
O=C(OC[C@H]1C[C@H]2CC[C@H]1O2)c1ccc(S(=O)(=O)F)cc1	490538156	XBVWZUOKBSABKK-NQBHXWOUSA-N	314.334	2.069	70	20	DEID	
Cc1ccc(NC(=O)[C@@]2(C)CCCOC2)cc1S(=O)(=O)F	857675476	ONUGQZYMTHTNQJ-AWEZNQCLSA-N	315.366	2.408	70	20	DEID	
CCC[C@H](C#N)NC(=O)c1cc(S(=O)(=O)F)ccc1Cl	1354861974	HRZAEGYIDYIBPR-MRVPVSSYSA-N	318.757	2.420	70	20	DEID	
COCc1ccc(CNC(=O)NOCc2cccnc2)cc1	161069009	DCYCJHRRJAUBLN-UHFFFAOYSA-N	301.346	2.159	70	20	DEID	
COC(=O)NCCCC(=O)N[C@@H](C)CC(=O)c1ccc(F)cc1	161190644	IUZUQYKGFSGWRY-NSHDSACASA-N	324.352	2.039	70	20	DEID	
Cc1cccc([C@H](NC(=O)CC(=O)N(C)C)c2ccccn2)c1	160114845	OYNUEVDIDPVPPR-SFHVURJKSA-N	311.385	2.074	70	20	DEID	
O=C1CC[C@H]2CN(C(=O)Cc3ccc(Cl)cc3)CC[C@H]2N1	160564385	NFMDJPVCDXOBMY-GXTWGEPZSA-N	306.793	2.010	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)Cc1cccc(OC(F)F)c1	160849603	VGUNYNMZYNTFMN-SNVBAGLBSA-N	315.316	2.288	70	20	DEID	
Cc1ccc(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)c(=O)[nH]1	160899055	RKBVBRNAOXZHFF-CYBMUJFWSA-N	304.390	2.295	70	20	DEID	
CC1(NS(=O)(=O)Cc2ccccc2Cl)CCOCC1	160977579	XARWKGVSJBZHHK-UHFFFAOYSA-N	303.811	2.329	70	20	DEID	
N[C@H]1CCC[C@@H](NC(=O)Cc2csc(-c3ccoc3)n2)C1	160981582	ZYFAJSNZXBINEK-NWDGAFQWSA-N	305.403	2.332	70	20	DEID	
C[C@@H](c1ccsc1)N1CCN(C(=O)c2ncccc2O)CC1	159413315	WPMSRHCAWIVWJD-LBPRGKRZSA-N	317.414	2.368	70	20	DEID	
O=C(Nc1cc(F)c(F)c(F)c1)C(=O)N1CCC2(CCC2)C1	159473081	KQENHODVXDBFDV-UHFFFAOYSA-N	312.291	2.445	70	20	DEID	
Cc1nn(C)c2ncc(CN[C@@H]3[C@H]4CCO[C@@H]4C34CCC4)cc12	159526408	DIQPOFKTFSJDAF-BMFZPTHFSA-N	312.417	2.324	70	20	DEID	
COCC[C@@H](C)NC(=O)c1cc(-c2ccc(OC)cc2)n[nH]1	159726434	JRLRTWIQYJHHSI-LLVKDONJSA-N	303.362	2.240	70	20	DEID	
CC(C)NC(=O)c1ccc(C(=O)N2C[C@@H](C)OC[C@@H]2C)cc1	159751732	VIGIBROHXWOASI-QWHCGFSZSA-N	304.390	2.074	70	20	DEID	
CCN(C(=O)CCc1ccc(S(=O)(=O)F)cc1)[C@@H](C)C#N	1349740095	BQYUEBOLWMPMLB-NSHDSACASA-N	312.366	2.038	70	20	DEID	
CCOC[C@H](NC(=O)c1ccc(S(=O)(=O)F)cc1)C(C)C	864241346	SIGKZSQVOIPMQZ-ZDUSSCGKSA-N	317.382	2.136	70	20	DEID	
O=C(Nc1cc(F)c(F)cc1F)c1cc(S(=O)(=O)F)c[nH]1	1336949276	KRKXYUFRRBQAFZ-UHFFFAOYSA-N	322.239	2.343	70	20	DEID	
O=C(Nc1ccc(Cl)cc1O)c1cc(S(=O)(=O)F)c[nH]1	1263760735	KQSLGXDJGFGQDR-UHFFFAOYSA-N	318.713	2.284	70	20	DEID	
CCc1n[nH]c(NC(=O)[C@H]2CCCCO2)c1Br	159860607	KTVZUOLWUSJPGK-MRVPVSSYSA-N	302.172	2.242	70	20	DEID	
COC[C@@H](O)CCNC(=O)C(C)(C)Oc1ccc(Cl)cc1	161221922	AAYYQNLVYWAGQH-LBPRGKRZSA-N	315.797	2.011	70	20	DEID	
CCSCCN1CCC(C(=O)NCCCOC(C)C)CC1	160412594	FGTRCGXWCLIHSR-UHFFFAOYSA-N	316.511	2.383	70	20	DEID	
Cc1sc2nc(SCc3nncn3C)n(C)c(=O)c2c1C	160931185	QFYKMUIQOJLAPX-UHFFFAOYSA-N	321.431	2.033	70	20	DEID	
COC(=O)C1(N(C)CC(=O)NCc2ccc(C)cc2)CCCC1	159439858	DMDLIIBXLHZWGA-UHFFFAOYSA-N	318.417	2.029	70	20	DEID	
CCN1CCCN(C(=O)NCCO[C@H]2CCCC[C@@H]2C)CC1	159642704	AMNTYUVLSNBZDE-HOTGVXAUSA-N	311.470	2.319	70	20	DEID	
C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)NCCCF	159522885	FFIGRFVANTWXAW-NEPJUHHUSA-N	317.405	2.433	70	20	DEID	
N#Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1	187232286	SYZZVUSHTIJIDR-UHFFFAOYSA-N	318.329	2.398	70	20	DEID	
C[C@H]1CC[C@H](CC(=O)Nc2ccc(S(=O)(=O)F)cc2)O1	460091186	JICHYPSGXYEXRV-GXSJLCMTSA-N	301.339	2.241	70	20	DEID	
Cc1ccc(NC(=O)[C@H](F)C(F)(F)F)cc1S(=O)(=O)F	857675371	LJHGPHGKEGTEPJ-QMMMGPOBSA-N	317.235	2.492	70	20	DEID	
CCOc1ncccc1NC(=O)c1ccc(S(=O)(=O)F)cc1	864238116	FDQNFSYHNSWDJY-UHFFFAOYSA-N	324.333	2.391	70	20	DEID	
Cc1noc(C2CC2)c1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1338389941	MSLBRZHCYNNUEN-UHFFFAOYSA-N	313.310	2.099	70	20	DEID	
CCNCC1CCN(C(=O)c2cccc(NC(C)=O)c2)CC1	161060254	JZMWGNBGOOIMTR-UHFFFAOYSA-N	303.406	2.107	70	20	DEID	
CCCOc1ccc(Cl)cc1NC(=O)C1(NC(N)=O)CC1	161142004	PAZHUXRRIBXWAY-UHFFFAOYSA-N	311.769	2.268	70	20	DEID	
CNC[C@H]1CCCN1C(=O)CCN1c2ccccc2CC[C@H]1C	161263839	SWALFVOFZLZFHD-NVXWUHKLSA-N	315.461	2.428	70	20	DEID	
CC[C@H](C(=O)NCCCSCC(C)C)N1CCCC1=O	160813729	FHWZSNUITWSSCZ-CYBMUJFWSA-N	300.468	2.283	70	20	DEID	
COc1ccc2nc(C)cc(C(=O)NCCc3cnn(C)c3)c2c1	160929181	GAEGGZHRVBBHRJ-UHFFFAOYSA-N	324.384	2.258	70	20	DEID	
C[C@]1(CNC(=O)Nc2ccnn2C[C@@H]2CCOC2)CCCS1	159807041	ZBDFKYCEOLRENX-SWLSCSKDSA-N	324.450	2.327	70	20	DEID	
C[C@@H]1CC(=O)CC[C@H]1C(=O)NCc1ccnc(N2CCCC2)c1	159553419	VWYLEAGTJJYBFF-CZUORRHYSA-N	315.417	2.303	70	20	DEID	
C[C@@H](c1ccco1)N(C)CCN1C(=O)NC2(CCCC2)C1=O	159761033	DZAMNUJAMCUGNF-LBPRGKRZSA-N	305.378	2.137	70	20	DEID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)c1cnn(C2CC2)c1	865204715	GQJZYXPCJXHTKC-UHFFFAOYSA-N	309.322	2.129	70	20	DEID	
CC(C)OCCCN(C)C(=O)c1ccc(S(=O)(=O)F)cc1	865211630	XDCXNVSOHXIYMH-UHFFFAOYSA-N	317.382	2.232	70	20	DEID	
CN(C)C1(CNC2CCN(C(=O)OC(C)(C)C)CC2)CCC1	218765197	OMMFKKCZXMUYGG-UHFFFAOYSA-N	311.470	2.460	70	20	DEID	
C[C@H](NC(=O)C(=O)Nc1ccc2[nH]ccc2c1)C1CCOCC1	161038830	HABFRGAESSPUAN-NSHDSACASA-N	315.373	2.038	70	20	DEID	
CC(=O)NC[C@H]1CCCN(C(=O)c2cnc(C(C)C)s2)C1	161044509	VMUMQYRYQHGQHM-GFCCVEGCSA-N	309.435	2.255	70	20	DEID	
CC[C@H](c1ccncc1)N(C)C(=O)C(=O)Nc1ccc(F)nc1	161251986	IFPGGPPTEREDCF-CYBMUJFWSA-N	316.336	2.164	70	20	DEID	
Cc1conc1NC(=O)C(=O)N1CCc2c(Cl)cccc2C1	161337123	NZHQYQQOMWBHEN-UHFFFAOYSA-N	319.748	2.160	70	20	DEID	
CCOCCC1(CNC(=O)NC[C@@H](O)c2ccccc2)CC1	161461405	AOZYQYZKYDZYAU-OAHLLOKOSA-N	306.406	2.226	70	20	DEID	
CC[C@@H](C(=O)Nc1ccc(C(C)(C)C(=O)OC)cc1)N(C)C	160043288	NXXJEGDIAMGCJZ-AWEZNQCLSA-N	306.406	2.416	70	20	DEID	
O=C(NCCc1cccc(O)c1)c1cn(Cc2ccccc2)nn1	160133336	UFTRPJYDMYWISL-UHFFFAOYSA-N	322.368	2.005	70	20	DEID	
CC(C)CN(CCN(C)C)C(=O)N[C@H]1CCO[C@H](C2CC2)C1	160360225	FCURBNXEDGUSII-HOTGVXAUSA-N	311.470	2.173	70	20	DEID	
COc1ccsc1C(=O)N1CCOC[C@H]1[C@@H]1CCCCC1=O	160486410	MUMCOCSKSWJNLM-RYUDHWBXSA-N	323.414	2.357	70	20	DEID	
COC[C@H](NC(=O)Nc1ccc(F)c(C(=O)N(C)C)c1)C1CC1	160873940	ICYKTFQIIHHUCM-AWEZNQCLSA-N	323.368	2.074	70	20	DEID	
Cc1nccc(NC(=O)N2CCOC[C@H]2C[C@@H](C)O)c1Cl	159424571	IEIOWIKTCYWODX-MWLCHTKSSA-N	313.785	2.047	70	20	DEID	
CC(C)Oc1cncc(C(=O)Nc2cc(Cl)c(=O)n(C)c2)c1	159831401	TZPTZYYYRMZUDU-UHFFFAOYSA-N	321.764	2.473	70	20	DEID	
CCc1ccc(NC(=O)C(=O)NC[C@@H]2CSCCS2)cc1	159680891	HLJMXJDGHSHZMO-CYBMUJFWSA-N	324.471	2.152	70	20	DEID	
Cc1cccc(NC(=O)C(=O)NC[C@@H]2CSCCS2)c1C	159685785	YAADEHBLTKUPHA-GFCCVEGCSA-N	324.471	2.207	70	20	DEID	
CCCCSCCC(=O)N1CCN(c2cnccn2)CC1	159567824	ZWQRJZUJNRSNEI-UHFFFAOYSA-N	308.451	2.049	70	20	DEID	
COc1ccc(S(=O)(=O)NC2(C)CCOCC2)c(C)c1C	161047277	WMRKPEVTVGYNDE-UHFFFAOYSA-N	313.419	2.159	70	20	DEID	
CCc1noc(C)c1NC(=O)C(=O)N1CC[C@@H](C)C[C@H](C)C1	161159288	CCYSASJSVVYCAK-MNOVXSKESA-N	307.394	2.379	70	20	DEID	
Cc1cnccc1CCNC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C	161479495	ASCCPVIXFHBXIC-ZNMIVQPWSA-N	303.406	2.045	70	20	DEID	
CC(=O)N1CC[C@@H](C(=O)Nc2[nH]nc(-c3ccc(C)o3)c2C)C1	161507513	GHFNDRPIWXIFHI-GFCCVEGCSA-N	316.361	2.093	70	20	DEID	
CN(CCOCC1CC1)C(=O)Nc1ccn(CC(F)(F)F)n1	160592320	FLERQTLQYWTEIN-UHFFFAOYSA-N	320.315	2.336	70	20	DEID	
Cc1cnn(CCC(=O)N[C@H](C)CC(=O)c2cccs2)c1	160744405	LCLYJCPDLJUQQS-GFCCVEGCSA-N	305.403	2.421	70	20	DEID	
O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)N1CCC(CO)CC1	160865556	GKKJUTWFAXYOCS-IAGOWNOFSA-N	318.417	2.321	70	20	DEID	
CC(C)C[C@@H](CO)NC(=O)COc1ccc2c(c1)CCCC2	160887719	NMBKXHLTYCXQRJ-INIZCTEOSA-N	305.418	2.467	70	20	DEID	
CC[C@@H](O)CCNC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1	160984135	IKEQSJAJASGLPC-OAGGEKHMSA-N	306.406	2.367	70	20	DEID	
CCc1nc2c(s1)[C@@H](N(C)C(=O)[C@@H](C)NC(C)=O)CCC2	160992800	RQXKELKWTWEONZ-SKDRFNHKSA-N	309.435	2.066	70	20	DEID	
NC(=O)[C@@H]1CCCCN1C(=O)Cc1c[nH]c2ccc(Cl)cc12	159615540	KWKAZABEODRKJK-AWEZNQCLSA-N	319.792	2.230	70	20	DEID	
CCCC(O)(CCC)CNC(=O)c1cnc2c(c1)ncn2C	159876305	ZNNVRNRVDFEWGO-UHFFFAOYSA-N	304.394	2.029	70	20	DEID	
O=C(NC(c1cccs1)c1cccs1)[C@H]1CNCCO1	159927461	JOBLVDDRKLRDEM-SNVBAGLBSA-N	308.428	2.004	70	20	DEID	
CN1CCC(C(=O)NC[C@H]2CCCN2c2ccccc2)CC1	217829254	GIADYYULDQUGMM-QGZVFWFLSA-N	301.434	2.113	70	20	DEID	
CCOCCCN1CC[C@H](NC(=O)CCc2ccco2)[C@@H](C)C1	217210051	QXVIZFWOYJQGPH-RDJZCZTQSA-N	322.449	2.465	70	20	DEID	
O=C(Nc1ccc(S(=O)(=O)F)c(F)c1)[C@@H]1CCCS1	857673967	AAZKYHFJWQQMAZ-VIFPVBQESA-N	307.343	2.318	70	20	DEID	
O=C(NCCc1cccs1)c1ccc(S(=O)(=O)F)cc1	864238669	PQMJGMCVAKPWRI-UHFFFAOYSA-N	313.375	2.379	70	20	DEID	
CSCCCN(C)C(=O)c1cccc(S(=O)(=O)F)c1	1338819847	OEANASFVKOKCTE-UHFFFAOYSA-N	305.396	2.170	70	20	DEID	
COc1ccc(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)cc1N	161044156	XVMODNARXRQAMW-LLVKDONJSA-N	317.389	2.007	70	20	DEID	
Cc1c(F)cccc1S(=O)(=O)NC[C@@H](O)Cc1ccccc1	161077563	QIMNWWDRPVQJJC-AWEZNQCLSA-N	323.389	2.016	70	20	DEID	
CC(C)CCNC(=O)/C=C/C(=O)Nc1ccc2[nH]ncc2c1	161164944	VTDPQUARGDZJNS-AATRIKPKSA-N	300.362	2.220	70	20	DEID	
COc1ccccc1N1CC[C@H](NC(=O)C[C@@H]2C=CCC2)C1=O	161341133	ZOYSOKJQRICHBU-KGLIPLIRSA-N	314.385	2.273	70	20	DEID	
CCc1ccc(S(=O)(=O)N(C)C[C@@H](O)C2CC2)cc1CC	161430352	JQWJMCLOSDQBFK-MRXNPFEDSA-N	311.447	2.203	70	20	DEID	
CCCn1nc(C)c(C(=O)NCc2cn3ccccc3n2)c1C	161454654	RUXOOLGLSLATDV-UHFFFAOYSA-N	311.389	2.488	70	20	DEID	
CN(CCN1CCCC1=O)C(=O)Nc1cc(F)c(F)c(F)c1	161491904	WXBCJVSIKGZADW-UHFFFAOYSA-N	315.295	2.190	70	20	DEID	
CCCn1c(CO)nnc1Sc1nc(C(C)(C)C)ns1	160027556	LAKNTDNCLAJGAO-UHFFFAOYSA-N	313.452	2.481	70	20	DEID	
CCCCN(CC(N)=O)C(=O)c1cc(F)cc2cccnc12	160394081	SGTCJHDZIAHDBP-UHFFFAOYSA-N	303.337	2.102	70	20	DEID	
CC[C@@H](C)[C@](C)(O)CNC(=O)Nc1ccn(CC(F)(F)F)n1	160477003	PCKGXZHZFBKJOT-BXKDBHETSA-N	322.331	2.364	70	20	DEID	
CCS[C@H]1CCC[C@H]1NC(=O)c1ccc2[nH]c(=O)n(C)c2c1	160661291	GUAFNIZYQKCEPX-OCCSQVGLSA-N	319.430	2.271	70	20	DEID	
CCCCN(Cc1ccc2cn[nH]c2c1)[C@H]1CCS(=O)(=O)C1	160761510	MUKVBFPBJWMHNL-HNNXBMFYSA-N	321.446	2.352	70	20	DEID	
CCCNC(=O)CN(CCC)C(=O)c1ccc(Cl)nc1C	159805083	WWLDGMWZSCPSRA-UHFFFAOYSA-N	311.813	2.422	70	20	DEID	
CC[C@@H]1CCC[C@@H]1NC(=O)CCOc1cccc(C(N)=O)c1	159622098	DKQZVSLDIRYKPN-DOMZBBRYSA-N	304.390	2.249	70	20	DEID	
CCC[C@H](CCO)CNC(=O)[C@](C)(O)[C@@H](C)c1ccccc1	159361586	GPVRHDLLYNNLFC-HDMKZQKVSA-N	307.434	2.456	70	20	DEID	
C[C@H]1CSc2ccccc2N(C(=O)CN2CSCC2=O)C1	159559834	VPCKLIOZNHQXTI-LLVKDONJSA-N	322.455	2.294	70	20	DEID	
CCOCCCN1CCN(C(=O)c2ccc(C)c(F)c2)CC1	159392271	YYXMTAJNGKMWQZ-UHFFFAOYSA-N	308.397	2.319	70	20	DEID	
O=C(Nc1cccc2c1OCCO2)c1cccc2[nH]c(=O)oc12	159997448	MYAJTNLKWVBYTJ-UHFFFAOYSA-N	312.281	2.145	70	20	DEID	
O=C(COC1CCCC1)Nc1ccc(S(=O)(=O)F)cc1	274985153	QMVYSTVRMSXBBK-UHFFFAOYSA-N	301.339	2.243	70	20	DEID	
O=S(=O)(OCC(F)(F)Sc1ncco1)C(F)(F)F	1261597157	QDNRPXCZHVWTMX-UHFFFAOYSA-N	313.225	2.226	70	20	DEID	
Cc1onc(-c2ccncc2)c1C(=O)N[C@@H](CO)CC(C)C	161075893	NPNHMCBHNFSWKH-CYBMUJFWSA-N	303.362	2.182	70	20	DEID	
COc1ccc(NC(=O)CCCNC(=O)C(C)(C)C)cc1N	161213720	SICPEVZFALAHRM-UHFFFAOYSA-N	307.394	2.158	70	20	DEID	
NC(=O)[C@H]1CCCC[C@@H]1NC(=O)CCc1ccc(F)cc1F	161282599	QUHUBJVUJRTLQL-JSGCOSHPSA-N	310.344	2.058	70	20	DEID	
CCOC(=O)CCCCN1CCC([C@@H](O)C(F)(F)F)CC1	161458925	ZVHSXNQUUJNQGG-CYBMUJFWSA-N	311.344	2.355	70	20	DEID	
NC[C@H]1CCCN1C(=O)/C=C/c1cc(Cl)c2c(c1)OCCO2	160137877	NSHZCEYTGDDUQA-AAOUONPWSA-N	322.792	2.074	70	20	DEID	
O=C(NCC1(C2CC2)CC1)[C@H]1CC(=O)N(Cc2ccccc2)C1	160224211	BJAWUIQZDFSDHU-HNNXBMFYSA-N	312.413	2.342	70	20	DEID	
CCc1nc(CN2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)n[nH]1	160240933	OORCWEHNBGFCGX-RYUDHWBXSA-N	323.441	2.197	70	20	DEID	
CCc1n[nH]c(=O)c(CNC(=O)N2C[C@@H](C)C[C@@H](C)C2)c1CC	160350751	IKPOXRFDOBWMON-TXEJJXNPSA-N	320.437	2.082	70	20	DEID	
Cc1conc1NC(=O)C(=O)N(Cc1cccs1)C1CC1	160387257	VOESRKDKFSVPBR-UHFFFAOYSA-N	305.359	2.174	70	20	DEID	
CCc1nc(CN[C@H](C)c2cccc(N3CCOC3=O)c2)n[nH]1	160387543	FMPNSTJODOYWKN-LLVKDONJSA-N	315.377	2.175	70	20	DEID	
Cc1nn(C)c(=O)c(C(=O)N[C@@H]2CCCc3sccc32)c1C	160398852	UXIRAWLWRAIPDC-GFCCVEGCSA-N	317.414	2.266	70	20	DEID	
CCc1n[nH]c(=O)c(CNC(=O)NC2(C)CCCCC2)c1CC	160434825	DZNLRINVUJLNSL-UHFFFAOYSA-N	320.437	2.417	70	20	DEID	
CCCN1CCCN(C(=O)c2cnn(CC(C)C)c2C)CC1	160557704	MEKHUJZRROPAPV-UHFFFAOYSA-N	306.454	2.405	70	20	DEID	
CSCC[C@H](N)C(=O)N[C@@H](C)c1cccc(-n2cccn2)c1	160575848	IEPWNAHLRQHTNQ-WFASDCNBSA-N	318.446	2.130	70	20	DEID	
COc1ccc(NS(=O)(=O)c2cn(CC(C)C)cn2)c(C)n1	160674246	LOKGUMZNJGGYGR-UHFFFAOYSA-N	324.406	2.052	70	20	DEID	
CCNC(=O)COc1ccc(N[C@@H](C)C(=O)OC(C)(C)C)cc1	160725350	QUMRCXKTSMZGJC-LBPRGKRZSA-N	322.405	2.344	70	20	DEID	
CCS(=O)(=O)c1cccc(CC(=O)N2CC[C@H](C)[C@H]2C)c1	160754044	DLMQZGLCHNLXSX-QWHCGFSZSA-N	309.431	2.280	70	20	DEID	
N[C@H]1CCC[C@@H](NC(=O)c2cnc(-c3ccccn3)s2)C1	160763364	WSCLWIAYFSAXGA-WDEREUQCSA-N	302.403	2.205	70	20	DEID	
COC1(C(=O)Nc2ccc(OC(C)C)c(C)c2)CCNCC1	160905356	MYIIKUWIAISVBC-UHFFFAOYSA-N	306.406	2.489	70	20	DEID	
NC(=O)CCCCSc1nnc(NCC(F)(F)F)s1	160986464	NMFZEGRSNQZKBK-UHFFFAOYSA-N	314.358	2.260	70	20	DEID	
CNC(=O)[C@H](C)CN(C)C(=O)c1cccc(OC(F)(F)F)c1	159470791	QDKVQBSTOLPEPV-SECBINFHSA-N	318.295	2.039	70	20	DEID	
Cc1nc2ccccn2c1CN1CCCN(c2cccnn2)CC1	159888402	GBUDJGPLOSKNHD-UHFFFAOYSA-N	322.416	2.145	70	20	DEID	
Cn1c(C(=O)Nc2nc(-c3cccnc3)cs2)cccc1=O	159361124	OEGVMJNNSLEWID-UHFFFAOYSA-N	312.354	2.156	70	20	DEID	
CC[C@H]1CN(C(=O)c2cc3c([nH]c2=O)CCCCC3)C[C@H](C)O1	159776884	DHZJIAAAPGRDRG-JSGCOSHPSA-N	318.417	2.283	70	20	DEID	
CO[C@H](C(=O)Nc1ccc(S(=O)(=O)F)c(F)c1)C(C)C	857674906	UXFOLULEVHUFOZ-NSHDSACASA-N	307.318	2.093	70	20	DEID	
Cc1ccc(NC(=O)C[C@@H]2CCCOC2)cc1S(=O)(=O)F	857673649	HASDWMOUTQREDN-NSHDSACASA-N	315.366	2.408	70	20	DEID	
C[C@H]1CCCC[C@@H]1N(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1120785376	YGAXMUNIYUYZJX-CABZTGNLSA-N	302.371	2.324	70	20	DEID	
C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cccn1C	161403567	WCDPLFBBKWPHAK-LBPRGKRZSA-N	307.394	2.107	70	20	DEID	
CCCc1cc(N[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)n2ncnc2n1	160039409	FCKXLYJEJMYOEO-QEJZJMRPSA-N	313.405	2.446	70	20	DEID	
CCc1c(NS(=O)(=O)CCOC(C)C)cnn1CC(C)C	160354339	LHENHHZWDCYWLF-UHFFFAOYSA-N	317.455	2.268	70	20	DEID	
Cc1conc1NC(=O)C(=O)N(Cc1cccc(F)c1)C1CC1	160385468	QXKUFKUTRRSZMP-UHFFFAOYSA-N	317.320	2.252	70	20	DEID	
O=C(c1c(F)cccc1F)N1CCN(CCOCC2CC2)CC1	160407982	BVLPYKYNXXFDMO-UHFFFAOYSA-N	324.371	2.149	70	20	DEID	
CCOC(=O)N1CCN(C(=O)c2ccnn2C(CC)CC)CC1	160511091	SYAUSZDKPRTWDW-UHFFFAOYSA-N	322.409	2.159	70	20	DEID	
Cn1cnc(-c2ccc(NC(=O)NCCCCCCO)cc2)n1	160686170	MQQYDNALQCWKOQ-UHFFFAOYSA-N	317.393	2.156	70	20	DEID	
O=C(Nc1ccc(N2CCOC2=O)cc1)[C@@H](O)c1ccccc1	160851528	WXWGOVXYJFBCMD-HNNXBMFYSA-N	312.325	2.315	70	20	DEID	
CC(=O)N(Cc1ccc(NC(=O)C2CCNCC2)cc1)C1CC1	160952453	XGWJKICMITWETR-UHFFFAOYSA-N	315.417	2.136	70	20	DEID	
CCCCN1CCc2ccc(NC(=O)[C@H]3CCC(=O)N3)cc21	160974128	LQMNCSMDTJVFES-CQSZACIVSA-N	301.390	2.066	70	20	DEID	
CN(C)C[C@H]1CCN(CC2CCN(C(=O)C(C)(C)C)CC2)C1	159671459	DOEXWYHLXCTIGG-MRXNPFEDSA-N	309.498	2.155	70	20	DEID	
Cc1csc(CNC(=O)c2cc(=O)[nH]c3cc(F)ccc23)n1	159383388	UTGMSNJQHDXINM-UHFFFAOYSA-N	317.345	2.362	70	20	DEID	
CN1CCc2ccc(C(=O)N3CC[C@H](CN4CCCC4)C3)cc21	159393634	DEWZRMUABIIMPU-OAHLLOKOSA-N	313.445	2.237	70	20	DEID	
COc1ccc(N(C)C(=O)c2ccc(C(N)=O)s2)cc1F	159793907	LEUYGSUHJMCFKA-UHFFFAOYSA-N	308.334	2.271	70	20	DEID	
CC(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)F)cc2)n(C)c1	122988285	QKUHWFRVTUUWGG-UHFFFAOYSA-N	324.333	2.138	70	20	DEID	
Cn1cc(COc2ccc(S(=O)(=O)Cl)cc2F)cn1	100500267	HNEODWJYTAVSEU-UHFFFAOYSA-N	304.730	2.066	70	20	DEID	in-vitro
CCC(CC)C(=O)N[C@H]1CCN(c2ccccc2OC)C1=O	161215984	WGIAODIIDAATHX-ZDUSSCGKSA-N	304.390	2.353	70	20	DEID	
Cc1ccc(NC(=O)CN2CCN(c3ccncc3)CC2)cc1C	161291529	QDRRBAFXWQJRPS-UHFFFAOYSA-N	324.428	2.459	70	20	DEID	
COCCCN1CCC(NC(=O)Nc2ccc(C)nc2)CC1	161354778	QBUSBZMZLUWUMU-UHFFFAOYSA-N	306.410	2.012	70	20	DEID	
CCN1CCN(C[C@H](C)CNC(=O)[C@@H](C)c2cccs2)CC1	160118208	JQOJHJIMJQQRFK-CABCVRRESA-N	323.506	2.241	70	20	DEID	
CSC[C@H]1CCCN1C(=O)NCCCC(=O)OC(C)C	160129635	SYJWLJQQIOCFEE-GFCCVEGCSA-N	302.440	2.255	70	20	DEID	
CC(C)C(=O)NCCCNC(=O)N1CCc2cccc(F)c2C1	160287936	BVZSRVLLMUJQTH-UHFFFAOYSA-N	321.396	2.056	70	20	DEID	
CC(C)C(=O)N1CCCN(Cc2cnc3ccccn23)CC1	160430428	PGBHAPXEJOXJBJ-UHFFFAOYSA-N	300.406	2.025	70	20	DEID	
C[C@H](Cn1cc(Br)cn1)NC[C@@H]1CCCC[C@@H]1O	160548263	FRFPZVSWGFASKR-MDZLAQPJSA-N	316.243	2.175	70	20	DEID	
N[C@H](CCC(=O)NCCCOC[C@@H]1CCOC1)c1ccccc1	160583645	VBAWVUDLAFKASG-DOTOQJQBSA-N	320.433	2.026	70	20	DEID	
COc1ccc([C@H](C)NCC(=O)NCC(F)(F)F)c(OC)c1	160604792	GQKVPQPJZPGMFO-VIFPVBQESA-N	320.311	2.033	70	20	DEID	
C[C@@H]1Cc2ccc(F)cc2[C@H]1NCC(=O)NCC(F)(F)F	160630773	ALMFOIGCZGNWKX-OQPBUACISA-N	304.287	2.327	70	20	DEID	
COc1ccccc1S(=O)(=O)N1CCOc2cccc(F)c21	160674121	GBNSFIUODDSQQK-UHFFFAOYSA-N	323.345	2.422	70	20	DEID	
C[C@H](O)[C@H]1CCCN(CC2CCN(C(=O)C(C)(C)C)CC2)C1	160935050	BNNNFNSHQSEKAQ-HOCLYGCPSA-N	310.482	2.364	70	20	DEID	
Cc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc1N	160961591	NYCFUJIZSKXUER-CABCVRRESA-N	324.446	2.005	70	20	DEID	
COC[C@H](NC(=O)NCC(C)(C)[C@@H](O)C(C)C)c1ccco1	159410562	GHSHUWPMEXYVOQ-JSGCOSHPSA-N	312.410	2.309	70	20	DEID	
Cc1cccc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)c1F	159619061	VUINHSRCSWRXIF-UHFFFAOYSA-N	319.336	2.034	70	20	DEID	
CO[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1cccc2c1CCCC2	159881638	PWHFCSSPZABLMF-HZPDHXFCSA-N	316.401	2.188	70	20	DEID	
Cc1noc(C)c1C[C@H](C)NS(=O)(=O)c1ccccc1F	159882769	YXUAVNUMEZCKHC-VIFPVBQESA-N	312.366	2.340	70	20	DEID	
CC(C)CN(CC(N)=O)C(=O)c1cc(C2CC2)n(C(C)(C)C)n1	159706248	JJCVOFQGUXQQDS-UHFFFAOYSA-N	320.437	2.099	70	20	DEID	
CCOC(=O)CN(C)C[C@H](O)COc1ccc(C(C)(C)C)cc1	159517178	VGOPGMZGXIKYSY-HNNXBMFYSA-N	323.433	2.219	70	20	DEID	
C[C@H](O)CN1CCC(CN(C)c2nc3ccccc3o2)CC1	216931595	WCYWIGWMVCBAAN-ZDUSSCGKSA-N	303.406	2.357	70	20	DEID	
CC(C)(C)OCCOC(=O)c1ccc(S(=O)(=O)F)cc1	490538212	YCCHLPYDMIGCAL-UHFFFAOYSA-N	304.339	2.317	70	20	DEID	
CO[C@@H](C)[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)ccc1Cl	1337449320	OXAUPUQWROYRON-SFYZADRCSA-N	323.773	2.151	70	20	DEID	
Cn1cncc1CNC[C@H]1CCCCN1C(=O)OC(C)(C)C	218149178	AZBXPPKTCGHESU-CYBMUJFWSA-N	308.426	2.299	70	20	DEID	
O=C(NC[C@@H]1CC=CCC1)N1CCCN(CC(F)F)CC1	161123772	HUWXNETZGNSSON-CYBMUJFWSA-N	301.381	2.325	70	20	DEID	
CC[C@H](C)OCC(=O)Nc1ccccc1CN1C(=O)CCC1=O	161274240	ILKKMYGLQRTVBP-LBPRGKRZSA-N	318.373	2.089	70	20	DEID	
CC(=O)NC1CCC(NCCN2CCc3sccc3C2)CC1	161346179	DXZDMNQKNLLPTA-UHFFFAOYSA-N	321.490	2.143	70	20	DEID	
CC(C)C(=O)NCCCNC(=O)c1cc(F)cc2cccnc12	161452042	KYQZVLOMPHBJBJ-UHFFFAOYSA-N	317.364	2.266	70	20	DEID	
COc1ccc2nc(C)cc(C(=O)N3CCC[C@@H](O)C3)c2c1	160114362	XCFKGYOVLVWFNE-GFCCVEGCSA-N	300.358	2.149	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)c1cnn(-c2ccccc2)c1C	160123017	AAOWPQZIAIIHTM-GFCCVEGCSA-N	315.373	2.252	70	20	DEID	
CC(=O)N1CCC[C@H](C(=O)Nc2cccc(OCCF)c2)C1	160486339	MVEXXQLAEVXSKG-ZDUSSCGKSA-N	308.353	2.232	70	20	DEID	
O=C1CC[C@H]2CN(C(=O)Nc3cccc(Cl)c3)CC[C@@H]2N1	160700627	HFXLURCSWQGZNC-GWCFXTLKSA-N	307.781	2.472	70	20	DEID	
C[C@@H](O)C[C@@H](CNC(=O)c1ccc2[nH]nnc2c1)c1ccccc1	159402310	HAOAPKDTDQJYIM-DOMZBBRYSA-N	324.384	2.242	70	20	DEID	
CCCNC(=O)CN(CCC)C(=O)c1ccc(N(C)C)cc1F	159805800	KVUJWGWUIBKKNB-UHFFFAOYSA-N	323.412	2.270	70	20	DEID	
C[C@H](CCn1cccn1)Nc1ccccc1OCCC(N)=O	159419434	WOTJMHHIHYWPTM-CYBMUJFWSA-N	302.378	2.028	70	20	DEID	
CCCN(CC)S(=O)(=O)c1c(C)[nH]c(C(=O)OCC)c1C	159502774	FALMLCPNRFLXGG-UHFFFAOYSA-N	316.423	2.229	70	20	DEID	
C[C@@H]1CC(=O)CC[C@@H]1C(=O)NCCN1CCc2ccccc2C1	159760790	DPEIOQGJXSDRBL-KDOFPFPSSA-N	314.429	2.166	70	20	DEID	
O=C([C@H]1CCCCN1)N1CCc2ccc(Br)cc21	159991066	DTDPBKMAZZIHDJ-GFCCVEGCSA-N	309.207	2.480	70	20	DEID	
CC(=O)N1CCCN(C(=O)c2cc3ccccc3nc2C)CC1	218093426	WPRGPUUZJCWSTG-UHFFFAOYSA-N	311.385	2.238	70	20	DEID	
O=C(OCC[C@H]1CCCC1=O)c1ccc(S(=O)(=O)F)cc1	490537162	OHFHTDVNIQLZEO-SNVBAGLBSA-N	314.334	2.261	70	20	DEID	
Cc1ccc(NC(=O)[C@H]2C[C@]23CCOC3)cc1S(=O)(=O)F	857675280	ITIUJWXLYXSGPE-RISCZKNCSA-N	313.350	2.018	70	20	DEID	
Cc1cc(C#N)cnc1C(=O)Nc1ccc(S(=O)(=O)F)cc1	864238830	POHHLNCIZRXJEN-UHFFFAOYSA-N	319.317	2.172	70	20	DEID	
C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cc(S(=O)(=O)F)c[nH]1	1348695325	AXGHJJYFEDCQAN-NRUUGDAUSA-N	314.382	2.466	70	20	DEID	
CCOc1cc(C)ccc1NC(=O)N(C)CCCC(=O)NC	161034879	DNNKHNSPVIGBEG-UHFFFAOYSA-N	307.394	2.384	70	20	DEID	
O=C(N[C@@H]1CCN(c2ccccn2)C1)c1ccc(Cl)cc1O	161212454	CPBMCXMZRDPVDQ-GFCCVEGCSA-N	317.776	2.449	70	20	DEID	
COC[C@@H](O)CCNC(=O)c1cc(-c2ccc(Cl)cc2)on1	161221551	AZVIRURVOYXMMD-LBPRGKRZSA-N	324.764	2.122	70	20	DEID	
COC(=O)[C@H]1C[C@H]1C(=O)N1CC[C@H](Oc2ccccc2Cl)C1	161226347	PHQPDUVITXQLSB-TUAOUCFPSA-N	323.776	2.129	70	20	DEID	
CN(C(=O)Nc1ccccc1S(C)(=O)=O)[C@@H]1CCSC1	160197877	APCKUXQVUOPZAL-SNVBAGLBSA-N	314.432	2.059	70	20	DEID	
COCCOCCN(Cc1ccccc1)C(=O)c1cc(C)on1	160198213	MMNBXOZNVVJHPZ-UHFFFAOYSA-N	318.373	2.288	70	20	DEID	
CCC(CC)(CNC(=O)NC1C[C@H](C)O[C@@H](C)C1)C(=O)OC	160207213	FSJZDLRXBFKGDW-RYUDHWBXSA-N	314.426	2.221	70	20	DEID	
COc1ccc(-c2cc(C(=O)N[C@H](C)[C@@H]3CCOC3)[nH]n2)cc1	160380097	QKRXHCBJJMETKJ-DGCLKSJQSA-N	315.373	2.240	70	20	DEID	
CCC(N)(CC)CNC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1	160478442	WGGXKBMDHJNZPE-HUUCEWRRSA-N	323.481	2.049	70	20	DEID	
CC(C)(O)CNC1CCN(C(=O)c2ccccc2Cl)CC1	160585351	ZFQVRBDVVGPUQA-UHFFFAOYSA-N	310.825	2.305	70	20	DEID	
CCOc1ccccc1[C@@H](C)NCC(=O)NCC(F)(F)F	160607170	QFGQJDQEXNGBBC-SNVBAGLBSA-N	304.312	2.414	70	20	DEID	
CN1CCC(N(Cc2ccco2)C(=O)[C@H]2CCCCO2)CC1	160703375	BITFFJVDOYHCHE-MRXNPFEDSA-N	306.406	2.272	70	20	DEID	
CCc1n[nH]c(-c2ccccc2NC(=O)c2ccc(O)nc2)n1	160916135	BWVMZRACNRVVMJ-UHFFFAOYSA-N	309.329	2.387	70	20	DEID	
COc1c(C(=O)N2CCc3c(F)cccc3C2)c(C)nn1C	160929539	LMNUNFYWHOHVEW-UHFFFAOYSA-N	303.337	2.075	70	20	DEID	
C[C@@H](N1CCN(Cc2cnc3ccccn23)CC1)C(F)(F)F	160963471	ZPIPOHSEFGYUSJ-GFCCVEGCSA-N	312.339	2.403	70	20	DEID	
C[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1CCN(CCc2ccccc2)C1	159996466	DNVFZPKOZSEJIW-NJAFHUGGSA-N	316.445	2.092	70	20	DEID	
CC[C@H](C)CS(=O)(=O)Oc1cccc(C(=O)NC2CC2)c1	159999332	AVZHQLNHDMGACF-NSHDSACASA-N	311.403	2.334	70	20	DEID	
COCC1(C(=O)Nc2ccc(S(=O)(=O)F)cc2)CCCC1	460093493	PCFDGKDNSBUAKZ-UHFFFAOYSA-N	315.366	2.490	70	20	DEID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)c1coc(C2CC2)n1	776910669	SQDFPMOYRXVHRZ-UHFFFAOYSA-N	310.306	2.463	70	20	DEID	
COC[C@@H](NC(=O)c1ccc(S(=O)(=O)F)cc1C)C(C)C	1337326613	VQNNWATYIKVNMY-CYBMUJFWSA-N	317.382	2.054	70	20	DEID	
CC[C@@H](C)OCC(=O)Nc1ccc(C)c(NS(C)(=O)=O)c1	161341311	RCSIUDMUUOHMIW-LLVKDONJSA-N	314.407	2.120	70	20	DEID	
COC(=O)[C@](C)(NCC1CCN(C(=O)C(C)(C)C)CC1)C1CC1	161348744	CLHPNZRCHHPSMF-GOSISDBHSA-N	324.465	2.202	70	20	DEID	
C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cscn1	161441037	WGDZECQLCPCSEC-JTQLQIEISA-N	311.407	2.225	70	20	DEID	
O=C(CCC(=O)NC1CCCC1)NCCc1cccc(F)c1	160237204	MCXQSJSHABJEQM-UHFFFAOYSA-N	306.381	2.323	70	20	DEID	
COc1ccc(NC(=O)NCc2c(C)nn(C)c2OC)cc1	160349460	GLEYSSUZXXYUPG-UHFFFAOYSA-N	304.350	2.067	70	20	DEID	
Cc1cccc2nc(CN3CCC(c4ccn[nH]4)CC3)cc(=O)n12	160540150	OKTOWTCUIDMMKN-UHFFFAOYSA-N	323.400	2.106	70	20	DEID	
COc1ccc(C(=O)N2CCOC[C@@H]2[C@@H]2CCCCC2=O)cc1	160642834	TYZWEPFPTOHIHO-JKSUJKDBSA-N	317.385	2.296	70	20	DEID	
CCNC(=O)c1cc(I)c(F)cc1F	160781630	ODOLSEQAEPJCNX-UHFFFAOYSA-N	311.069	2.319	70	20	DEID	
Cc1noc(CCCC(=O)N2CCc3c(F)cccc3C2)n1	160943782	MWXVDIKPTJJBIA-UHFFFAOYSA-N	303.337	2.425	70	20	DEID	
CCCCN1CCc2ccc(NC(=O)CCn3cncn3)cc21	160968987	MHRKTPLTXVVLOM-UHFFFAOYSA-N	313.405	2.470	70	20	DEID	
Cc1ccc(CCC(=O)NCC(=O)NCC2(C3CC3)CC2)cc1	159870406	BVMXKPXNADOMAX-UHFFFAOYSA-N	314.429	2.350	70	20	DEID	
CC(=O)N1CC[C@H](NC(=O)c2cc(Cl)cc3cccnc23)C1	159514027	NKLPMABAYSOFQK-ZDUSSCGKSA-N	317.776	2.239	70	20	DEID	
NC1(CNC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)CCCCC1	159514836	GBMFQWIPVYWRKM-CYBMUJFWSA-N	319.380	2.029	70	20	DEID	
O=C(NCCc1cscn1)N1CCc2ccccc2CC1	159568440	WMPFTPIKPVAOKR-UHFFFAOYSA-N	301.415	2.496	70	20	DEID	
C[C@@H]1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H]1C	1120866657	VPTPEUREKPMTEI-FXPVBKGRSA-N	302.371	2.227	70	20	DEID	
CSCCNC(=O)c1cc(S(=O)(=O)F)ccc1Cl	1338080659	VLQLJWFYKDBUAW-UHFFFAOYSA-N	311.787	2.091	70	20	DEID	
CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)c1ccc(F)c(F)c1	1339472193	LITVCWOLWOXCPK-UHFFFAOYSA-N	318.276	2.228	70	20	DEID	
Cn1nccc1CNC[C@H]1CCCCN1C(=O)OC(C)(C)C	218240159	QIZJBBBXXKVNKU-CQSZACIVSA-N	308.426	2.299	70	20	DEID	
C[C@@H](CNC(=O)[C@@H](C)N)Sc1ccc(Br)cc1	159654174	WBTTZYXPDCCOLA-DTWKUNHWSA-N	317.252	2.393	70	20	DEID	
CCNc1nc(C(=O)N[C@@H](C)c2nnc3ccccn23)cs1	161030934	XPXSQYDACFCNGD-VIFPVBQESA-N	316.390	2.109	70	20	DEID	
CC[C@@H](C)OCC(=O)Nc1cccc(NC(=O)[C@@H](C)OC)c1	161380944	RMUGAEKCMLSVOE-VXGBXAGGSA-N	308.378	2.414	70	20	DEID	
Cc1ccc(S(=O)(=O)NC[C@@H](O)c2cccc(F)c2)c(C)c1	160033570	NDFVLUIQHNLWGJ-OAHLLOKOSA-N	323.389	2.454	70	20	DEID	
COCCC1(CNC(=O)c2ncn(-c3ccccc3)n2)CCC1	160072015	ODDWLEFSKUDLKJ-UHFFFAOYSA-N	314.389	2.204	70	20	DEID	
CCC(O)(CC)CNS(=O)(=O)Cc1cccc2cccnc12	160215068	KWQYXITUKLKXTJ-UHFFFAOYSA-N	322.430	2.205	70	20	DEID	
CC(C)c1nn(-c2ccccc2)cc1CN1CCC[C@H]1C(N)=O	160305631	SCVVKMAYBOTOIC-INIZCTEOSA-N	312.417	2.445	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)[C@H]1Cc2cc(C)c(C)cc2O1	160326437	IYCVDUOVWUXOKN-SWLSCSKDSA-N	305.374	2.065	70	20	DEID	
COc1ccc([C@@H](C)NCC(=O)NCC(F)(F)F)c(F)c1	160530146	NBYQQFAIDZEGBD-MRVPVSSYSA-N	308.275	2.163	70	20	DEID	
Cc1noc(CN2CCN(C(=O)C3CCC(C)(C)CC3)CC2)n1	160573435	KTAKGIQKMANQCU-UHFFFAOYSA-N	320.437	2.239	70	20	DEID	
Cc1nnnn1-c1cccc(NC(=O)N[C@H](C)C2CCC2)c1	160725170	OBAKETONTQOSPJ-SNVBAGLBSA-N	300.366	2.281	70	20	DEID	
CCNC(=O)c1ccc(C)c(NC(=O)N[C@]2(C)CCOC2)c1	160862154	RCCCODCDWMFILK-MRXNPFEDSA-N	305.378	2.045	70	20	DEID	
CN(C)[C@H](CNC(=O)NOCc1cccnc1)c1cccs1	160999362	PGTGEZKRXFBJRW-CYBMUJFWSA-N	320.418	2.177	70	20	DEID	
COc1ccc(CCCC(=O)NC[C@@H](C)CCO)c(OC)c1	159610820	DXBGVKMCWNGHTR-ZDUSSCGKSA-N	309.406	2.161	70	20	DEID	
C[C@H](CC(=O)N[C@@](C)(C(N)=O)c1ccccc1)c1ccncc1	159830430	SGWKQFJFXMBZDH-FZKQIMNGSA-N	311.385	2.092	70	20	DEID	
CCOC(=O)C(C)(C)n1cc(NC(=O)C2=C(C)OCCC2)cn1	159739264	KVOWIMVLGMUXHH-UHFFFAOYSA-N	321.377	2.204	70	20	DEID	
CC(C)C[C@H](N)C(=O)N1CC[C@H](COCc2ccccc2)C1	161329035	FKEYBEUABAZPRU-IRXDYDNUSA-N	304.434	2.425	70	20	DEID	
O=C(Cn1cc(C2CC2)cn1)Nc1cccc(S(=O)(=O)F)c1	460096878	VBROGJSPFDIYBC-UHFFFAOYSA-N	323.349	2.057	70	20	DEID	
O=C(Nc1cc2c(cn1)CCC2)c1ccc(S(=O)(=O)F)cc1	864241986	RPCUVWLPGCOTRM-UHFFFAOYSA-N	320.345	2.481	70	20	DEID	
CC[C@H](O)CN(Cc1ccccc1)c1cnn(C)c(=O)c1Cl	161023312	PSXBFQMXMFSCGU-ZDUSSCGKSA-N	321.808	2.211	70	20	DEID	
Cc1c(Cl)cccc1NCC(=O)NCC(=O)NC(C)(C)C	161055790	SYQHGPCWEIBNRJ-UHFFFAOYSA-N	311.813	2.091	70	20	DEID	
CC[C@H]1CCCCN1C(=O)[C@@H](C)N(CC)Cc1cnn(C)c1	161071335	MYVSLLHZQPZQJA-ZBFHGGJFSA-N	306.454	2.422	70	20	DEID	
CC(C)CN1CCC[C@@H](CNc2cnn(C)c(=O)c2Cl)C1	161316455	WHFIMWQIEGUZEV-LBPRGKRZSA-N	312.845	2.214	70	20	DEID	
COc1ccc2nc(C)cc(C(=O)N3CCC[C@H](O)C3)c2c1	160114196	XCFKGYOVLVWFNE-LBPRGKRZSA-N	300.358	2.149	70	20	DEID	
Cc1cccc(C(=O)N2CCN(Cc3ccccn3)CC2)c1F	160189208	WLOQUKCREZGEFX-UHFFFAOYSA-N	313.376	2.487	70	20	DEID	
Cc1ccc(CS(=O)(=O)CCCCS(C)(=O)=O)cc1C	160326933	ZHPJORMSXYBVLK-UHFFFAOYSA-N	318.460	2.043	70	20	DEID	
O=C(NC1CCN([C@@H]2CCCC[C@H]2O)CC1)c1ccsc1	160551783	INUMCPKWEJFVIZ-HUUCEWRRSA-N	308.447	2.246	70	20	DEID	
CCOc1cccc2c1OCC(C(=O)N[C@H](CO)CC(C)C)=C2	160742841	BMVWQTOKHFFUHZ-HNNXBMFYSA-N	319.401	2.384	70	20	DEID	
CCc1ccc([C@H](CO)Nc2cnn(C)c(=O)c2Cl)cc1	160892524	NSOGQAKSVUODAW-ZDUSSCGKSA-N	307.781	2.142	70	20	DEID	
C[C@@H](CNc1ccccc1)NC(=O)NCCc1cscn1	159462460	LZLLQIQXBCYPLR-LBPRGKRZSA-N	304.419	2.485	70	20	DEID	
Cc1ccc(CNC(=O)c2cccc3c2oc(=O)n3C)s1	159932638	OQEUFYNSRLOTAG-UHFFFAOYSA-N	302.355	2.431	70	20	DEID	
COCc1ccc(CNc2cccc(NS(C)(=O)=O)c2)o1	159544064	UJIWFJKKPISRKF-UHFFFAOYSA-N	310.375	2.410	70	20	DEID	
CCC[C@@H](CCO)CNC(=O)[C@H]1CC(c2cccc(F)c2)=NO1	159362830	WIIURMBPKMMZAW-BLLLJJGKSA-N	322.380	2.234	70	20	DEID	
CC1(C)C[C@H](NC(=O)c2cnc(C(F)(F)F)nc2)CCO1	159381398	YHBPPXGOGHLINQ-SECBINFHSA-N	303.284	2.183	70	20	DEID	
Cc1nccn1-c1ccc(NC(=O)[C@H](O)c2ccccc2)cn1	159774104	ZCMRTEAMERKVGU-MRXNPFEDSA-N	308.341	2.248	70	20	DEID	
CC(C)N1C[C@H](NC(=O)NCCc2ccccc2Cl)CC1=O	217289221	VUIUWBSNCLRJTI-CYBMUJFWSA-N	323.824	2.191	70	20	DEID	
O=C(Nc1cccc(S(=O)(=O)F)c1)c1cncc(Cl)n1	460087597	BAFIKNJTTOPSSI-UHFFFAOYSA-N	315.713	2.041	70	20	DEID	
N[C@H]1CC[C@H](C(=O)N2CC[C@H](COCc3ccccc3)C2)C1	161323683	JOYIZHUQZNVUOT-ULQDDVLXSA-N	302.418	2.179	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)c1ccc(-c2nnc(C)o2)cc1	160112117	KMVMVTGOTLBEIS-SNVBAGLBSA-N	317.345	2.117	70	20	DEID	
C[C@H](Oc1ccccc1Cl)C(=O)N1C[C@@H]2CCC[C@H](C1)N2	160306940	NQFMRMAVRWDIOM-RWMBFGLXSA-N	308.809	2.460	70	20	DEID	
CC[C@H](NC(=O)CNC(=O)CC(C)(C)C)c1c(C)noc1C	160309351	JDVNVVFOGHIKNT-LBPRGKRZSA-N	309.410	2.411	70	20	DEID	
O=C(COC[C@@H]1CCCO1)N[C@H]1CCOC2(CCCCC2)C1	160432241	YDDIMXLUUFODOA-GJZGRUSLSA-N	311.422	2.180	70	20	DEID	
CC[C@H](C)CN(CC)[C@@H](C)C(=O)N1CCC(C(=O)OC)CC1	160529902	BTPCCNGIQFZLBR-KBPBESRZSA-N	312.454	2.155	70	20	DEID	
O=C1CC[C@H]2CN(C(=O)Cc3cccc(Cl)c3)CC[C@H]2N1	160587115	HYKZDWYLFQCKLC-GXTWGEPZSA-N	306.793	2.010	70	20	DEID	
CC(=O)c1cccc(O[C@H](C)C(=O)N2C[C@@H]3CCC[C@H](C2)N3)c1	160642042	IIQZGCUIPGNGER-BMFZPTHFSA-N	316.401	2.009	70	20	DEID	
CC(=O)c1ccccc1NC(=O)Cn1cnc(C(C)C)cc1=O	160860357	SPTKXNOMDBOJKS-UHFFFAOYSA-N	313.357	2.208	70	20	DEID	
CC(C)c1cc(=O)n(CC(=O)NCc2cccc(Cl)c2)cn1	160892792	JCQIYQJQYGASMR-UHFFFAOYSA-N	319.792	2.337	70	20	DEID	
COCCOC[C@H]1CCN(C(=O)C[C@@H](C)c2ccncc2)C1	160895660	RGBGVFLMOYELGT-CABCVRRESA-N	306.406	2.087	70	20	DEID	
CCOc1ccccc1CNC(=O)CNC(=O)CC1CCCC1	160914932	TZMGWVDCAWJWIZ-UHFFFAOYSA-N	318.417	2.398	70	20	DEID	
CC(C)NC(=O)CNC1CCN(Cc2ccccc2Cl)CC1	160931351	DWRQBDSHIFQCOD-UHFFFAOYSA-N	323.868	2.419	70	20	DEID	
Cc1c(C(=O)N[C@H]2c3ccccc3C[C@@H]2O)cnn1C(C)(C)C	159807992	GTXCRMWHYRDPIB-HOTGVXAUSA-N	313.401	2.335	70	20	DEID	
Cc1nccc(NC(=O)NC[C@H]2CC(=O)N(C3CC3)C2)c1Cl	159413132	FLWFYGWKXFGNEQ-SNVBAGLBSA-N	322.796	2.176	70	20	DEID	
Cc1nccn1C[C@H](C)CNC(=O)c1ccc(N(C)C)cc1F	159620274	ITXCZCGMGDXXAK-GFCCVEGCSA-N	318.396	2.463	70	20	DEID	
CS(=O)(=O)c1ccc(Cl)c(NC(=O)[C@H]2CCCCO2)c1	159685865	GTXHYNGRLUCIMP-GFCCVEGCSA-N	317.794	2.251	70	20	DEID	
Cc1nc(CCNC(=O)N(CCN(C)C)C(C)C)sc1C	159712222	JGLFTMNIQXYSRX-UHFFFAOYSA-N	312.483	2.284	70	20	DEID	
Cc1cc(NC(=O)c2ccc(C(=O)NC(C)C)cc2)nn1C	159552349	YJEFFBWJSVMJHC-UHFFFAOYSA-N	300.362	2.119	70	20	DEID	
O=C(CCCNC(=O)c1cccnc1)NC1CCCCCC1	159555274	RIMDZJSLTULQJJ-UHFFFAOYSA-N	303.406	2.431	70	20	DEID	
CCOc1cc(C)ccc1NC(=O)C(=O)N[C@@H]1CCC[C@H]1OC	159761785	ACCILNCKMKCRJD-TZMCWYRMSA-N	320.389	2.016	70	20	DEID	
O=C(N[C@H]1CCCc2occc21)N[C@@H]1CCc2[nH]ncc2C1	159771412	AGJRSUZOZNTKDW-RISCZKNCSA-N	300.362	2.237	70	20	DEID	
CCCNC(=O)Nc1ccc(CC(=O)N2CCOC[C@@H]2C)cc1	159979067	DLWYFVBDURJSBN-ZDUSSCGKSA-N	319.405	2.008	70	20	DEID	
CC(C)CCNC(=O)NCCCN1C(=O)c2ccccc2C1=O	217306278	QAEYHKZTXCTDAA-UHFFFAOYSA-N	317.389	2.018	70	20	DEID	
Cc1cc(=NC(=O)c2cccc(S(=O)(=O)F)c2)c(C)c[nH]1	1338389064	FSWSDUAVNFULBD-UHFFFAOYSA-N	308.334	2.031	70	20	DEID	
CC1(C)CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1521437021	BEXMTZVIWUNVCO-SECBINFHSA-N	302.371	2.229	70	20	DEID	
Cc1cc(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)ncn1	161225161	IGDJMBFKZXXXDU-HNNXBMFYSA-N	314.389	2.335	70	20	DEID	
Cc1nc(COC(=O)CCS(=O)(=O)CC(C)C)c(C)s1	160344186	MVIZUIYJXAFHHS-UHFFFAOYSA-N	319.448	2.264	70	20	DEID	
Cn1cc(NC(=O)c2ccc([S@@](C)=O)cc2)cc(Cl)c1=O	160496356	ZMLJBTRJCVARPT-NRFANRHFSA-N	324.789	2.028	70	20	DEID	
CCN(CC)S(=O)(=O)N(Cc1cccc(O)c1)CC1CC1	160520968	IGNHTFLTQWMNIU-UHFFFAOYSA-N	312.435	2.191	70	20	DEID	
CN[C@@H]1CCN(C(=O)c2ccc(OC3CCCC3)c(OC)c2)C1	160616538	SADIDGOIWPWPHF-CQSZACIVSA-N	318.417	2.451	70	20	DEID	
COC(=O)CN(C(=O)c1ccc2[nH]ncc2c1)C1CCCC1	160782441	PXQRHWXBQIOKTH-UHFFFAOYSA-N	301.346	2.121	70	20	DEID	
N[C@@H]1CCC[C@H](NC(=O)CCc2nc(-c3cccs3)no2)C1	160899006	HCHWDCKBKPXSOV-MNOVXSKESA-N	320.418	2.117	70	20	DEID	
CCOC(=O)CCCS(=O)(=O)N1CC[C@@H](C)C[C@H](C)C1	159692957	SSLGPXBPBVTXIJ-OLZOCXBDSA-N	305.440	2.028	70	20	DEID	
CC(C)NC(=O)c1ccc(C(=O)N2C[C@@H](C)OC[C@H]2C)cc1	159751489	VIGIBROHXWOASI-CHWSQXEVSA-N	304.390	2.074	70	20	DEID	
CO[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1cc(F)ccc1Cl	159974523	VPCWIEWTUSJULD-ZYHUDNBSSA-N	314.744	2.101	70	20	DEID	
Cc1ccc(N2CC[C@@H](SCCN3CCOCC3)C2=O)cc1	159999943	SZRQFRQMLUKVNC-MRXNPFEDSA-N	320.458	2.166	70	20	DEID	
COCCN(CCCS(=O)(=O)C(C)C)Cc1ccccc1	160518556	TULISGZGRRLCNN-UHFFFAOYSA-N	313.463	2.348	70	20	DEID	
Cc1cnc(NC(=O)c2cccc(S(=O)(=O)F)c2)s1	1120784665	AJTVASRYKQXMDF-UHFFFAOYSA-N	300.336	2.362	70	20	DEID	
O=C(Cc1ccc(S(=O)(=O)F)cc1)NC1(C2CCC2)CC1	1337610346	BNQVPCFOHXCRRJ-UHFFFAOYSA-N	311.378	2.336	70	20	DEID	
Cc1noc(C)c1CNS(=O)(=O)Cc1c(F)cccc1F	161200234	VMRFBIKIOPYKKK-UHFFFAOYSA-N	316.329	2.189	70	20	DEID	
CC(C)C[C@H](CO)NC(=O)c1ccc(OC2CCOCC2)cc1	161270691	PYSFVAGDCBUZGH-OAHLLOKOSA-N	321.417	2.381	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)CCc1ccc(OC)c(F)c1	160010602	MKLCVRIAMVPLTI-NSHDSACASA-N	311.353	2.225	70	20	DEID	
Cc1nc(CC(=O)NCCNC(=O)CC2CCCC2)c(C)s1	160049618	QAFJVZLXWWLYFJ-UHFFFAOYSA-N	323.462	2.115	70	20	DEID	
Cc1ccc(NC(=O)C(=O)NCCO[C@H]2CCCC[C@H]2C)cn1	160097400	BTIRLRULMDOJBT-DOMZBBRYSA-N	319.405	2.040	70	20	DEID	
Cc1nn(CC(=O)NCCc2cccc(O)c2)c(C)c1Cl	160190545	UUBWFDYDUSGUPU-UHFFFAOYSA-N	307.781	2.218	70	20	DEID	
COc1c(CNC(=O)Nc2ccc(C(C)=O)cc2)c(C)nn1C	160344666	FYILOWYCNIPRJZ-UHFFFAOYSA-N	316.361	2.261	70	20	DEID	
CCCN(CCN(CC)CC)C(=O)Nc1ccc(C(N)=O)cc1	160536419	NTPNKCPUZFAPRI-UHFFFAOYSA-N	320.437	2.371	70	20	DEID	
C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)NCC(C)(C)O	160583749	WDHQFLIGDVKGKA-GFCCVEGCSA-N	312.841	2.438	70	20	DEID	
CC(C)c1ccc(C(=O)NC[C@@H](O)CN2CCCCC2)cc1	160654848	SQYLHYWWBMDLIP-QGZVFWFLSA-N	304.434	2.387	70	20	DEID	
O=C(CCc1ccoc1)NC1CCN([C@H]2CCCC[C@H]2O)CC1	160655696	ZTDDBXUGKBHNGG-DLBZAZTESA-N	320.433	2.096	70	20	DEID	
CCCCOCCNC(=O)Nc1cc(C(=O)OC)cs1	160672727	DQHKDOPWJRKQPN-UHFFFAOYSA-N	300.380	2.473	70	20	DEID	
COCCCCCNC(=O)NC[C@](C)(O)c1ccc(F)cc1	160777460	AMASSTFYYSIKBH-INIZCTEOSA-N	312.385	2.149	70	20	DEID	
CN1CCC(CNC(=O)COc2ccc3c(c2)CCCC3)CC1	159913246	XIRAAQXGKFUZKO-UHFFFAOYSA-N	316.445	2.402	70	20	DEID	
O=C1[C@@H](Sc2nnc(C3CC3)[nH]2)CCCN1CC(F)(F)F	159537738	WAOOATHZXNBKFC-QMMMGPOBSA-N	320.340	2.328	70	20	DEID	
Cn1nc2c(cc1=O)CN(C(=O)C[C@@H]1CCCCC1(C)C)CC2	159379380	GZYALMUBWVJSPA-AWEZNQCLSA-N	317.433	2.272	70	20	DEID	
O=C(Nc1cc(F)ccc1OC[C@@H]1CCCO1)C1CCNCC1	159379525	DETCVYUBBKYHPI-AWEZNQCLSA-N	322.380	2.322	70	20	DEID	
CS[C@H]1CCC[C@@H](NC(=O)C2(N)Cc3ccccc3C2)C1	159571529	WCKBNIBNGHSIQY-CABCVRRESA-N	304.459	2.273	70	20	DEID	
N#Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)F)cc2)c1	185105698	JOOJMCRMLLQLDB-UHFFFAOYSA-N	304.302	2.469	70	20	DEID	
CSc1ccc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)nc1	1123615857	AEPBDGDPAQNEBT-UHFFFAOYSA-N	315.351	2.042	70	20	DEID	
O=C(O)c1cc(S(=O)(=O)F)cc(Br)c1Cl	238856327	VMQVTDCBAFCDHL-UHFFFAOYSA-N	317.519	2.459	70	20	DEID	
Cc1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)ncn1	161172724	KOEKTEPMTGEUKW-UHFFFAOYSA-N	310.401	2.179	70	20	DEID	
Cc1cc(C[C@@H](C)NC(=O)Nc2cnn(C(C)(C)C)c2)n[nH]1	161290837	KXLBBSRQRBEHAL-SNVBAGLBSA-N	304.398	2.422	70	20	DEID	
COCc1nc2n(n1)C[C@H](Nc1nc3ccccc3nc1C)CC2	161350677	QJBYRIIGIBMGET-GFCCVEGCSA-N	324.388	2.103	70	20	DEID	
CC(C)(C)OC(=O)N[C@@H]1CCN(CCCN2CCCCC2)C1	161351304	XHHYUOUQDRKXMD-OAHLLOKOSA-N	311.470	2.461	70	20	DEID	
O=C(C[C@H]1CCc2ccccc21)NC[C@@H](O)CN1CCCCC1	160178161	FCMJOLAFQPDVTH-IAGOWNOFSA-N	316.445	2.070	70	20	DEID	
COc1cccc(/C=C/C(=O)NC[C@@H](C)CO)c1OC(F)F	160423116	XMUQRNCJDFITFW-VQCYPWCPSA-N	315.316	2.054	70	20	DEID	
COC(=O)C[C@H](C)C(=O)NC[C@@H](Nc1ccccc1)C(C)C	160569979	XLJOAYRXATUTLK-DZGCQCFKSA-N	306.406	2.439	70	20	DEID	
O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)N(CCO)CC1CC1	160673762	MRXBZBLYBWZHFV-DLBZAZTESA-N	318.417	2.321	70	20	DEID	
COC[C@H](NC(=O)Nc1cc(C(=O)OC)cs1)C(C)C	160721941	GQKVYZPLELDBPV-JTQLQIEISA-N	300.380	2.327	70	20	DEID	
CC[C@@H]1COCCN1C(=O)NC[C@H]1CCCCN1CC(C)C	160931340	QHSWOFOWHFEDKM-HZPDHXFCSA-N	311.470	2.317	70	20	DEID	
CO[C@]1(C)C[C@@H](NC(=O)c2cccc3[nH]c(=O)oc23)C1(C)C	159525754	ZWYDMDJECPNBHN-BDJLRTHQSA-N	304.346	2.055	70	20	DEID	
CC(C)CNC(=O)[C@@H](C)Nc1ccccc1O[C@@H]1CCOC1	159923541	OMSDOUVKNVCLCM-ZIAGYGMSSA-N	306.406	2.427	70	20	DEID	
CCO[C@H]1C[C@@H](NC(=O)N2CCCN(CC)CC2)C12CCCC2	159928272	VVNPNKLEPABSSN-CVEARBPZSA-N	323.481	2.461	70	20	DEID	
CN(C)C(=O)CSc1nnc(-c2cccc(Cl)c2)n1C	159758482	NVNIPDZXXMQWMC-UHFFFAOYSA-N	310.810	2.316	70	20	DEID	
CN(C(=O)NC[C@@H]1CCCS1)[C@H]1CCCc2c1cnn2C	159584082	RVVWTSADSWCLNK-AAEUAGOBSA-N	308.451	2.335	70	20	DEID	
COCCC1(C(=O)Nc2ccc(C)c(S(=O)(=O)F)c2)CC1	857675718	YSAZJPSOXOLKMT-UHFFFAOYSA-N	315.366	2.408	70	20	DEID	
O=C(NCC[C@H]1C[C@H]2CC[C@H]1C2)c1cc(S(=O)(=O)F)c[nH]1	1336413762	QETXJLSLXRBKIC-DCAQKATOSA-N	314.382	2.229	70	20	DEID	
COC(=O)C(C)(C)c1ccc(NC(=O)[C@H]2CC[C@@H](N)C2)cc1	161040515	HSMWSTFUCIWIHP-WCQYABFASA-N	304.390	2.203	70	20	DEID	
CN(CCCCS(C)(=O)=O)CCOc1ccc(Cl)cc1	161180718	DHKPDPSUULSTCB-UHFFFAOYSA-N	319.854	2.475	70	20	DEID	
O=C(c1csnn1)N1CCN(Cc2ccccc2Cl)CC1	161352729	IYHIGPLCTLUJJW-UHFFFAOYSA-N	322.821	2.150	70	20	DEID	
O=C(CNC(=O)c1ccc2c(c1)CCC2)NCC1(C2CC2)CC1	160174472	IYMMYIGSCQQCPW-UHFFFAOYSA-N	312.413	2.212	70	20	DEID	
CSC[C@H](CCO)N[C@H](C)c1cccc(N2CCOC2=O)c1	160262166	JCULFYSCXLOXLU-OCCSQVGLSA-N	324.446	2.408	70	20	DEID	
CC1(C)CN(C(=O)c2ccnc(OCC(F)(F)F)c2)CCO1	160358138	VLTRDFCJLVWBKZ-UHFFFAOYSA-N	318.295	2.274	70	20	DEID	
Cc1nc(Cc2ccccc2)sc1C(=O)N(C)[C@H](C)CO	160525354	IWQVBENFNNGDLQ-LLVKDONJSA-N	304.415	2.495	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)c1cc2ccccc2c(OC)n1	160600875	NVDAHCHIQDHSJB-LLVKDONJSA-N	316.357	2.315	70	20	DEID	
CN[C@H]1CCN(C(=O)C[C@@H]2CCCc3cc(OC)ccc32)C1	160669408	MSZZLURFJCUCCP-GJZGRUSLSA-N	302.418	2.326	70	20	DEID	
COC[C@@H](NC(=O)NCC(C)(C)[C@H](O)C(C)C)c1ccco1	159410983	GHSHUWPMEXYVOQ-TZMCWYRMSA-N	312.410	2.309	70	20	DEID	
Cc1ccc2c(c1)N(CCN1C(=O)NC3(CCCC3)C1=O)CC2	159817097	PMOMHFBJVBRQNP-UHFFFAOYSA-N	313.401	2.222	70	20	DEID	
CC[C@H](C)OCC(=O)Nc1cc(C(=O)N(C)C)ccc1OC	159826450	GLRYANJZPGPDEL-NSHDSACASA-N	308.378	2.151	70	20	DEID	
CCOC(C)(C)CNC[C@H](O)COc1ccccc1Cl	159398469	WSJYNFKMDVAZJT-LBPRGKRZSA-N	301.814	2.484	70	20	DEID	
N[C@@H]1CCC[C@@H](NC(=O)Cc2cccc(Br)c2)C1	160885358	OIWPCEVIQJHKHY-CHWSQXEVSA-N	311.223	2.378	70	20	DEID	
N[C@@H]1CCC[C@H](NC(=O)Cc2ccccc2Br)C1	160890109	PVSKNNYGTPKNKI-NEPJUHHUSA-N	311.223	2.378	70	20	DEID	
O=C(Nc1cnn(C(F)F)c1)c1cccc(S(=O)(=O)F)c1	1338251816	ZKDVSFLFGUNHKI-UHFFFAOYSA-N	319.264	2.189	70	20	DEID	
CNC[C@@H]1CCCN1C(=O)CCSc1ccc(OC)cc1	161158464	LMRCWXGZVLCBFG-ZDUSSCGKSA-N	308.447	2.388	70	20	DEID	
N[C@@H]1CCC[C@H](NC(=O)c2cccnc2N2CCCCC2)C1	161218497	QUWNFRCWDCHWSI-KGLIPLIRSA-N	302.422	2.072	70	20	DEID	
Cc1conc1NC(=O)C(=O)N1CC[C@@H](Cc2ccccc2)C1	161381539	WOVRRILFINRFCW-AWEZNQCLSA-N	313.357	2.013	70	20	DEID	
CC(C)(C(=O)NN1CCOCC1)c1cccc(C(F)(F)F)c1	161447105	JNGOUMCLKVZDAO-UHFFFAOYSA-N	316.323	2.346	70	20	DEID	
Cc1nn(C)c(=O)c(C(=O)NCC(C)(C)C2CCCC2)c1C	160010313	NBODDCOOYSIHML-UHFFFAOYSA-N	305.422	2.343	70	20	DEID	
Cc1cccc2c1N(C(=O)CCOc1cccc(C(N)=O)c1)CC2	160085764	GSQXYKAVDLQJDC-UHFFFAOYSA-N	324.380	2.452	70	20	DEID	
COc1cccc2c1CC[C@@H]2NC(=O)CNC(=O)CCC(C)C	160206756	ULFQQNPRDIVKGR-HNNXBMFYSA-N	318.417	2.351	70	20	DEID	
COC(=O)Cc1cccc(NC(=O)c2cc(N(C)C)ccn2)c1	160491605	OUYHRGUCHIVWLL-UHFFFAOYSA-N	313.357	2.115	70	20	DEID	
COC(=O)c1cccc2c1CCCN2C(=O)[C@@H]1CCCCO1	160618202	RRCCQCCPOORWPC-HNNXBMFYSA-N	303.358	2.322	70	20	DEID	
O=C(CC[C@@H]1CCCO1)Nc1ccc(S(=O)(=O)F)c(F)c1	857674227	GARXZLDVVGRRQB-JTQLQIEISA-N	319.329	2.382	70	20	DEID	
CO[C@H](CNC(=O)c1ccc(S(=O)(=O)F)cc1)CC(C)C	864244325	RZAQIRJUHCUJAN-LBPRGKRZSA-N	317.382	2.136	70	20	DEID	
O=C(c1cccc(S(=O)(=O)F)c1)N1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1	1121185670	USFTTZYLFLTIQN-UOVKNHIHSA-N	323.389	2.463	70	20	DEID	
CCCN(Cc1cnc2ccc(C)cn12)[C@@H]1CCS(=O)(=O)C1	161122026	JKVKTVXKGFHYMU-CQSZACIVSA-N	321.446	2.042	70	20	DEID	
CC1(C)C[C@@H](NC(=O)NCCc2nc3ccccc3[nH]2)CCO1	161328426	MYDPTNKQHWWLKN-LBPRGKRZSA-N	316.405	2.362	70	20	DEID	
COCc1ccc([C@@H]2CCCN2C(=O)COC[C@@H]2CCCO2)o1	161334324	OVTMRYLKIRWPSZ-ZFWWWQNUSA-N	323.389	2.285	70	20	DEID	
CC(C)NC(=O)c1ccc(C(=O)N(C)[C@@H]2CCSC2)cc1	161467293	OHEBFTHZVZJDOI-CQSZACIVSA-N	306.431	2.402	70	20	DEID	
CC(C)CNC(=O)N1CCC[C@@H](C(=O)N2[C@@H](C)CC[C@H]2C)C1	161509284	MHYHAVJXOWTMEI-QLFBSQMISA-N	309.454	2.463	70	20	DEID	
Cc1cc(C(=O)N2CSC[C@@H]2C(=O)NC(C)(C)C)oc1C	160204336	CVSDFXNONIRCGE-LLVKDONJSA-N	310.419	2.326	70	20	DEID	
CN(Cc1ccccc1N1CCOCC1)C(=O)[C@@H]1CCCCO1	160267499	KCXJNQWKJLYIHB-KRWDZBQOSA-N	318.417	2.051	70	20	DEID	
O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)N[C@H]1CCCC[C@@H]1O	160271795	FAZAURKIGYNFDI-PMPSAXMXSA-N	320.389	2.279	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)c1cnc(-c2ccccn2)s1	160498954	XAZPQCGHJHKBNQ-JTQLQIEISA-N	319.386	2.277	70	20	DEID	
Cc1ccc(C(=O)N2CCO[C@@H](C)[C@H]2C)c(Br)n1	159682202	WRBRLDIVGHOBPO-ZJUUUORDSA-N	313.195	2.402	70	20	DEID	
Cc1ccc(C(=O)CCN2CCN(C3CCOCC3)CC2)cc1	159970938	YEIZQIOXMCCVHU-UHFFFAOYSA-N	316.445	2.364	70	20	DEID	
CC(C)(C)OC(=O)N1CC[C@]2(CCN(c3cnccn3)C2)C1	159998789	AAFYABTWWHZODQ-INIZCTEOSA-N	304.394	2.314	70	20	DEID	
Cc1nc2ccc(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)cc2[nH]1	1346928798	GHNDMTDNCRQCGM-UHFFFAOYSA-N	322.321	2.110	70	20	DEID	
COC1([C@@H](C)NC(=O)c2cccc(S(=O)(=O)F)c2)CCC1	1121185498	RIKUNYBDSQMQIT-SNVBAGLBSA-N	315.366	2.032	70	20	DEID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N(C)[C@@H]1CCSC1	1338030159	VHOCOGVTWGKZOQ-SNVBAGLBSA-N	317.407	2.231	70	20	DEID	
CC[C@H](CNC(=O)[C@@H](C)N)Cc1cccc(Br)c1	161224045	WNJXOOUEAIIRRS-MNOVXSKESA-N	313.239	2.481	70	20	DEID	
COC[C@@H](O)CCNC(=O)c1ccsc1-n1c(C)ccc1C	161327975	ZLQNWTBUZIPETJ-ZDUSSCGKSA-N	322.430	2.283	70	20	DEID	
COCCOc1cc(NC(=O)[C@@]2(C)CCCNC2)ccc1OC	161377238	OASXXPCHAGQBLA-KRWDZBQOSA-N	322.405	2.049	70	20	DEID	
COC(=O)c1sccc1S(=O)(=O)NCC1(C2CC2)CC1	160186365	HUGZXQKJVABUGV-UHFFFAOYSA-N	315.416	2.003	70	20	DEID	
COCCOc1cccc(NC(=O)[C@@H]2CCn3ccnc3C2)c1	160123616	TUXMJAGIFZQLQF-CYBMUJFWSA-N	315.373	2.109	70	20	DEID	
CC(=O)Nc1cccc([C@@H](C)NC(=O)N2CCC[C@](C)(O)C2)c1	160184979	UZRTZUADTWFMPQ-PXAZEXFGSA-N	319.405	2.262	70	20	DEID	
COc1ccncc1NC(=O)c1cnn(C2CCOCC2)c1C	160452055	KGBHAJJLRXKJDU-UHFFFAOYSA-N	316.361	2.199	70	20	DEID	
CC(C)n1ncc2c(C(=O)NC[C@@H](C)CO)cc(C3CC3)nc21	160518166	PUZZQHAIFJBBEZ-LLVKDONJSA-N	316.405	2.248	70	20	DEID	
CC[C@H](C)CN(CC)[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1	160526555	UTSJRMYUNBJJIS-STQMWFEESA-N	305.422	2.481	70	20	DEID	
CSCC[C@@H](N)C(=O)NC[C@H](O)c1ccc(C(C)(C)C)cc1	160973281	OGIIBEAWMQPSGI-CABCVRRESA-N	324.490	2.214	70	20	DEID	
C[C@@H]1CC(=O)CC[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1	159416582	WTXGRGHODDKAFM-TZMCWYRMSA-N	324.421	2.071	70	20	DEID	
CCN(CCOc1ccc(Br)cc1)[C@@H](C)C(N)=O	159654703	OBLMSMSHPDWBDK-JTQLQIEISA-N	315.211	2.024	70	20	DEID	
NC(=O)Nc1cccc(C(=O)NC[C@H]2[C@H]3c4ccccc4C[C@H]32)c1	159872104	JDGXPCZLANYSJD-BBWFWOEESA-N	321.380	2.493	70	20	DEID	
CCN1CCCN(C(=O)NC[C@H](C)Oc2cccc(F)c2)CC1	159916975	HLHGAGWYMZFOTH-AWEZNQCLSA-N	323.412	2.330	70	20	DEID	
Cc1cnccc1CCNC(=O)NC1CCN(C(C)(C)C)CC1	159738315	NOHLIMLRMLLTJK-UHFFFAOYSA-N	318.465	2.495	70	20	DEID	
O=C(C[C@H]1CCCN1)N1CC[C@@H](COCc2ccccc2)C1	161328247	ONDMTEFUPTYBKQ-IAGOWNOFSA-N	302.418	2.194	70	20	DEID	
O=C(CC[C@H]1CCCO1)Nc1ccc(S(=O)(=O)F)c(F)c1	857674228	GARXZLDVVGRRQB-SNVBAGLBSA-N	319.329	2.382	70	20	DEID	
CCC[C@]1(NC(=O)c2ccc(S(=O)(=O)F)cc2)CCOC1	865210833	QMDZOEIRLCYPKF-AWEZNQCLSA-N	315.366	2.034	70	20	DEID	
C[C@@H]1CN(C(=O)Cc2ccc(S(=O)(=O)F)cc2)[C@H](C)[C@@H]1C	1518248515	JOZWKSPKLAUJKX-IJLUTSLNSA-N	313.394	2.390	70	20	DEID	
O=C(Nc1nnc(C2CC2)s1)c1cccc(-c2ncn[nH]2)c1	161036943	XMKCCGFUUMSIKC-UHFFFAOYSA-N	312.358	2.453	70	20	DEID	
NC(=O)C1(NCc2noc(-c3ccsc3)n2)CCCCC1	161109372	NTXUTJGTNQQFME-UHFFFAOYSA-N	306.391	2.076	70	20	DEID	
C[C@H]1OCCN(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)[C@@H]1C	161308942	GFVQYOZAGPAJLE-VXGBXAGGSA-N	315.377	2.123	70	20	DEID	
COCCCOc1ccccc1NC(=O)N1CCC[C@](C)(O)C1	160002123	RBMNCHBWAFSLJW-KRWDZBQOSA-N	322.405	2.481	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)c1csc(-c2ccoc2)n1	160165385	ROUVVIJXAAZGRL-VIFPVBQESA-N	308.359	2.475	70	20	DEID	
Cn1cnnc1Sc1ccccc1NC(=O)[C@@H]1CCCCO1	160453456	ZEIXLWGNJVKQJB-LBPRGKRZSA-N	318.402	2.474	70	20	DEID	
O=C1CC[C@@H]2CN(C(=O)Cc3ccccc3Cl)CC[C@H]2N1	160638313	ORZGRTFOQQWXDG-TZMCWYRMSA-N	306.793	2.010	70	20	DEID	
COC(=O)C1(NC(=O)c2cncc(OC(C)C)c2)CCCC1	160655313	SNGXPVUZVUNXPV-UHFFFAOYSA-N	306.362	2.084	70	20	DEID	
Cc1cc(NC(=O)c2cccc(NC(=O)C3CC3)c2)c[nH]c1=O	159415572	NLSCRUBJNUQOQO-UHFFFAOYSA-N	311.341	2.284	70	20	DEID	
COc1ccc(C(=O)N[C@H]2CCN(C(C)=O)C2)c2ccccc12	159694612	YCRDEEHIBGEJGD-ZDUSSCGKSA-N	312.369	2.199	70	20	DEID	
C[C@@H](c1cccs1)N(C)C(=O)NC[C@H]1CCCS1(=O)=O	159891022	RJJOQGXPKKCEGY-WDEREUQCSA-N	316.448	2.028	70	20	DEID	
C[C@@H](C(=O)Nc1ccccc1Br)N(C)C[C@@H](C)O	159525601	HGXCVPWYFYRRRT-ZJUUUORDSA-N	315.211	2.089	70	20	DEID	
COc1cccc2c1CC[C@H]2NC(=O)[C@H]1CCc2cn[nH]c2C1	159925184	UVDSVJKFNALCMH-XHDPSFHLSA-N	311.385	2.327	70	20	DEID	
CCO[C@@H]1CCCN(C(=O)c2ccnc(OCC(F)F)c2)C1	159932749	NTAHKZORTAEGEC-GFCCVEGCSA-N	314.332	2.367	70	20	DEID	
CCc1cccc2c(CCNC(=O)[C@H](N)CCSC)c[nH]c12	159373685	JKSBPRJPEVWDJP-OAHLLOKOSA-N	319.474	2.469	70	20	DEID	
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)[C@@H]2CCCS2)C1	161268751	KZBWOPIKWAGJLF-RYUDHWBXSA-N	314.451	2.398	70	20	DEID	
CCS(=O)(=O)c1cccc(CC(=O)NCC2(C3CC3)CC2)c1	161341927	YWXTUUAHNLCTRU-UHFFFAOYSA-N	321.442	2.329	70	20	DEID	
CC[C@H](C(=O)N(C)Cc1nc(-c2ccccc2)c[nH]1)N(C)C	161374100	CVLIVVXTIYGERB-OAHLLOKOSA-N	300.406	2.375	70	20	DEID	
CCc1ccc(S(=O)(=O)N(C)C[C@H](O)C2CC2)cc1CC	161430247	JQWJMCLOSDQBFK-INIZCTEOSA-N	311.447	2.203	70	20	DEID	
CC(=O)N(C)C1CCN(C(=O)c2ccc(Cl)nc2C)CC1	161437871	LUDDMEAYABABPO-UHFFFAOYSA-N	309.797	2.126	70	20	DEID	
CCC[C@H]1CN(C(=O)NC2CCN(CC(C)C)CC2)CCO1	160094290	SXQJLHKLRDJZLF-INIZCTEOSA-N	311.470	2.317	70	20	DEID	
C[C@@H](CC(=O)N1CCC[C@@H](N2CCCC2=O)C1)c1ccncc1	160274929	UNTXASMYUYYIEJ-GOEBONIOSA-N	315.417	2.189	70	20	DEID	
CC[C@@H](NC(=O)c1c(C)nn(C)c1OC)c1c(C)noc1C	160309746	AWZHSLWWBAIAGI-LLVKDONJSA-N	306.366	2.223	70	20	DEID	
CCc1nsc(N2CCC[C@H]2CN2C[C@H](C)O[C@H](C)C2)n1	160482481	AMDSVBQVMGRESL-XQQFMLRXSA-N	310.467	2.179	70	20	DEID	
CCC1(CNC(=O)N2CCN(Cc3ccccn3)CC2)CC1	160609402	GUDIVXBJLANOJB-UHFFFAOYSA-N	302.422	2.099	70	20	DEID	
COc1ccc2cc(CNC(=O)C[C@@H]3COC(=O)C3)ccc2c1	160931210	OPCMUUOAJLNQDP-ZDUSSCGKSA-N	313.353	2.418	70	20	DEID	
C[C@@H]1C[C@@H](C)CN(CCCNC(=O)[C@@H](O)c2ccccc2)C1	159666675	GDNDWSDXFIWWLD-INMHGKMJSA-N	304.434	2.204	70	20	DEID	
O=C(NCC[C@@H]1CCCCO1)Nc1ccnn1C[C@H]1CCOC1	159712889	PJBGOVIUDGODPV-KGLIPLIRSA-N	322.409	2.000	70	20	DEID	
COC[C@H](C)[C@H](C)C(=O)Nc1cccc(S(=O)(=O)F)c1	460091106	JCDZCNYHMIKLIR-UWVGGRQHSA-N	303.355	2.202	70	20	DEID	
O=C(Cc1ccc(S(=O)(=O)F)cc1)NC[C@@H]1CC=CCC1	1354415177	MDCJQEYTXVLAMR-CYBMUJFWSA-N	311.378	2.360	70	20	DEID	
CC[C@@H]1CCCC[C@@H]1N(C)C(=O)CS(=O)(=O)CC(C)C	161119413	FJXLMDRHUHEXGJ-KGLIPLIRSA-N	303.468	2.484	70	20	DEID	
CNC(=O)c1ccc(NC(=O)NCC(C)(C)[C@H](O)C(C)C)cc1	161293144	HQGVLKZSNFZYJO-CQSZACIVSA-N	321.421	2.211	70	20	DEID	
CC[C@H](CNC(=O)C(=O)Nc1nocc1C)c1ccccc1	160062182	CIVFTSSXTZROFU-GFCCVEGCSA-N	301.346	2.232	70	20	DEID	
C[C@H](O)CCN(C)C(=O)Cc1ccc(Br)c(F)c1	160128347	NLWGCDKHXPWMBX-VIFPVBQESA-N	318.186	2.360	70	20	DEID	
COc1ccc([C@@H](C)[C@H](C)NCC(=O)NCC(F)(F)F)cc1	160586938	YZENRXCMZLLDKX-QWRGUYRKSA-N	318.339	2.455	70	20	DEID	
O=C(N[C@@H]1CCO[C@H](C2CC2)C1)N1CCC[C@H](c2ncc[nH]2)C1	160652189	VWSZLSDOXPEZHT-ZNMIVQPWSA-N	318.421	2.256	70	20	DEID	
COC(=O)c1cccc(C(=O)Cn2cnc(C(C)C)cc2=O)c1	160890715	OKBFCMRVZRXJLL-UHFFFAOYSA-N	314.341	2.036	70	20	DEID	
O=C(c1ccccc1NCc1cccnc1)N1CCC(O)CC1	159848933	ZQLILAYSMLZROY-UHFFFAOYSA-N	311.385	2.291	70	20	DEID	
Cc1nccc(NC(=O)N[C@@H]2CCCC[C@H]2C(N)=O)c1Cl	159756991	MSTDMNJCWBNJAC-NXEZZACHSA-N	310.785	2.209	70	20	DEID	
CC1(C(=O)Nc2cncc(OS(=O)(=O)F)c2)CCCC1	2088595812	SKMOWIDWJVLYBP-UHFFFAOYSA-N	302.327	2.194	70	20	DEID	
CCC1(NC(=O)c2cccc(S(=O)(=O)F)c2)CCOCC1	1348708055	VNUAOZMHKLPCDH-UHFFFAOYSA-N	315.366	2.034	70	20	DEID	
C[C@H]1CC(=O)CC[C@H]1C(=O)Nc1cccc(S(=O)(=O)F)c1	274680365	WSQVVBREDFWBHB-TVQRCGJNSA-N	313.350	2.289	70	20	DEID	
C[C@@H]1C[C@H](C(=O)Nc2cccc(S(=O)(=O)F)c2)CCC1=O	460097530	WQFYSANWMDKFSG-NXEZZACHSA-N	313.350	2.289	70	20	DEID	
Nc1ccc(OC(=O)c2cc(S(=O)(=O)F)c[nH]2)c(Cl)c1	1580449575	OVUOSJATDKGTQP-UHFFFAOYSA-N	318.713	2.128	70	20	DEID	
Cc1conc1NC(=O)C(=O)N1CCCC2(CCCCC2)C1	161161581	UBHJHCTWINRBLI-UHFFFAOYSA-N	305.378	2.494	70	20	DEID	
CC[C@H](C)[C@@H](N)C(=O)NCCc1nc(C(F)(F)F)cs1	161206079	DYHJCVCXLDWQRN-OIBJUYFYSA-N	309.357	2.194	70	20	DEID	
O=C(NC[C@@H]1CCCS1(=O)=O)N1CCC[C@@H]1c1ccccc1	160030721	FRDOLGPDKONUBP-LSDHHAIUSA-N	322.430	2.110	70	20	DEID	
Cc1cccc([C@H](NC(=O)[C@H]2CC(=O)N(C)C2)c2ccccn2)c1	160098120	GKKWFSZTTZOAEC-YJBOKZPZSA-N	323.396	2.074	70	20	DEID	
CC(C)[C@H](CCO)NC(=O)CCc1nnc(-c2ccsc2)o1	160460175	WXRUSQNGEOZAPM-LBPRGKRZSA-N	323.418	2.254	70	20	DEID	
NC(=O)c1csc(C(=O)N[C@H]2CCOC3(CCCCC3)C2)c1	160525460	YRZFXWGPRCBOPE-LBPRGKRZSA-N	322.430	2.459	70	20	DEID	
CC[C@H](C(=O)NCC(C)(C)S(C)(=O)=O)c1ccc(F)cc1	160778144	ZOLMYGJLZRYLND-ZDUSSCGKSA-N	315.410	2.259	70	20	DEID	
CC(=O)Nc1cccc(OCCNC(=O)NC2(C)CCC2)c1	160782964	CPBDDURKOYPHRE-UHFFFAOYSA-N	305.378	2.266	70	20	DEID	
CC(C)Oc1ccc(CNC(=O)N2CCO[C@H](C)[C@H]2C)cn1	160857275	YCAAKNHLYWMYBK-CHWSQXEVSA-N	307.394	2.188	70	20	DEID	
C[C@H](CO)CNC(=O)c1cc(OCc2ccccc2)ccc1O	159615907	SDVCVLTUHWTQLQ-ZDUSSCGKSA-N	315.369	2.329	70	20	DEID	
Cc1nc(Cl)ccc1C(=O)N1CC[C@H](Cc2cnn(C)c2)C1	159833455	SFTOVSPSJYLDNR-GFCCVEGCSA-N	318.808	2.482	70	20	DEID	
O=C(CCSCCN1CCOCC1)Nc1cccc(F)c1	159888989	ZTFRCFQBRBTKGR-UHFFFAOYSA-N	312.410	2.220	70	20	DEID	
Cc1nc(CSc2nnc(COc3ccccc3)n2C)no1	159394011	DYEONXMWGCUMHA-UHFFFAOYSA-N	317.374	2.378	70	20	DEID	
CC(C)C(=O)NCCNC(=O)C1(Cc2ccccc2)CCC1	159791386	SNJRONKBOFPUBF-UHFFFAOYSA-N	302.418	2.288	70	20	DEID	
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)c2ccnc(F)c2)C1	161360535	HQQQUNCMYMDQCP-LBPRGKRZSA-N	323.368	2.350	70	20	DEID	
O=C(Nc1cccc(S(=O)(=O)F)c1)c1ccc2nccn2c1	460088891	DOWBZKTXQZWSQN-UHFFFAOYSA-N	319.317	2.245	70	20	DEID	
CCOCCCC(=O)Nc1ccc(F)c(CS(=O)(=O)F)c1	876318305	RIMYTRDEDKQMOQ-UHFFFAOYSA-N	321.345	2.380	70	20	DEID	
C=CCN(CC=C)C(=O)CCc1ccc(S(=O)(=O)F)cc1	1336636235	GDOXFZQUBWZKLE-UHFFFAOYSA-N	311.378	2.478	70	20	DEID	
Cc1ccc(CNC(=O)c2cccc(S(=O)(=O)F)c2)nc1C	1337491595	NOQRBZFJXOIGKH-UHFFFAOYSA-N	322.361	2.287	70	20	DEID	
CC[C@@]1(C)C[C@@H]1C(=O)Nc1nc(C)c(SCC(N)=O)s1	161026537	QGGOQBAMHBBGGZ-OQPBUACISA-N	313.448	2.404	70	20	DEID	
O=C(Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1)[C@@H]1CCCNC1	161040587	NFYOQILUMSTLND-XOKHGSTOSA-N	318.417	2.307	70	20	DEID	
C[C@@H]1CN(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)CCS1	161043701	VEIVQQMEQUZZHU-LLVKDONJSA-N	317.418	2.451	70	20	DEID	
CN(c1ccccc1NC(=O)c1ccsc1)S(C)(=O)=O	161490411	CXQIVAHPXKERTB-UHFFFAOYSA-N	310.400	2.396	70	20	DEID	
CC[C@H](CC(=O)N[C@@H]1CCN(C(N)=O)C1)c1ccc(C)cc1	160016711	QEMZSCXRBFIHOZ-UKRRQHHQSA-N	303.406	2.148	70	20	DEID	
Cc1cccc2c(CCC(=O)N3CCCC[C@@H]3C(N)=O)c[nH]c12	160162195	GLSYUYIQYILLNR-OAHLLOKOSA-N	313.401	2.275	70	20	DEID	
COC(=O)[C@H](C)CNC(=O)CCCOc1ccc2c(c1)CCC2	160460742	XZLVLJZQYWHINB-CYBMUJFWSA-N	319.401	2.260	70	20	DEID	
CC(=O)N[C@@H](C(=O)N(C)c1ccc2c(c1)OCO2)C1CCCC1	160463510	BIQXPUGYUSTOMO-MRXNPFEDSA-N	318.373	2.073	70	20	DEID	
CCN(Cc1cc2cc(OC)ccc2o1)[C@H]1CCS(=O)(=O)C1	160588493	FLOGDVFIKBVAQS-ZDUSSCGKSA-N	323.414	2.450	70	20	DEID	
CCC(CC)c1cc(C(=O)N[C@@H](C)CN2CCOCC2)on1	160593238	HPOFLSFZSAQSRV-LBPRGKRZSA-N	309.410	2.029	70	20	DEID	
CCc1ccc(/C=C/C(=O)NC2(CC(=O)OC)CCOCC2)o1	160819551	PQADOTRWGRIVFL-VOTSOKGWSA-N	321.373	2.084	70	20	DEID	
O=C(Nc1cccc(-n2ccnc2)c1)C(=O)N1CCC2(CCC2)C1	159430075	CGVBGYGZFYZGJH-UHFFFAOYSA-N	324.384	2.213	70	20	DEID	
COC(=O)c1ccc(CSCc2nnnn2C2CC2)s1	159684960	VBKIBLUUXHBPLI-UHFFFAOYSA-N	310.404	2.290	70	20	DEID	
COCCOc1ccc(NC(=O)[C@@H]2CCC(=O)C[C@@H]2C)cn1	159911495	LDSWXDOARGDMMT-SMDDNHRTSA-N	306.362	2.051	70	20	DEID	
CC[C@@H](C)NS(=O)(=O)c1cccc2c(C(=O)OC)nccc12	159941461	JERRRPYJXOGFNC-SNVBAGLBSA-N	322.386	2.098	70	20	DEID	
COC(=O)NCCC(=O)Nc1cc(F)ccc1OC(F)F	159374723	FBVROLUNSSFHRC-UHFFFAOYSA-N	306.240	2.112	70	20	DEID	
Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NCCCC(=O)OC(C)C	159378991	VWRZFXQSPPUZBJ-NSHDSACASA-N	309.410	2.368	70	20	DEID	
CCCCOCCOCCNC(=O)NC1C[C@H](C)O[C@@H](C)C1	159586344	GBHGKCGHFOWWRZ-KBPBESRZSA-N	316.442	2.075	70	20	DEID	
COC(=O)CCCS(=O)(=O)Oc1ccccc1C(C)C	217193292	HNQIHDSPKZZCLM-UHFFFAOYSA-N	300.376	2.472	70	20	DEID	
O=C1CCC(CC(=O)Nc2cccc(S(=O)(=O)F)c2)CC1	490536853	MMRJWVGXLOLFAW-UHFFFAOYSA-N	313.350	2.433	70	20	DEID	
C[C@H](CC#N)N(C)C(=O)CCc1ccc(S(=O)(=O)F)cc1	1339291981	ZZCVYLRFQFBWRI-LLVKDONJSA-N	312.366	2.038	70	20	DEID	
COCCC1(C(=O)Nc2cc(F)cc(N3CCOCC3)c2)CC1	161159071	MWGCVVQSWQSGKB-UHFFFAOYSA-N	322.380	2.418	70	20	DEID	
C[C@@H](NC(=O)Nc1cc(F)cc(Cl)c1)[C@@H]1CN(C)CCO1	161213047	YJODOYFCZRGAIE-RNCFNFMXSA-N	315.776	2.320	70	20	DEID	
CC1(C)C[C@H](NC(=O)NCCc2nc3ccccc3[nH]2)CCO1	161328325	MYDPTNKQHWWLKN-GFCCVEGCSA-N	316.405	2.362	70	20	DEID	
COc1ccc(NC(=O)[C@H](C)OC[C@@H]2CCCCO2)cc1N	161384533	XAQFWVFTYDSBJM-AAEUAGOBSA-N	308.378	2.190	70	20	DEID	
O=C(C[C@H]1CSCCS1)N1CCC[C@@H](c2ccn[nH]2)C1	161508236	NKJRBSXWTWSSGV-NEPJUHHUSA-N	311.476	2.354	70	20	DEID	
COC(=O)c1cccc(CS(=O)(=O)NCC2(C3CC3)CC2)c1	160192922	WNUQHKRYBYCZIH-UHFFFAOYSA-N	323.414	2.083	70	20	DEID	
COc1cc(CCNC(=O)[C@H]2Cc3ccccc3CN2)ccc1C	160321606	GYOPYCONXILZFZ-GOSISDBHSA-N	324.424	2.377	70	20	DEID	
CC[C@@H](NC(=O)[C@H]1CCc2cn[nH]c2C1)c1c(C)noc1C	160613715	BKAVOQRHTFUEJT-WCQYABFASA-N	302.378	2.387	70	20	DEID	
Cc1nnnn1-c1cccc(NC(=O)N[C@@H](C)C2CCC2)c1	160725040	OBAKETONTQOSPJ-JTQLQIEISA-N	300.366	2.281	70	20	DEID	
CCCOc1ccc(CNC(=O)NCC[C@H](O)CC)cc1OC	160959695	CKWQOTGWDLWBLT-CQSZACIVSA-N	324.421	2.444	70	20	DEID	
CCc1noc(C)c1CNc1cccc(C(=O)NCCO)c1C	159457505	GIRLVIVTVLHJHZ-UHFFFAOYSA-N	317.389	2.188	70	20	DEID	
C[C@@]1(O)CCCN(C(=O)Nc2ccn(Cc3ccccc3)n2)C1	159525871	ZHPMRLPUYUQULA-QGZVFWFLSA-N	314.389	2.310	70	20	DEID	
COCc1cc([C@H](C)NCCc2cnn(C)c2)ccc1OC	159748116	LVMVWSVGLRAYNS-ZDUSSCGKSA-N	303.406	2.468	70	20	DEID	
FC(F)(F)Oc1cccc(CCN2CCn3cnnc3C2)c1	159971809	KTIZLLMTADNTQB-UHFFFAOYSA-N	312.295	2.235	70	20	DEID	
CSCc1cccc(NC(=O)N[C@H](C)[C@@H]2CN(C)CCO2)c1	159589370	QOWFMTAEMLSQGY-DOMZBBRYSA-N	323.462	2.390	70	20	DEID	
CO[C@@](C)(C(=O)Nc1ccc(S(=O)(=O)F)c(F)c1)C1CC1	857673266	XVNWQCIEYMHVTA-CYBMUJFWSA-N	319.329	2.238	70	20	DEID	
COc1cnc(NC(=O)c2ccc(S(=O)(=O)F)cc2)s1	864241921	PTPHBQFJCMYLRI-UHFFFAOYSA-N	316.335	2.062	70	20	DEID	
CC[C@H](C(=O)N(CC)CC(=O)Nc1c(C)cccc1C)N(C)C	161101786	IUWAHVIQXMJSLR-OAHLLOKOSA-N	319.449	2.431	70	20	DEID	
CCN(CC)c1ccc(NC(=O)[C@H]2CCn3ccnc3C2)cn1	160064542	DKYZANFNLMSMJN-ZDUSSCGKSA-N	313.405	2.325	70	20	DEID	
COC(=O)[C@H](C)CN(C)C(=O)C1(c2ccc(C)c(OC)c2)CC1	160098063	MHJVOTKPCAXWRT-CYBMUJFWSA-N	319.401	2.303	70	20	DEID	
O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)N1CCC[C@H](CO)C1	160121955	HXEFRIFYKXENKG-XJKSGUPXSA-N	320.389	2.091	70	20	DEID	
Cc1ccc(C(=O)N(C)Cc2nccn2C)c(Br)n1	160162528	KWIGSQMWEQATGM-UHFFFAOYSA-N	323.194	2.158	70	20	DEID	
O=C(CNC(=O)c1ccco1)N[C@H]1CCOC2(CCCCC2)C1	160281838	OEUREAPRXUHILY-ZDUSSCGKSA-N	320.389	2.008	70	20	DEID	
Cc1cc(C)c(C(=O)N2CCOC[C@H]2[C@H]2CCCCC2=O)o1	160389222	ZBLDOKIVIJBVRN-KGLIPLIRSA-N	305.374	2.497	70	20	DEID	
CCC[C@](C)(NC(=O)c1ccc(N(C)C)cc1F)C(=O)OC	160483169	QHIBPLCQJDKDOY-INIZCTEOSA-N	310.369	2.353	70	20	DEID	
CCc1ccc(CNC(=O)N[C@@H]2CCc3[nH]ncc3C2)s1	160488617	OQYNHCKSASGDBW-LLVKDONJSA-N	304.419	2.390	70	20	DEID	
CCc1nc(Cl)c(C)c(N2CC[C@@H]3NC(=O)CC[C@@H]3C2)n1	160517996	LZOFKXWFJXNVCY-MNOVXSKESA-N	308.813	2.106	70	20	DEID	
O=C1C[C@H](CC(=O)N2CCn3cccc3[C@H]2c2ccccc2)CO1	160704747	OEDWHLKTJVAOMV-IFXJQAMLSA-N	324.380	2.373	70	20	DEID	
C[C@@H](NC(=O)Nc1ccn(CC(F)(F)F)n1)C1CCOCC1	160848955	RYHLIXLSKIIVPH-SECBINFHSA-N	320.315	2.382	70	20	DEID	
CC(C)Sc1ccccc1NC(=O)[C@H](C)NS(C)(=O)=O	160931138	PRRSZLNRRXXSMK-JTQLQIEISA-N	316.448	2.063	70	20	DEID	
O=C(CCSc1ccccn1)NC[C@H](O)c1ccsc1	159602984	KXKRYADGHAVAPP-LBPRGKRZSA-N	308.428	2.475	70	20	DEID	
Cc1noc(C)c1[C@H](C)CNC(=O)NC[C@@H]1CCCN(C)C1	159801463	RRMJAIMETUBKJV-RISCZKNCSA-N	308.426	2.036	70	20	DEID	
CN(C(=O)NC[C@@]1(C)CCCO1)[C@H]1CCCc2c1cnn2C	159548647	IWINIRQMCSGOHT-XJKSGUPXSA-N	306.410	2.008	70	20	DEID	
Cc1cc(NC(=O)C(C)(C)CNC(=O)OC(C)(C)C)c[nH]c1=O	159387035	NWFGGAARKQJWQT-UHFFFAOYSA-N	323.393	2.173	70	20	DEID	
O=C(C[C@H]1CCCCO1)Nc1cccc(S(=O)(=O)F)c1	460097598	WXVQZOMFRXDCPC-LLVKDONJSA-N	301.339	2.243	70	20	DEID	
COC[C@@H](C)[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	857673148	SKPCRNDHZBGYFL-RKDXNWHRSA-N	321.345	2.341	70	20	DEID	
COc1ccc(CNC(=O)CN[C@@H](C)c2cncc(F)c2)cc1	161002044	WSRLGSNUIGEZLD-LBPRGKRZSA-N	317.364	2.196	70	20	DEID	
CCNC(=O)C(C)(C)CNc1nc(-c2cccc(OC)c2)no1	161325484	QWWOAQHGPKZMAE-UHFFFAOYSA-N	318.377	2.319	70	20	DEID	
COc1ccc(NC(=O)[C@H](C)NC(=O)C2CCCCC2)cc1N	161349895	HUJMTXIJVRZTAV-NSHDSACASA-N	319.405	2.301	70	20	DEID	
CCc1n[nH]c(-c2ccccc2NC(=O)c2cnns2)n1	161350520	JHZOXLFRPGPOQN-UHFFFAOYSA-N	300.347	2.138	70	20	DEID	
CNC(=O)c1cccc(NC(=O)N[C@H]2CCO[C@@H](C3CC3)C2)c1	161414376	SDDSLMLKZQROQR-LSDHHAIUSA-N	317.389	2.125	70	20	DEID	
Cc1cc(C(=O)N(C)Cc2cccn2C)c2c(C)nn(C)c2n1	160372328	OLKVRNKIMKPUFP-UHFFFAOYSA-N	311.389	2.196	70	20	DEID	
CCc1ccc(C(=O)N2CCC(C(=O)Nc3cn[nH]c3)CC2)o1	160403016	JCDWKAXDFPNMRH-UHFFFAOYSA-N	316.361	2.056	70	20	DEID	
CC[C@@H](C)[C@@](C)(O)CNC(=O)Nc1ccn(CC(F)(F)F)n1	160477233	PCKGXZHZFBKJOT-SKDRFNHKSA-N	322.331	2.364	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)c1nc(SC)n2ccccc12	160495163	CKZXASKWSHQZOP-SNVBAGLBSA-N	321.402	2.128	70	20	DEID	
COc1ccc(CCNC(=O)NOCc2cccnc2)cc1	160982979	JUIQRQHDDRMNPA-UHFFFAOYSA-N	301.346	2.064	70	20	DEID	
COCCC1(C(=O)NCc2ccc(-n3ccnc3C)nc2)CC1	159421236	HIZFRRPZULYCBV-UHFFFAOYSA-N	314.389	2.009	70	20	DEID	
CCN1CCCN(C(=O)NC[C@H]2CCOc3ccccc32)CC1	159837189	UWGSPNGIXCEJBU-OAHLLOKOSA-N	317.433	2.290	70	20	DEID	
CC(C)N(CCN(C)C)C(=O)NCCc1ccc(Cl)nc1	159669966	UOGUASZNFSJJES-UHFFFAOYSA-N	312.845	2.259	70	20	DEID	
CC[C@H]1CN(C(=O)Nc2ccc(C(C)(C)C(N)=O)cc2)CCO1	159901715	JXDRAKAGVXEHTF-AWEZNQCLSA-N	319.405	2.092	70	20	DEID	
CCOc1ccc(C(=O)NCC(=O)NCC2(C3CC3)CC2)cc1	159998233	MAEULANBLDJPIU-UHFFFAOYSA-N	316.401	2.122	70	20	DEID	
CCOc1ccc(OCCN2CCCC[C@H]2C(=O)OC)cc1	216904033	FIESGDIXQCPVRD-INIZCTEOSA-N	307.390	2.492	70	20	DEID	
O=C(Nc1cccc(S(=O)(=O)F)c1)[C@H]1CC1(Cl)Cl	460089333	FDAWJBRKJJGRDT-MRVPVSSYSA-N	312.149	2.477	70	20	DEID	
O=C(Cc1ccc(S(=O)(=O)F)cc1)NCC1(C2CC2)CC1	1121083916	FOOAZACJMWZURO-UHFFFAOYSA-N	311.378	2.194	70	20	DEID	
C[C@H]1CCC[C@H](NC(=O)CCCNC(=O)c2cccnc2)C1	161054308	RCFPMJLNLRYBRD-ZFWWWQNUSA-N	303.406	2.287	70	20	DEID	
CCCOc1ccc(CNC2CCC(NC(C)=O)CC2)cn1	161306433	SCTPAZJNLCYYBY-UHFFFAOYSA-N	305.422	2.407	70	20	DEID	
Cc1cc(C)c2ncc(C(=O)N3CCC(O)CC3)c(O)c2c1	161399271	TWHDMARVHXJVCA-UHFFFAOYSA-N	300.358	2.154	70	20	DEID	
CC(C)OC(=O)CCCNC(=O)N1CCC[C@@H](c2ccn[nH]2)C1	160231402	YCDINJKPSGBIMI-CYBMUJFWSA-N	322.409	2.031	70	20	DEID	
CC[C@H](COC)NS(=O)(=O)c1ccccc1C(F)(F)F	160332308	SPKSBEUHCDSYQE-SECBINFHSA-N	311.325	2.409	70	20	DEID	
C[C@H]1CCCCN1CCCCNC(=O)N1CCC[C@@](C)(O)C1	160356514	VJPNCRIJFRRYHQ-DOTOQJQBSA-N	311.470	2.197	70	20	DEID	
Cc1n[nH]c(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)c1C	160491200	ASZUQNCLJUKCNF-QMMMGPOBSA-N	307.375	2.151	70	20	DEID	
Cc1cccc(OC[C@@H](C)NC(=O)NCc2cnn(C)c2C)c1	160505661	NXBNJLXQYQAJEU-CYBMUJFWSA-N	316.405	2.304	70	20	DEID	
Cc1c(C(=O)Nc2cccc(C(N)=O)c2)cnn1CC(C)C	160573720	WXGMYDUFAXFFDU-UHFFFAOYSA-N	300.362	2.199	70	20	DEID	
COC[C@H](N[C@H](CN1CCCC1=O)c1ccccc1)C1CC1	160793455	XDWLHGHVBRQKKK-SJORKVTESA-N	302.418	2.365	70	20	DEID	
C[C@H](CC(=O)N1CC[C@@H](Cc2cnn(C)c2)C1)c1ccncc1	160977222	CJWHSVGZPREQQT-CABCVRRESA-N	312.417	2.400	70	20	DEID	
CC[C@H]1CCC[C@@H]1NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1	159648696	CFSYTUZOEQHNJR-AXFHLTTASA-N	306.328	2.092	70	20	DEID	
CCC[C@H]1CN(C(=O)NCc2cccc(OC)c2OC)CCO1	159958060	VBMUOXORMXGFMK-AWEZNQCLSA-N	322.405	2.414	70	20	DEID	
C[C@H]1CN(S(=O)(=O)c2ccccc2C(F)(F)F)CC[C@@H]1O	159377188	CUGJCGGWNXBIIW-ONGXEEELSA-N	323.336	2.097	70	20	DEID	
CCN1CCC(NC(=O)NC[C@@H](C)c2c(C)noc2C)CC1	159574297	LUKLALHOHDQINR-LLVKDONJSA-N	308.426	2.178	70	20	DEID	
C[C@H]1CC(NC(=O)c2ccc(S(=O)(=O)F)cc2)C[C@H](C)O1	864241078	JFQMCARKEBFHMI-UWVGGRQHSA-N	315.366	2.031	70	20	DEID	
O=C(O[C@H]1CCCCC1=O)c1cccc(S(=O)(=O)F)c1	1350902968	KQEHNDXIPWXAAJ-LBPRGKRZSA-N	300.307	2.013	70	20	DEID	
O=S(=O)(F)c1ccc(NC[C@@H]2CCN2C2CCCC2)nc1	1550633528	CLQPKUTYQOGPTR-LBPRGKRZSA-N	313.398	2.169	70	20	DEID	
CN(C)[C@H]1CCC[C@@H](NC2CCN(CC(F)(F)F)CC2)C1	161022234	CYCFWKFBELUSQA-KGLIPLIRSA-N	307.404	2.476	70	20	DEID	
CC[C@H]1CCCN(C(=O)C(=O)Nc2cc(C(=O)OC)cs2)C1	161035920	WKAZNCVMVIGHAE-JTQLQIEISA-N	324.402	2.122	70	20	DEID	
COC[C@H](O)CCNC(=O)[C@@H](C)Oc1cccc(C(C)(C)C)c1	161048880	BREDQYSAQQSHFE-UKRRQHHQSA-N	323.433	2.265	70	20	DEID	
Cc1ccc(N2CCOC2=O)cc1NC(=O)Nc1ccn(C)n1	161455422	GYJCLDHKKKISPE-UHFFFAOYSA-N	315.333	2.329	70	20	DEID	
CCCOc1cccc(CC(=O)NCCC(=O)NC(C)C)c1	161494945	BHWKQSNVSVASJW-UHFFFAOYSA-N	306.406	2.049	70	20	DEID	
COc1cc(CCC(=O)NCCn2ccnc2)ccc1Cl	160023211	HHYZZFJUCJANNI-UHFFFAOYSA-N	307.781	2.294	70	20	DEID	
Cc1noc(C)c1CNC(=O)c1ccc2c(c1)CCC(=O)N2C	160024210	USWQADZGUSGLKN-UHFFFAOYSA-N	313.357	2.130	70	20	DEID	
N[C@@H]1CCN(C(=O)/C=C/c2csc(Br)c2)C1	160236384	DSVKZFBORFXPIC-GPYPMJJRSA-N	301.209	2.083	70	20	DEID	
Cc1c(CNC(=O)NCCCCN2CCCC[C@H]2C)cnn1C	160267694	VGIAGHLVJYOCKM-CQSZACIVSA-N	321.469	2.182	70	20	DEID	
CCN1CCN(Cc2ccccc2CN[C@@H](C)CCOC)CC1	160361471	OLWGPAQCIGAGKP-KRWDZBQOSA-N	319.493	2.339	70	20	DEID	
CCCCN1CCC(NC(=O)NCCc2ccncc2C)CC1	160382308	VUURYRUCUUBRGE-UHFFFAOYSA-N	318.465	2.496	70	20	DEID	
C[C@H](C(=O)N[C@H]1CCCC[C@@H]1C(N)=O)c1c(F)cccc1F	160737012	CVCODHSFVOVDSC-KWBADKCTSA-N	310.344	2.229	70	20	DEID	
CC[C@H](O)CCNC(=O)NCCCCOc1ccc(F)cc1	160836735	MTVZEDHGKYTSDZ-AWEZNQCLSA-N	312.385	2.445	70	20	DEID	
C[C@@H](c1cccs1)N(C)C(=O)CS(=O)(=O)C(C)(C)C	160868599	FXXHRAYDYKAXLQ-JTQLQIEISA-N	303.449	2.481	70	20	DEID	
C[C@@H](CCO)NC(=O)NCCOc1ccccc1C(C)(C)C	159469123	LBEWLPMDUXREFW-ZDUSSCGKSA-N	308.422	2.433	70	20	DEID	
CC(C)(CN)C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1	159496534	ZVNDUBUROMCBDI-UHFFFAOYSA-N	306.250	2.315	70	20	DEID	
Cc1ccc(C(=O)N2CCC(Cn3ccnn3)CC2)c(O)c1C	159526819	GMTWXUGKAWBALI-UHFFFAOYSA-N	314.389	2.153	70	20	DEID	
Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)[C@]2(F)CCNC2)cc1	159537916	BJOZDOMPDAUYHM-RYRKJORJSA-N	320.408	2.281	70	20	DEID	
CC(=O)N1CC[C@@H](NC(=O)c2cc3cc(C)ccc3nc2C)C1	159375154	GGQVJPQKXITEON-OAHLLOKOSA-N	311.385	2.202	70	20	DEID	
CN(C(=O)CCc1ccc(S(=O)(=O)F)cc1)C1(C#N)CCC1	1121180083	YXKWNSXBFPDXCW-UHFFFAOYSA-N	324.377	2.182	70	20	DEID	
Cc1ccc(C#N)cc1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1123616747	OUXYDRGQQPBQTE-UHFFFAOYSA-N	307.306	2.105	70	20	DEID	
CC(C)OC(=O)CCCNC(=O)N1CCS[C@@H](C)[C@H]1C	160187704	LVTUDLUBWSQNAA-NEPJUHHUSA-N	302.440	2.254	70	20	DEID	
Cc1onc(-c2ccncc2)c1C(=O)N[C@H](CO)CC(C)C	161075729	NPNHMCBHNFSWKH-ZDUSSCGKSA-N	303.362	2.182	70	20	DEID	
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ccn(CCC(C)C)n1	161093031	UMPBXDHOHHKAOV-QWHCGFSZSA-N	323.441	2.354	70	20	DEID	
O=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)Nn1cnc2ccccc21	161200428	HJUKVADCPCLWAD-DFBGVHRSSA-N	312.373	2.247	70	20	DEID	
Cn1cnc(-c2ccc(NC(=O)NC[C@@H]3CCCS3)cc2)n1	161368126	TZJRJNIOQWJOGQ-ZDUSSCGKSA-N	317.418	2.499	70	20	DEID	
Cc1ccc(NC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cn1	161400049	KDONTAQVFFDBMF-UHFFFAOYSA-N	320.393	2.475	70	20	DEID	
O=C(Nc1ccc(O[C@H]2CCOC2)cc1)NC1CCOCC1	160146898	AWWGPRKAISDDEB-HNNXBMFYSA-N	306.362	2.155	70	20	DEID	
CC(C)(CO)CCCNC(=O)c1ccc(N2CCOC2=O)cc1	160348821	ALEVZDBSTQFRRL-UHFFFAOYSA-N	320.389	2.172	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)c1c(F)ccc(F)c1OC	160661143	ZASWNYHVUJUBKB-QMMMGPOBSA-N	301.289	2.045	70	20	DEID	
CN(C[C@@H]1CCOC1)[C@@H]1CCCN(c2ccccc2F)C1=O	160685529	XYRVBLQDEAPOKN-XJKSGUPXSA-N	306.381	2.289	70	20	DEID	
Cc1ccccc1[C@@H]1CN(C(=O)[C@H](N)Cc2ccccc2)CCO1	160841234	RKZBSAKTPFADSP-MOPGFXCFSA-N	324.424	2.465	70	20	DEID	
COc1ccc(CCCC(=O)NCC(C)(C)CO)c(OC)c1	160917801	QQOXPJGXUIMHJT-UHFFFAOYSA-N	309.406	2.161	70	20	DEID	
COCCOCCC(=O)Nc1cc(F)ccc1OC(F)F	159428298	CVUDXWJHEHQSOX-UHFFFAOYSA-N	307.268	2.419	70	20	DEID	
CN(C)c1ccc(C(=O)NCC(=O)Nc2ccccc2)c(F)c1	159523665	KOKCEPPVJFGTGR-UHFFFAOYSA-N	315.348	2.260	70	20	DEID	
CC(C)CN(CC(N)=O)C(=O)CCOc1ccccc1Cl	159727931	QVPMPFYFNWXMME-UHFFFAOYSA-N	312.797	2.079	70	20	DEID	
Cc1cc(C)c2nc(NC(=O)[C@@H]3CCNC(=O)C3)sc2c1	159741938	MMDIUPOZJSYNTG-SNVBAGLBSA-N	303.387	2.378	70	20	DEID	
Cc1cccc(OCCNC(=O)[C@H](C)Nc2cc(C)n(C)n2)c1	159597893	AXNDNYPDKGTNJU-AWEZNQCLSA-N	316.405	2.033	70	20	DEID	
COc1cc(C)cc(CNC(=O)NC[C@H]2CCCN(C)C2)c1	159799901	CRRUVKWFIAGBBW-CQSZACIVSA-N	305.422	2.145	70	20	DEID	
COC(=O)c1sc(NC(=O)[C@@H]2CCCO2)nc1C(C)(C)C	159994864	QZQDKRHKPJMAQT-QMMMGPOBSA-N	312.391	2.345	70	20	DEID	
CCCN(Cc1c(F)cccc1F)[C@H]1CCS(=O)(=O)C1	161116495	FAYNNJVYXWVOET-NSHDSACASA-N	303.374	2.364	70	20	DEID	
COC[C@@H](C)[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)F)c1	460091098	JCDZCNYHMIKLIR-NXEZZACHSA-N	303.355	2.202	70	20	DEID	
C[C@@H]1CCC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H]1C	1120866658	VPTPEUREKPMTEI-KKZNHRDASA-N	302.371	2.227	70	20	DEID	
CCc1ncc(NC(=O)NCC2(CCO)CCCCC2)cn1	161207241	GUSSJKFIWNKHKW-UHFFFAOYSA-N	306.410	2.493	70	20	DEID	
COC[C@H](O)CCNC(=O)C1(c2cccs2)CCCCC1	161245523	ASEBVDTXOYSYKD-CYBMUJFWSA-N	311.447	2.464	70	20	DEID	
O=C(Nc1ccc(Cl)nc1)N1CCC(Cn2ccnn2)CC1	161276564	GBWGBTZKBDUZPC-UHFFFAOYSA-N	320.784	2.271	70	20	DEID	
O=C(Cn1c(-c2cccnc2)noc1=O)c1ccc2c(c1)CCC2	161280015	VINFILQEUZPBJD-UHFFFAOYSA-N	321.336	2.270	70	20	DEID	
Fc1ccccc1OCCN1CCN(c2ccncc2)CC1	161307516	ZSMVSCPTOHRHHF-UHFFFAOYSA-N	301.365	2.422	70	20	DEID	
N[C@@H]1CCC[C@@H](NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)C1	161310766	WUMSBWMRYZXMMZ-ZIAGYGMSSA-N	311.385	2.042	70	20	DEID	
CCc1c(C(=O)N2CCOC[C@@H]2C2CC2)[nH]c(C)c1C(C)=O	161387703	ZMSMIPIDMBIFNO-CQSZACIVSA-N	304.390	2.339	70	20	DEID	
CN(C[C@@H]1CCCO1)C(=O)Nc1ccc(O[C@H]2CCOC2)cc1	160277803	FLVGEQIOQUVQBA-HOTGVXAUSA-N	320.389	2.497	70	20	DEID	
CC(C)C(=O)N[C@H]1CCCN(C(=O)C[C@H](C)c2ccncc2)C1	160323354	HRQRETHISBUDLC-HOCLYGCPSA-N	317.433	2.338	70	20	DEID	
Cn1cc(CCNC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)cn1	160927478	QVANYPHTKVITIK-CHWSQXEVSA-N	305.328	2.161	70	20	DEID	
C[C@@H]1CN(C(=O)Nc2ccc(C(C)(C)C(N)=O)cc2)C[C@@H](C)O1	159840101	FOYLSMBXJGPWLR-VXGBXAGGSA-N	319.405	2.091	70	20	DEID	
CCN(CC)C(=O)CN(C)C(=O)[C@@H]1C[C@@H]1c1sccc1C	159857032	JFFGVWXAGDYMAO-QWHCGFSZSA-N	308.447	2.487	70	20	DEID	
C[C@H](O)CN(C)[C@@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2	159507697	IDTYDEBTQWCTBA-KKUMJFAQSA-N	318.461	2.444	70	20	DEID	
C[C@H](CNc1ccccc1)NC(=O)c1ncn(-c2ccccc2)n1	159794556	YSQVOQUBBVIJLA-CQSZACIVSA-N	321.384	2.498	70	20	DEID	
O=C(Nc1cccc(S(=O)(=O)F)c1)c1noc2c1CCCC2	460096000	WCXQLBPMDRLMOR-UHFFFAOYSA-N	324.333	2.464	70	20	DEID	
Cc1ncsc1CNC(=O)c1ccc(S(=O)(=O)F)cc1	864239638	NJCKWWTYEDSWCE-UHFFFAOYSA-N	314.363	2.040	70	20	DEID	
C[C@H](O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1CS(=O)(=O)F	882035783	PQNJEOMIACLBBI-JGVFFNPUSA-N	323.367	2.256	70	20	DEID	
CCOCCN(C)C(=O)c1cc(S(=O)(=O)F)ccc1Cl	1262786221	XGVMRUANRLLDRS-UHFFFAOYSA-N	323.773	2.107	70	20	DEID	
CNC[C@H]1CCCN1C(=O)Cc1ccccc1Br	217268463	UJUMJPCOYTZQSG-GFCCVEGCSA-N	311.223	2.202	70	20	DEID	
CC(C)Sc1ccccc1NC(=O)C(=O)NCCCN(C)C	161031501	VHRYDWWKSGTCEC-UHFFFAOYSA-N	323.462	2.194	70	20	DEID	
CCc1nn(C)c(Cl)c1C(=O)NC[C@@H](C)CN1CCCC1	161101263	MLKVJNIMJBVPCJ-LLVKDONJSA-N	312.845	2.098	70	20	DEID	
C[C@H](CC(=O)Nc1cccnc1Cl)NC1CCN(C)CC1	161414247	SIOPBOOXPLQSDK-LLVKDONJSA-N	310.829	2.136	70	20	DEID	
COCc1ccc([C@@H]2CCCN2C(=O)CN2CCCCC2=O)o1	161489435	SFMAYOLLXPTCEX-AWEZNQCLSA-N	320.389	2.102	70	20	DEID	
O=C(CCn1ncc(=O)c2ccccc21)NCC1(C2CC2)CC1	160141518	DAKBCTQVTMFTAX-UHFFFAOYSA-N	311.385	2.093	70	20	DEID	
CC[C@H](NC(=O)c1c(C)nn(C)c1OC)c1c(C)noc1C	160309619	AWZHSLWWBAIAGI-NSHDSACASA-N	306.366	2.223	70	20	DEID	
COC(=O)c1ccc(NC(=O)CCC(=O)NC2CCCC2)cc1	160360886	YYZLZVPOIYCYRG-UHFFFAOYSA-N	318.373	2.251	70	20	DEID	
CCC(N)(CC)CNC(=O)c1ccc(Cn2ccnc2)cc1	160548435	QRAYFHPEOKRBJX-UHFFFAOYSA-N	300.406	2.179	70	20	DEID	
Cc1cc(C)nc(N(C)Cc2nc3ccsc3c(=O)[nH]2)n1	160624743	QTCAUJPBODHXES-UHFFFAOYSA-N	301.375	2.028	70	20	DEID	
CC[C@@H](NC(=O)Nc1ccc(F)c(C(N)=O)c1)[C@H]1CCCO1	160775779	YZKYJYZAMPMMIG-CHWSQXEVSA-N	309.341	2.004	70	20	DEID	
CCCC1(CNC(=O)Nc2ccnc(C(=O)N(C)C)c2)CC1	160936345	ULTSQJBCJLEWBJ-UHFFFAOYSA-N	304.394	2.485	70	20	DEID	
Cc1ccccc1-c1nnc(SCc2nncn2C)n1C	160985916	XELNXTHQCMUAQM-UHFFFAOYSA-N	300.391	2.211	70	20	DEID	
CNC(=O)[C@H](CC(C)C)NC(=O)CCc1ccc(F)cc1F	159600214	MBIZNWLOJUIBCF-AWEZNQCLSA-N	312.360	2.174	70	20	DEID	
O=C(NCc1nc2ccccc2[nH]1)[C@H]1OCCc2ccccc21	159713364	FDCQDTXGCYOCIK-KRWDZBQOSA-N	307.353	2.493	70	20	DEID	
COc1ccc(CCCCC(=O)N[C@@H]2CCN(C(C)=O)C2)cc1	159726292	ASEARQNXHSNHPF-MRXNPFEDSA-N	318.417	2.145	70	20	DEID	
CO[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(F)cc1Cl	159770540	UKWXBFKIZJWGMD-VXGBXAGGSA-N	314.744	2.101	70	20	DEID	
COC(C)(C)CNC[C@@H](O)COCc1ccc(Cl)cc1	160263448	GZEVNVKRHKTJNK-CQSZACIVSA-N	301.814	2.232	70	20	DEID	
O=C([C@H]1CCCCN1)N1CC[C@@H](COCc2ccccc2)C1	161322558	LYUCCCGWQKRBCO-IAGOWNOFSA-N	302.418	2.194	70	20	DEID	
O=C(Nc1ccc(S(=O)(=O)F)c(F)c1)[C@@H]1CCSC1	857674888	UJINPLRRBFEXIC-SSDOTTSWSA-N	307.343	2.176	70	20	DEID	
CCOC1CC(COC(=O)c2cccc(S(=O)(=O)F)c2)C1	1262193895	AHPFZEYSFHELAF-UHFFFAOYSA-N	316.350	2.317	70	20	DEID	
CC[C@H](CSC)NC(=O)Cc1ccc(S(=O)(=O)F)cc1	1517902927	TYOGRJIGQGJFFC-LLVKDONJSA-N	319.423	2.145	70	20	DEID	
Cn1ccc(CNC[C@H]2CCCCN2C(=O)OC(C)(C)C)n1	218149552	AVSVUZXVXNHXNL-CQSZACIVSA-N	308.426	2.299	70	20	DEID	
COC[C@H](O)CCNC(=O)CCSc1ccc(C)c(C)c1	161032673	YBJLGCJXRDEXSU-CQSZACIVSA-N	311.447	2.299	70	20	DEID	
CCS(=O)(=O)c1cccc(CC(=O)N2[C@@H](C)CC[C@H]2C)c1	161042586	FMHYLQIVXAHXNY-BETUJISGSA-N	309.431	2.422	70	20	DEID	
COCCN(C)CCNC(=O)c1cnc(-c2ccccc2)s1	161063295	ZFNBCOUYKOUOLF-UHFFFAOYSA-N	319.430	2.118	70	20	DEID	
COc1ccccc1N1CC[C@@H](NC(=O)C=C2CCC2)C1=O	161298478	AXHKUOQASJIELD-CYBMUJFWSA-N	300.358	2.027	70	20	DEID	
O=C(NCCn1cccc1)C(=O)Nc1ccc(Cl)cc1F	160123560	SSHFECAGYIKXHF-UHFFFAOYSA-N	309.728	2.036	70	20	DEID	
N[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)C1	160192524	JPACYDICILFCNC-JLLWLGSASA-N	314.307	2.248	70	20	DEID	
Cc1c(CNC(=O)NCCO[C@H]2CCCC[C@@H]2C)cnn1C	160285374	OVKSFRMDOUNQKK-WFASDCNBSA-N	308.426	2.123	70	20	DEID	
CC(C)(C)CN(CCCO)C(=O)N[C@H]1CCO[C@@H](C2CC2)C1	160324946	BERAUQINHFTJJZ-LSDHHAIUSA-N	312.454	2.384	70	20	DEID	
COc1cccc(CCCNC(=O)c2cnc3c(c2)ncn3C)c1	160341882	PFUPERDJLATJRL-UHFFFAOYSA-N	324.384	2.340	70	20	DEID	
COCCCCNC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1	160364681	LNGPOESOYRENPI-OAHLLOKOSA-N	308.378	2.402	70	20	DEID	
CC(=O)Nc1ccc(Cl)c(C(=O)N2CC[C@H](CN(C)C)C2)c1	160368686	QEZXXZITTYDSLS-GFCCVEGCSA-N	323.824	2.322	70	20	DEID	
Cc1n[nH]c(NS(=O)(=O)c2cc(F)c(F)c(F)c2)c1C	160471327	YHINWNBUMUNRAA-UHFFFAOYSA-N	305.281	2.245	70	20	DEID	
O=C(Nc1ccc(-n2cccn2)cc1)N[C@H]1CC[C@H](O)CC1	160514507	RZZBMLXDALAIJE-OTVXOJSOSA-N	300.362	2.297	70	20	DEID	
CC(C)Cn1ncc2cc(C(=O)N[C@@H]3CCC[C@@H](N)C3)cnc21	160764636	JBFMCFYITGQMAW-HUUCEWRRSA-N	315.421	2.087	70	20	DEID	
CC(=O)c1c(C)[nH]c(C(=O)Cn2cnc(C(C)C)cc2=O)c1C	160857197	RXZHTHUIGYXLFT-UHFFFAOYSA-N	315.373	2.397	70	20	DEID	
CCc1ccccc1-n1cc(O)c(C(=O)NCC[C@@H](O)CC)n1	160871753	LZTOZGCNSKTPHJ-ZDUSSCGKSA-N	317.389	2.031	70	20	DEID	
COC(=O)C[C@H](C)S[C@@H]1CCCN(CC(F)(F)F)C1=O	159812221	AOXLFYKAAYDQCR-DTWKUNHWSA-N	313.341	2.225	70	20	DEID	
CC(C)(C(=O)NC[C@H](O)COCC1CC1)c1ccc(F)cc1	159420660	NLZFNAYHVUFNTR-HNNXBMFYSA-N	309.381	2.007	70	20	DEID	
Cc1cnccc1CCNC(=O)N[C@@H]1CCO[C@H](C2CC2)C1	159885674	SOANCGRJSGFXPU-CVEARBPZSA-N	303.406	2.189	70	20	DEID	
CCc1n[nH]c(=O)c(CNC(=O)N[C@@H]2CCC[C@@H]2CC)c1CC	159776412	VODVROWIFWFSIS-XHDPSFHLSA-N	320.437	2.273	70	20	DEID	
CC[C@@H]1C[C@H](C(=O)Nc2cccc(S(=O)(=O)F)c2)CCO1	460087596	AXZSMCCFFFFVPG-ZYHUDNBSSA-N	315.366	2.489	70	20	DEID	
Cc1ccc(NC(=O)[C@@H]2CCO[C@@H]2C)cc1S(=O)(=O)F	857675665	WVCUXMBAWQSFBW-MWLCHTKSSA-N	301.339	2.017	70	20	DEID	
CCc1ccc(O)c(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)c1	1123742702	KQKGEEFZQNBFAT-UHFFFAOYSA-N	312.322	2.193	70	20	DEID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N(C)CC(F)(F)F	1338140856	BFOCKMANUXMAMO-UHFFFAOYSA-N	313.272	2.288	70	20	DEID	
COc1cccc(C(=O)NC[C@@H](C)CCO)c1OC(F)F	161018335	BXNUYDKVRZBLEK-VIFPVBQESA-N	303.305	2.045	70	20	DEID	
C[C@@H]1CCCCN1C(=O)/C=C/C(=O)Nc1ccc2[nH]ncc2c1	161197824	PSAADRXTJIXAHA-ABZNLYFFSA-N	312.373	2.459	70	20	DEID	
CC(C)(C)S(=O)(=O)CC(=O)Nc1cccc(-c2cnco2)c1	161260167	JLIGKBBQIDGVBF-UHFFFAOYSA-N	322.386	2.493	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)c1oc(Br)cc1C	160099130	RPRBBSRDTRLANR-MRVPVSSYSA-N	318.167	2.422	70	20	DEID	
COCCOCCN(Cc1ccccc1)C(=O)c1ncoc1C	160214211	MMBNAIMVOQBVKJ-UHFFFAOYSA-N	318.373	2.288	70	20	DEID	
CCCCOC(=O)[C@@H](C)N1CCC(N(C)C(=O)OCC)CC1	160319250	RFBAFYKPCVSNTQ-CYBMUJFWSA-N	314.426	2.271	70	20	DEID	
CN(C[C@@H]1CCC[C@@H]1O)C(=O)NCCc1cc(F)cc(F)c1	160364175	UAPOGEPPNGBECA-WFASDCNBSA-N	312.360	2.310	70	20	DEID	
CC(C)n1cnc(S(=O)(=O)Nc2nnc(C(F)F)s2)c1	160476549	YQIIOTSHUODMRM-UHFFFAOYSA-N	323.350	2.054	70	20	DEID	
CCS[C@H]1CCC[C@@H]1NC(=O)c1ccc2[nH]c(=O)n(C)c2c1	160661063	GUAFNIZYQKCEPX-JSGCOSHPSA-N	319.430	2.271	70	20	DEID	
Cc1noc(CNC(=O)Nc2ccccc2OCC2CC2)n1	160887482	GHNPKVSPBXEIGA-UHFFFAOYSA-N	302.334	2.489	70	20	DEID	
Cc1ccccc1S(=O)(=O)Nc1nc(SC(C)C)n[nH]1	160933628	SUXGMTLATLKPOJ-UHFFFAOYSA-N	312.420	2.414	70	20	DEID	
CC(C)n1cc([C@H](C)N[C@@H](C(N)=O)c2ccc(F)cc2)cn1	159847703	FHIXOHLNPBQOTE-XHDPSFHLSA-N	304.369	2.480	70	20	DEID	
Cc1csc(N2CCN(C(=O)[C@H]3CCC(=O)C[C@H]3C)CC2)n1	159890005	WXYYOECYJKNGDJ-RISCZKNCSA-N	321.446	2.105	70	20	DEID	
CCN(Cc1nc2ccccc2c(=O)[nH]1)Cc1ccc(CO)o1	159900113	UMPMLCCHOUIWOC-UHFFFAOYSA-N	313.357	2.031	70	20	DEID	
CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)CC[C@H](N)c1ccccc1	159541049	PFOWTDKWPDTNTJ-DIECFANBSA-N	302.418	2.396	70	20	DEID	
CC[C@H](N)C(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1	159769057	XLBZLVNLDDLSTC-ZDUSSCGKSA-N	316.361	2.202	70	20	DEID	
CCCCn1ncc(NC(=O)NCCCc2cnn(C)c2)c1C	159969254	JZNXIGLMYWMODA-UHFFFAOYSA-N	318.425	2.479	70	20	DEID	
Cn1nc(C2CC2)cc1C(=O)Nc1ccc(S(=O)(=O)F)cc1	904412035	ZWFRZFTUSAHCIU-UHFFFAOYSA-N	323.349	2.208	70	20	DEID	
O=C(Nc1cccc(S(=O)(=O)F)c1)[C@@H]1OC[C@@H]2CCC[C@@H]21	889997270	KLRYKLYGEFLXSL-TVYUQYBPSA-N	313.350	2.098	70	20	DEID	
CCN(CC(=O)N1CCCc2ccccc21)Cc1cnn(C)c1	161079523	GEWUAHNDUNBSEF-UHFFFAOYSA-N	312.417	2.221	70	20	DEID	
O=C(CC1(O)CCCC1)Nc1cnc(-c2cccc(O)c2)nc1	161194442	ZJHAPXITSFCTSZ-UHFFFAOYSA-N	313.357	2.483	70	20	DEID	
C[C@@H](C(=O)NC1CCCCC1)N1CCN(c2ccncc2)CC1	161333446	GUKAYHVTBNENLX-HNNXBMFYSA-N	316.449	2.041	70	20	DEID	
CCC[C@H](C)CC(=O)N[C@H]1CCN(C(=O)c2ccccn2)C1	160149998	VWFIWFOQTGBWRZ-KBPBESRZSA-N	303.406	2.239	70	20	DEID	
CC(C)[C@@H](NC(=O)Nc1ccccc1C(F)(F)F)C(N)=O	160417166	FEXQJRVRPPAJKK-SNVBAGLBSA-N	303.284	2.337	70	20	DEID	
CCN(CC)CCC[C@H](C)NC(=O)/C=C/c1cnn(C)c1C	160646735	UTQGRODLKFHPOM-VNDWYCCKSA-N	306.454	2.368	70	20	DEID	
COc1ccc(NS(=O)(=O)c2cccc(C(C)=O)c2)c(C)n1	160661637	MASJZGINQJKFOB-UHFFFAOYSA-N	320.370	2.402	70	20	DEID	
CCCCN1CCc2ccc(NC(=O)[C@@H]3CN(C)CCO3)cc21	160962625	COSNAKGCFKEXMZ-KRWDZBQOSA-N	317.433	2.118	70	20	DEID	
CC[C@@H](NC(=O)Nc1ccc(C(=O)NC)cc1)[C@@H]1CCCO1	159852334	NCNSPMQAAZGJAL-KGLIPLIRSA-N	305.378	2.125	70	20	DEID	
CC(=O)N1CC[C@H](CN(C)C(=O)Nc2ccnc(C)c2Cl)C1	159942239	RCKLFZNBDYSFEU-GFCCVEGCSA-N	324.812	2.376	70	20	DEID	
C[C@H](C(=O)N(CC(N)=O)Cc1ccccc1)c1cccs1	159944781	QBCXGEUGUHKBQF-LBPRGKRZSA-N	302.399	2.366	70	20	DEID	
NC(=O)C[C@@H]1CCCN(C(=O)CCc2ccc(F)cc2F)C1	159958372	ZZFNVQGSEZYSLX-NSHDSACASA-N	310.344	2.011	70	20	DEID	
O=C(CCNCc1cc(Cl)cc(Cl)c1)N1CCOCC1	159486049	LXQDFFFMMXNHIX-UHFFFAOYSA-N	317.216	2.332	70	20	DEID	
C=CCCO[C@H](C)C(=O)Nc1cccc(S(=O)(=O)F)c1	274495067	OSMRUVUGYIKVJO-SNVBAGLBSA-N	301.339	2.265	70	20	DEID	
CCn1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)F)c2)c1	1338068056	KETUXJJFNDFJQW-UHFFFAOYSA-N	324.377	2.438	70	20	DEID	
CCS[C@@H]1CCCCN(C(=O)C(=O)Nc2nocc2C)C1	161163401	PUDXMDAGJOWUFF-LLVKDONJSA-N	311.407	2.056	70	20	DEID	
N[C@H]1CCC[C@@H](NC(=O)c2ccc(OCC(F)(F)F)nc2)C1	161334183	GBSIZKJSBIRBNE-WDEREUQCSA-N	317.311	2.022	70	20	DEID	
Cc1nccn1C[C@@H](C)CNC(=O)[C@H](O)c1ccccc1Cl	160150419	XRRDOUBSQWEBAI-XHDPSFHLSA-N	321.808	2.331	70	20	DEID	
CC(C)(C(=O)N1CCC(N2CCNC2=O)CC1)C1CCCC1	160509525	XZIXZRZZMLMOLI-UHFFFAOYSA-N	307.438	2.219	70	20	DEID	
CCOC(=O)CCCNC(=O)N[C@@H](C)C[C@@H](O)c1ccccc1	160534333	KZZBBVUTRDQUEX-DZGCQCFKSA-N	322.405	2.141	70	20	DEID	
CCOC(=O)NCCCC(=O)N[C@H]1CCc2cc(F)ccc21	160844310	VTNPUBHAOMBQMH-AWEZNQCLSA-N	308.353	2.456	70	20	DEID	
CCOCCNC(=O)[C@H]1CCN(c2ccc(C(C)C)cc2)C1=O	160911823	CTTMQJDHCDVXFP-MRXNPFEDSA-N	318.417	2.316	70	20	DEID	
C[C@H](NC(=O)[C@H](C)N(C)C[C@@H](C)O)c1ccc2c(c1)CCCC2	159507828	IDTYDEBTQWCTBA-ILXRZTDVSA-N	318.461	2.444	70	20	DEID	
CC(C)CN(CC(N)=O)C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1	159705369	ITFLSGCBPGZABE-MNOVXSKESA-N	308.344	2.325	70	20	DEID	
O=C(N[C@@H](CN1CCOCC1)c1ccccc1)C1=CCCC1	159721024	DAAKFPDNFKSIOA-KRWDZBQOSA-N	300.402	2.286	70	20	DEID	
O=C([C@@H]1CCCNC1)N1CCc2ccc(Br)cc21	159995030	NWBNGUNFKCDWJP-LLVKDONJSA-N	309.207	2.338	70	20	DEID	
O=C([C@H]1CSCN1)N1CCc2ccc(Br)cc21	159990815	XFXNMTDYFPCZTJ-SNVBAGLBSA-N	313.220	2.001	70	20	DEID	
CCN(C(=O)NCCC1CCCCC1)[C@@H]1CCS(=O)(=O)C1	217305171	ZGHWDJBTSBCLBV-CQSZACIVSA-N	316.467	2.175	70	20	DEID	
COC(=O)N1CCN(C(=O)Nc2c(F)cccc2Cl)CC1	217313384	RQZQVWBABLITAI-UHFFFAOYSA-N	315.732	2.395	70	20	DEID	
CCC[C@@H](OCC)C(=O)Nc1ccc(S(=O)(=O)F)cc1	460096983	YMOWMBKCAUWLHI-GFCCVEGCSA-N	303.355	2.489	70	20	DEID	
CC(C)CN1CCCC[C@@H]1CNC(=O)N[C@@H]1CCCC[C@@H]1O	161012332	FIALZRRSLBXIIL-OAGGEKHMSA-N	311.470	2.100	70	20	DEID	
CC[C@H]1CCCC[C@H]1N(C)C(=O)CS(=O)(=O)CC(C)C	161119763	FJXLMDRHUHEXGJ-UONOGXRCSA-N	303.468	2.484	70	20	DEID	
CNC[C@H]1CCCN1C(=O)CCSc1ccc(OC)cc1	161158605	LMRCWXGZVLCBFG-CYBMUJFWSA-N	308.447	2.388	70	20	DEID	
Cn1cnc(-c2ccc(NC(=O)NC[C@H]3CCCS3)cc2)n1	161368216	TZJRJNIOQWJOGQ-CYBMUJFWSA-N	317.418	2.499	70	20	DEID	
O=C(CSc1ncnc2[nH]cnc12)Nc1ccc(F)c(F)c1	161393451	GQXOJANVFHGZME-UHFFFAOYSA-N	321.312	2.362	70	20	DEID	
COCCOCCC(=O)O[C@@H](c1ccccn1)C(F)(F)F	160156887	BOPWVRKVRBTWEN-LBPRGKRZSA-N	307.268	2.281	70	20	DEID	
Cc1ccc(CNC(=O)Nc2ccn(CC(F)(F)F)n2)cn1	160290920	KHGWGSBIGFYWTI-UHFFFAOYSA-N	313.283	2.471	70	20	DEID	
CC(C)[C@H](CCO)NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1	160504089	OATCYEDVAUDBEY-IRXDYDNUSA-N	321.417	2.381	70	20	DEID	
C[C@@H]1C[C@@H](N[C@@H](CN2CCCC2=O)c2ccccc2)CCN1C	160660185	XPGAHWZLCJSHRI-NJAFHUGGSA-N	315.461	2.422	70	20	DEID	
COCC(C)(C)C(=O)NCc1cc2c(cc1OC)C[C@@H](C)O2	160905807	SCMDRKOKJVRMCK-LLVKDONJSA-N	307.390	2.307	70	20	DEID	
CS[C@H](CO)[C@H](C)NC(=O)Nc1ccn(CCC(C)C)n1	159714827	VMTLDIHCAPSKAL-NWDGAFQWSA-N	314.455	2.163	70	20	DEID	
Cc1cc(C(=O)N(C)CC(C)(C)CN2CCOCC2)c(C)o1	159931319	BXUCHSNUIVZNLB-UHFFFAOYSA-N	308.422	2.327	70	20	DEID	
COc1ccc(CNC(=O)[C@H]2CCC(=O)C[C@@H]2C)c(OC)c1	159775964	KRDCRCHMSPVMOW-NHYWBVRUSA-N	305.374	2.325	70	20	DEID	
C[C@H]1CCC[C@H]1C(=O)Nc1cncc(OS(=O)(=O)F)c1	2088595717	CZNSWGSLSNUPRS-GZMMTYOYSA-N	302.327	2.049	70	20	DEID	
CC[C@H](C)[C@@H](OC)C(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	857672903	LPUVVYOKGOMFGQ-QPUJVOFHSA-N	321.345	2.484	70	20	DEID	
Cc1conc1NC(=O)C(=O)NCC(C)(C)c1cccs1	161202647	RCSQCRSOJPZDEF-UHFFFAOYSA-N	307.375	2.077	70	20	DEID	
NC(=O)C[C@H]1CCCN(C(=O)Nc2c(F)cc(F)cc2F)C1	161314256	SKFLAKPNNJODQU-MRVPVSSYSA-N	315.295	2.223	70	20	DEID	
CC(C)c1ncc(C(=O)N2CCC(C3OCCO3)CC2)s1	161334454	KSJRERNEEYCEKI-UHFFFAOYSA-N	310.419	2.492	70	20	DEID	
CC[C@H](NC(=O)[C@@H]1CCCN(C(C)=O)C1)c1c(C)noc1C	160056205	NRZXTPSQCREEEC-KGLIPLIRSA-N	307.394	2.117	70	20	DEID	
O=C(NCCn1cccc1)C(=O)Nc1ccc(F)cc1Cl	160256866	RWZJTDJSPSCWLL-UHFFFAOYSA-N	309.728	2.036	70	20	DEID	
CSc1ccc(C(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)cc1	160580432	FSFZTUGUHZDYIT-TZMCWYRMSA-N	304.415	2.149	70	20	DEID	
CN[C@@H]1CCN(C(=O)c2cn(C)nc2-c2ccccc2Cl)C1	160805013	BTHARELICMLKLF-LLVKDONJSA-N	318.808	2.174	70	20	DEID	
CCS(=O)(=O)c1cccc(CC(=O)N[C@H]2CCC[C@H]2C)c1	159826169	FNHNKUASSHUQIM-DOMZBBRYSA-N	309.431	2.328	70	20	DEID	
CCC(=O)N1CCCN(C(=O)c2cnc(C(C)C)s2)CC1	159450654	UAXSBEABFGAYMD-UHFFFAOYSA-N	309.435	2.351	70	20	DEID	
COC(=O)c1ccc(CNC(=O)c2oc(C)nc2C)cc1OC	159942332	RCJQWIYOCZGQQX-UHFFFAOYSA-N	318.329	2.017	70	20	DEID	
Cc1ncc(CN2CCC(CC(N)=O)CC2)n1-c1ccccc1	159777829	MWFNYXWKPPHTSD-UHFFFAOYSA-N	312.417	2.268	70	20	DEID	
C#C[C@H](CC)NC(=O)c1cc(S(=O)(=O)F)ccc1Cl	1354996987	SXYSDAWKUACBCZ-MRVPVSSYSA-N	303.742	2.140	70	20	DEID	
C[C@@H](NC(=O)CN1CCN(c2ccncc2)CC1)c1ccccc1	161298677	MSZQXJGILVRYIJ-MRXNPFEDSA-N	324.428	2.081	70	20	DEID	
COC(=O)[C@@](C)(NCC1CCN(C(=O)C(C)(C)C)CC1)C1CC1	161348618	CLHPNZRCHHPSMF-SFHVURJKSA-N	324.465	2.202	70	20	DEID	
C[C@@H]1CCC[C@H]1NC(=O)N1CCN(Cc2ccccn2)CC1	160079340	MHZXFNJKYWRVQX-GDBMZVCRSA-N	302.422	2.097	70	20	DEID	
O=C(C1=CCCC1)N1CCN(Cc2cn3ccccc3n2)CC1	160168577	OKLHCEQHJZDPAC-UHFFFAOYSA-N	310.401	2.089	70	20	DEID	
COc1cccc2c1CC[C@H]2NC(=O)NCCCn1ccnc1	160278362	MCNSKUBWPHBPLM-OAHLLOKOSA-N	314.389	2.269	70	20	DEID	
Cc1ccc(CN(C)[C@H]2CCCN(c3cnn(C)c3)C2=O)s1	160436707	GYGKDPCYVFRUGU-HNNXBMFYSA-N	318.446	2.417	70	20	DEID	
CCC[C@@](C)(CO)NC(=O)NCCOCc1cccc(OC)c1	160579768	ILJCIXURECXPBO-KRWDZBQOSA-N	324.421	2.062	70	20	DEID	
N[C@@H](CCC(=O)NCCCOC[C@@H]1CCOC1)c1ccccc1	160583812	VBAWVUDLAFKASG-RDJZCZTQSA-N	320.433	2.026	70	20	DEID	
CCC[C@](C)(NC(=O)c1cncc(OC(C)C)c1)C(=O)OC	160733834	VBXWYHWHSIEQBS-INIZCTEOSA-N	308.378	2.330	70	20	DEID	
Cc1csc(N(C(=O)COc2c(C)nn(C)c2C)C2CC2)n1	160746581	PTNMWNLIUIRIQE-UHFFFAOYSA-N	320.418	2.376	70	20	DEID	
CCc1nnc(NC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)s1	160930691	RYLYVVVGYXSGKO-GDPRMGEGSA-N	308.407	2.180	70	20	DEID	
CC1=C(C(=O)Nc2ccc(CCS(C)(=O)=O)cc2)CCCO1	160967478	XMGVVDPNDXSDFG-UHFFFAOYSA-N	323.414	2.297	70	20	DEID	
CCc1ccc([C@@H](CO)NC(=O)N[C@H]2CCCSC2)cc1	159481227	YTRLPQGQJCFSPP-LSDHHAIUSA-N	308.447	2.477	70	20	DEID	
COc1cccnc1N(C)S(=O)(=O)Cc1ccc(F)cc1	159559842	BLTRKWVVKGQWKC-UHFFFAOYSA-N	310.350	2.196	70	20	DEID	
CC[C@H](C(=O)N1CCC(N(C)c2ccccc2)CC1)N(C)C	159957403	CZESAZHPAGGCKU-QGZVFWFLSA-N	303.450	2.454	70	20	DEID	
CC(C)C[C@@H](CCO)CNC(=O)NCC(C)(C)[C@H](O)C(C)C	159377108	ZFWSHEAACSJFCJ-HUUCEWRRSA-N	316.486	2.373	70	20	DEID	
C[C@H](CC(F)(F)F)NC(=O)c1cccc(S(=O)(=O)F)c1	1349533705	VHNPKIOMYAAVSJ-SSDOTTSWSA-N	313.272	2.416	70	20	DEID	
CC1(C)CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1521437022	BEXMTZVIWUNVCO-VIFPVBQESA-N	302.371	2.229	70	20	DEID	
O=C(Nc1ccc(OCC2CCOCC2)cc1)[C@H]1CCCNC1	161035852	HABUFEONKVDAIO-HNNXBMFYSA-N	318.417	2.430	70	20	DEID	
CN(C)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)c1nnc[nH]1	161078904	AEWRSZGSFFWCFM-JTQLQIEISA-N	313.283	2.184	70	20	DEID	
CO[C@H]1CCCN(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)C1	161110651	AOCQQZVIMUCIJM-AWEZNQCLSA-N	315.377	2.125	70	20	DEID	
CCc1nc([C@@H](C)NC(=O)c2cnc3c(c2)ncn3C)cs1	160472332	JNZIVBPWFPBXDR-SECBINFHSA-N	315.402	2.478	70	20	DEID	
CCC[C@@H]1CN(C(=O)NC2CCN(C(C)(C)C)CC2)CCO1	160472367	MTHNEQOXYMIUEP-OAHLLOKOSA-N	311.470	2.460	70	20	DEID	
CN[C@@H]1CCN(C(=O)CS[C@@H](C)c2nc3ccccc3[nH]2)C1	160552878	DKDQIKGFWASOIQ-NWDGAFQWSA-N	318.446	2.177	70	20	DEID	
CCCN(C)Cc1nc(N)c2c(C(=O)OCC)c(C)oc2n1	160727830	PTLWTEBSXWGVPF-UHFFFAOYSA-N	306.366	2.132	70	20	DEID	
COc1cc(N)c(Cl)cc1C(=O)NCC(C)(C)C[C@H](C)O	160951071	ITGVZJPKHGVETQ-VIFPVBQESA-N	314.813	2.458	70	20	DEID	
CN(C(=O)N[C@@H]1CCCSC1)[C@@H]1CCCc2c1cnn2C	159427278	VCXMVGUCHLNIQI-DGCLKSJQSA-N	308.451	2.335	70	20	DEID	
CC[C@@H](c1ccccc1)N(CC(=O)NC(C)C)CC(=O)OC	159661370	QUVUOPIHOQBFBD-HNNXBMFYSA-N	306.406	2.137	70	20	DEID	
O=C(NC[C@H](O)c1ccsc1)[C@H]1CC(c2ccccc2)=NO1	159663502	FZEOQSNOUVPCRG-LSDHHAIUSA-N	316.382	2.091	70	20	DEID	
CCCC(=O)NC[C@@H]1CCCN(Cc2cnc3ccccn23)C1	159542584	IWKMRTDGFGLLCC-HNNXBMFYSA-N	314.433	2.463	70	20	DEID	
O=C(c1cccc(S(=O)(=O)F)c1)N1C[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1	1338817505	OZZRKXRWMXNLMA-LWWSYDQCSA-N	321.373	2.239	70	20	DEID	
O=S(=O)(F)c1ccc(N2CCC[C@H]2[C@H]2CCCOC2)nc1	1550628264	KPZCTYWIIICSGC-AAEUAGOBSA-N	314.382	2.135	70	20	DEID	
COC[C@H](O)CCNC(=O)CCc1ccc(CC(C)C)cc1	161256088	DUXVFICYPWYBFB-QGZVFWFLSA-N	307.434	2.331	70	20	DEID	
COC(=O)[C@](C)(NC(=O)Cc1ccc(F)cc1Cl)C1CC1	161292799	OGZJYADUIVMZQX-OAHLLOKOSA-N	313.756	2.480	70	20	DEID	
CC(=O)N1CCC(C(=O)N2CCc3c(Cl)cccc32)CC1	161433978	OYRBBPMIUXPDGF-UHFFFAOYSA-N	306.793	2.488	70	20	DEID	
CC(C)NC(=O)CCNC(=O)[C@H]1C[C@H]1c1cccc(F)c1F	160028024	LWIWFNXXGJQWSN-RYUDHWBXSA-N	310.344	2.099	70	20	DEID	
Cc1cccc([C@@H](NC(=O)CCn2cncn2)c2ccccn2)c1	160038228	KQBQJOAESNJDHU-GOSISDBHSA-N	321.384	2.277	70	20	DEID	
CCNC(=O)N1CCN(C(=O)[C@H]2C[C@H]2c2sccc2C)CC1	160095551	ACBWQKAZJUCTDF-OLZOCXBDSA-N	321.446	2.034	70	20	DEID	
COc1cccc2c1CC[C@@H]2NC(=O)NCCCn1ccnc1	160278231	MCNSKUBWPHBPLM-HNNXBMFYSA-N	314.389	2.269	70	20	DEID	
CCCN(CCN(CC)CC)C(=O)Nc1cccc(C(N)=O)c1	160532824	AEXFMQYPGQYKDR-UHFFFAOYSA-N	320.437	2.371	70	20	DEID	
CCN(CC)CCCNC(=O)N[C@@H]1[C@H]2Cc3ccccc3[C@@H]21	160663894	MGTDUYYQOMNGOR-YESZJQIVSA-N	301.434	2.356	70	20	DEID	
O=C([C@@H]1CCCO1)N1CCN(Cc2coc3ccccc23)CC1	160978519	ZIZYIWVKTXDBPS-KRWDZBQOSA-N	314.385	2.256	70	20	DEID	
NC1(CNC(=O)Cc2ccc(-n3cccn3)cc2)CCCCC1	159622473	ROIKUAFEBYUAGW-UHFFFAOYSA-N	312.417	2.193	70	20	DEID	
CC[C@H](NC(=O)NC[C@H]1CCCS1(=O)=O)c1ccc(C)cc1	159673761	UUORNHIFUBVEAC-CABCVRRESA-N	324.446	2.323	70	20	DEID	
CCOC(=O)CN(C)[C@H](C)C(=O)Nc1ccc(F)cc1Cl	159506837	ZMKRDPFBBMITJK-SECBINFHSA-N	316.760	2.301	70	20	DEID	
CCOCCC1(CNC(=O)[C@@H]2CCCN(C(=O)CC)C2)CCC1	159533509	XTRZZNQIDBTSQS-OAHLLOKOSA-N	324.465	2.348	70	20	DEID	
CCC(=O)N1CCCC[C@H]1C(=O)N[C@H]1CCOC2(CCCC2)C1	159734332	ZOQPGEBLAGPDAR-GJZGRUSLSA-N	322.449	2.386	70	20	DEID	
C[C@@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC[C@@H]1O	159375905	JWVMLSCNJKGPSH-SKDRFNHKSA-N	323.336	2.097	70	20	DEID	
O=C(NCCN1CCNCC1)Nc1ccc(-c2ccccc2)cc1	217268997	AFRPDVCTYMOWCW-UHFFFAOYSA-N	324.428	2.380	70	20	DEID	
O=C(CC[C@H]1CCCO1)Nc1cccc(S(=O)(=O)F)c1	460095722	SIKQQYQQUVQRMC-LLVKDONJSA-N	301.339	2.243	70	20	DEID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)[C@@H](F)C(F)(F)F	865205263	VJYHZYSOBNBBNS-SSDOTTSWSA-N	303.208	2.184	70	20	DEID	
CC[C@@H]1CC[C@@H](C)N(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1262788054	RBODEDZEWNNAEY-NXEZZACHSA-N	302.371	2.324	70	20	DEID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N[C@H](C)C(F)(F)F	1262800871	BBJMLQHBQGISOC-SSDOTTSWSA-N	313.272	2.334	70	20	DEID	
CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NC[C@H](C)CCO	161075516	MZLRWJSKEJLFNB-DYVFJYSZSA-N	316.401	2.085	70	20	DEID	
Cc1ccc(OCCNC(=O)N[C@@H](CCO)C(C)(C)C)cc1	161197003	MALHLRMEHZOMIM-HNNXBMFYSA-N	308.422	2.470	70	20	DEID	
C[C@H](NC(N)=O)C(=O)N1CCCC[C@@H]1CCCc1ccccc1	161200429	GXZLHAJLPRJRDG-GOEBONIOSA-N	317.433	2.447	70	20	DEID	
CN(CC(=O)NCCc1cc2ccccc2[nH]1)[C@H]1CCSC1	161447067	AKZAXXIHQLGSIB-HNNXBMFYSA-N	317.458	2.264	70	20	DEID	
COc1ccccc1CN(CCCCS(C)(=O)=O)C1CC1	161506930	KQSVFOAYAWNUQK-UHFFFAOYSA-N	311.447	2.484	70	20	DEID	
CC[C@@H](C)N(C)CCN[C@@H](C)Cn1cc(Br)cn1	160105405	FHRYZMCACUWOPK-NWDGAFQWSA-N	317.275	2.354	70	20	DEID	
O=C1C[C@@H](C(=O)N[C@@H]2CCSc3c(F)cccc32)CCN1	160196917	BPWIVBQGBFTHJP-JOYOIKCWSA-N	308.378	2.005	70	20	DEID	
CN(C[C@H]1CCC[C@H]1O)C(=O)NCCc1cc(F)cc(F)c1	160364516	UAPOGEPPNGBECA-IUODEOHRSA-N	312.360	2.310	70	20	DEID	
Cc1cc(CC(=O)NCCc2csc(C(C)(C)C)n2)n[nH]1	160607813	IYYZNOMVFWUERC-UHFFFAOYSA-N	306.435	2.374	70	20	DEID	
COc1ccc(CCC(=O)N[C@@H](CCO)C(C)C)cc1OC	160611169	METLIAVDMYSRHD-AWEZNQCLSA-N	309.406	2.160	70	20	DEID	
Cc1noc(Cl)c1CC(=O)NC[C@@H](C)CN1CCCCC1	160692318	HBNWSBFLBRTZGU-LLVKDONJSA-N	313.829	2.417	70	20	DEID	
Cc1cc(NC(=O)c2cccc(=O)n2C)n(Cc2ccccc2)n1	160829359	FUTLYXTTWBDKTB-UHFFFAOYSA-N	322.368	2.191	70	20	DEID	
CC(C)(C)c1nsc(N2CCC[C@@H](Cn3cncn3)C2)n1	159400505	RCWFJHATTVQVQJ-LLVKDONJSA-N	306.439	2.344	70	20	DEID	
CCN1CCN(CCCNC(=O)[C@@H](C)c2cccc(C)c2)CC1	159808508	ISTRAKACSDOADQ-KRWDZBQOSA-N	317.477	2.242	70	20	DEID	
CN(C)Cc1ccc(C(=O)Nc2ccc3oc(=O)[nH]c3c2)cc1	159629769	AMKCUONQSNZJDC-UHFFFAOYSA-N	311.341	2.435	70	20	DEID	
Cc1nccn1CCCN(C)C(=O)c1ccc2c(c1)N(C)CC2	159468395	PQAZSSSCAPANMG-UHFFFAOYSA-N	312.417	2.346	70	20	DEID	
NC1(CNC(=O)c2ncccc2OCC(F)F)CCCCC1	159475735	WJWHDKXVPBVITO-UHFFFAOYSA-N	313.348	2.117	70	20	DEID	
Cc1ccc(O[C@@H](C)CNC(=O)c2cnc3c(c2)ncn3C)cc1	159909218	KAICNAWVQJAWNW-ZDUSSCGKSA-N	324.384	2.474	70	20	DEID	
Cn1c(SCc2noc(C3CC3)n2)nnc1-c1ccccn1	159510603	GKVXUKPRIYETRZ-UHFFFAOYSA-N	314.374	2.430	70	20	DEID	
CCN(CC)c1ccc(CNC(=O)[C@@H](O)c2ccccc2)cn1	159786942	ZXPUKVXCMPVXGF-KRWDZBQOSA-N	313.401	2.278	70	20	DEID	
Cc1cccc(CSCC(=O)N(CC(N)=O)CC(C)C)c1	159791863	ODIOYRSHJLAOEH-UHFFFAOYSA-N	308.447	2.198	70	20	DEID	
CC[C@@H](C)[C@@H](OC)C(=O)Nc1cccc(S(=O)(=O)F)c1	460088049	BWLFLGORZQETDK-BXKDBHETSA-N	303.355	2.344	70	20	DEID	
O=C(CCc1ccc(S(=O)(=O)F)cc1)NCc1ccco1	685945140	XUDSFNPIMQYZPD-UHFFFAOYSA-N	311.334	2.187	70	20	DEID	
COCCN(CCNCc1cscn1)C(=O)OC(C)(C)C	218143343	IFNLDSMJCSBXIC-UHFFFAOYSA-N	315.439	2.116	70	20	DEID	
C[C@H](CNC(=O)NCc1ccccc1CO)CN1CCCCC1	161117394	SZQSUNAKFPMTGI-OAHLLOKOSA-N	319.449	2.100	70	20	DEID	
COCc1nc2n(n1)C[C@H](Nc1cc(C)nc(C(C)C)n1)CC2	161372994	BRAKKUCGHGGJSA-GFCCVEGCSA-N	316.409	2.073	70	20	DEID	
CNC(=O)[C@H](C)CN(C)C(=O)CCOc1ccccc1C(C)C	160416588	MWAALUVTPFLIQV-CQSZACIVSA-N	320.433	2.419	70	20	DEID	
Cc1ccc(C(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)cn1	160472979	HRBHJKLRLDNQAI-UHFFFAOYSA-N	322.361	2.326	70	20	DEID	
CN[C@H]1CCN(C(=O)c2csc(-c3ccccc3OC)n2)C1	160577875	XTIWRLHYVLLGKO-NSHDSACASA-N	317.414	2.253	70	20	DEID	
CCCOc1ccc(S(=O)(=O)N2CCC(C)(O)CC2)cc1	160619804	FWPBLAJHWCFOFL-UHFFFAOYSA-N	313.419	2.011	70	20	DEID	
CCc1noc(C)c1CS(=O)(=O)CCc1c(C)noc1C	159681103	CYCOWXWSVJIGKG-UHFFFAOYSA-N	312.391	2.308	70	20	DEID	
CN(C)c1cccc(CNC(=O)NC[C@H]2Cc3ccccc32)n1	159888264	JDYBDBAXJZKXIL-CQSZACIVSA-N	310.401	2.287	70	20	DEID	
CCc1cccc(C(=O)N2CCC(Cn3ccnn3)CC2)c1O	159525509	ZOSUGZAHOOXRPC-UHFFFAOYSA-N	314.389	2.099	70	20	DEID	
CC(C)CN(CC(N)=O)C(=O)CCOc1cccc(Cl)c1	159721131	KEYVRFZHZKPJOE-UHFFFAOYSA-N	312.797	2.079	70	20	DEID	
CC(=O)N1CC[C@@H](NC(=O)CCOc2cc(C)cc(C)c2C)C1	159739109	OEUGCUSAKSIPSQ-MRXNPFEDSA-N	318.417	2.118	70	20	DEID	
CCN(C(=O)CCNC(C)C)[C@@H]1CCN(c2ccccc2)C1=O	159771211	WEOKZHCDILFGCR-MRXNPFEDSA-N	317.433	2.029	70	20	DEID	
C[C@@H]1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H](C)C1	1348695872	IJKDMBCXCYRGIK-KKZNHRDASA-N	302.371	2.227	70	20	DEID	
CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@H]1CCc2ccccc21	1346210170	ZXYGXBPBRZKJCH-AWEZNQCLSA-N	322.361	2.432	70	20	DEID	
CCN(C)Cc1cccc(CNC(=O)N2CCC[C@@](C)(O)C2)c1	161310740	YCLGFAHBVDGBHE-GOSISDBHSA-N	319.449	2.195	70	20	DEID	
N[C@H]1CCC[C@@H](NC(=O)c2ccc(NC(=O)C3CC3)cc2)C1	161356201	KDZPHIJAWNWDPR-DZGCQCFKSA-N	301.390	2.035	70	20	DEID	
CC[C@H]1CCCCN1CCNC(=O)NCCc1ccncc1C	161389608	QEYVYQZUOFXWNV-KRWDZBQOSA-N	318.465	2.496	70	20	DEID	
CC(=O)N1CC[C@H](C(=O)Nc2[nH]nc(-c3ccc(C)o3)c2C)C1	161507627	GHFNDRPIWXIFHI-LBPRGKRZSA-N	316.361	2.093	70	20	DEID	
CCCN(CC(=O)N(C)C)C(=O)CCc1ccc(F)cc1F	160194152	UUVNHSSQERHKEM-UHFFFAOYSA-N	312.360	2.224	70	20	DEID	
COc1cccc(OC)c1C(=O)NCCc1cccc(O)c1	160227081	LNZAROOLSDHSKJ-UHFFFAOYSA-N	301.342	2.382	70	20	DEID	
CCOc1cc(CN2CCC[C@H]2C(N)=O)ccc1OC(F)F	160367739	VPMHQZPTKYKDCW-NSHDSACASA-N	314.332	2.136	70	20	DEID	
CSCC[C@H](N)C(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1	160385124	SUMQOSOTYDSKIT-ZFWWWQNUSA-N	310.438	2.297	70	20	DEID	
CCc1n[nH]c(=O)c(CNC(=O)N2CCCC[C@@H]2CC)c1CC	160436282	DZWLQSLNTWIPIW-LBPRGKRZSA-N	320.437	2.369	70	20	DEID	
CC1=C(C(=O)Nn2cnc3sc(C)c(C)c3c2=O)CCCO1	160636290	IGGNWSHXSNGBKM-UHFFFAOYSA-N	319.386	2.229	70	20	DEID	
CN[C@@H]1CCN(C(=O)C[C@H]2CCCc3cc(OC)ccc32)C1	160669530	MSZZLURFJCUCCP-HUUCEWRRSA-N	302.418	2.326	70	20	DEID	
COC[C@@H](O)CCNC(=O)C[C@@H](c1ccccc1)C(F)(F)F	160806565	QKPXKTXAAVVANY-STQMWFEESA-N	319.323	2.236	70	20	DEID	
Cc1ccc(/C=C/C(=O)N(C)CC(C)(C)CN2CCOCC2)o1	159635717	HONMHHADGWBKOX-BQYQJAHWSA-N	320.433	2.418	70	20	DEID	
CC(C)C[C@H](CNC(=O)N1CCC2(CCC2)C1)N1CCOCC1	159870078	MZOVGHINLFAYMA-MRXNPFEDSA-N	323.481	2.319	70	20	DEID	
C[C@@H](CCO)NC(=O)NCC(C)(C)N[C@H](C)c1ccccc1	159873695	PJNBMRLRRHKLCH-UONOGXRCSA-N	307.438	2.186	70	20	DEID	
COc1ccc(NC(=O)C(=O)N2CCC3(CCC3)C2)cc1F	159382492	NUFBYTFZQIDWRH-UHFFFAOYSA-N	306.337	2.175	70	20	DEID	
COCCC1(C(=O)Nc2ccc(N3CCOC3=O)cc2)CC1	159571831	GWONCDPKQAEKBD-UHFFFAOYSA-N	304.346	2.398	70	20	DEID	
COc1cc2c(cc1OC)CN(Cc1cn(C)nc1C)CC2	159773915	ADKGVWNNYIRSJJ-UHFFFAOYSA-N	301.390	2.304	70	20	DEID	
CC[C@H]1CC[C@@H](C(=O)Nc2ccc(S(=O)(=O)F)c(F)c2)O1	857674984	WYAOFTPABZXVHV-ONGXEEELSA-N	319.329	2.380	70	20	DEID	
CC(F)(F)CCNC(=O)Cc1ccc(S(=O)(=O)F)cc1	1338940164	ZDDDOBAXJVJCDR-UHFFFAOYSA-N	309.309	2.049	70	20	DEID	
CS[C@@H](C)CNC(=O)c1ccc(S(=O)(=O)F)cc1C	1262784264	IWBFEWIQDDFLIZ-VIFPVBQESA-N	305.396	2.135	70	20	DEID	
Cc1ncc(CN2CCC[C@H](c3nnc4n3CCC4)C2)s1	161393136	TWJLCBFUDAFNQO-LBPRGKRZSA-N	303.435	2.369	70	20	DEID	
CNC(=O)[C@@H]1CCCCN1C(=O)c1cc(F)cc2cccnc12	160033483	XEBUMAVMDBXIFG-AWEZNQCLSA-N	315.348	2.115	70	20	DEID	
C[C@H]1CN(C(=O)NC[C@@H]2CCCO2)C[C@H](c2ccsc2)O1	160180483	UUKXOEJCVXPVLU-FPMFFAJLSA-N	310.419	2.399	70	20	DEID	
CCC(CC)(CNC(=O)N(C)CC1CCOCC1)C(=O)OC	160207710	SZJGYHNMHUFWEH-UHFFFAOYSA-N	314.426	2.034	70	20	DEID	
COc1ccc(N(C)C(=O)[C@@H]2CCN(C(C)=O)C2)cc1Cl	160311118	GCBNZQBOBBATHC-LLVKDONJSA-N	310.781	2.180	70	20	DEID	
COCCCCNC(=O)N1CCC[C@H]1C[C@H](O)c1ccco1	160378799	YWOYJDBAJMMFSV-KBPBESRZSA-N	310.394	2.304	70	20	DEID	
O=C(N[C@@H]1CCO[C@H](C2CC2)C1)N(C[C@@H]1CCOC1)C1CC1	160388712	CAATXBUIPITMSZ-BJJXKVORSA-N	308.422	2.155	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)c1occc1Br	160452310	RHQUAXTUXYTHNL-ZETCQYMHSA-N	304.140	2.114	70	20	DEID	
C[C@@H](CO)NC(=O)Cc1ccccc1NC(=O)OC(C)(C)C	160613236	VPAQSZMKZVZPIL-NSHDSACASA-N	308.378	2.073	70	20	DEID	
N[C@H]1CCC[C@H](NC(=O)C2(c3cccc(F)c3)CCOCC2)C1	160860213	ASCVTBWIPZOORK-HOTGVXAUSA-N	320.408	2.260	70	20	DEID	
CC[C@@H](O)CCNC(=O)N[C@H](C)c1cccc(NC(C)=O)c1	160936804	APEPERZPVZTBGL-IAQYHMDHSA-N	307.394	2.166	70	20	DEID	
N[C@@H](CNC(=O)Nc1ccc(OC(F)(F)F)cc1)C1CC1	159811479	ADZLBQUNTWQAJY-NSHDSACASA-N	303.284	2.444	70	20	DEID	
Cc1ccccc1CNC(=O)[C@H](C)N(C)C[C@@H]1CCC[C@@H]1O	159690701	HPZMOBBYUHBFJD-XIRDDKMYSA-N	304.434	2.093	70	20	DEID	
CC(C)CONC(=O)Nc1cc(F)cc(N2CCOCC2)c1	159732424	MOLBNZPQWDGAJD-UHFFFAOYSA-N	311.357	2.371	70	20	DEID	
Cc1cc(NC(=O)[C@@H]2CCCN2Cc2ccccc2)c[nH]c1=O	159770910	VWRHWKCWYLMOEW-INIZCTEOSA-N	311.385	2.286	70	20	DEID	
CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)N(C)Cc2cc(C)on2)C1	159972950	ZJYHCIKQVAIEQA-OCCSQVGLSA-N	321.421	2.226	70	20	DEID	
CCOc1ccccc1C(=O)NCC(=O)NCC1(C2CC2)CC1	159973582	RJTXMSUTWSJHJN-UHFFFAOYSA-N	316.401	2.122	70	20	DEID	
COC[C@@H](O)CCNC(=O)CCc1cc(Cl)cc(Cl)c1	160820955	QFKPLCHMPVONDL-ZDUSSCGKSA-N	320.216	2.440	70	20	DEID	
CCOC(=O)c1sc2nc(CCCl)[nH]c(=O)c2c1C	55494084	ZLSVVUBDPMYLBY-UHFFFAOYSA-N	300.767	2.251	70	20	DEID	
CC(C)(C)NCCC(=O)Nc1cccc(S(=O)(=O)F)c1	904587574	QRHVNPHUHNCHSX-UHFFFAOYSA-N	302.371	2.062	70	20	DEID	
CCC[C@@H](N)C(=O)Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1	161040458	DJLJGTKIALVKSU-PMPSAXMXSA-N	306.406	2.435	70	20	DEID	
CCc1ccc(/C=C/C(=O)N(C)Cc2nc(CCOC)no2)o1	161068367	RXGRLWQAYSTOIZ-BQYQJAHWSA-N	319.361	2.086	70	20	DEID	
COc1cc(NCCNC(=O)C2=C(C)OCCC2)cc(OC)c1	161320285	PFUYVSZZUZJLJW-UHFFFAOYSA-N	320.389	2.316	70	20	DEID	
C[C@@H](CC(=O)Nc1cc(C2CCOCC2)[nH]n1)[C@H]1CCCNC1	161331651	VUNTXZNRMULNQZ-JSGCOSHPSA-N	320.437	2.268	70	20	DEID	
CC[C@@H](C(=O)N[C@@H]1CCN(C(C)C)C1=O)c1ccc(F)cc1	160040253	UUMGKJBZNNRXOQ-HUUCEWRRSA-N	306.381	2.445	70	20	DEID	
CC1CCN(CCNC(=O)N(CCN(C)C)C2CCCC2)CC1	160272257	IXGFVBOKUOIOKZ-UHFFFAOYSA-N	324.513	2.234	70	20	DEID	
CO[C@@H]1CCC[C@H]1NC(=O)c1cccc(Nc2cnn(C)c2)c1	160576746	UKYWPTRLUCQRNU-HZPDHXFCSA-N	314.389	2.461	70	20	DEID	
CC(=O)NCC(=O)NCc1ccc(Oc2ccc(F)cc2)cc1	160649966	QFZWEGDMQANNGL-UHFFFAOYSA-N	316.332	2.370	70	20	DEID	
COCCOC[C@@H]1CCN(Cc2c(C)nc3ccccn23)C1	160849709	JGZOSHYWFXZCEW-OAHLLOKOSA-N	303.406	2.128	70	20	DEID	
COCCC1(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CCC1	159633832	VNTSHFHDFUTCGQ-QGZVFWFLSA-N	318.461	2.482	70	20	DEID	
CO[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(C)c(Cl)c1	159922596	KJLBOWOHWQKXPA-CHWSQXEVSA-N	310.781	2.271	70	20	DEID	
Cc1cnn(CCC(=O)NCc2nc3cccc(C)c3n2C)c1	159784473	XQNUAFDGOCBAJI-UHFFFAOYSA-N	311.389	2.093	70	20	DEID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)c1ccnn1C(F)F	864238411	KHBRPDHEMPWKGQ-UHFFFAOYSA-N	319.264	2.189	70	20	DEID	
CC(C)O[C@H]1C[C@@H](NC(=O)c2ccc(S(=O)(=O)F)cc2)C1	864244188	NFCGLKAZFFKJEP-TXEJJXNPSA-N	315.366	2.031	70	20	DEID	
CCCCOCC(=O)Nc1ccc(F)c(CS(=O)(=O)F)c1	876319339	SULYAMVUUJVIPX-UHFFFAOYSA-N	321.345	2.380	70	20	DEID	
C[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@H]1C[C@H]2CC[C@H]1C2	1354031795	KUGVTABGKWBREZ-FYLLDIAZSA-N	314.382	2.227	70	20	DEID	
COCCC1(CNC(=O)N[C@H]2CCN(CC3CC3)C2)CCCC1	161108121	CJRIFMGPTMPJCL-INIZCTEOSA-N	323.481	2.367	70	20	DEID	
CCC(CC)(CN)C(=O)NC[C@H](c1ccc(F)cc1)N(C)C	161269413	UQHGUXOIDGDLRG-OAHLLOKOSA-N	309.429	2.310	70	20	DEID	
CSC[C@H](CCO)N[C@@H](C)c1cccc(N2CCOC2=O)c1	160262044	JCULFYSCXLOXLU-JSGCOSHPSA-N	324.446	2.408	70	20	DEID	
CCN(CC)C(=O)CCC(=O)N[C@@H]1CCOC2(CCCC2)C1	160270668	CNJQKFLSJKXTAK-CQSZACIVSA-N	310.438	2.243	70	20	DEID	
CCOC(=O)C[C@H](C)CNC(=O)N1CCc2cccc(F)c2C1	160332569	KHYXJSQGQAXKCM-LBPRGKRZSA-N	322.380	2.483	70	20	DEID	
COC(=O)C[C@@H]1CN(C(=O)c2cccc(C)c2Cl)CCO1	160408314	BWFQETWKFACBSL-LLVKDONJSA-N	311.765	2.053	70	20	DEID	
CN[C@@H]1CCN(C(=O)c2cnn(-c3ccccc3)c2C2CC2)C1	160709037	IBCMNQXMWAQHGW-CQSZACIVSA-N	310.401	2.184	70	20	DEID	
CC[C@@H](NC(=O)CCCNC(=O)C1CC1)c1c(C)noc1C	160749205	XKCHDMFTMRJIMO-CYBMUJFWSA-N	307.394	2.165	70	20	DEID	
CC(C)c1cc(=O)n(CC(=O)N(C)[C@@H]2CCCC[C@@H]2C)cn1	160876343	CBGUKGPLVJATJY-DZGCQCFKSA-N	305.422	2.404	70	20	DEID	
Cc1cc(NC(=O)c2cccc(N3CCCC3=O)c2)c[nH]c1=O	159416460	ZEIQVGNHZRQEPK-UHFFFAOYSA-N	311.341	2.062	70	20	DEID	
O=C(N[C@@H](c1cccc(Cl)c1)C1CCCC1)c1nc(=O)[nH][nH]1	159831858	GJMNTJCTQIMLPM-GFCCVEGCSA-N	320.780	2.413	70	20	DEID	
CCC[C@H]1CN(C(=O)NCCc2cn3ccccc3n2)CCO1	159464849	GRPPLGRHPMSFHF-HNNXBMFYSA-N	316.405	2.087	70	20	DEID	
CC(C)C(=O)NCCCNC(=O)Nc1ccc2c(c1)CCC2	159512158	LPGREURYHVWXDW-UHFFFAOYSA-N	303.406	2.459	70	20	DEID	
CCCCc1nc(Cn2cnc3cc(OC)ccc3c2=O)no1	159913881	NKFHZJYXZKMROY-UHFFFAOYSA-N	314.345	2.179	70	20	DEID	
O=C(/C=C\[C@@H]1CCOC1)Nc1ccc(S(=O)(=O)F)c(F)c1	857672857	KUHAPXRVDNFNSL-RZXPJHQTSA-N	317.313	2.015	70	20	DEID	
O=C(CCc1ccc(S(=O)(=O)F)cc1)NC/C=C/Cl	1349956838	GIRMUORRRNJXNW-UNXLUWIOSA-N	305.758	2.146	70	20	DEID	
O=C(Nc1ccc2[nH]ccc2c1)c1cc(S(=O)(=O)F)c[nH]1	1347189034	KSMCBMTVAQKENC-UHFFFAOYSA-N	307.306	2.407	70	20	DEID	
C[C@@H]1CCC[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1350747381	KEQAFVVHWMKGJA-NXEZZACHSA-N	302.371	2.229	70	20	DEID	
CCCN(Cc1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1	161090893	TZSURUMNLGBRJI-MRXNPFEDSA-N	324.446	2.044	70	20	DEID	
C[C@@H](NC(=O)Nc1cc(F)cc(Cl)c1)[C@H]1CN(C)CCO1	161213275	YJODOYFCZRGAIE-NOZJJQNGSA-N	315.776	2.320	70	20	DEID	
CNS(=O)(=O)c1cccc([C@@H](C)NCc2ccc(C)nc2)c1	161298351	OZXDYNDCLBYNOI-CYBMUJFWSA-N	319.430	2.149	70	20	DEID	
Cc1cc(NS(=O)(=O)c2cc(F)ccc2Cl)nn1C	161511049	PKUPYNLOYOLLRI-UHFFFAOYSA-N	303.746	2.322	70	20	DEID	
CCCCn1ncc(NC(=O)NCCCO[C@@H]2CCOC2)c1C	160017774	FXQVDYCXZJGELW-CQSZACIVSA-N	324.425	2.309	70	20	DEID	
Cc1cc(F)ccc1NC(=O)N(CCS(C)(=O)=O)C(C)C	160123696	SHNAHUOMEZXKJR-UHFFFAOYSA-N	316.398	2.421	70	20	DEID	
COc1c(CNC(=O)NCCc2ccccc2C)c(C)nn1C	160340398	LVEUOSRZGNXUPT-UHFFFAOYSA-N	316.405	2.087	70	20	DEID	
CC(C)(CCS(C)(=O)=O)NC(=O)c1ccc(F)c(Cl)c1	160798152	NOKVXAFOGRUMMJ-UHFFFAOYSA-N	321.801	2.422	70	20	DEID	
O=C(Nc1cnn(CC(F)(F)F)c1)[C@H]1NCCc2ccccc21	159702678	LJNLNZBQWKRAKO-ZDUSSCGKSA-N	324.306	2.271	70	20	DEID	
CS[C@H](CO)[C@@H](C)NC(=O)Nc1ccnc(C)c1Cl	159740159	RGUNPJRJGFEFAQ-GMSGAONNSA-N	303.815	2.277	70	20	DEID	
CO[C@H](CNC(=O)CNC(=O)CC1CCCC1)c1ccccc1	159558816	OXGRTFTVSYCFBS-MRXNPFEDSA-N	318.417	2.187	70	20	DEID	
CCC(CC)C(=O)N1CCC(CNC(=O)C(F)(F)F)CC1	216734457	PCYUNUSWZHCSBK-UHFFFAOYSA-N	308.344	2.340	70	20	DEID	
CCSC1(CNC(=O)c2ccc(S(=O)(=O)F)cc2)CC1	893026171	YFGTXQKMNKRTEV-UHFFFAOYSA-N	317.407	2.360	70	20	DEID	
CC1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(S(=O)(=O)F)c[nH]1	1262788022	PTVVVXWZZGZSOZ-PBINXNQUSA-N	300.355	2.076	70	20	DEID	
O=C(Nc1scnc1C1CC1)c1cc(S(=O)(=O)F)c[nH]1	1521205906	KDASZPQAPWPJLP-UHFFFAOYSA-N	315.351	2.259	70	20	DEID	
CCC(CC)(C(=O)O)C(=O)Nc1cccc(S(=O)(=O)F)c1	1603526742	BJIXAQRKDWASFB-UHFFFAOYSA-N	317.338	2.174	70	20	DEID	
O=C([C@@H]1CCn2ccnc2C1)N1CC[C@@H](Nc2ccccc2)C1	161155466	ZQSFYTUFZUJBSJ-GDBMZVCRSA-N	310.401	2.159	70	20	DEID	
C[C@H](c1ccccc1F)N(C)C(=O)N[C@H]1CCc2ncnn2C1	161325557	JXRDFPKTRGMEPR-NEPJUHHUSA-N	317.368	2.135	70	20	DEID	
COc1c(C(=O)NC[C@H]2[C@H]3Cc4ccccc4[C@H]23)c(C)nn1C	161472969	ZPJRLCPODYRNSJ-YCPHGPKFSA-N	311.385	2.053	70	20	DEID	
CCC(=O)N1CCCC[C@@H]1C(=O)N(C)c1ccc2c(c1)OCO2	160102913	FMGYWCDKJGLNDX-CYBMUJFWSA-N	318.373	2.169	70	20	DEID	
CCCCn1ncc(NS(=O)(=O)C[C@@H]2CCCCO2)c1C	160136670	ZUJFTLBUSSMSGX-ZDUSSCGKSA-N	315.439	2.302	70	20	DEID	
Cc1ccc(F)c(OCC(=O)NC[C@@H](O)c2ccsc2)c1	160529842	PDUPBTQKYRVTOY-CYBMUJFWSA-N	309.362	2.424	70	20	DEID	
C[C@H]1CC(=O)CC[C@@H]1C(=O)NCc1cccc2c1OCCCO2	160590936	PWWXXMWLNXNFOS-WFASDCNBSA-N	317.385	2.469	70	20	DEID	
COc1ccc(C(=O)CCC(=O)N[C@H](CO)CC(C)C)cc1	160643510	PSHGZQJIWSRHIT-AWEZNQCLSA-N	307.390	2.181	70	20	DEID	
CCOC(=O)NCCCC(=O)N[C@H]1CCC[C@@H]1SCC	160652897	VTYDJKONKNCFQF-RYUDHWBXSA-N	302.440	2.303	70	20	DEID	
NC(=O)NC(=O)C1CCC(Nc2nc3cc(F)ccc3o2)CC1	160832957	OKRUYRNNRMIYDC-UHFFFAOYSA-N	320.324	2.133	70	20	DEID	
COc1cc(Cl)c(C(=O)NC[C@@H](O)C(C)C)cc1OC	159408750	YWWIDYRBZAVCJX-LLVKDONJSA-N	301.770	2.104	70	20	DEID	
COc1ccccc1CCNC(=O)CCC(=O)NC1CCCC1	159448294	QJIUWRAJIPKXKL-UHFFFAOYSA-N	318.417	2.193	70	20	DEID	
CO[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1cccc(CSC)c1	159863686	RHSMLFLMTYRGHP-ZIAGYGMSSA-N	322.430	2.172	70	20	DEID	
CCN1CCCN(C(=O)NCCCCCN2CCCCC2)CC1	159886793	ITMJXMZWJVZQLY-UHFFFAOYSA-N	324.513	2.380	70	20	DEID	
O=S(=O)(F)CCN1CCOc2ccc(C(F)(F)F)cc21	883954647	VEDNKNWPGSQJIG-UHFFFAOYSA-N	313.272	2.204	70	20	DEID	
O=C(CCc1ccc(S(=O)(=O)F)cc1)N[C@@]12CCC[C@@H]1C2	1262810327	GPUXXIURBRUQKS-IUODEOHRSA-N	311.378	2.336	70	20	DEID	
CC(C)N1CCC(NC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC1	161246911	KOCYAMVBBBUVPT-OAGGEKHMSA-N	321.465	2.116	70	20	DEID	
CCOC(=O)[C@@H](Cc1ccccc1)SCCN1CCOCC1	160028106	GUMNXLVQLLCMJS-MRXNPFEDSA-N	323.458	2.226	70	20	DEID	
Cc1ccc(S(N)(=O)=O)c(C(=O)N2CC[C@H](C)C[C@H](C)C2)c1	160048179	PYNGBUROBXBNEA-STQMWFEESA-N	324.446	2.151	70	20	DEID	
CCOc1ccc(CNC(=O)N[C@@H]2CCC[C@H]2OC)cc1OC	160090055	FDZXSAGOMLFXJG-ZIAGYGMSSA-N	322.405	2.461	70	20	DEID	
CCC[C@@H]1CN(C(=O)NC2CCN(CC(C)C)CC2)CCO1	160094166	SXQJLHKLRDJZLF-MRXNPFEDSA-N	311.470	2.317	70	20	DEID	
CC(=O)c1cccc(OCC(=O)NCCc2cccc(O)c2)c1	160161499	XAPNMICRMDQQCI-UHFFFAOYSA-N	313.353	2.333	70	20	DEID	
COCCn1ccc(NC(=O)C(C)(C)c2ccc(OC)cc2)n1	160254846	DKKGTXZWISDKOQ-UHFFFAOYSA-N	317.389	2.454	70	20	DEID	
CCn1cc(C(=O)Nc2ccc(C(=O)NC)cc2Cl)cn1	160327648	POENTASSILPRRQ-UHFFFAOYSA-N	306.753	2.168	70	20	DEID	
CC[C@@](C)(NC(=O)N[C@@H](C)Cn1ccnc1)c1nccs1	160795621	QVFWORCQWSYNHV-SMDDNHRTSA-N	307.423	2.353	70	20	DEID	
CC(=O)N1CCC[C@H](C(=O)N[C@H]2CCOC3(CCCCC3)C2)C1	160889243	KKTPJUCYKZEQFI-HOTGVXAUSA-N	322.449	2.243	70	20	DEID	
COC(=O)c1c(F)cccc1S(=O)(=O)Nc1cc(C)ccn1	160901027	CUHQKGWUSOLPDM-UHFFFAOYSA-N	324.333	2.117	70	20	DEID	
CCC1(CC)[C@@H](NC(=O)NCc2ccnc(OC)c2)C[C@H]1OC	159417190	UYEDXEGLKMHYHE-UONOGXRCSA-N	321.421	2.483	70	20	DEID	
CN(Cc1ccncc1)C(=O)CCNC(=O)C1CCCCC1	159428687	NUCKDOLPSRCPAG-UHFFFAOYSA-N	303.406	2.127	70	20	DEID	
COC(=O)c1cccc(CC(=O)N(C)CCC(F)(F)F)c1	159437178	SXGFQQNGSZQDQQ-UHFFFAOYSA-N	303.280	2.427	70	20	DEID	
CCOCCC1(CNC(=O)c2cc(-n3cccn3)ccn2)CC1	159438490	BFCLAWWKKSHPAJ-UHFFFAOYSA-N	314.389	2.204	70	20	DEID	
CC(C)(CNC(=O)CNC[C@H]1CCCO1)Cc1ccccc1	159487117	GTMJJUCTLTWZHU-MRXNPFEDSA-N	304.434	2.140	70	20	DEID	
CC(C)CN(CC(N)=O)C(=O)Cc1ccc(C(F)(F)F)cc1	159758748	KUXICQLMQVUETA-UHFFFAOYSA-N	316.323	2.218	70	20	DEID	
Cc1ccc([C@@H](O)CNS(=O)(=O)c2ccc(C)c(F)c2)cc1	159387364	ISRSTAJXEIVDNS-INIZCTEOSA-N	323.389	2.454	70	20	DEID	
CC(C)CO[C@@H]1CCN(C(=O)c2ncn(-c3ccccc3)n2)C1	159973860	TUCLEQQSKNTVQV-OAHLLOKOSA-N	314.389	2.154	70	20	DEID	
CCC[C@H]1CN(C(=O)NCc2ccc(OC)cc2OC)CCO1	159974418	KBOPEJNYZIGMOR-HNNXBMFYSA-N	322.405	2.414	70	20	DEID	
CS[C@H]1CC[C@H](NC(=O)c2ccc(S(=O)(=O)F)cc2)C1	889252606	ZRFFANDZPWBGIW-QWRGUYRKSA-N	317.407	2.359	70	20	DEID	
COCCN(CCNCc1cncs1)C(=O)OC(C)(C)C	218136285	JKAZKYSDUNBJKB-UHFFFAOYSA-N	315.439	2.116	70	20	DEID	
C[C@H](C(=O)Nc1ccc(C(N)=O)nc1)c1c(F)cccc1F	161073815	FMXKYTFQJXYQQF-QMMMGPOBSA-N	305.284	2.201	70	20	DEID	
CC(C)CN(CCN(C)C)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	161158494	CXAVLHXFAMVUGF-XHSDSOJGSA-N	323.481	2.173	70	20	DEID	
CN(C)[C@@H](CNC(=O)N[C@@H](CCO)C(C)(C)C)c1ccccc1	161183018	UDWMSDVLHLQTHB-HOTGVXAUSA-N	321.465	2.386	70	20	DEID	
Cc1ccc([C@@H](CNC(=O)N2CCC[C@@](C)(O)C2)N(C)C)cc1	161209422	UFZQLECTXLYODU-SJLPKXTDSA-N	319.449	2.154	70	20	DEID	
CC[C@H](CNC(=O)[C@H](C)N)Cc1cccc(Br)c1	161223516	WNJXOOUEAIIRRS-QWRGUYRKSA-N	313.239	2.481	70	20	DEID	
CCc1nc2c(s1)[C@H](N(C)C(=O)C[C@H]1COC(=O)C1)CCC2	161240153	DLUOISUNZSJHQB-ZYHUDNBSSA-N	322.430	2.495	70	20	DEID	
CCCNC(=O)CCNC(=O)CCc1c[nH]c2c(C)cccc12	161372415	FIAFBCZLUQQIDZ-UHFFFAOYSA-N	315.417	2.441	70	20	DEID	
Cc1ccc(OCCCC(=O)NCC(=O)N2CCCC2)c(C)c1	161438592	FEIUTFNPLFAWJS-UHFFFAOYSA-N	318.417	2.201	70	20	DEID	
O=C(NCC1(C2CC2)CC1)[C@@H]1CC(=O)N(Cc2ccccc2)C1	160224093	BJAWUIQZDFSDHU-OAHLLOKOSA-N	312.413	2.342	70	20	DEID	
CC[C@H](C)OCC(=O)NC1(C(=O)N(CC)CC)CCCCC1	160409159	SBXAWCSPFOFSMH-AWEZNQCLSA-N	312.454	2.489	70	20	DEID	
CC[C@H](O)CCNC(=O)c1ccc(-n2cnc3ccccc32)nc1	160418528	PQGGWPDQGNIIQV-AWEZNQCLSA-N	324.384	2.311	70	20	DEID	
COC(=O)c1[nH]c(C)c(C(=O)NC[C@@H](CC(C)C)N(C)C)c1C	160453241	SDOCUGAJTWBLQI-CYBMUJFWSA-N	323.437	2.124	70	20	DEID	
COc1cc(CCC(=O)N[C@H](CCO)C(C)C)cc(OC)c1	160602348	HISDEEORFYGODZ-MRXNPFEDSA-N	309.406	2.160	70	20	DEID	
CN(CCc1ccncc1)C(=O)N[C@H]1CCN(C2CCCC2)C1	160898561	UCNVUPOARLKHDQ-INIZCTEOSA-N	316.449	2.282	70	20	DEID	
C[C@H]1C[C@@H](C)CN(CCCNC(=O)[C@H](O)c2ccccc2)C1	159667288	GDNDWSDXFIWWLD-HLLBOEOZSA-N	304.434	2.204	70	20	DEID	
C[C@@]1(O)CCCN(C(=O)NCCc2c[nH]c3ccccc23)C1	159678088	NFKHOILPLXDNNK-QGZVFWFLSA-N	301.390	2.267	70	20	DEID	
CC(C)CS(=O)(=O)CC(=O)N[C@@H]1CCCc2sccc21	159899307	OHFBXJZJCJOLJN-GFCCVEGCSA-N	315.460	2.313	70	20	DEID	
COC(=O)[C@H]1C[C@H]1C(=O)N[C@H](c1cccc(C)c1)c1ccccn1	159918859	PIHPDFTXCBVEAS-HLLBOEOZSA-N	324.380	2.405	70	20	DEID	
C[C@]1(O)CCCN(C(=O)Nc2ccn(Cc3ccccc3)n2)C1	159525744	ZHPMRLPUYUQULA-KRWDZBQOSA-N	314.389	2.310	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)c1c(-c2ccncc2)noc1C	159556153	SVDJKOUJMKIOKZ-JTQLQIEISA-N	317.345	2.117	70	20	DEID	
CCOCCC1(CNC(=O)NCCC2CCN(C)CC2)CC1	159770552	DCOFMPNCWDOIOR-UHFFFAOYSA-N	311.470	2.224	70	20	DEID	
O=C(Nc1cccc(S(=O)(=O)F)c1)c1cccc2c1OCO2	460088775	DGNKQFZKJWIUKD-UHFFFAOYSA-N	323.301	2.326	70	20	DEID	
CCC[C@H](OC)C(=O)Nc1ccc(C)c(S(=O)(=O)F)c1	857674334	WFVZLUWEYUBNEN-NSHDSACASA-N	303.355	2.407	70	20	DEID	
CC(C)(C)[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1123741709	BUJJBFIZCWIAMK-SECBINFHSA-N	302.371	2.181	70	20	DEID	
COc1cccc(Cn2ccc(C(=O)OC(C)C)cc2=O)c1	161000189	IAZXZZXXRIECAK-UHFFFAOYSA-N	301.342	2.470	70	20	DEID	
CCc1ncc(NC(=O)Nc2c(C)nn(CCOC)c2C)cn1	161142828	AEEDOGFGRBDWBD-UHFFFAOYSA-N	318.381	2.143	70	20	DEID	
CC(=O)NC1CCC(NCCCN2CCc3ccccc32)CC1	161252677	PZTFSQWLWOLQQE-UHFFFAOYSA-N	315.461	2.476	70	20	DEID	
C[C@@H]1Sc2ccccc2N(CCCN2C(=O)CNC2=O)[C@H]1C	161260372	HJSOKROTJDVKDU-RYUDHWBXSA-N	319.430	2.318	70	20	DEID	
COc1ccc(N(C)C(=O)c2cn(-c3cccc(C)c3)nn2)cn1	161280094	CVZLSWZJHCWBER-UHFFFAOYSA-N	323.356	2.256	70	20	DEID	
COc1ccccc1C(=O)N1CCN(c2cc(C)ccn2)CC1	161325526	NVXJOBKHFKOBRO-UHFFFAOYSA-N	311.385	2.361	70	20	DEID	
CC[C@@](C)(O)CN1CCC(CCN2C[C@H](C)O[C@H](C)C2)CC1	161449950	AOUHDEPWAWATNL-SOLBZPMBSA-N	312.498	2.359	70	20	DEID	
CC(C)OC(=O)CCCNc1nc(C(C)C)nc(N(C)C)n1	160261586	GFHQNSBIKMGYGS-UHFFFAOYSA-N	309.414	2.205	70	20	DEID	
C[C@H](CC(=O)N1CCNC(=O)[C@H]1c1ccccc1)c1ccncc1	160297242	UCHANORZYBRFMG-RDTXWAMCSA-N	323.396	2.275	70	20	DEID	
CSc1cc(C(=O)N[C@@H]2CCc3nc(C)nn3C2)ccc1F	160538071	SQVMHLZTSBRUOU-LLVKDONJSA-N	320.393	2.192	70	20	DEID	
CCCC(=O)N1CCC[C@H]1C(=O)NCC1(CCOCC)CCC1	160538743	VYKWUAHIGSFGSV-HNNXBMFYSA-N	324.465	2.491	70	20	DEID	
CCN(CC)S(=O)(=O)N1CC[C@@H](c2ccccc2OC)C1	160553397	CQRDHFXOLYVNGP-CYBMUJFWSA-N	312.435	2.071	70	20	DEID	
CCCO[C@@H]1CCCN(C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1	160730848	IXRWHUNSYWORGQ-IAGOWNOFSA-N	323.481	2.461	70	20	DEID	
COc1ccc(F)cc1[C@H](C)NC(=O)NCc1cnn(C)c1C	159901374	XPEGCHQTUFQTII-JTQLQIEISA-N	320.368	2.437	70	20	DEID	
COC(=O)[C@H](C)CN(C)C(=O)c1cnn(CCC(C)C)c1C	159956252	CMBGTDVOOZCVTE-GFCCVEGCSA-N	309.410	2.119	70	20	DEID	
C[C@@H](CNC(=O)[C@@H]1OCCc2ccccc21)CC1(C)OCCO1	160661699	PGNUJERKGPKQLE-CZUORRHYSA-N	319.401	2.206	70	20	DEID	
CCCCO[C@H](C)C(=O)Nc1cccc(S(=O)(=O)F)c1	460089925	GENMJBIHDGNKIL-SNVBAGLBSA-N	303.355	2.489	70	20	DEID	
CC1(C(=O)Nc2ccc(S(=O)(=O)F)cc2)CCOCC1	460095898	SZKDFVCETFYIBH-UHFFFAOYSA-N	301.339	2.100	70	20	DEID	
CSC(C)(C)CNC(=O)Cc1ccc(S(=O)(=O)F)cc1	1121067104	KCOUJNNBIAGFMX-UHFFFAOYSA-N	319.423	2.145	70	20	DEID	
O=C(c1cccc(S(=O)(=O)F)c1)N1C[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1	1121185668	USFTTZYLFLTIQN-GVARAGBVSA-N	323.389	2.463	70	20	DEID	
CS[C@H]1CCC[C@H](NC(=O)[C@@H]2Cc3ccccc3CN2)C1	161122621	DMKHZGKFGUTJFQ-JYJNAYRXSA-N	304.459	2.491	70	20	DEID	
COC(=O)NCCCC(=O)N[C@H](C)CC(=O)c1ccc(F)cc1	161190760	IUZUQYKGFSGWRY-LLVKDONJSA-N	324.352	2.039	70	20	DEID	
COC(=O)CCN(C[C@@H]1CCCO1)c1cc(C)nc(C(C)C)n1	161238685	HJRQUDPEMJANFA-AWEZNQCLSA-N	321.421	2.457	70	20	DEID	
CNC(=O)[C@@H]1CCCCN1C(=O)c1ccc(F)c(SC)c1	160123282	JPJYRJOMEBCSTG-LBPRGKRZSA-N	310.394	2.288	70	20	DEID	
CC[C@@H](C)N(C)CCN[C@@H](C)c1ccc(-n2cnnn2)cc1	160140423	FZGZVQNREJDKKN-KGLIPLIRSA-N	302.426	2.043	70	20	DEID	
COc1ccc2c(c1)[C@@H](NCCN1CCC(N(C)C)CC1)CC2	160188079	ITMRRDCEEUUQBL-IBGZPJMESA-N	317.477	2.298	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)c1cc(-c2cccs2)n[nH]1	160438009	ZTCCQANCNXSBTI-SECBINFHSA-N	307.375	2.210	70	20	DEID	
CC[C@H](C(=O)NCC1CCN(CCO)CC1)c1ccccc1	160651476	GJZZUHVYOGSKHE-KRWDZBQOSA-N	304.434	2.001	70	20	DEID	
COC(=O)c1csc(NC(=O)N[C@@H]2CCN(CC3CC3)C2)c1	160654599	PBXDYEWMOXBZBZ-GFCCVEGCSA-N	323.418	2.141	70	20	DEID	
O=C(NCc1ccccc1OCC1CC1)NC[C@@H]1CCCO1	160817212	QWZOTZOLDHAYKM-HNNXBMFYSA-N	304.390	2.454	70	20	DEID	
COCC[C@H](C)NC(=O)NCCCc1cc(OC)ccc1OC	160864831	HPKPHTNAALEFKQ-ZDUSSCGKSA-N	324.421	2.361	70	20	DEID	
CC[C@H](NC(=O)Nc1cnc2c(c1)c(C)nn2C)[C@H]1CCCO1	160911192	WMUYZCSIEHNGSQ-UONOGXRCSA-N	317.393	2.356	70	20	DEID	
CCN1CCN(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)CC1	160926645	LHWWWKOPXCFVQD-IAGOWNOFSA-N	317.433	2.254	70	20	DEID	
COc1ccc(-c2nnc(SCc3nnc(C)n3C)[nH]2)cc1	160987307	QTNPEMNOLGUIKI-UHFFFAOYSA-N	316.390	2.210	70	20	DEID	
C[C@H]1CC(C)(C)CC[C@H]1NC(=O)NCC1(CO)CCOCC1	159420771	TXZICQTWCBGWGK-UONOGXRCSA-N	312.454	2.290	70	20	DEID	
CCN1CCCN(C(=O)NC[C@@H](C)N(C)c2ccccc2)CC1	159623761	IKZIZQJKWDTWHS-MRXNPFEDSA-N	318.465	2.249	70	20	DEID	
CC[C@H](C)OCC(=O)NCc1ccc(-n2ccnc2C)nc1	159864846	VJDHTPBCXAHZBK-LBPRGKRZSA-N	302.378	2.007	70	20	DEID	
CCCC[C@@H](COC)NC(=O)Nc1ccnn1C[C@H]1CCOC1	159884536	VWPICKRMJMAZJP-KGLIPLIRSA-N	324.425	2.246	70	20	DEID	
NC1(CNC(=O)c2cc(F)cc3nccnc23)CCCCC1	159550165	ZMSMRJJYHBKIOZ-UHFFFAOYSA-N	302.353	2.160	70	20	DEID	
CC(=O)N1CC[C@H](NC(=O)c2cccc(OCC=C(C)C)c2)C1	159556587	SLVXJHXUMWZFKH-INIZCTEOSA-N	316.401	2.382	70	20	DEID	
Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)c(-c2cccs2)n1	159980199	XNOGEWJEBSRXDM-JLLWLGSASA-N	303.387	2.198	70	20	DEID	
CCC[C@@H](CC)NC(=O)N1CCN(Cc2ccccn2)CC1	159796037	PXYJPPNTUIGYDN-OAHLLOKOSA-N	304.438	2.488	70	20	DEID	
O=C(Cc1ccccc1Br)NC[C@H]1CCCNC1	217268400	FVWSSZJIPZYZMB-NSHDSACASA-N	311.223	2.107	70	20	DEID	
C[C@H]1Cc2ccccc2N1C(=O)c1cc(S(=O)(=O)F)c[nH]1	1120785087	LZODKLNQVVHWBX-VIFPVBQESA-N	308.334	2.264	70	20	DEID	
CCN(CCOC)C(=O)c1cc(S(=O)(=O)F)ccc1Cl	1121099788	BFXLMNRSJQWWFN-UHFFFAOYSA-N	323.773	2.107	70	20	DEID	
COC(=O)C(C)(C)c1ccc(NC(=O)[C@H](N)CC(C)C)cc1	161039580	TYQNQUBCYKDWOW-CQSZACIVSA-N	306.406	2.449	70	20	DEID	
CCN(Cc1ccccn1)[C@@H](C)C(=O)Nc1c(C)nn(C)c1C	161127532	NCMFKEMNEMXGAS-AWEZNQCLSA-N	315.421	2.281	70	20	DEID	
O=C(NCCc1c[nH]c2ccccc12)NO[C@H]1CCCCO1	161147185	VFRFLODYRBBDOQ-HNNXBMFYSA-N	303.362	2.468	70	20	DEID	
C[C@H](c1ccsc1)N1CCN(C(=O)Nc2cnn(C)c2)CC1	161359729	HDACBJFPOHEOTI-GFCCVEGCSA-N	319.434	2.392	70	20	DEID	
CC(=O)c1csc(C(=O)N[C@H]2CCN(c3ccccn3)C2)c1	161392760	SRKKEFRQJMQOQJ-ZDUSSCGKSA-N	315.398	2.354	70	20	DEID	
CCCN(CCC)C(=O)CN1CCC([C@@H](O)C(F)(F)F)CC1	161494204	XVLRXOXUDFEDFG-CQSZACIVSA-N	324.387	2.270	70	20	DEID	
COCCOc1ccc(NC(=O)NCC2(C3CC3)CC2)cn1	160317734	UPKUMFJJJPPXHO-UHFFFAOYSA-N	305.378	2.419	70	20	DEID	
COC(=O)[C@@H]1Cc2ccccc2CN1CCCN1CCCCC1	160472812	CWDNHYDRDMPJQC-SFHVURJKSA-N	316.445	2.462	70	20	DEID	
CCOC(=O)NCCCC(=O)N(Cc1ccncc1)C1CC1	160523392	NHWXGAVHURCICL-UHFFFAOYSA-N	305.378	2.099	70	20	DEID	
C[C@@H](O)[C@@H]1CCN(C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)C1	160878610	WJTLJOOUCWAIAV-DZUCGIPZSA-N	318.417	2.319	70	20	DEID	
COCCCNC(=O)NC[C@@H](c1ccccc1)C(C)(C)CO	160966762	GOVWQRKZEIECRR-HNNXBMFYSA-N	308.422	2.124	70	20	DEID	
c1ncn(-c2ccc(CN[C@@H]3[C@H]4CCO[C@@H]4C34CCC4)cc2)n1	159642085	OYXJAZYSTSBYJP-ZACQAIPSSA-N	310.401	2.315	70	20	DEID	
Cc1cccn2cc(CNC(=O)c3cccc4[nH]cnc34)nc12	159456126	WEFJODRKBZPZPW-UHFFFAOYSA-N	305.341	2.449	70	20	DEID	
CN(C)[C@@H](CNC(=O)N[C@@H]1CCO[C@H](C2CC2)C1)c1ccco1	159482988	FEZVMVIJXMXJPV-YCPHGPKFSA-N	321.421	2.139	70	20	DEID	
Cc1ccc(NC(=O)C(=O)NC[C@H]2CSCCS2)cc1C	159705338	VBTSMGBZPSLFNI-ZDUSSCGKSA-N	324.471	2.207	70	20	DEID	
CC(C)[C@H](O)CNC(=O)[C@@H]1CCCN(Cc2ccccc2)C1	159705702	FBDFNXAFXKSMMO-IAGOWNOFSA-N	304.434	2.032	70	20	DEID	
O=C(NC[C@H]1CC=CCC1)N1CCN(Cc2ccccn2)CC1	159708224	PIOQOWBSZGYDBA-INIZCTEOSA-N	314.433	2.265	70	20	DEID	
C[C@@H](CO)CNC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1	160478328	PMNKMTVLKZRKHO-GFCCVEGCSA-N	322.405	2.070	70	20	DEID	
CC(C)OC(=O)c1ccn(Cc2cn3ccccc3n2)c(=O)c1	161027148	UITZYDPXSSKOHK-UHFFFAOYSA-N	311.341	2.110	70	20	DEID	
CCNC(=O)c1ccc(CNC(=O)Nc2ccc(C)nc2)cc1	161505392	YKPGHDJTTZVCJZ-UHFFFAOYSA-N	312.373	2.461	70	20	DEID	
CCCCOc1ccc(/C=C/C(=O)NCCCN)cc1OC	160101654	MNOXLODQTNECHR-VQHVLOKHSA-N	306.406	2.352	70	20	DEID	
CN(CC(C)(C)CN1CCOCC1)C(=O)Cc1ccsc1	160206829	DFAUWWXLUNJEKX-UHFFFAOYSA-N	310.463	2.107	70	20	DEID	
O=C(NCC(=O)N1CC[C@@H]2CCCC[C@@H]21)c1cccc(F)c1	160322532	NQFVVHLFEQDLDC-WFASDCNBSA-N	304.365	2.347	70	20	DEID	
COCCN(C)CCCNC(=O)c1cc(F)cc2cccnc12	160342061	OJMKQYPTMIDYSC-UHFFFAOYSA-N	319.380	2.072	70	20	DEID	
COc1cc(NC(=O)[C@]2(C(F)(F)F)CCNC2)ccc1F	160343497	HUTAUHOVKDQFLC-LBPRGKRZSA-N	306.259	2.315	70	20	DEID	
CCn1nc(C)c([C@H](C)N[C@@H]2CCc3nc(C)nn3C2)c1C	160515655	NQMNYGRJPWSYCX-IINYFYTJSA-N	302.426	2.085	70	20	DEID	
Cn1cnnc1CN(Cc1cccc(F)c1)C[C@H]1CCCO1	160878683	IURHAUCVQSRLEW-OAHLLOKOSA-N	304.369	2.135	70	20	DEID	
CC[C@@H]1CCC[C@H]1NC(=O)CCNC(=O)OCC(F)(F)F	159634865	GHEOYUQGIKNAGS-NXEZZACHSA-N	310.316	2.360	70	20	DEID	
COc1ccc(Br)c(CC(=O)Nc2cc[nH]n2)c1	159961269	QGAOYULZVCJWGB-UHFFFAOYSA-N	310.151	2.362	70	20	DEID	
COc1cc(C)cc(CNC(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)c1	159998234	FFYRFSPSARQTKT-HIFRSBDPSA-N	317.433	2.428	70	20	DEID	
N#CC1(NC(=O)c2cc(S(=O)(=O)F)ccc2Cl)CCC1	1338025158	UPTYERCESFBRJF-UHFFFAOYSA-N	316.741	2.174	70	20	DEID	
CSCCCN(C)C(=O)c1ccc(S(=O)(=O)F)cc1C	1337437914	RFVXJUCVKVOMGO-UHFFFAOYSA-N	319.423	2.478	70	20	DEID	
O=C([C@@H]1CCCO1)N1CCN(C/C=C/c2ccc(F)cc2)CC1	161013192	PWDBFABYSVLTRN-DUXHTMCSSA-N	318.392	2.162	70	20	DEID	
COC[C@H](NC(=O)Nc1ccc(Br)nc1)C1CC1	161122566	KVZPMNWULVYENP-JTQLQIEISA-N	314.183	2.391	70	20	DEID	
CN(C[C@H]1CCC[C@@H]1O)C(=O)NCCc1ccc(F)cc1F	161192445	VXZXZSMITJECPO-DOMZBBRYSA-N	312.360	2.310	70	20	DEID	
NC(=O)Nc1cccc(C(=O)N[C@H]2CCOC3(CCCC3)C2)c1	161287700	YDTRRBIGCPUVOQ-AWEZNQCLSA-N	317.389	2.399	70	20	DEID	
C[C@@H](CC(=O)Nc1cc(C2CCOCC2)[nH]n1)[C@@H]1CCCNC1	161331403	VUNTXZNRMULNQZ-GXTWGEPZSA-N	320.437	2.268	70	20	DEID	
C[C@H]1CCCN1C(=O)CCN1CCC([C@@H](O)C(F)(F)F)CC1	161499567	HEJDMOLAJDWOAT-SMDDNHRTSA-N	322.371	2.023	70	20	DEID	
O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CCCCO1	161471617	DXJYKAWZTSLSLK-SJORKVTESA-N	302.418	2.336	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)CCCOc1cccc(F)c1	160047691	NDVPBPNLEAGCQK-LBPRGKRZSA-N	311.353	2.443	70	20	DEID	
CCOCCO[C@@H](C)C(=O)N[C@H]1CCc2c(OC)cccc21	160173096	VCHYSTKSSYFVMF-WFASDCNBSA-N	307.390	2.240	70	20	DEID	
Cc1ccc(C(=O)NC[C@@H](O)CN2CCCCC2)cc1Cl	160240353	LRRWCVCDMHLVHB-CQSZACIVSA-N	310.825	2.225	70	20	DEID	
Cc1cc(CNC(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)on1	160273570	QPXQINSEKSCLBI-CQSZACIVSA-N	317.345	2.472	70	20	DEID	
CCCN(CCO)C(=O)Nc1ccc(O[C@H]2CCOC2)cc1	160417768	OMVCBRDAABYBNN-HNNXBMFYSA-N	308.378	2.091	70	20	DEID	
CC(C)CC(=O)Nc1ccc(C(=O)N(C)[C@H](C)CO)cc1F	160420536	JIMHRZWNXIMWOB-LLVKDONJSA-N	310.369	2.263	70	20	DEID	
CCC(N)(CC)CNC(=O)COc1ccc(F)c(Cl)c1	160473401	UGEAOQSREIFRJN-UHFFFAOYSA-N	302.777	2.492	70	20	DEID	
COC[C@H](C)NC(=O)Nc1ccc2c(c1)CCCN2C(C)=O	160836869	AWBOSTUIAZWXJF-NSHDSACASA-N	305.378	2.142	70	20	DEID	
CC(C)Cn1ccnc1CNC(=O)c1ccc2c(c1)N(C)CC2	159405328	WJAUCZCBHKRKLL-UHFFFAOYSA-N	312.417	2.461	70	20	DEID	
C[C@@H](CC(=O)N1CCC[C@@H](CCC(N)=O)C1)c1ccncc1	159860879	XPRIJQMIRJSVNH-KBPBESRZSA-N	303.406	2.079	70	20	DEID	
CCN(Cc1nc2ccccc2c(=O)[nH]1)Cc1cncs1	159883175	GRRRCZWXDZMDDO-UHFFFAOYSA-N	300.387	2.402	70	20	DEID	
CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)N(C)Cc2cc(C)on2)C1	159973231	ZJYHCIKQVAIEQA-TZMCWYRMSA-N	321.421	2.226	70	20	DEID	
C[C@@H](CNC(=O)[C@H]1OCCc2ccccc21)CC1(C)OCCO1	160661484	PGNUJERKGPKQLE-CJNGLKHVSA-N	319.401	2.206	70	20	DEID	
CCCc1ccc(S(=O)(=O)NCCSCCCO)cc1	161317015	JULKOKKUTLBQCH-UHFFFAOYSA-N	317.476	2.033	70	20	DEID	
Cc1ccc(C2(C(=O)N[C@@H]3CCC[C@H]3O)CCOCC2)cc1	161195854	PBQFRVDJOORJQD-HZPDHXFCSA-N	303.402	2.073	70	20	DEID	
CS[C@@H](C)CC(=O)NC1CCN(C(=O)CC(C)C)CC1	161291398	ZTQAVFFQUMEBQI-LBPRGKRZSA-N	300.468	2.281	70	20	DEID	
CCC[C@H](CC1CCCC1)C(=O)NC[C@H]1CC[C@H](C(N)=O)O1	161448027	BFZPYHZFLZMNNI-RBSFLKMASA-N	310.438	2.132	70	20	DEID	
CC(C)C[C@@H](C)NC(=O)Nc1ccc(N2CCOCC2)nc1	160069504	ANEOPPFEWOWAGR-CYBMUJFWSA-N	306.410	2.474	70	20	DEID	
COc1cc(C(=O)NCC2(C3CC3)CC2)cc2c1OCCO2	160135427	WVNRRVQCFNVSHH-UHFFFAOYSA-N	303.358	2.386	70	20	DEID	
CC[C@@H](COC)NS(=O)(=O)c1cc(OC)ccc1Cl	160296601	JOPYKAHGKCPCQX-VIFPVBQESA-N	307.799	2.052	70	20	DEID	
CC(C)C(=O)N[C@@H]1CCCN(C(=O)C[C@@H](C)c2ccncc2)C1	160322978	HRQRETHISBUDLC-GDBMZVCRSA-N	317.433	2.338	70	20	DEID	
COc1cccc(-c2nc(C(=O)Nc3ccn(C)n3)c(C)[nH]2)c1	160765188	VWYZOPDWEMMDGV-UHFFFAOYSA-N	311.345	2.380	70	20	DEID	
O=S(=O)(CCCCCO)Cc1noc(C2CCCCC2)n1	159413099	LLKAOUHTNQAGMB-UHFFFAOYSA-N	316.423	2.195	70	20	DEID	
CC(C)CCn1ccc(N[C@H](C)C(=O)NCC(F)(F)F)n1	159899010	IXIXMGWZVHMQAP-SNVBAGLBSA-N	306.332	2.408	70	20	DEID	
Cc1nc(NC(=O)c2ccc(NC(=O)N(C)C)cc2Cl)n[nH]1	159520069	AKGJDWYUPRCZSY-UHFFFAOYSA-N	322.756	2.112	70	20	DEID	
O=C1C[C@@H](C(=O)NC(c2ccccc2)c2ccccc2)CCN1	159958584	NREAKFHINKAKQQ-INIZCTEOSA-N	308.381	2.418	70	20	DEID	
C[C@H](OC[C@H]1CCCO1)C(=O)N(C)CCOCc1ccccc1	159370368	RHVNGOKELDGTNS-DOTOQJQBSA-N	321.417	2.246	70	20	DEID	
CCCN(Cc1csc(C2CC2)n1)[C@H]1CCS(=O)(=O)C1	161388294	LJMCSEOEFIOSGE-ZDUSSCGKSA-N	314.476	2.420	70	20	DEID	
O=C(/C=C/c1cscn1)Nc1ccc(S(=O)(=O)F)cc1	460087462	AOBQXBKEPMZWOT-ZZXKWVIFSA-N	312.347	2.453	70	20	DEID	
CCc1ccccc1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1123523338	BEIFEJKFDXNOCC-UHFFFAOYSA-N	310.350	2.165	70	20	DEID	
COC[C@@H](O)CCNC(=O)CCSc1ccc(C)c(C)c1	161032535	YBJLGCJXRDEXSU-AWEZNQCLSA-N	311.447	2.299	70	20	DEID	
COC(=O)[C@H]1CCCN(C(=O)Nc2ccn(CCC(C)C)n2)C1	161159415	LFOJMOPSPAJISL-ZDUSSCGKSA-N	322.409	2.346	70	20	DEID	
CNC[C@@H]1CCCN1C(=O)c1cccc(NC(=O)NC(C)C)c1	161253644	WQDVTBNZKDLBIB-HNNXBMFYSA-N	318.421	2.041	70	20	DEID	
CC(C)(CO)[C@H](CNC(=O)Nc1cccnn1)c1ccccc1	160128949	GSUNVPNGXTZJHS-CQSZACIVSA-N	314.389	2.400	70	20	DEID	
Cc1ccc(Cl)c(NC(=O)C(=O)NCCn2cccc2)c1	160192863	YFUVAQHFGWVOER-UHFFFAOYSA-N	305.765	2.205	70	20	DEID	
CC(=O)N(C)C1CCN(C(=O)C2CCC(F)(F)CC2)CC1	160431221	IFOBXFUJTWWDNY-UHFFFAOYSA-N	302.365	2.281	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)[C@@H](c1ccccc1)N(C)CC	160498597	IHGRXUOFLCDCGQ-XJKSGUPXSA-N	306.406	2.137	70	20	DEID	
O=C(c1cc(F)ccc1O)N1CCC(N2CCCCC2=O)CC1	160498896	BDHRNOQMDKTCFP-UHFFFAOYSA-N	320.364	2.148	70	20	DEID	
COC[C@H](NC(=O)Nc1ccc2c(c1)NC(=O)CC2)C1CC1	160536121	BFXFDWSSBZXVSN-AWEZNQCLSA-N	303.362	2.118	70	20	DEID	
O=C(NCC1(C2CC2)CC1)N[C@@H]1CCN(C2CCCCC2)C1=O	160656145	TYFBANFMTXSTRR-OAHLLOKOSA-N	319.449	2.409	70	20	DEID	
CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)C=C2CCC2)nc1	160961214	DBIVCGGKEJYWSB-UHFFFAOYSA-N	323.418	2.207	70	20	DEID	
CC(C)=CCC[C@@H](C)NCc1ccc(C(=O)NCC(N)=O)cc1	160974375	DLTYPOQCBVLRFL-CQSZACIVSA-N	317.433	2.126	70	20	DEID	
O=C(NC[C@H](c1ccco1)N1CCCCC1)[C@H]1CCCCO1	159871877	DDSIPEBOLCHYHX-GDBMZVCRSA-N	306.406	2.492	70	20	DEID	
CCc1ccc([C@@H](CO)NC(=O)N[C@@H]2CCCSC2)cc1	159480993	YTRLPQGQJCFSPP-HUUCEWRRSA-N	308.447	2.477	70	20	DEID	
CC(C)(C)c1nsc(NCc2cccc(OCC(N)=O)c2)n1	159695963	QQMDXLHXJIFWEL-UHFFFAOYSA-N	320.418	2.312	70	20	DEID	
O=C(Nc1cccc(S(=O)(=O)F)c1)C1SCCCS1	460096293	UAYFYIMAEWBILH-UHFFFAOYSA-N	321.420	2.480	70	20	DEID	
O=C(Nc1ccn2ccnc2c1)c1ccc(S(=O)(=O)F)cc1	864241646	DVRMYAKCFPIQRL-UHFFFAOYSA-N	319.317	2.245	70	20	DEID	
C[C@@H]1CCC[C@@H](N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1337667620	VVPCDPGXTWOHMC-NXEZZACHSA-N	302.371	2.324	70	20	DEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@H](C2CCCC2)C1	1262787836	KFLBLUFDBNYIQK-NSHDSACASA-N	314.382	2.325	70	20	DEID	
CC[C@H](NC(=O)c1cccc(S(=O)(=O)F)c1)[C@@H]1CCCO1	1348708036	VDOPAIJVHWTRQQ-STQMWFEESA-N	315.366	2.032	70	20	DEID	
Cn1cnc2cc(C(=O)NC3(C)Cc4ccccc4C3)cnc21	161068893	ROHAIWXZTAXYSO-UHFFFAOYSA-N	306.369	2.256	70	20	DEID	
CN(CCCc1cc(-c2ccccc2)n[nH]1)CC(=O)N(C)C	161237177	ZOCOMZOXPSFBLN-UHFFFAOYSA-N	300.406	2.029	70	20	DEID	
CC(=O)NC1CCC(N[C@H]2CCC[C@@H](C(=O)NC(C)C)C2)CC1	161504301	OUFREYGDJBFMDI-VXLLPVPCSA-N	323.481	2.107	70	20	DEID	
CCOC(=O)CCc1ccc(NC(=O)[C@H]2CCCCN2)cc1	160490324	MEEXAMFSBUOORW-OAHLLOKOSA-N	304.390	2.263	70	20	DEID	
O=C(NCC1CCN(CCO)CC1)c1cc2ccccc2s1	160722640	YRSJQPONBIZINI-UHFFFAOYSA-N	318.442	2.335	70	20	DEID	
CCCO[C@H]1CCCN(C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1	160730977	IXRWHUNSYWORGQ-SJORKVTESA-N	323.481	2.461	70	20	DEID	
O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)N(CCO)C1CC1	160800778	DEDFUGFTGGVVEK-ZBFHGGJFSA-N	304.390	2.073	70	20	DEID	
O=C(Nc1ccc(N2CCOC2=O)cc1)[C@H](O)c1ccccc1	160853000	WXWGOVXYJFBCMD-OAHLLOKOSA-N	312.325	2.315	70	20	DEID	
C[C@H](CNC(=O)NCC1CCC(C)(C)CC1)N1CCOCC1	159659982	PRYQHMAZPVWFHJ-CQSZACIVSA-N	311.470	2.223	70	20	DEID	
C[C@H](CNC(=O)[C@H]1CCn2ccnc2C1)N1CCc2ccccc21	159664884	ADVBXLCMFGWUFV-ZBFHGGJFSA-N	324.428	2.013	70	20	DEID	
C[C@@H]1CC(=O)CC[C@H]1C(=O)Nc1cccc(-c2nncn2C)c1	159875109	QZUADLMXHPWZGF-IAQYHMDHSA-N	312.373	2.426	70	20	DEID	
COc1cc(CCC(=O)N2CCC(C(N)=O)CC2)ccc1Cl	159513066	XWCLXQXPHKHKDQ-UHFFFAOYSA-N	324.808	2.005	70	20	DEID	
C[C@H](C(=O)NCc1nc2ccccc2n1C)C1CCOCC1	159746440	RKBAPRXKEIKYJU-LBPRGKRZSA-N	301.390	2.252	70	20	DEID	
Cn1cc([C@@]2(C)CN(c3nc(C(C)(C)C)ns3)CCO2)cn1	159977851	JFODHVCXRKHDEP-OAHLLOKOSA-N	321.450	2.321	70	20	DEID	
O=C(NCCOc1ccccc1)NCCc1ccc(O)cc1	217303570	DQTDOXKJUSOGMI-UHFFFAOYSA-N	300.358	2.313	70	20	DEID	
O=C(C=C1CCCC1)NCC1CCN(C(=O)C(F)(F)F)CC1	216743254	QGGDGHLMZPYBOY-UHFFFAOYSA-N	318.339	2.404	70	20	DEID	
CCO[C@H](C(=O)Nc1ccc(C)c(S(=O)(=O)F)c1)C1CC1	875836768	VPERUNGILLHFRQ-ZDUSSCGKSA-N	315.366	2.407	70	20	DEID	
O=C(Nc1nccn1C1CC1)c1cccc(S(=O)(=O)F)c1	1121185521	RZELXVONLJHEOE-UHFFFAOYSA-N	309.322	2.129	70	20	DEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC[C@@H]1c1ccncc1	1518679461	PBVJIULRUILMMD-CYBMUJFWSA-N	323.349	2.045	70	20	DEID	
CCCN(CC(=O)OCC)C(=O)c1cnn(CC(C)C)c1C	161146322	BOCLMTJHSZSMLC-UHFFFAOYSA-N	309.410	2.263	70	20	DEID	
C[C@@H](NCc1ccccc1CN1CCC(O)CC1)[C@@H]1CCOC1	161160643	SURFSSBKOJOUTP-CRAIPNDOSA-N	318.461	2.158	70	20	DEID	
CCN(c1ccc(C(=O)N[C@H](CO)CC(C)C)cn1)C(C)C	161198658	HJHLHBAJQVRYRR-HNNXBMFYSA-N	307.438	2.453	70	20	DEID	
Cc1cccc([C@H]2CCCN2C[C@H](O)COC2CCOCC2)n1	160251215	OOHZNHQATAORTL-MAUKXSAKSA-N	320.433	2.083	70	20	DEID	
Cc1ccc(S(=O)(=O)NCC2(O)CCCCCC2)c(F)c1	160983628	BPIXRSZWBKNGTR-UHFFFAOYSA-N	315.410	2.498	70	20	DEID	
COC(=O)[C@H](Nc1cc(C)n(C)n1)c1cc(OC)cc(OC)c1	159655662	TXGALUUBKLNTJL-OAHLLOKOSA-N	319.361	2.072	70	20	DEID	
CCC[C@@H]1CN(C(=O)NCc2cccc(CN(C)C)c2)CCO1	159665310	WTOKBIIVXUGOHX-QGZVFWFLSA-N	319.449	2.459	70	20	DEID	
COc1cccc2c1CC[C@H]2NC(=O)c1c(C)nn(C)c1OC	159929557	RNURGFWNDSDWKW-CYBMUJFWSA-N	315.373	2.163	70	20	DEID	
CCNC(=O)c1ccc(NC(=O)N2CCC[C@](C)(O)C2)c(C)c1	159556122	SXEDANPVFCZVBN-KRWDZBQOSA-N	319.405	2.123	70	20	DEID	
Cc1ccc(CN2CCCC[C@@H]2CCNS(C)(=O)=O)s1	159395528	SCKJFMQQXCXESV-CYBMUJFWSA-N	316.492	2.350	70	20	DEID	
CO[C@@H]1CC[C@@H](OC(=O)c2ccc(S(=O)(=O)F)cc2C)C1	1338918460	WDCXMLMDPSNOJS-GHMZBOCLSA-N	316.350	2.378	70	20	DEID	
CC[C@H](C#N)N(CC)C(=O)Cc1ccc(S(=O)(=O)F)cc1	1337581194	RMHYQCQNBVRDCD-GFCCVEGCSA-N	312.366	2.038	70	20	DEID	
C#CCN(C(=O)CCc1ccc(S(=O)(=O)F)cc1)C(C)C	1355068737	MQGUKGOSCNLXIN-UHFFFAOYSA-N	311.378	2.148	70	20	DEID	
N[C@H]1CCC[C@@H](NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)C1	161125224	OEIWXZARQSWWRQ-NWDGAFQWSA-N	324.808	2.040	70	20	DEID	
COc1ccc(NC(=O)CCCc2nc(C3CC3)no2)cc1N	161140251	HMNZCLQPVIDQET-UHFFFAOYSA-N	316.361	2.499	70	20	DEID	
C[C@@H]1CN(C)[C@H](C)C[C@H]1NCCCc1nnc2n1CCCCC2	161153274	ZAYVJYICNQBGAG-BZUAXINKSA-N	319.497	2.255	70	20	DEID	
CCc1ncc(NC(=O)N[C@H](C)Cc2c(C)noc2C)cn1	161157236	XEPFKYVIUMCGRE-SECBINFHSA-N	303.366	2.397	70	20	DEID	
COCc1nc2n(n1)C[C@@H](NC(=O)C1CCC(C)(C)CC1)CC2	161183712	FNMZNKPYBQMWOG-ZDUSSCGKSA-N	320.437	2.072	70	20	DEID	
Cc1ccccc1O[C@@H](C)CNC(=O)C1(N)Cc2ccccc2C1	161170446	TZQSAOCRJLVNMT-HNNXBMFYSA-N	324.424	2.375	70	20	DEID	
CCOC(=O)[C@@H]1CCCCN1Cc1ccc([S@](C)=O)cc1	161279036	DHBSAXWUHVMNKG-YCRPNKLZSA-N	309.431	2.342	70	20	DEID	
C[C@H](O)C[C@H](CNC(=O)COCC(F)(F)F)c1ccccc1	160037348	NBKDDDSYLCFWSE-WCQYABFASA-N	319.323	2.236	70	20	DEID	
CC(C)CN(CCN(C)C)C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1	160360335	FCURBNXEDGUSII-HZPDHXFCSA-N	311.470	2.173	70	20	DEID	
CC(C)CN1CCC[C@@H]1CNC(=O)COc1ccccc1F	160392680	VYFYJJBEJUJJGE-CQSZACIVSA-N	308.397	2.441	70	20	DEID	
CC(C)CN1CCC[C@@H]1CNC(=O)Cc1cn2ccsc2n1	160510683	GJESFWUSWYZISW-CQSZACIVSA-N	320.462	2.175	70	20	DEID	
CCn1cc(CN2CCN(c3cccc(OC)c3)CC2)cn1	160684276	RDAKFFYLAATLQO-UHFFFAOYSA-N	300.406	2.234	70	20	DEID	
C[C@@H]1CCC[C@](CNC(=O)N2CCC[C@@](C)(O)C2)(N(C)C)C1	160785531	QIPDMBMPBRLBAZ-OIISXLGYSA-N	311.470	2.053	70	20	DEID	
Cc1conc1NC(=O)C(=O)NCC(C)(C)c1ccccc1F	160932993	VJZJMIHCMPIJJG-UHFFFAOYSA-N	319.336	2.155	70	20	DEID	
CC(=O)N1CC[C@H](NC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)C1	159407348	UMIFGJYTSNQEAG-ZNMIVQPWSA-N	306.793	2.181	70	20	DEID	
CN(C(=O)C1(Cc2ccccc2)CCC1)[C@H]1CCS(=O)(=O)C1	159895310	RUQJKECMEJEJJF-HNNXBMFYSA-N	321.442	2.045	70	20	DEID	
CC(C)OC(=O)CCCNC(=O)N[C@H](C)Cc1ccc(O)cc1	159578168	COLXPUZVJJCKRM-CYBMUJFWSA-N	322.405	2.354	70	20	DEID	
CCC[C@@H]1CN(C(=O)NCc2ccc(OC)cc2OC)CCO1	159974281	KBOPEJNYZIGMOR-OAHLLOKOSA-N	322.405	2.414	70	20	DEID	
CCN(CCS(C)(=O)=O)C(=O)Nc1cccc(SC)c1	159789252	UUIVKHIQCLSPER-UHFFFAOYSA-N	316.448	2.307	70	20	DEID	
COc1cccc(C(=O)Nc2ccc(S(=O)(=O)F)cc2)n1	776364746	XGWRROLPRBBFRH-UHFFFAOYSA-N	310.306	2.001	70	20	DEID	
COC[C@@H](O)CCNC(=O)[C@@H](C)Oc1cccc(C(C)(C)C)c1	161048605	BREDQYSAQQSHFE-HIFRSBDPSA-N	323.433	2.265	70	20	DEID	
C[C@H](NC(=O)C(=O)Nc1ccccc1Cl)C1CCOCC1	161150955	XRHFDOYYKQGFQA-JTQLQIEISA-N	310.781	2.210	70	20	DEID	
CCCN(CC)c1ccc(C(=O)NCC[C@@H](O)COC)cc1	161342328	LRTQGWLJXZCFDG-MRXNPFEDSA-N	308.422	2.050	70	20	DEID	
CC(=O)N1CCC[C@@H](C(=O)N2CCc3c(Cl)cccc32)C1	161453087	ZMUCEQLRUPLUTO-GFCCVEGCSA-N	306.793	2.488	70	20	DEID	
CCCN(CC(=O)NC)C(=O)C[C@@H](C)c1ccc(F)cc1F	160294958	CRPCTDZYZFLOOC-LLVKDONJSA-N	312.360	2.443	70	20	DEID	
NC(=O)C1(NC(=O)Cc2ccc(F)cc2Cl)CCCCC1	160301321	PXVJTRMPPGBAKO-UHFFFAOYSA-N	312.772	2.326	70	20	DEID	
C[C@]1(NC(=O)Nc2cccc(NC(=O)C3CC3)c2)CCOC1	160418271	CSUGKARTGZIWOV-INIZCTEOSA-N	303.362	2.336	70	20	DEID	
CCC(N)(CC)CNC(=O)c1cn(-c2ccccc2)nc1C	160496366	JMGGJSBTSGXMDS-UHFFFAOYSA-N	300.406	2.428	70	20	DEID	
CCN(CC(C)(C)O)C(=O)Nc1ccn(CC(F)(F)F)n1	160678910	RCFKJMWPJVNZKT-UHFFFAOYSA-N	308.304	2.070	70	20	DEID	
CCOCCC1(CNC(=O)NCc2c(C)nn(C)c2C)CC1	159620659	PWEZWBSFEVFZNR-UHFFFAOYSA-N	308.426	2.043	70	20	DEID	
C[C@H](Nc1ccc(S(C)(=O)=O)cc1)C(=O)N1CCCC[C@H]1C	159373466	CXEUHWNMNPQWDM-OLZOCXBDSA-N	324.446	2.292	70	20	DEID	
Cc1ccccc1CCNC(=O)[C@H](C)Nc1cc(C)n(C)n1	159566320	OOXHIUIMVBOPED-AWEZNQCLSA-N	300.406	2.196	70	20	DEID	
CN(C[C@@H]1CCC[C@@H]1O)[C@@H]1CCCN(c2cccc(F)c2)C1=O	159588498	MSJYRLMAHJCWIE-XKQJLSEDSA-N	320.408	2.414	70	20	DEID	
Cc1nccc(NC(=O)N[C@@H](C)c2nnc3n2CCC3)c1Cl	159986842	PDHPJBYVSRNXMV-VIFPVBQESA-N	320.784	2.464	70	20	DEID	
COCc1nc2n(n1)C[C@H](N[C@H](C)c1ccccc1C)CC2	159793542	WTORTJBYAQAYKS-ZIAGYGMSSA-N	300.406	2.399	70	20	DEID	
CC(=O)c1cc(C(=O)Nc2cccc(S(=O)(=O)F)c2)n(C)c1	460094452	PRFKFAHPKKFNAW-UHFFFAOYSA-N	324.333	2.138	70	20	DEID	
C[C@H]1CN(c2ccc([N+](=O)[O-])cc2CS(=O)(=O)F)C[C@@H]1C	882037157	VYJAKSFRLDQVNM-UWVGGRQHSA-N	316.354	2.486	70	20	DEID	
C[C@@H](CNC(=O)CCc1ccc(S(=O)(=O)F)cc1)C1CC1	1338283010	USPGMQKCXSTSAX-NSHDSACASA-N	313.394	2.440	70	20	DEID	
Cc1c(NC(=O)N[C@@H]2C=C[C@H](CO)C2)cnn1CCC(C)C	161455520	PNKNDHPOLYNLQP-UONOGXRCSA-N	306.410	2.296	70	20	DEID	
CCN1CCN(C[C@@H](C)CNC(=O)[C@H](C)c2cccs2)CC1	160118343	JQOJHJIMJQQRFK-LSDHHAIUSA-N	323.506	2.241	70	20	DEID	
CCN(CC)c1nc2sc(C(=O)NCCCN)cc2s1	160124329	BROQHWZIQDHKLI-UHFFFAOYSA-N	312.464	2.283	70	20	DEID	
COc1cccc2c1CC[C@H]2NC(=O)CNC(=O)CCC(C)C	160206635	ULFQQNPRDIVKGR-OAHLLOKOSA-N	318.417	2.351	70	20	DEID	
CCOCc1ccc(CNC(=O)NCc2cnn(C)c2C)cc1	159626939	BDBGSKRCTGFEOV-UHFFFAOYSA-N	316.405	2.264	70	20	DEID	
O=C(NCc1nnc2n1CCCCC2)c1ccnc(Cl)c1F	159452099	ORTGLZWXJJXYIF-UHFFFAOYSA-N	323.759	2.122	70	20	DEID	
NCCCCCCC(=O)N1CCC(CN2CCCCC2=O)CC1	159466941	INKCDZYFTVZYEL-UHFFFAOYSA-N	323.481	2.147	70	20	DEID	
CN(C)[C@@H](CNC(=O)N[C@H]1CCO[C@H](C2CC2)C1)c1ccco1	159483262	FEZVMVIJXMXJPV-DZKIICNBSA-N	321.421	2.139	70	20	DEID	
CC[C@H]1CN(C(=O)c2ccnc(OCC(F)(F)F)c2)CCO1	159881220	ZSAALWZIQNHRFB-NSHDSACASA-N	318.295	2.274	70	20	DEID	
CCOc1ccccc1OCC(=O)NCC1(N)CCCCC1	159506919	WVENWGNGTWDFBJ-UHFFFAOYSA-N	306.406	2.242	70	20	DEID	
CN(CC1(O)CCOCC1)C(=O)c1cc(Cl)ncc1Cl	161494278	KQHVWMKALXSLSA-UHFFFAOYSA-N	319.188	2.002	70	20	DEID	
C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(C)c(S(=O)(=O)F)c1	857673619	FWAOPRSTXQGQHF-NEPJUHHUSA-N	313.350	2.183	70	20	DEID	
O=C(CSC1CC1)Nc1ccc(F)c(CS(=O)(=O)F)c1	876320017	XSMFJFXXCCYJCC-UHFFFAOYSA-N	321.370	2.459	70	20	DEID	
COC[C@H](O)CCNC(=O)Nc1ccc(CCSC)cc1	161058220	NGFFXRJKMOFHGJ-CQSZACIVSA-N	312.435	2.111	70	20	DEID	
CCc1ncc(NC(=O)NCCc2nc(C)c(C)s2)cn1	161212426	SRLKSBRVKUQJEP-UHFFFAOYSA-N	305.407	2.477	70	20	DEID	
COC[C@H](O)CCNC(=O)c1cc2c(ccc3ccccc32)[nH]1	161224453	BLOASCVOJYLOST-CYBMUJFWSA-N	312.369	2.448	70	20	DEID	
CCNC(=O)CN(C)CCCc1cc(-c2ccccc2)n[nH]1	161389480	FXQOWHMGDREGNJ-UHFFFAOYSA-N	300.406	2.077	70	20	DEID	
CN(CCCn1ccnc1)C(=O)c1csc([C@@H]2CCCO2)n1	160068288	JIVCKWKFQWLYOM-ZDUSSCGKSA-N	320.418	2.353	70	20	DEID	
C[C@H](CCc1ccc(O)cc1)NC(=O)N1CCC[C@@](C)(O)C1	160083072	XOPMETGGRLBKDL-CXAGYDPISA-N	306.406	2.270	70	20	DEID	
O=S(=O)(NCC1(C2CC2)CC1)c1ccc2c(c1)OCCCO2	160183286	QCZUAQKOCJDDBK-UHFFFAOYSA-N	323.414	2.316	70	20	DEID	
Cc1cc(C(=O)Nc2ccccc2N2CCC(CO)CC2)[nH]n1	160334873	FMVBSKIFSKNBAI-UHFFFAOYSA-N	314.389	2.179	70	20	DEID	
O=C(Cc1cccs1)NC1CCN([C@@H]2CCCC[C@@H]2O)CC1	160504970	YGEDENRYMKERPK-CVEARBPZSA-N	322.474	2.175	70	20	DEID	
CN(C(=O)c1ccc(-n2cnnc2)cc1)c1ccc2c(c1)OCO2	160583212	WBUNKOGEZHEKAZ-UHFFFAOYSA-N	322.324	2.273	70	20	DEID	
CC(C)CSCCCNC(=O)COc1ccc(C(N)=O)cc1	160763704	GARZLZVBVZBBBH-UHFFFAOYSA-N	324.446	2.060	70	20	DEID	
CNC[C@@H](C)C(=O)NCc1ccc(OC)cc1OC1CCCC1	160900753	LFZRIVKFGYSLFV-CYBMUJFWSA-N	320.433	2.488	70	20	DEID	
CCC1(CC)[C@@H](NC(=O)NCc2ccnc(OC)c2)C[C@@H]1OC	159416965	UYEDXEGLKMHYHE-KBPBESRZSA-N	321.421	2.483	70	20	DEID	
Cc1cccc2nc(CNC(=O)c3cccnc3N(C)C)n(C)c12	159830477	JQYNPNSEXNEBRL-UHFFFAOYSA-N	323.400	2.273	70	20	DEID	
CCN(CCCNC(=O)N1CCC[C@](C)(O)C1)c1ccccc1	159952851	ODGWCAAVKCBKHR-SFHVURJKSA-N	319.449	2.459	70	20	DEID	
CN([C@H](CN)C1CC1)S(=O)(=O)c1ccc(C(C)(C)C)cc1	159964838	QXPPMZKMAUAWME-OAHLLOKOSA-N	310.463	2.342	70	20	DEID	
C[C@@H](CCOc1ccccc1)C(=O)N1C[C@@H]2CCC[C@H](C1)N2	159397489	HXHAORCFDBROAU-HRCADAONSA-N	302.418	2.445	70	20	DEID	
CN(CCNC(=O)c1cnc(C(F)(F)F)nc1)c1ccccc1	159799386	CKLSQFAWEBPRAN-UHFFFAOYSA-N	324.306	2.362	70	20	DEID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)[C@@H]1CSCCS1	274988723	RFLALSHQHAKWBZ-JTQLQIEISA-N	321.420	2.132	70	20	DEID	
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)F)cc2)cn1	460094516	PZVNUPOYNLSYIO-UHFFFAOYSA-N	310.306	2.001	70	20	DEID	
C[C@@H]1CC[C@@H](COC(=O)c2ccc(S(=O)(=O)F)cc2)O1	490537757	VFQJLEOXMKYAFI-KOLCDFICSA-N	302.323	2.069	70	20	DEID	
COc1ncc(C)cc1NC(=O)c1cccc(S(=O)(=O)F)c1	1516690497	USCUJILFMZXHKH-UHFFFAOYSA-N	324.333	2.309	70	20	DEID	
C[C@H](NC(=O)C(=O)Nc1cccc(Cl)c1)C1CCOCC1	161081898	CSLSCUCKABVZHN-JTQLQIEISA-N	310.781	2.210	70	20	DEID	
CSC[C@@H](CCO)NC(=O)Nc1ccn(CCC(C)C)n1	161164546	PZRZXIYSVXPTMB-GFCCVEGCSA-N	314.455	2.165	70	20	DEID	
CN(C)[C@H](CNC(=O)c1cc(F)cc2cccnc12)C1CC1	161212391	OGFZRUCOBUBSFZ-OAHLLOKOSA-N	301.365	2.444	70	20	DEID	
CCc1ccc([C@H](CO)NC(=O)NCCc2cscn2)cc1	160070271	QRAMSRUGLLRBGC-HNNXBMFYSA-N	319.430	2.281	70	20	DEID	
CCN(CC)[C@H](CNC(=O)CSCC(C)=O)c1ccco1	160157492	DMTBPXOHPCRENG-CYBMUJFWSA-N	312.435	2.101	70	20	DEID	
COCC(C)(C)NC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1	160199635	ZNGFEQAAIKDJJQ-GDBMZVCRSA-N	319.449	2.374	70	20	DEID	
CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)N(C)Cc2cccn2C)C1	160894344	KMUWRMPSYKSIKI-HUUCEWRRSA-N	319.449	2.268	70	20	DEID	
CCCCn1ncc(C(=O)NCc2cccnc2OC)c1C	160899918	PWUIIFKZTQMBOK-UHFFFAOYSA-N	302.378	2.325	70	20	DEID	
C[C@](O)(CNc1ccc(S(C)(=O)=O)cc1)c1ccsc1	159404155	BJYNNVWGWUYXGX-AWEZNQCLSA-N	311.428	2.471	70	20	DEID	
COc1ccc(OC)c(CC(=O)Nc2cccc(CO)c2)c1	159812484	LBPZTIYOZKZUIY-UHFFFAOYSA-N	301.342	2.377	70	20	DEID	
O=C(Cc1cn2ccccc2n1)N[C@@H]1CCOC2(CCCC2)C1	159429467	JWLLXNLPOABDLQ-CQSZACIVSA-N	313.401	2.485	70	20	DEID	
C[S@](=O)c1ccc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1	159649834	GXSOZDYJUMBCKE-KGWSRGFLSA-N	305.443	2.471	70	20	DEID	
COCCOCCCNC(=O)Nc1ccnc(C)c1Cl	159476026	GEKRJPIAOQTLGJ-UHFFFAOYSA-N	301.774	2.218	70	20	DEID	
Cc1ccc(CNC(=O)CCCNC(=O)c2cccnc2)cc1	159675281	RLMVBMUECCGYRD-UHFFFAOYSA-N	311.385	2.216	70	20	DEID	
CC(C)N(C(=O)[C@@H](C)SCCN1CCOCC1)C(C)C	159874036	JITHLSQLLWZZJV-CQSZACIVSA-N	302.484	2.086	70	20	DEID	
CSCC[C@@H](N)C(=O)NC[C@H](C)c1ccc(F)cc1F	159494353	IPLFBKUJNMMGIG-TVQRCGJNSA-N	302.390	2.265	70	20	DEID	
Cc1nn(C)c(C)c1[C@@H](OC(=O)c1cocn1)C(F)(F)F	159906141	GWXDBSOZNATSGM-SNVBAGLBSA-N	303.240	2.485	70	20	DEID	
O=C(N[C@@H]1CCOC2(CCCC2)C1)[C@@H]1CSCCS1	159917768	SBIKFMUASQWCCX-NEPJUHHUSA-N	301.477	2.443	70	20	DEID	
Cn1nccc1CNC(=O)[C@H]1C[C@H]1c1ccccc1OC(F)F	159585019	DSFDZRJSDDSZFG-STQMWFEESA-N	321.327	2.441	70	20	DEID	
CC(=O)Nc1cccc(NC(=O)N(C)C2CCN(C)CC2)c1	217300577	OZVXTHAYAHDLAC-UHFFFAOYSA-N	304.394	2.203	70	20	DEID	
C[C@H](OCC1CC1)C(=O)Nc1cccc(S(=O)(=O)F)c1	769662485	OOJGWLCSCZCXDN-VIFPVBQESA-N	301.339	2.098	70	20	DEID	
COc1ccc(S(=O)(=O)NC2(C)CCOCC2)cc1Cl	161015724	MWYYHAVXZHRWHC-UHFFFAOYSA-N	319.810	2.196	70	20	DEID	
CSC[C@H](C)NC(=O)Nc1ccc(-c2ncn(C)n2)cc1	161345864	QULUMRZKOBQSFO-JTQLQIEISA-N	305.407	2.355	70	20	DEID	
Cc1ccc(NC(=O)C(=O)N(C)Cc2cccc(F)c2)cn1	160532794	DRSXWQMBRILZCL-UHFFFAOYSA-N	301.321	2.126	70	20	DEID	
COC(=O)CCCC(=O)O[C@H](C)c1cn(-c2ccccc2)nn1	160645068	ZRXOHLFSKPHFSV-GFCCVEGCSA-N	317.345	2.215	70	20	DEID	
CCCCNC(=O)[C@@H]1CCCN(CCCN2CCCCC2)C1	160746006	ZPFSGWNGVUQSLS-QGZVFWFLSA-N	309.498	2.491	70	20	DEID	
CC(C)OC(=O)CCNC(=O)c1csc([C@H]2CCCO2)n1	160771339	RHEGCULUVKIGQK-LLVKDONJSA-N	312.391	2.066	70	20	DEID	
CC(=O)N(Cc1ccc(NC(=O)C2CCNCC2)cc1)C(C)C	160954872	MMHXGKOJSRHQCT-UHFFFAOYSA-N	317.433	2.382	70	20	DEID	
O=S(=O)(/C=C/c1ccccc1Cl)N1CCC[C@H]1CO	159850200	ZTWLBQWINWKOKC-CRALRDPISA-N	301.795	2.097	70	20	DEID	
COc1cc(C)cc(CNC(=O)NC[C@H](C)N(C)C2CC2)c1	159861645	ULLJNYICZCBUFO-ZDUSSCGKSA-N	305.422	2.286	70	20	DEID	
CCN1CCCN(C(=O)N[C@H]2CCc3c(O)cccc32)CC1	159912587	RAJLVQMNXIGBMO-HNNXBMFYSA-N	303.406	2.117	70	20	DEID	
CC(C)OC(=O)CCCNC(=O)N[C@H]1CCc2c(O)cccc21	159762963	UOMBPGQPTVBSBE-AWEZNQCLSA-N	320.389	2.411	70	20	DEID	
Cc1cccc([C@@H](NC(=O)Cn2cccn2)c2ccccn2)c1	159781011	KGWPPFWSDSEWCE-GOSISDBHSA-N	306.369	2.492	70	20	DEID	
C[C@H]1C[C@@H](C(=O)Nc2cccc(S(=O)(=O)F)c2)CCC1=O	460097533	WQFYSANWMDKFSG-UWVGGRQHSA-N	313.350	2.289	70	20	DEID	
CN(C)c1ccc(C(=O)Nc2cccc(S(=O)(=O)F)c2)cn1	460089580	FSSOIQYXOMROBZ-UHFFFAOYSA-N	323.349	2.058	70	20	DEID	
CCc1nc(C)c(C(=O)Nc2ccc(S(=O)(=O)F)cc2)o1	864238383	IVXKNMFZAFVKHM-UHFFFAOYSA-N	312.322	2.456	70	20	DEID	
CC(C)C[C@H]1CCCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1	1351023750	SSBOUKXCGPCKTQ-SNVBAGLBSA-N	302.371	2.324	70	20	DEID	
CCc1ccccc1NC(=O)C(=O)N[C@H](C)C1CCOCC1	161085438	XSEOEIFEPLFANV-GFCCVEGCSA-N	304.390	2.119	70	20	DEID	
Cc1ccccc1NC(=O)CN1CCN(Cc2ccncc2)CC1	161141141	DZQBKNSGTLGOJE-UHFFFAOYSA-N	324.428	2.146	70	20	DEID	
c1ccc2[nH]c(CN3CCN(Cc4ccncc4)CC3)nc2c1	161162201	DNFZRBURTRSTLH-UHFFFAOYSA-N	307.401	2.276	70	20	DEID	
CCNC(=O)c1cccc(CNC2CCC3(CC2)OCCO3)c1	161331798	VHDKRHUBIBTKEX-UHFFFAOYSA-N	318.417	2.212	70	20	DEID	
O=C(NC[C@@H](O)CN1CCCCC1)c1cc2ccccc2o1	160005475	MBXOVLOBWYACEG-CQSZACIVSA-N	302.374	2.009	70	20	DEID	
CCc1noc(C)c1CS[C@@H](C)C(=O)NCCCOC	160073704	NOGXGTSZMRQMTL-NSHDSACASA-N	300.424	2.320	70	20	DEID	
C[C@H](C(=O)NCC1CCN(CCN(C)C)CC1)c1ccsc1	160143533	SMCDAOWKDQEZGB-AWEZNQCLSA-N	323.506	2.241	70	20	DEID	
C[C@H](NCCN1CCC(N(C)C)CC1)c1cccnc1Cl	160197340	HVNCFKPTAGWVDX-ZDUSSCGKSA-N	310.873	2.412	70	20	DEID	
CCC(N)(CC)CNC(=O)CC[C@@H]1Cc2ccccc2NC1=O	160456026	VADRKRUXSGDMSR-CQSZACIVSA-N	317.433	2.211	70	20	DEID	
C[C@H](CCCO)NC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1	159831356	YJVKDBLXVRQTTC-BMFZPTHFSA-N	306.406	2.367	70	20	DEID	
O=C(N[C@H]1CCC[C@@H]2OCC[C@H]12)c1cc(-c2ccco2)[nH]n1	159834420	CHNQFSIBBGWCAO-SUNKGSAMSA-N	301.346	2.357	70	20	DEID	
O=C(NCCc1cscn1)N1CCC[C@@H]1CN1CCCCC1	159468821	FXTORJLKZTXJBV-OAHLLOKOSA-N	322.478	2.346	70	20	DEID	
COc1ccc(N(C)C(=O)CCNC(=O)C(C)(C)C)cc1F	159551402	ZRGRTKIOHCMCDF-UHFFFAOYSA-N	310.369	2.350	70	20	DEID	
C[C@@H]1CCC[C@@H]1C(=O)Nc1cncc(OS(=O)(=O)F)c1	2088595718	CZNSWGSLSNUPRS-KCJUWKMLSA-N	302.327	2.049	70	20	DEID	
O=C(CCc1nccs1)Nc1cccc(S(=O)(=O)F)c1	460097629	XCAMUKZPOOTRAK-UHFFFAOYSA-N	314.363	2.373	70	20	DEID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)Nc1ccc(CN)cc1	1579640018	PSQYTUXZQJHZEV-UHFFFAOYSA-N	322.361	2.364	70	20	DEID	
Cc1ccc(S(=O)(=O)NC2(C)CCOCC2)cc1Cl	161024736	IAJVCDVGEQCJKC-UHFFFAOYSA-N	303.811	2.496	70	20	DEID	
NS(=O)(=O)c1cnc(N[C@H]2CCCc3sccc32)s1	161053494	YIWAFKMQYNCTBH-QMMMGPOBSA-N	315.445	2.342	70	20	DEID	
O=C(c1csc([C@@H]2CCCO2)n1)N1CCOCC12CCC2	161190521	CKGZFGNOMQGRKI-LBPRGKRZSA-N	308.403	2.390	70	20	DEID	
Cn1ccnc1-c1cccc(NC(=O)N2CCC[C@](C)(O)C2)c1	161218680	NSRSYWCZVBGYNH-KRWDZBQOSA-N	314.389	2.466	70	20	DEID	
COCC(C)(C)NC(=O)Nc1ccc(-c2ncn(C)n2)cc1	161288953	JQAQPYVDAMZDQO-UHFFFAOYSA-N	303.366	2.029	70	20	DEID	
Cc1nc2n(n1)C[C@H](NC(=O)c1ccc(Cl)cc1C)CC2	161346477	GGGDKILPXHOQDG-GFCCVEGCSA-N	304.781	2.293	70	20	DEID	
CNC(=O)CCNC(=O)c1ccc(CCC(F)(F)F)cc1	161448700	NSZBBSYFMSVDKI-UHFFFAOYSA-N	302.296	2.047	70	20	DEID	
CC(C)Oc1ccc(NC(=O)C(=O)NCCn2cccc2)cc1	160094849	LXVIKUJCEIBIQO-UHFFFAOYSA-N	315.373	2.030	70	20	DEID	
CCN1C[C@@H](C(=O)O[C@@H](c2ccccn2)C(F)(F)F)CC1=O	160227779	RPWQRAKNXJAGCQ-CABZTGNLSA-N	316.279	2.097	70	20	DEID	
CCOc1ccc(/C=C/C(=O)N2CCC[C@@H]2CN)cc1OCC	160247852	CPTRHPKPMUCFRG-TUPIDYKKSA-N	318.417	2.447	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)c1cccnc1OCC(C)C	160382931	BWBZAQNTFPBMMG-GFCCVEGCSA-N	308.378	2.188	70	20	DEID	
CC[C@H](CO)NC(=O)N[C@@H](c1ccco1)c1ccccc1OC	160605627	OTMORHDOQUJVDA-MLGOLLRUSA-N	318.373	2.448	70	20	DEID	
O=C(CCc1ccoc1)NC1CCN([C@H]2CCCC[C@@H]2O)CC1	160655448	ZTDDBXUGKBHNGG-IRXDYDNUSA-N	320.433	2.096	70	20	DEID	
CC[C@@H]1CCCC[C@H]1NC(=O)N(C)Cc1nc(CCOC)no1	160958738	SXPYKDIVSGHSKO-CHWSQXEVSA-N	324.425	2.369	70	20	DEID	
CCc1nc(CN2CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)n[nH]1	159411365	QBVXPCOXOSGAEE-RYUDHWBXSA-N	323.441	2.245	70	20	DEID	
CN(Cc1ccc(O)cc1)S(=O)(=O)N(C)C1CCCCC1	159612697	OXVXVASIRQZPGS-UHFFFAOYSA-N	312.435	2.333	70	20	DEID	
COC(=O)Nc1cccc(C(=O)Nc2c[nH]c(=O)c(C)c2)c1	159462390	BKSYMRBNEMBSGH-UHFFFAOYSA-N	301.302	2.114	70	20	DEID	
Cc1ccc(C(=O)CCN2CCC[C@@H]2C(=O)NC2CC2)cc1	159663268	PFFZRHDZGJLBJU-MRXNPFEDSA-N	300.402	2.311	70	20	DEID	
Cc1nn2cccnc2c1C(=O)N[C@@H]1CCOC2(CCCC2)C1	159860951	WOCFJLHVIZKHLO-CYBMUJFWSA-N	314.389	2.259	70	20	DEID	
COCCC(C)(C)CNC(=O)Nc1ccnn1C[C@@H]1CCOC1	159715580	HHZMTFXHVGSTPJ-ZDUSSCGKSA-N	324.425	2.104	70	20	DEID	
CC(=O)N1CC[C@H](NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2Cl)C1	159554506	KZRWLALSPGPGRR-SRVKXCTJSA-N	324.783	2.320	70	20	DEID	
O=C(c1cccc(COc2cccc(F)c2)c1)N1CCNCC1	159391769	BLXLGFDSUAFZGP-UHFFFAOYSA-N	314.360	2.450	70	20	DEID	
CCN(C(=O)NCCC1CCCCC1)[C@H]1CCS(=O)(=O)C1	217305172	ZGHWDJBTSBCLBV-AWEZNQCLSA-N	316.467	2.175	70	20	DEID	
CC[C@@H](C)[C@@H](OC)C(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	857672902	LPUVVYOKGOMFGQ-PRHODGIISA-N	321.345	2.484	70	20	DEID	
O=C(/C=C\[C@H]1CCOC1)Nc1ccc(S(=O)(=O)F)c(F)c1	857672853	KUHAPXRVDNFNSL-LVXRCVOFSA-N	317.313	2.015	70	20	DEID	
O=C(c1ccc(S(=O)(=O)F)cc1)N1CCCC(F)(F)C1	864244169	MXGFENICNWXIDD-UHFFFAOYSA-N	307.293	2.216	70	20	DEID	
O=C(Nc1cc2cc[nH]c2cn1)c1ccc(S(=O)(=O)F)cc1	864244532	ZVBMRFAEUTYPFU-UHFFFAOYSA-N	319.317	2.473	70	20	DEID	
CC[C@@H](COC)NC(=O)c1cc(S(=O)(=O)F)ccc1Cl	1121124345	DQUMBQPZUCBROF-QMMMGPOBSA-N	323.773	2.153	70	20	DEID	
O[C@H](COc1ccccc1)CN1CC[C@]2(O)CCCC[C@@H]2C1	161124881	DQWBVIJIIXQVII-SOLBZPMBSA-N	305.418	2.053	70	20	DEID	
COC1(C(=O)N2CC[C@H](c3ccccc3)[C@@H]2C)CCNCC1	161423568	IYFJPGNIZVEHQS-HOCLYGCPSA-N	302.418	2.160	70	20	DEID	
CCOCCC1(CNC(=O)NC[C@H](O)c2ccccc2F)CC1	161449071	SGPBHPOPGXBRFH-HNNXBMFYSA-N	324.396	2.365	70	20	DEID	
CC(C)Cn1cnc(S(=O)(=O)N[C@@H](C)c2cccc(O)c2)c1	160142589	IIQHIXQVDNUHFI-LBPRGKRZSA-N	323.418	2.284	70	20	DEID	
CC[C@@H]1CN(C(=O)NCCCC(=O)OC(C)C)CCS1	160201458	IJNPBDZSYSBPAT-GFCCVEGCSA-N	302.440	2.255	70	20	DEID	
Cn1c(=O)oc2c(C(=O)Nc3nnc(C4CC4)s3)cccc21	160247509	HBKCFIICTLRMIZ-UHFFFAOYSA-N	316.342	2.113	70	20	DEID	
CC(C)CN1CCC[C@@H]1CNC(=O)c1cccc(NC(N)=O)c1	160455275	IXEJOLDNBVXPKW-OAHLLOKOSA-N	318.421	2.027	70	20	DEID	
CNC(=O)c1cccc(CNC(=O)N2CC[C@H](C)[C@H](C)C2)c1	160478073	TUIMXOARRCKWBU-QWHCGFSZSA-N	303.406	2.234	70	20	DEID	
CC[C@@H](CO)NC(=O)N[C@H](c1ccco1)c1ccccc1OC	160605247	OTMORHDOQUJVDA-LRDDRELGSA-N	318.373	2.448	70	20	DEID	
C[C@H](C[C@@H](O)c1ccccc1)NC(=O)c1cc(N(C)C)ccn1	160696092	XQCDXYVCAUUROY-CXAGYDPISA-N	313.401	2.390	70	20	DEID	
CCOc1ccc(CNC(=O)NCC[C@@H](O)CC)cc1OC	160959438	OGEHFFGTVMLCCD-ZDUSSCGKSA-N	310.394	2.054	70	20	DEID	
COC[C@@H](NC(=O)Nc1ccc(N(C)C(C)=O)cc1)C1CC1	159686512	PIZWQMHSCCIKSY-OAHLLOKOSA-N	305.378	2.216	70	20	DEID	
CC(C)(CCS(C)(=O)=O)Nc1nc(C(C)(C)C)ns1	159742969	XHGURRZPDJVVQP-UHFFFAOYSA-N	305.469	2.461	70	20	DEID	
O=C(NCCCOc1ccccc1)N1CCCC[C@@H]1CCO	217299809	HEACVUMJUVVCRA-OAHLLOKOSA-N	306.406	2.402	70	20	DEID	
Cn1nc(C(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1C1CC1	460093197	NRIXXLRYIRYHHE-UHFFFAOYSA-N	323.349	2.208	70	20	DEID	
C[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CCCCC1	1262788352	ZYKNKWQNMKMNRA-SECBINFHSA-N	302.371	2.372	70	20	DEID	
CCC[C@@H]1C(=O)NCCN1C(=O)Nc1cc(C(C)(C)C)on1	161081303	KCGCRIFWYIQEHY-SNVBAGLBSA-N	308.382	2.105	70	20	DEID	
COC[C@H](NC(=O)NC[C@H](C[C@@H](C)O)c1ccccc1)C1CC1	161183100	PURUWTLIEDHLMW-COXVUDFISA-N	320.433	2.265	70	20	DEID	
CCc1n[nH]c(-c2ccccc2NC(=O)CN(C)C(C)C)n1	161340828	QYKNTHZTWNVVGA-UHFFFAOYSA-N	301.394	2.313	70	20	DEID	
CCOc1ccc(CNC(=O)N2CCO[C@H](C)[C@H]2C)cc1OC	160182523	JVGHWSKHTIHLGQ-CHWSQXEVSA-N	322.405	2.413	70	20	DEID	
CCOCCCN1CCN(C(=O)Cc2ccc(C)cc2)CC1	160185444	GCZRFKOZCWHASF-UHFFFAOYSA-N	304.434	2.108	70	20	DEID	
C[C@@H](CC(=O)N1CCC[C@H](N2CCCC2=O)C1)c1ccncc1	160274675	UNTXASMYUYYIEJ-HOCLYGCPSA-N	315.417	2.189	70	20	DEID	
C[C@H]1CN(CC2CCN(CCOCC3CC3)CC2)C[C@H](C)O1	160289604	XVQZIQJGHNQEGO-HOTGVXAUSA-N	310.482	2.234	70	20	DEID	
Cc1ccc(-c2nnc(NC(=O)c3cc(C(C)C)nn3C)[nH]2)o1	160370551	QEJBGXXIBJBZEY-UHFFFAOYSA-N	314.349	2.482	70	20	DEID	
COCc1cc(NCc2ccc(C)cc2OC)n2ncnc2n1	160523579	HRMZDHIFQJFQKZ-UHFFFAOYSA-N	313.361	2.200	70	20	DEID	
O=C(NCC1CCN(CCO)CC1)c1cc2c(s1)CCCC2	160671407	FZGZNRABFRRDKR-UHFFFAOYSA-N	322.474	2.061	70	20	DEID	
COC[C@@H](O)CCNC(=O)C[C@H](c1ccccc1)C(F)(F)F	160806815	QKPXKTXAAVVANY-QWHCGFSZSA-N	319.323	2.236	70	20	DEID	
Cc1cnccc1CCNC(=O)NCCN(C)C1CCCC1	160843412	MHHKGDZRQQDXAR-UHFFFAOYSA-N	304.438	2.106	70	20	DEID	
Cc1noc([C@H]2COCCN2Cc2nc3cc(F)ccc3o2)n1	160934606	NOECKKUDFWSNLE-GFCCVEGCSA-N	318.308	2.232	70	20	DEID	
Cc1noc(C)c1[C@@H](C)CNC(=O)NC[C@H]1CCCN(C)C1	159801576	RRMJAIMETUBKJV-SMDDNHRTSA-N	308.426	2.036	70	20	DEID	
COC(=O)CCCc1csc(NC(=O)[C@H]2CCCCO2)n1	159741900	CXNODSXTLMGRCT-LLVKDONJSA-N	312.391	2.146	70	20	DEID	
CCOCCNC(=O)Nc1ccc(CCC(=O)OCC)cc1	159577905	MUABPTUPBFMXLO-UHFFFAOYSA-N	308.378	2.340	70	20	DEID	
COCCCN(C)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1	159985826	UIWUWCBNOKXPCP-DOTOQJQBSA-N	319.449	2.327	70	20	DEID	
C[C@H]1C[C@H](C(=O)Nc2cccc(S(=O)(=O)F)c2)CCC1=O	460097535	WQFYSANWMDKFSG-VHSXEESVSA-N	313.350	2.289	70	20	DEID	
CCn1c(SCc2nnc(C)n2C)nc2ccsc2c1=O	161023350	UVPZHBHTZYHQAT-UHFFFAOYSA-N	321.431	2.207	70	20	DEID	
CCO[C@H](CCN(C)C)CNC(=O)C[C@@H](C)c1ccncc1	161098202	RSMYNRPMRNPZPC-GDBMZVCRSA-N	307.438	2.048	70	20	DEID	
CCCCn1c(S[C@@H]2Cc3ccccc3C2=O)n[nH]c1=O	161214400	ZPZMYZGSCSGCLX-GFCCVEGCSA-N	303.387	2.271	70	20	DEID	
COC(=O)c1ccc(C(=O)N[C@@H]2CCOC3(CCCC3)C2)cn1	161349390	INLJSQHWTCQKPD-CYBMUJFWSA-N	318.373	2.090	70	20	DEID	
COc1cc(C(=O)NCC(C)(C)N)ccc1OC1CCCC1	160021057	RIFWLSFPPWYPSE-UHFFFAOYSA-N	306.406	2.484	70	20	DEID	
COCC(C)(C)NC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1	160199780	ZNGFEQAAIKDJJQ-GOEBONIOSA-N	319.449	2.374	70	20	DEID	
Cc1nn(C)c(C)c1[C@@H](OC(=O)[C@@H]1CCOC1)C(F)(F)F	160210079	MZTKJUYKWXTPAD-MWLCHTKSSA-N	306.284	2.220	70	20	DEID	
C[C@@H](CC(=O)NC[C@]1(O)CCSC1)c1ccc(F)cc1F	160216161	DNAXINLCHGDWDQ-ZUZCIYMTSA-N	315.385	2.443	70	20	DEID	
CC(C)OC(=O)CCCNC(=O)NCC[C@H](O)c1ccccc1	160231539	BDWJUBYEEXMDKZ-HNNXBMFYSA-N	322.405	2.141	70	20	DEID	
Cc1nc(NC(=O)[C@H]2CCCN2C(=O)C(C)C)cc(C2CC2)n1	160246408	SBAQDZWYLVLZDJ-CQSZACIVSA-N	316.405	2.248	70	20	DEID	
CCCNC(=O)[C@@H](C)[S@](=O)c1ncc(C(C)(C)C)s1	160445561	WOAFRDNRUPYDLE-AYLIAGHASA-N	302.465	2.463	70	20	DEID	
O=C(N[C@H]1CCN(CC2CC2)C1)N1CCC[C@@H]1c1ccc[nH]1	160742068	HGOCJZAOKDJCHB-GOEBONIOSA-N	302.422	2.346	70	20	DEID	
COc1ccc(CCCC(=O)N[C@H]2CCC[C@@H]2O)c(OC)c1	160829882	QPJFXAJNGCMDMA-GJZGRUSLSA-N	307.390	2.056	70	20	DEID	
COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N(C)C[C@@H](C)O	159447052	LASZSBQOXLYWEL-GHMZBOCLSA-N	314.813	2.297	70	20	DEID	
Cc1cc(C)c(C(=O)N(C)CC(C)(C)CN2CCOCC2)o1	159892330	CFKRTRNWESBGQU-UHFFFAOYSA-N	308.422	2.327	70	20	DEID	
O=C1[C@H]2CCCCN2C(=O)N1Cc1noc(C2CCCCC2)n1	159515050	NWRXTZOQQMZKRP-GFCCVEGCSA-N	318.377	2.434	70	20	DEID	
C[C@H](C(=O)NCc1ccccc1Cl)N1CCC[C@@H](N(C)C)C1	217139959	QTIUCVPOJDHBHQ-UKRRQHHQSA-N	323.868	2.371	70	20	DEID	
C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Nc1cn[nH]c(=O)c1Cl	160243834	DQDTWUJPTJNRMX-RISCZKNCSA-N	318.808	2.356	70	20	DEID	
C/C(=C\c1ccccc1Cl)C(=O)NCCN1CCN(C)CC1	161141102	DICYLEZASLMELX-BUHFOSPRSA-N	321.852	2.107	70	20	DEID	
CCCn1c(C)nnc1Cn1nnnc1/C=C/c1ccccc1	161418897	GWGHFEQRGWXLIG-MDZDMXLPSA-N	309.377	2.202	70	20	DEID	
O=C(CCNC(=O)c1ccco1)N[C@@H]1CCOC2(CCCC2)C1	160182908	AAYUGSLQAQWFRY-CYBMUJFWSA-N	320.389	2.008	70	20	DEID	
O=C(/C=C/c1ccco1)NC1CCN([C@@H]2CCCC[C@@H]2O)CC1	160308916	RZMTUWABPYWGDK-PWHGLLLSSA-N	318.417	2.177	70	20	DEID	
CC(C)C(=O)NCCN(C)C(=O)Nc1cc(C(C)(C)C)on1	160448911	YCFXRWXZVBJSHK-UHFFFAOYSA-N	310.398	2.208	70	20	DEID	
C[C@H]1CN(C(=O)c2ccc3c(c2)CCC(=O)N3C)CC(C)(C)O1	160488112	TXQPBCJMCRQRTB-LBPRGKRZSA-N	316.401	2.235	70	20	DEID	
CCCNC(=O)c1cccc(CN[C@@H]2CCN(C)[C@H](C)C2)c1	160564417	RFNZBNDHBRBNBJ-RHSMWYFYSA-N	303.450	2.399	70	20	DEID	
CC(C)c1cc(-c2nc(CC(=O)NC3CCCC3)no2)no1	160874107	PXDOGLPARFGHQG-UHFFFAOYSA-N	304.350	2.449	70	20	DEID	
CC[C@](C)(CCO)NC(=O)NC[C@@H]1CCCCN1CC(C)C	160928689	KEOZRMVDOOUHCX-DOTOQJQBSA-N	313.486	2.347	70	20	DEID	
CC(C)(CO)CN[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1	160127276	WBYFQUDXXKVQOJ-STQMWFEESA-N	300.443	2.430	70	20	DEID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)[C@@H]1OC[C@@H]2CCC[C@@H]21	366026829	LGIJYYILSLKTLQ-TVYUQYBPSA-N	313.350	2.098	70	20	DEID	
CCCC(O)(CCC)CC(=O)NCCC(=O)Nc1ccncc1	161093907	LZACHXYYBCUYMI-UHFFFAOYSA-N	321.421	2.248	70	20	DEID	
CSCC[C@H](NC(N)=O)C(=O)NCC(C)(C)C1CCCC1	161096810	BOKUYOZAPFKCPA-LBPRGKRZSA-N	315.483	2.109	70	20	DEID	
CC(C)C(=O)Nc1ccc(C(=O)N[C@H]2CCC[C@@H](N)C2)cc1	161114793	QYYZYUVKEOKCMV-HIFRSBDPSA-N	303.406	2.281	70	20	DEID	
CCC[C@H](C)NC(=O)[C@H](C)N1CCC([C@H](O)C(F)(F)F)CC1	161278934	QSRXBRWLCOWYTD-GVXVVHGQSA-N	324.387	2.315	70	20	DEID	
Cc1ccn(-c2ccccc2NC(=O)COC[C@@H]2CCOC2)n1	161337846	IOOGWGGVNGUFMX-CQSZACIVSA-N	315.373	2.172	70	20	DEID	
CCCCN(C)c1ccc(NC(=O)NCC[C@H](O)COC)cc1	161509327	WEMWSXZUIMDNPC-INIZCTEOSA-N	323.437	2.442	70	20	DEID	
C[C@H]1C(=O)NCCN1CCOc1cc(Cl)cc(Cl)c1	160356127	ITIOSPLXPRJNEO-VIFPVBQESA-N	303.189	2.193	70	20	DEID	
CN(Cc1cccn1C)C(=O)c1cc(=O)[nH]c2cc(F)ccc12	160403884	NRFMXSMURBOYAY-UHFFFAOYSA-N	313.332	2.278	70	20	DEID	
COc1cc(NC(=O)C(=O)Nc2ccc(C(C)C)cc2)ncn1	160447441	FBVCDIQEWINCHJ-UHFFFAOYSA-N	314.345	2.186	70	20	DEID	
CC[C@@H](NCc1ccccc1CN1CCOCC1)[C@H]1CCOC1	160487248	OXUJYXDAYRIJPW-RBUKOAKNSA-N	318.461	2.424	70	20	DEID	
Cc1cc(C(=O)N[C@H](C)c2cccc(N3CCCC3=O)c2)ncn1	160633850	DCXYTRAHAVIUJA-CYBMUJFWSA-N	324.384	2.403	70	20	DEID	
CCCCN(C)C(=O)CSc1ncc(C(N)=O)cc1Cl	160704422	WIKHUGPLZAHTCQ-UHFFFAOYSA-N	315.826	2.185	70	20	DEID	
O=C(NC[C@H]1Cc2ccccc21)N1CCCN(CC(F)F)CC1	160828510	JYKQGFWDYXLUEN-CQSZACIVSA-N	323.387	2.309	70	20	DEID	
Cc1cccc(CNC(=O)CCCNC(=O)c2cccnc2)c1	160849984	IXZAQLRYSUHQKJ-UHFFFAOYSA-N	311.385	2.216	70	20	DEID	
C[C@H]1CCN(C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)C[C@@H]1O	160852256	KPLDJBDDNFGEES-ORQFMDKSSA-N	318.417	2.319	70	20	DEID	
CCCN(CC)c1ccc(C(=O)N[C@@H](CO)CC(C)C)cn1	160866064	UELDBCAFWKFNTE-OAHLLOKOSA-N	307.438	2.455	70	20	DEID	
Cc1noc(C)c1C[C@H](C)NS(=O)(=O)c1ccc(F)cc1	159828864	MHCODWAXYKFKKT-VIFPVBQESA-N	312.366	2.340	70	20	DEID	
COc1ccc(OCCCC(=O)N2CC[C@]3(CCNC3)C2)cc1	159387548	QLUXWLVCRSYZIL-SFHVURJKSA-N	318.417	2.066	70	20	DEID	
CC(C)C[C@@H](CCO)CNC(=O)N[C@@H]1CCO[C@H](C2CC2)C1	159787682	HZFFVZJMQUHJCT-BMFZPTHFSA-N	312.454	2.288	70	20	DEID	
O=C(CCn1ccccc1=O)N[C@H]1CCCc2sccc21	159994553	KARGMIFEXSQWTA-ZDUSSCGKSA-N	302.399	2.494	70	20	DEID	
Cc1ccc(NC(=O)[C@@H](C)OCC2CC2)cc1S(=O)(=O)F	857675726	YWDOJTCFIMJQNQ-SNVBAGLBSA-N	315.366	2.407	70	20	DEID	
O=C(Nc1ccc2c(c1)OCO2)c1cccc(S(=O)(=O)F)c1	1336920724	LEDSMGCAWHGRAY-UHFFFAOYSA-N	323.301	2.326	70	20	DEID	
CC(C)[C@H](CNC(=O)[C@H](C)c1cccs1)N1CCN(C)CC1	160054871	POSXZRSBNUCNIR-CABCVRRESA-N	323.506	2.240	70	20	DEID	
COCCn1c(C)c(C)c2cc(C(=O)N(C)[C@H](C)CO)ccc21	160369422	FOAOPBYAYVIYTI-GFCCVEGCSA-N	318.417	2.357	70	20	DEID	
CC[C@H](NC(=O)[C@H](C)Sc1nncn1C)c1c(C)noc1C	160402844	JNRKXUIMZGLTAF-QWRGUYRKSA-N	323.422	2.168	70	20	DEID	
C[C@]1(C(=O)N2CCC(CC(N)=O)CC2)CCCc2ccccc21	160476861	CHVVOOFXDBZYGM-IBGZPJMESA-N	314.429	2.395	70	20	DEID	
CCCC(O)(CCC)CC(=O)N[C@](C)(C(N)=O)c1ccccc1	159830573	VZRGYTRPCWFOOX-KRWDZBQOSA-N	320.433	2.225	70	20	DEID	
C[C@H](N)C(=O)NC[C@@H](C)Sc1ccc(Br)cc1	159653099	WBTTZYXPDCCOLA-BDAKNGLRSA-N	317.252	2.393	70	20	DEID	
Cc1cc(NC(=O)c2cc(N3CCNC3=O)ccc2F)ccn1	159924097	HTUNHEUXARPZLV-UHFFFAOYSA-N	314.320	2.311	70	20	DEID	
Cc1csc(CNC(=O)CCCc2nc(C3CC3)no2)n1	159381782	KWBUABDDITWWAX-UHFFFAOYSA-N	306.391	2.351	70	20	DEID	
C[C@H]1C[C@H](C(=O)Nc2ccc(S(=O)(=O)F)cc2)CCO1	274983475	QDSPVMVZWYVTRD-VHSXEESVSA-N	301.339	2.098	70	20	DEID	
CO[C@H]1CCC[C@@H](C(=O)Nc2ccc(S(=O)(=O)F)cc2)C1	460087552	AUNUXVBMTXSENV-PWSUYJOCSA-N	315.366	2.489	70	20	DEID	
CCO[C@H](CC)C(=O)Nc1ccc(C)c(S(=O)(=O)F)c1	857675563	RZIPGWNUBWQDKX-LLVKDONJSA-N	303.355	2.407	70	20	DEID	
C[C@]1(c2ccccc2)C[C@@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1263717411	FHCIVGUSEIFJCF-DZGCQCFKSA-N	322.361	2.133	70	20	DEID	
CC[C@H](C)NC(=O)CCNC(=O)c1cc(F)cc2cccnc12	161012762	DXQMLHAOUWEJAF-NSHDSACASA-N	317.364	2.409	70	20	DEID	
CC[C@@H](C(=O)N[C@H](C)CCS(C)(=O)=O)c1ccc(F)cc1	161144664	UGNRVRZMNWDHPF-BXUZGUMPSA-N	315.410	2.259	70	20	DEID	
Cc1ccc(NC(=O)CN2CCN(Cc3ccncc3)CC2)cc1	161145552	OQXXLOHKYDOMLD-UHFFFAOYSA-N	324.428	2.146	70	20	DEID	
CC(=O)NC1CCC(NC[C@@H](c2ccc(F)cc2)N(C)C)CC1	161320540	BXCKWAJNFJLAQR-ABHNRTSZSA-N	321.440	2.465	70	20	DEID	
C[C@@H]1CC[C@@H](C)N1C(=O)Cn1cc(Br)ccc1=O	161458735	AVZOKSFJNQQCEA-NXEZZACHSA-N	313.195	2.010	70	20	DEID	
CC(C)CCOCCNC(=O)Cn1nc(C2CC2)nc1C1CC1	161505507	SEYOHAMUZPTJLF-UHFFFAOYSA-N	320.437	2.212	70	20	DEID	
CN(CCCc1nc(-c2cccs2)no1)[C@H](CN)C1CC1	160061494	FKWIVIWYIAGBOJ-GFCCVEGCSA-N	306.435	2.400	70	20	DEID	
CN(Cc1ccsc1)C(=O)CCCNC(=O)c1cccnc1	160179438	XTYUFYZBPGTWNF-UHFFFAOYSA-N	317.414	2.312	70	20	DEID	
CCc1nn(C)c(CC)c1CNC(=O)NC1C[C@H](C)O[C@@H](C)C1	160262479	PCINFILZBNZOTM-RYUDHWBXSA-N	322.453	2.300	70	20	DEID	
O=C(NC[C@@H](O)CN1CCCCC1)c1c(F)cccc1Cl	160272878	ODIOKGVCVVIQPK-LLVKDONJSA-N	314.788	2.056	70	20	DEID	
C[C@@H]1CN(C(=O)c2ccc3c(c2)CCC(=O)N3C)CC(C)(C)O1	160487993	TXQPBCJMCRQRTB-GFCCVEGCSA-N	316.401	2.235	70	20	DEID	
CC(=O)Nc1cc(S(=O)(=O)Nc2[nH]nc(C)c2C)ccc1C	160493095	SJLSDYFWIDDPCU-UHFFFAOYSA-N	322.390	2.094	70	20	DEID	
COC(=O)c1csc(NC(=O)N2CC[C@@H](N3CC=CC3)C2)c1	160646511	YATAALKQQQJSKD-GFCCVEGCSA-N	321.402	2.013	70	20	DEID	
O=C(C[C@@H]1CCCN1)NC[C@@H](O)c1c(Cl)cccc1Cl	160686021	VVJGPPMIWLBPAF-JOYOIKCWSA-N	317.216	2.285	70	20	DEID	
CCN(Cc1cnn(CC)c1)Cc1nc2ccccc2c(=O)[nH]1	159884051	IMSQIDJYQWXGKF-UHFFFAOYSA-N	311.389	2.162	70	20	DEID	
C[C@@H](NC(=O)N1CCC[C@](C)(O)C1)c1nc2ccccc2[nH]1	159912472	XZZLBPXCXSEIGB-BZNIZROVSA-N	302.378	2.180	70	20	DEID	
O=C1[C@H]2CCC[C@H]1CC(C(=O)N1CCC(NCC3CC3)CC1)C2	159754395	VYRWGGXBKQPYEN-GJZGRUSLSA-N	318.461	2.372	70	20	DEID	
CCCC[C@@H](COC)NC(=O)c1cccc(S(=O)(=O)F)c1	1340088416	NYZDZVRBAXVABI-LBPRGKRZSA-N	317.382	2.280	70	20	DEID	
CCC(=O)CCCOC(=O)c1ccc(S(=O)(=O)F)cc1	490538169	XLTZHMDTJMFDGS-UHFFFAOYSA-N	302.323	2.261	70	20	DEID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N[C@@H](C#N)C(C)(C)C	1337368493	GTUZBHHHGXNLHC-LBPRGKRZSA-N	312.366	2.321	70	20	DEID	
CCO[C@@H]1CCCN(C(=O)c2ccc(C(=O)NC3CC3)cc2)C1	161099017	REPDFKJTLDTBOB-MRXNPFEDSA-N	316.401	2.220	70	20	DEID	
C[C@H]1C(=O)NCCN1C(=O)CCCCCO[C@@H]1CCC[C@@H](C)C1	161230434	ABJDDEYWHRHQGU-OWCLPIDISA-N	324.465	2.489	70	20	DEID	
Cc1nn(-c2ccccc2)c2sc(C(=O)NCCCN)cc12	160044095	RLISUWSMQYMPLW-UHFFFAOYSA-N	314.414	2.474	70	20	DEID	
C[C@@H](c1cnn(C)c1)N(C)C(=O)c1cnc(C(F)(F)F)nc1	160087117	LMBWOSIOBILRGB-QMMMGPOBSA-N	313.283	2.062	70	20	DEID	
CCC[C@@H]1CN(C(=O)NC(C2CC2)C2CC2)CCN1CCOC	160100833	FTHHWCQVIQJQLC-MRXNPFEDSA-N	323.481	2.317	70	20	DEID	
CCN(CCNC(=O)c1cc2c([nH]c1=O)CCCCC2)C(C)C	160175620	XWACWNMEYLJGKL-UHFFFAOYSA-N	319.449	2.104	70	20	DEID	
CCOC(=O)[C@H]1CCCN(C(=O)CN(C)CCC2CCCC2)C1	160228098	GLJVVCCGTJDMLI-INIZCTEOSA-N	324.465	2.300	70	20	DEID	
CC[C@H](CCO)NC(=O)NCC(C)(C)c1cccc(OC)c1	160278887	LXLIBQXEQHTMML-CQSZACIVSA-N	308.422	2.433	70	20	DEID	
CO[C@@H]1CCC[C@H]1NC(=O)N1CCC(C2CCOCC2)CC1	160311823	LSVLIFVASHLLHW-HZPDHXFCSA-N	310.438	2.402	70	20	DEID	
CNC(=O)[C@H](C)CN(C)C(=O)C[C@H](C)c1ccc(F)cc1F	160411084	UZZHAPXLUVCRSZ-WDEREUQCSA-N	312.360	2.299	70	20	DEID	
Fc1ccc2oc(N3CCC[C@@H]3CN3CCOCC3)nc2c1	160420717	IWQLUVGQJVREKA-CYBMUJFWSA-N	305.353	2.268	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)CCC(=O)c1ccc(C)s1	160772449	HSPQTJVVAAXXLQ-SNVBAGLBSA-N	311.403	2.477	70	20	DEID	
O=C(NCCn1ccnc1)N1CCc2c(Cl)cccc2C1	160784747	LHNBTCKAWGLEFQ-UHFFFAOYSA-N	304.781	2.304	70	20	DEID	
Cc1ccc(C)c(-n2ncc(C(=O)NCC3(CO)CC3)c2C)c1	160788898	GSMBDNHLFBDUFF-UHFFFAOYSA-N	313.401	2.300	70	20	DEID	
C[C@H]1C[C@@H](NCc2ccccc2CS(C)(=O)=O)[C@H](C)CN1C	160940801	RVVLLKFOQNRURP-JKIFEVAISA-N	324.490	2.050	70	20	DEID	
Cc1ccc(C(C)C)c(OCC(=O)N(CC(N)=O)CC(C)C)c1	159812123	PAVRNXOLZQJVLC-UHFFFAOYSA-N	320.433	2.467	70	20	DEID	
CN(CCc1nccs1)S(=O)(=O)C1Cc2ccccc2C1	159651606	IRAREAKXBQAJSZ-UHFFFAOYSA-N	322.455	2.115	70	20	DEID	
C[C@@H](CNC(=O)NCC1CCC(C)(C)CC1)N1CCOCC1	159659850	PRYQHMAZPVWFHJ-AWEZNQCLSA-N	311.470	2.223	70	20	DEID	
CN(CC(=O)Nc1ccnn1C1CCCC1)C[C@H]1CCC[C@@H]1O	159547437	VTQGJSBXRLTMKI-HIFRSBDPSA-N	320.437	2.030	70	20	DEID	
NCc1ccc(CNC(=O)COc2cccc(Cl)c2)cc1	159566530	QRKYRFKKGJZRMC-UHFFFAOYSA-N	304.777	2.494	70	20	DEID	
Cc1nn(C)c(=O)c(C(=O)NC2CCC(C(C)C)CC2)c1C	159380730	JLNIUDBJEWEKGV-UHFFFAOYSA-N	305.422	2.342	70	20	DEID	
CC(C)(CNC(=O)C(=O)Nc1cccnc1)c1ccccc1F	159572441	DEERNVZFIBDENH-UHFFFAOYSA-N	315.348	2.253	70	20	DEID	
CC1(C)CCCN(C(=O)c2cccc(S(=O)(=O)F)c2)[C@H]1C#N	1121186855	UPBUAUPRFKHXIL-ZDUSSCGKSA-N	324.377	2.499	70	20	DEID	
C[C@]1(CNC(=O)c2cccc(S(=O)(=O)F)c2)CCCS1	1354469666	PWBIICLJJGJKBY-CYBMUJFWSA-N	317.407	2.360	70	20	DEID	
CCCCCOc1ccc(S(=O)(=O)N(C)[C@H](C)CO)cc1	161309848	LWBFGTDXIABRBH-CYBMUJFWSA-N	315.435	2.257	70	20	DEID	
Cc1ccc(NC(=O)N[C@@H]2CCN(c3ncccc3F)C2)cn1	161313851	MUTFTNFXOIBXCI-CYBMUJFWSA-N	315.352	2.325	70	20	DEID	
CC(=O)Nc1cccc([C@@H](C)NC(=O)N2CCC[C@@](C)(O)C2)c1	160184725	UZRTZUADTWFMPQ-SJKOYZFVSA-N	319.405	2.262	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)c1ccc(Cn2cccn2)cc1	160244824	PYRGYWOQWWCKST-CYBMUJFWSA-N	315.373	2.003	70	20	DEID	
CN(C)c1ncnc2c1ncn2CC(=O)CCC1CCCC1	160367698	QBWPYZWBSUQKJF-UHFFFAOYSA-N	301.394	2.432	70	20	DEID	
CC(C)[C@@H](CCO)NC(=O)c1cccc(NC(=O)NC2CC2)c1	160508756	QRJVVKMYQYGXPN-OAHLLOKOSA-N	319.405	2.107	70	20	DEID	
COc1ccc([C@H](C)CCNC(=O)C2(OC)CCNCC2)cc1	160555218	KJOPRCVOIXCEON-CQSZACIVSA-N	320.433	2.074	70	20	DEID	
CCC(CC)(CO)CNC(=O)Nc1ccc(C(=O)OC)cc1	160735507	GKQBRLSWHIHKMP-UHFFFAOYSA-N	308.378	2.393	70	20	DEID	
Cc1ccc(OCC(=O)NCC(=O)NC(C)(C)C)c(Cl)c1	160898066	AAKAKQDEXZCTLW-UHFFFAOYSA-N	312.797	2.058	70	20	DEID	
CC(C)[C@H](NC(=O)c1ccco1)C(=O)Nc1cccc(F)n1	160919574	LKLULWBPDYYCMD-ZDUSSCGKSA-N	305.309	2.207	70	20	DEID	
COC[C@@H](O)CCNC(=O)c1ccc(OCCC(C)C)cc1	160983205	SDUDECYJBFACMA-HNNXBMFYSA-N	309.406	2.239	70	20	DEID	
CCOc1cccc(CNC(=O)N2CCCN(CC)CC2)c1	159605343	OESHBUOWPJUZRS-UHFFFAOYSA-N	305.422	2.323	70	20	DEID	
C[C@H]1CN(CCCNC(=O)N2CCC3(CCC3)C2)C[C@H](C)O1	159808547	WWMIPMJAXBPDTI-GJZGRUSLSA-N	309.454	2.071	70	20	DEID	
CCCCN(C)S(=O)(=O)c1c(C)[nH]c(C(=O)OCC)c1C	159469710	BZZUIEBTDUMTFW-UHFFFAOYSA-N	316.423	2.229	70	20	DEID	
Cc1cccc(C)c1NC(=O)NCC1CCS(=O)(=O)CC1	159484794	AYCIJEPTQGOBIT-UHFFFAOYSA-N	310.419	2.250	70	20	DEID	
O=C(N[C@@H]1CCO[C@H](C2CC2)C1)N[C@H](CCO)c1ccccc1	159739227	VTUPJDHYBXRINI-ZACQAIPSSA-N	318.417	2.367	70	20	DEID	
C[C@@H]1CN(C(=O)c2cccc(NC(=O)N(C)C)c2)[C@H](C)CO1	159573082	PBNRRCYJWRIMPD-VXGBXAGGSA-N	305.378	2.030	70	20	DEID	
COc1ncc(C)cc1NC(=O)c1ccc(S(=O)(=O)F)cc1	864239309	GWGFYBGXCKPZMI-UHFFFAOYSA-N	324.333	2.309	70	20	DEID	
CCOC[C@H]1CCN(C(=O)Nc2cc(C(=O)OC)cs2)C1	161141848	RCXOBYUJMRLMRA-JTQLQIEISA-N	312.391	2.425	70	20	DEID	
Cc1nc2ncnn2c(C)c1CCC(=O)N1[C@@H](C)CC[C@H]1C	161423834	SUDHQLVNDMYQEI-PHIMTYICSA-N	301.394	2.073	70	20	DEID	
CCn1nccc1CNCc1ccc(OCCN(C)C)cc1	160031259	INNAGMBFLIWNGU-UHFFFAOYSA-N	302.422	2.133	70	20	DEID	
O=C(Cc1ccsc1)NC1CCN([C@@H]2CCCC[C@H]2O)CC1	160303393	GYUNDYDWZWUTJC-HZPDHXFCSA-N	322.474	2.175	70	20	DEID	
COc1ccc(-c2cc(C(=O)N[C@@H](C)[C@@H]3CCOC3)[nH]n2)cc1	160379967	QKRXHCBJJMETKJ-WCQYABFASA-N	315.373	2.240	70	20	DEID	
CNC(=O)[C@H](C)CN(C)C(=O)C[C@@H](C)c1ccc(F)cc1F	160411201	UZZHAPXLUVCRSZ-GHMZBOCLSA-N	312.360	2.299	70	20	DEID	
CCOC(=O)CCN(C)[C@@H](C)c1ccc(-n2cncn2)cc1	160707834	KAMFZXFDNJKCEF-ZDUSSCGKSA-N	302.378	2.213	70	20	DEID	
C[C@]1(C(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)CCNC1	160832514	NBBOPQNUWMRWEH-JSGCOSHPSA-N	300.324	2.276	70	20	DEID	
COCCOc1ccc(NC(=O)[C@@H]2CCn3ccnc3C2)cc1	159834995	WGPWZWNGBFMVIX-CYBMUJFWSA-N	315.373	2.109	70	20	DEID	
CCOCCCN1CCC(C(=O)Nc2ccc(C)cn2)CC1	159525757	DHXPBRFQGOSICL-UHFFFAOYSA-N	305.422	2.467	70	20	DEID	
CC(C)CN(CC(N)=O)C(=O)c1csc2c1CC[C@H](C)C2	159743260	RVYXUKJRSFFEHS-NSHDSACASA-N	308.447	2.456	70	20	DEID	
C[C@H](Cc1ccc(O)cc1)NC(=O)c1cnc2c(c1)ncn2C	159981461	AKWVDXLCWRKJDP-LLVKDONJSA-N	310.357	2.035	70	20	DEID	
CCOC[C@@H](O)CN1CCO[C@@H](c2ccc(F)c(Cl)c2)C1	217183600	BAHHKOVOSFIVRZ-SWLSCSKDSA-N	317.788	2.250	70	20	DEID	
COCC1(C(=O)Nc2ccc(S(=O)(=O)F)c(F)c2)CCC1	857673041	SGSSIICFCLOYOA-UHFFFAOYSA-N	319.329	2.239	70	20	DEID	
COCCCCCOC(=O)c1cccc(S(=O)(=O)F)c1	1119615231	SGNUAGWUMYNTDV-UHFFFAOYSA-N	304.339	2.318	70	20	DEID	
C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cc(S(=O)(=O)F)c[nH]1	1348695323	AXGHJJYFEDCQAN-GBIKHYSHSA-N	314.382	2.466	70	20	DEID	
CC1(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCCCC1	1521437367	GIPRQAZSPGVUHL-UHFFFAOYSA-N	302.371	2.373	70	20	DEID	
CC[C@@H](C)NC(=O)CCNC(=O)c1cc(F)cc2cccnc12	161012647	DXQMLHAOUWEJAF-LLVKDONJSA-N	317.364	2.409	70	20	DEID	
CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)C2(CCOC)CC2)C1	161133851	ABFIBTAIBYASOL-LSDHHAIUSA-N	324.465	2.347	70	20	DEID	
COc1ccc(Cl)cc1CS(=O)(=O)Cc1nccn1C	161170809	CZPJPJVLJPBNPC-UHFFFAOYSA-N	314.794	2.197	70	20	DEID	
CN(C)C1CCN(CCN[C@@H]2CCc3cc(F)ccc32)CC1	160154176	AAWLPBPOWDRESS-GOSISDBHSA-N	305.441	2.429	70	20	DEID	
C[C@@H]1CN(C(=O)NCCn2ccnc2)C[C@@H](c2ccsc2)O1	160188584	MTPCPIGTNXNZFD-OCCSQVGLSA-N	320.418	2.116	70	20	DEID	
O=C(NCC1(CO)CCCC1)c1cc(Cl)c2c(c1)OCO2	160269875	QKWSOVNLHRXZOL-UHFFFAOYSA-N	311.765	2.351	70	20	DEID	
CNC(=O)c1ccc(NC(=O)c2cccnc2OC)c(Cl)c1	160315721	CIWRZTUQIASENL-UHFFFAOYSA-N	319.748	2.356	70	20	DEID	
O=C(COC[C@@H]1CCOC1)N[C@@H]1CCOC2(CCCCC2)C1	160445662	LFYASYZDKVKWDS-HUUCEWRRSA-N	311.422	2.038	70	20	DEID	
CN[C@@H]1CCN(C(=O)c2nn(-c3ccc(C)cc3)c3c2CCC3)C1	160479555	HVLGFACBYDTUPV-CQSZACIVSA-N	324.428	2.103	70	20	DEID	
O=C1CC[C@H]2CN(C(=O)c3cccc(F)c3Cl)CC[C@H]2N1	160663467	QMEMTWOOQGMYFJ-JOYOIKCWSA-N	310.756	2.220	70	20	DEID	
CC[C@@H](C)c1cc(C(=O)NCc2nnc3n2CCCC3)on1	160895423	PJXNXMUHSVLHIC-SNVBAGLBSA-N	303.366	2.046	70	20	DEID	
CC(C)(C)c1nnc(NC(=O)C2(O)CCSCC2)s1	160914310	RDPCDYLNMDFSLL-UHFFFAOYSA-N	301.437	2.032	70	20	DEID	
CC[C@H]1CCCC[C@@H]1NC(=O)N(C)Cc1nc(CCOC)no1	160958603	SXPYKDIVSGHSKO-STQMWFEESA-N	324.425	2.369	70	20	DEID	
N[C@H](Cc1ccccc1)C(=O)NCCCc1cccc(F)c1	159451822	VQTPQUMYMRGTOQ-QGZVFWFLSA-N	300.377	2.445	70	20	DEID	
C[C@@H]1C[C@@H](C)CN(CCCNC(=O)[C@H](O)c2ccccc2)C1	159667519	GDNDWSDXFIWWLD-BFYDXBDKSA-N	304.434	2.204	70	20	DEID	
C[C@H]1CCN(C(=O)Nc2ccccc2OCCC(N)=O)C[C@H]1C	159500366	XCOBQEYPCDXIGA-QWHCGFSZSA-N	319.405	2.451	70	20	DEID	
CCOC(=O)Nc1ccc(NC(=O)c2cccc(=O)n2C)cc1	159517882	CBNJIWISDQOSSJ-UHFFFAOYSA-N	315.329	2.206	70	20	DEID	
CCCOc1ncccc1CNC(=O)N1CCCN(CC)CC1	159759011	DGWXYZCIFJXJGU-UHFFFAOYSA-N	320.437	2.108	70	20	DEID	
CN(C1CCCCC1)S(=O)(=O)NC[C@H](O)C1CCCCC1	159560748	OMPGQEYVDSDVOZ-HNNXBMFYSA-N	318.483	2.027	70	20	DEID	
COC(=O)[C@@]1(F)CCN(C(=O)CCc2ccc(F)cc2F)C1	159767921	XEYDAWRUVVMFBU-OAHLLOKOSA-N	315.291	2.011	70	20	DEID	
CCc1nnc(NC(=O)N(C)[C@H]2CCCc3c2cnn3C)s1	159772203	RVQABMQJKZVFMP-JTQLQIEISA-N	320.422	2.375	70	20	DEID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)c1ccc2cncn2c1	460093808	OYFFOIHTZGHHOS-UHFFFAOYSA-N	319.317	2.245	70	20	DEID	
O=C(NC[C@H]1CCCCS1)c1cccc(S(=O)(=O)F)c1	1338260108	KAGADBZTSFXOJJ-LLVKDONJSA-N	317.407	2.360	70	20	DEID	
CN(C)[C@@H]1C[C@@H](Nc2ccc(S(=O)(=O)F)cn2)C12CCC2	1550631205	NYIJZWKQQWLXQF-VXGBXAGGSA-N	313.398	2.025	70	20	DEID	
CC(C)N(CCS[C@@H]1CCN(c2cnn(C)c2)C1=O)C(C)C	161077699	JKAGQJVBHOYOQX-OAHLLOKOSA-N	324.494	2.377	70	20	DEID	
COc1ccc(NC(=O)CCc2c(C)nn(C)c2C)cc1N	161210778	IDELEDYWCANUIL-UHFFFAOYSA-N	302.378	2.199	70	20	DEID	
COCc1ccc([C@H]2CCCN2C(=O)CCN2CCCC2=O)o1	161229150	XATZUKNKOROKBV-CQSZACIVSA-N	320.389	2.102	70	20	DEID	
CCN(C(=O)CSCCN1CCOCC1)c1ccccc1	160009729	IGTYWDAMDJENBQ-UHFFFAOYSA-N	308.447	2.105	70	20	DEID	
CCc1c(Cl)nc(C)nc1N1CCC(n2ccnn2)CC1	160220251	YRHIJRAUMDZZJQ-UHFFFAOYSA-N	306.801	2.434	70	20	DEID	
CCCCOc1ncccc1CNC(=O)c1cc(C)ncn1	160222636	JVQRCAWFNHQMPD-UHFFFAOYSA-N	300.362	2.289	70	20	DEID	
C[C@]1(CNC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)CCCC[C@@H]1O	160370483	FPZSGGYAAGWKPL-WBTNSWJXSA-N	310.438	2.184	70	20	DEID	
CC[C@H]1CN(C(=O)Nc2ccn(CC(F)(F)F)n2)C[C@@H](C)O1	160704987	PZDJHRPIJWMWLO-ZJUUUORDSA-N	320.315	2.477	70	20	DEID	
Cc1c(/C=C/C(=O)NC[C@@]2(N(C)C)CCC[C@H](C)C2)cnn1C	160779842	GXIWOKAMTOSESL-MFUPGOHSSA-N	318.465	2.368	70	20	DEID	
O=C(CC1CCCC1)NCC(=O)N[C@H]1CCOC2(CCCC2)C1	159617161	ZRQLJAAPGZERGF-HNNXBMFYSA-N	322.449	2.291	70	20	DEID	
CCN1CCCN(C(=O)NCCCCN2CCC[C@H](C)C2)CC1	159638978	QGRUWWGPQRGYSR-KRWDZBQOSA-N	324.513	2.236	70	20	DEID	
CCC(CC)(CNCC(=O)N[C@@H](C)c1ccccc1)C(=O)OC	159650376	SCLSZNJIWPDYPE-AWEZNQCLSA-N	320.433	2.433	70	20	DEID	
O=S1(=O)NC(CSc2ccncc2)=Nc2ccccc21	159876455	BBJIIWUMKQMCHQ-UHFFFAOYSA-N	305.384	2.196	70	20	DEID	
CC(C)(C)C[C@H](CO)NC(=O)Nc1cccc(-n2ccnn2)c1	159494982	FVKHIGQSIWCLMT-CYBMUJFWSA-N	317.393	2.186	70	20	DEID	
O=C(C[C@H]1CCCN1)N1CCC(C(F)(F)F)(C(F)(F)F)C1	159499186	HSWZMMAAMFHVOH-MRVPVSSYSA-N	318.261	2.472	70	20	DEID	
CCS(=O)(=O)C[C@H](C)NC(=O)N1CCC2(CCCC2)CC1	159919219	KLJWKFJDWAZLFZ-ZDUSSCGKSA-N	316.467	2.175	70	20	DEID	
O=C(NS(=O)(=O)Cl)Oc1cccc(Br)c1	100634765	DVGMRWVIRFFXJH-UHFFFAOYSA-N	314.544	2.021	70	20	DEID	
COc1ccc(CCNC(=O)N2CCCC[C@H]2CCO)cc1	217518406	YSVSRTMWFXVSLD-HNNXBMFYSA-N	306.406	2.184	70	20	DEID	
C[C@@]1(C(=O)Nc2ccc(S(=O)(=O)F)cc2)CCCOC1	275000923	UMKSIKXRKUVVMR-CYBMUJFWSA-N	301.339	2.100	70	20	DEID	
CN(C)c1cccc(NC(=O)c2ccc(S(=O)(=O)F)cc2)n1	864241196	NAUBTRVHFDEVSS-UHFFFAOYSA-N	323.349	2.058	70	20	DEID	
C[C@@H]1C[C@H]1CNc1ccc([N+](=O)[O-])cc1CS(=O)(=O)F	881807833	FYYCELFXKHYBRS-BDAKNGLRSA-N	302.327	2.462	70	20	DEID	
C[C@H]1CC[C@@H](C)N1C(=O)c1cc(N2CCNC2=O)ccc1F	161508298	MNSSLQGOYPBXPY-PHIMTYICSA-N	305.353	2.368	70	20	DEID	
CCOC(=O)C1(C(=O)NCCCNc2ccc(C)cn2)CCC1	160305464	ZMNDENNFBUUCKC-UHFFFAOYSA-N	319.405	2.042	70	20	DEID	
Cc1c(CNC(=O)N[C@@H]2CCc3cc(F)ccc32)cnn1C	160534087	FZOVSTNMJMHUOD-OAHLLOKOSA-N	302.353	2.354	70	20	DEID	
CCC(CC)n1nccc1C(=O)N1CCC(C(=O)OC)CC1	160649012	PRJDYLPEUUKHBR-UHFFFAOYSA-N	307.394	2.269	70	20	DEID	
CN1CCC(C(=O)NCCc2csc(C(C)(C)C)n2)CC1	160777473	RZQIWYJAEQPDCH-UHFFFAOYSA-N	309.479	2.441	70	20	DEID	
CN[C@H]1CCN(C(=O)Cc2csc(-c3cccc(C)c3)n2)C1	160785754	ICIWSXOVGQNAMD-AWEZNQCLSA-N	315.442	2.481	70	20	DEID	
C[C@@H](CC(=O)c1cccs1)NC(=O)[C@@H](C)NC(=O)C(C)(C)C	160880462	NGZNGMATCZUJBY-WDEREUQCSA-N	324.446	2.376	70	20	DEID	
CCN(CC)C(=O)CN(C)C(=O)[C@H]1C[C@@H]1c1sccc1C	159857168	JFFGVWXAGDYMAO-STQMWFEESA-N	308.447	2.487	70	20	DEID	
C[C@H]1CN(C(=O)Nc2ccnn2C[C@@H]2CCOC2)C[C@@H](C)S1	159674067	AMJDZTPFBABJSO-XQQFMLRXSA-N	324.450	2.277	70	20	DEID	
CCOc1ccccc1CNC(=O)N1CCCN(CC)CC1	159732239	FHMNZPCXCPLDSN-UHFFFAOYSA-N	305.422	2.323	70	20	DEID	
COc1cc(C)cc(CNC(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)c1	159997983	FFYRFSPSARQTKT-ZFWWWQNUSA-N	317.433	2.428	70	20	DEID	
NC[C@@H]1CCCN1C(=O)COc1cc(Cl)ccc1Cl	160131375	XPSHKNJFZPVRMH-JTQLQIEISA-N	303.189	2.322	70	20	DEID	
COC(=O)c1oc(Cn2ccc3ccn(C)c3c2=O)cc1C	217137577	SRLDKIYPXJFNHE-UHFFFAOYSA-N	300.314	2.076	70	20	DEID	
Cc1ccc(NS(=O)(=O)CCC2CC2)cc1S(=O)(=O)F	853043489	UGKZHFAHRMEMLQ-UHFFFAOYSA-N	321.395	2.195	70	20	DEID	
CSCCCCCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1338918394	KPNUTIUYNOHBDO-UHFFFAOYSA-N	322.427	2.326	70	20	DEID	
CSCC[C@@H](N)C(=O)NCc1ccccc1OC1CCC1	161200241	JFKOTITYVSOQCG-CQSZACIVSA-N	308.447	2.315	70	20	DEID	
CCc1nccn1[C@H]1CCCN(Cc2nsc(N(C)C)n2)C1	160003363	FYCHJULKNOTODC-LBPRGKRZSA-N	320.466	2.200	70	20	DEID	
O=C(NCc1ccc(O)c(F)c1)N[C@@H]1CCN(C2CCCC2)C1	160871321	ZDKRDFHHQWCVNQ-CYBMUJFWSA-N	321.396	2.347	70	20	DEID	
COC[C@@H](C)NC(=O)c1ccc(NC(=O)N(C)C)cc1Cl	159611045	QEOVXUBPEHERCL-SECBINFHSA-N	313.785	2.198	70	20	DEID	
COC(=O)CCCC(=O)Nc1cccnc1OCC(F)F	159628178	WRUUXDCUHSTAHW-UHFFFAOYSA-N	302.277	2.007	70	20	DEID	
CN(C)[C@H](CNC(=O)c1cnc2c(c1)ncn2C)c1ccccc1	159674885	BNMGNSUJOBMFEY-MRXNPFEDSA-N	323.400	2.001	70	20	DEID	
CC(C)C(=O)N1CCCN(C(=O)C[C@H](C)c2ccncc2)CC1	159913630	SMHASGQCGVZOJM-HNNXBMFYSA-N	317.433	2.292	70	20	DEID	
Cc1ccc(-c2cc(C(=O)N(CC(N)=O)CC(C)C)on2)cc1	159726526	XYVMFNCKSSVYTF-UHFFFAOYSA-N	315.373	2.234	70	20	DEID	
COc1cccnc1N(C)S(=O)(=O)c1ccc(F)cc1F	159566439	IIYZEYYMKWGJDX-UHFFFAOYSA-N	314.313	2.194	70	20	DEID	
CC(C)(C(N)=O)c1ccc(NC(=O)N2C[C@H]3CC[C@H]2C3)cc1	159997843	PHBGCZPCTPNREV-FZMZJTMJSA-N	301.390	2.466	70	20	DEID	
Cn1ncc(C2CCC2)c1CNc1ccc(S(=O)(=O)F)cn1	1550625616	BIPYFOMIGFUERR-UHFFFAOYSA-N	324.381	2.353	70	20	DEID	
CC[C@](C)(CCO)NC(=O)Nc1ccc(-c2ncn(C)n2)cc1	161092476	MLEFVRVPDYUZFF-MRXNPFEDSA-N	317.393	2.155	70	20	DEID	
COC[C@@H](O)CCNC(=O)[C@H](C)Sc1ccccc1Cl	161230552	JOFIJXQVAVVWJS-QWRGUYRKSA-N	317.838	2.334	70	20	DEID	
COCC(C)(C)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1	161267582	VRODTCNVNQFXLA-UHFFFAOYSA-N	315.377	2.286	70	20	DEID	
CC[C@@H](NC(=O)[C@@H]1CCCN(C(C)=O)C1)c1c(C)noc1C	160056346	NRZXTPSQCREEEC-ZIAGYGMSSA-N	307.394	2.117	70	20	DEID	
O=C(N[C@@H]1CCN(CC2CC2)C1)N(Cc1cccnc1)C1CC1	160709347	LENIBWUIUZQPKF-MRXNPFEDSA-N	314.433	2.240	70	20	DEID	
CC[C@H](C)c1cc(C(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)on1	159426838	UEDRGUWVYSVBPO-BFHYXJOUSA-N	323.437	2.417	70	20	DEID	
CC(=O)N1CC[C@@H](NC(=O)c2sc(C)nc2CC(C)C)C1	159663246	ZMYQCJUSUOMZOM-GFCCVEGCSA-N	309.435	2.001	70	20	DEID	
CCCCn1ncc(NC(=O)NCCC(=O)NCCC)c1C	159734533	ZBSWFJKNXWSTTG-UHFFFAOYSA-N	309.414	2.029	70	20	DEID	
CCCCNC(=O)[C@H](C)N1CCO[C@]2(CCc3ccccc32)C1	159584496	BLLJYDQSUINPQS-HNAYVOBHSA-N	316.445	2.465	70	20	DEID	
CN([C@@H](CN)C1CC1)S(=O)(=O)c1cc(Cl)cc(Cl)c1	159955925	KBZHXWYUGAOUEK-LBPRGKRZSA-N	323.245	2.351	70	20	DEID	
CN(C[C@@H]1CCC[C@H]1O)C(=O)NC[C@@H]1CCOc2ccccc21	161016477	ZNEPAQHXXTWDMJ-OFQRWUPVSA-N	318.417	2.355	70	20	DEID	
CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)CO[C@@H](C)CC)C1	161067402	OGIIKELATNBMLR-QLFBSQMISA-N	312.454	2.345	70	20	DEID	
CCC[C@@H](CCO)CNC(=O)CCn1cnc2ccccc21	161162167	LATSIYZHXJGABC-AWEZNQCLSA-N	303.406	2.341	70	20	DEID	
CCc1n[nH]c(-c2ccccc2NC(=O)c2cnsn2)n1	161257179	MGRGHRIWCBHXCN-UHFFFAOYSA-N	300.347	2.138	70	20	DEID	
Cc1cnccc1CCNC(=O)NCc1ccc(O)c(F)c1	161439829	WGGFGFYQCKHMOM-UHFFFAOYSA-N	303.337	2.277	70	20	DEID	
CC[S@@](=O)c1ccccc1C(=O)NCCc1cccc(O)c1	160214912	XQXAYMFVVDIVQR-QFIPXVFZSA-N	317.410	2.492	70	20	DEID	
C[C@@H](CC(=O)NCC1CCN(CCO)CC1)c1ccc(F)cc1	160724853	DPLBCNUBVRQOSH-AWEZNQCLSA-N	322.424	2.140	70	20	DEID	
C[C@H]1[C@@H](C)OCCN1C(=O)NCc1ccc(N2CCCC2)nc1	159541897	HDFMGZVIEJTTNK-UONOGXRCSA-N	318.421	2.001	70	20	DEID	
COc1ccc(NC(=O)N[C@@H]2CCN(c3ccccn3)C2)cc1	159776225	JVRSERTWJMTSEJ-CQSZACIVSA-N	312.373	2.491	70	20	DEID	
O=C(Nc1cccc(S(=O)(=O)F)c1)c1cnc2n1CCCC2	460090226	GVVKSOWRWXFHAD-UHFFFAOYSA-N	323.349	2.130	70	20	DEID	
CCn1ncc(C)c1NC(=O)c1ccc(S(=O)(=O)F)cc1	864243788	WPPOYIBNLULRCE-UHFFFAOYSA-N	311.338	2.122	70	20	DEID	
CC[C@](C)(C#N)NC(=O)c1cc(S(=O)(=O)F)ccc1Cl	1121174093	JCKLDAFPQTTYON-GFCCVEGCSA-N	318.757	2.420	70	20	DEID	
CNC[C@H]1CCCN1C(=O)c1cnc2onc(C(C)C)c2c1	161334218	LLWWRFLGGHKYBI-GFCCVEGCSA-N	302.378	2.170	70	20	DEID	
CC[C@@H](C)c1ccc(S(=O)(=O)N[C@@H]2CCC(=O)N(C)C2)cc1	160085677	ACMGYYPHVNJDLY-TZMCWYRMSA-N	324.446	2.099	70	20	DEID	
CCC(CC)CN(CC)C(=O)NC[C@H]1CCCS1(=O)=O	160174560	ZOBMLTCQUZRERL-CYBMUJFWSA-N	304.456	2.031	70	20	DEID	
Cc1conc1NC(=O)C(=O)NC[C@@H]1CCCc2ccccc21	160238727	NRORPDNQMBFQDI-ZDUSSCGKSA-N	313.357	2.158	70	20	DEID	
CCCCN(CCO)C(=O)Nc1ccn(CC(F)(F)F)n1	160316063	LMQSURWEFDBHKQ-UHFFFAOYSA-N	308.304	2.072	70	20	DEID	
COc1cc(C(=O)N2CCC(N(C)C(C)=O)CC2)ccc1Cl	160429434	NGZFZAOHDKQXJT-UHFFFAOYSA-N	324.808	2.432	70	20	DEID	
CN[C@@H]1CCN(C(=O)C2(c3cccc(OC)c3)CCCC2)C1	160582998	WYSSJPWGJPVHJW-OAHLLOKOSA-N	302.418	2.327	70	20	DEID	
CC[C@H]1CN(C(=O)Nc2ccn(CC(F)(F)F)n2)C[C@H](C)O1	160704717	PZDJHRPIJWMWLO-UWVGGRQHSA-N	320.315	2.477	70	20	DEID	
Cc1cc(NC(=O)C[C@@H]2COC(=O)C2)n(Cc2ccccc2)n1	160865425	AHXMZWOYVCSYGN-AWEZNQCLSA-N	313.357	2.132	70	20	DEID	
CCCn1c(C)nnc1CN(C)Cc1ccc(OC)c(O)c1	160940327	HDOVMXKDLKCDSU-UHFFFAOYSA-N	304.394	2.343	70	20	DEID	
CC[C@H](C)[C@H](O)CNC(=O)c1cc(OC)c(OC)cc1Cl	159400919	FXCIASWJRYALNY-JOYOIKCWSA-N	315.797	2.494	70	20	DEID	
CCCNC(=O)CSc1nnc(COc2ccccc2)n1C	159405589	VGOJOCNYTDXDBR-UHFFFAOYSA-N	320.418	2.012	70	20	DEID	
NC1(CNC(=O)CCc2ccc3c(c2)OCCO3)CCCCC1	159606849	VPKXAQLEKVMIKJ-UHFFFAOYSA-N	318.417	2.168	70	20	DEID	
CC(C)OC1CCC(NC(=O)[C@H](C(C)C)N2CCCC2=O)CC1	159497067	AZNKGCHQGNHVGP-DQPZFDDXSA-N	324.465	2.486	70	20	DEID	
CNC(=O)Cc1ccc(NC(=O)N2CCS[C@@H](C)[C@@H]2C)cc1	159384407	WLGUMINISGOVHM-RYUDHWBXSA-N	321.446	2.333	70	20	DEID	
CCC(CC)n1ncc(C(=O)N2CCC(CC(N)=O)CC2)c1C	159989024	YCWGRDRLFGJHCG-UHFFFAOYSA-N	320.437	2.280	70	20	DEID	
Brc1cncc(N2CCC(n3ccnn3)CC2)c1	160216243	XWTYMLDRLMANTC-UHFFFAOYSA-N	308.183	2.277	70	20	DEID	
COC1(COC(=O)c2ccc(S(=O)(=O)F)cc2)CCC1	490537783	VGXOHCOESUZRSP-UHFFFAOYSA-N	302.323	2.071	70	20	DEID	
CC(C)(CNC(=O)c1ccc(S(N)(=O)=O)cc1)C1CCCC1	161129637	PNLCHZXJUSYAEP-UHFFFAOYSA-N	324.446	2.280	70	20	DEID	
C[C@@H]1CCCC[C@H]1NC(=O)CSc1ncnc2[nH]cnc12	161351278	AGKFRHAOVMOVEV-NXEZZACHSA-N	305.407	2.140	70	20	DEID	
Cn1cnc(-c2cccc(NC(=O)NC[C@H]3CCCCO3)c2)n1	161411129	WQOGLDXDDIFCQQ-CQSZACIVSA-N	315.377	2.173	70	20	DEID	
O=C(N[C@@H]1CCN(c2ccccn2)C1)c1ccc(Cl)nc1	161441457	ADLJCKMBHRWOES-GFCCVEGCSA-N	302.765	2.139	70	20	DEID	
Cc1ccc(C(=O)N2CCN(Cc3nc4ccccc4[nH]3)CC2)o1	160060087	UQRMRJRCNQWTMF-UHFFFAOYSA-N	324.384	2.422	70	20	DEID	
CCc1n[nH]c(=O)c(CNC(=O)N2C[C@@H](C)C[C@H](C)C2)c1CC	160350872	IKPOXRFDOBWMON-RYUDHWBXSA-N	320.437	2.082	70	20	DEID	
CCN(Cc1c(C)nc2ccccn12)[C@@H](C)CS(=O)(=O)CC	160396906	NVQMFWCBVYZZKV-ZDUSSCGKSA-N	323.462	2.288	70	20	DEID	
COC(=O)c1ccc(Cn2cnc(C(C)C)cc2=O)c(F)c1	160804705	KMPJBXXVSJLVDZ-UHFFFAOYSA-N	304.321	2.341	70	20	DEID	
COc1ccc2[nH]cc(CC(=O)Nc3c[nH]c(=O)c(C)c3)c2c1	159441550	OGLNTEOPCMUMPO-UHFFFAOYSA-N	311.341	2.354	70	20	DEID	
O=C(CN1CC[C@@H]2CCCC[C@@H]21)NC(=O)NC1CCCCC1	159650086	DXRUOUXBIIAVLK-ZFWWWQNUSA-N	307.438	2.409	70	20	DEID	
CCc1nnc(SCc2noc(C3CCCCC3)n2)n1N	159853089	IPIPUHYVUOSBEZ-UHFFFAOYSA-N	308.411	2.277	70	20	DEID	
CC1(C)CCCC[C@H]1NC(=O)N1CCC[C@@H]1C(=O)NC1CC1	159788144	WNGDUHBOAQMVAT-ZIAGYGMSSA-N	307.438	2.408	70	20	DEID	
CCOC(=O)NCCCC(=O)Nc1cc(F)c(OC)c(F)c1	159986013	YDUKDIWRQDIEMT-UHFFFAOYSA-N	316.304	2.438	70	20	DEID	
CC(C)CN(CC(N)=O)C(=O)CSc1ccccc1Cl	159795684	JQCHYLJDPVMWFW-UHFFFAOYSA-N	314.838	2.402	70	20	DEID	
CS(=O)(=O)NCC[C@@H]1CCCCN1C[C@H]1CC=CCC1	159381946	WQYXJWKNAIAWFA-GJZGRUSLSA-N	300.468	2.137	70	20	DEID	
CN(CCc1nccs1)S(=O)(=O)c1ccccc1F	159627940	NBHSZZLLNCMJJJ-UHFFFAOYSA-N	300.380	2.145	70	20	DEID	
CC(C)COCCC(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	857674813	RFHVPAVAOYMPHC-UHFFFAOYSA-N	321.345	2.485	70	20	DEID	
COC[C@@H](C)CNc1ccc([N+](=O)[O-])cc1CS(=O)(=O)F	881847229	ATVLHFWDUJSLLK-VIFPVBQESA-N	320.342	2.089	70	20	DEID	
CC[C@H](C#N)N(C)C(=O)CCc1ccc(S(=O)(=O)F)cc1	1262801799	GEABJOXHSGPCDS-GFCCVEGCSA-N	312.366	2.038	70	20	DEID	
COc1cc(F)c(C(=O)N(C)C2CCN(C)CC2)cc1OC	161125983	SMOKWESVHPKRFL-UHFFFAOYSA-N	310.369	2.009	70	20	DEID	
C[C@@H]1CCCN(C(C)(C)CNC(=O)[C@@H](O)c2ccccc2)C1	161399919	DQBYRVJAQMRWJR-ZBFHGGJFSA-N	304.434	2.347	70	20	DEID	
Cc1cccc([C@H]2CCCN2CC(=O)NC(=O)NCC(C)C)n1	160009339	OCGGCHPLGSHITM-OAHLLOKOSA-N	318.421	2.009	70	20	DEID	
CC[C@H](C)c1ccc(S(=O)(=O)N[C@H]2CCC(=O)N(C)C2)cc1	160086058	ACMGYYPHVNJDLY-JSGCOSHPSA-N	324.446	2.099	70	20	DEID	
NC(=O)N1CCC[C@H](C(=O)N[C@@H]2CCCc3sccc32)C1	160105360	AQVSYTWALMAOTD-CMPLNLGQSA-N	307.419	2.032	70	20	DEID	
CCC[C@@H](N)C(=O)NCCc1nc(-c2cccc(Cl)c2)no1	160174612	OQIFZTNOTDFHPO-GFCCVEGCSA-N	322.796	2.176	70	20	DEID	
CC[C@@](C)(O)CNS(=O)(=O)Cc1cc(Cl)ccc1F	160285181	BZCMHDFIGMAWHF-GFCCVEGCSA-N	309.790	2.060	70	20	DEID	
CCC(CC)N1C[C@@H](C(=O)N(C)Cc2cccn2C)CC1=O	160787511	SLVZFSGZPUNXPD-ZDUSSCGKSA-N	305.422	2.021	70	20	DEID	
CN(Cc1cc(Cl)cn1C)C(=O)c1cnc2c(c1)ncn2C	160792268	JTSVLSREFKFWHX-UHFFFAOYSA-N	317.780	2.232	70	20	DEID	
Cc1c(/C=C/C(=O)NCC(C)(C)N2CCC[C@H](C)C2)cnn1C	160897380	JMVYQZKEWPPNJR-VFNNOXKTSA-N	318.465	2.368	70	20	DEID	
CCOC[C@@H]1CCN(C(=O)Nc2ccn(CC(F)(F)F)n2)C1	160907665	KIMYEGTUMBNHCG-SNVBAGLBSA-N	320.315	2.336	70	20	DEID	
O=C(NC1CC1)c1cc(I)c(F)cc1F	160923525	NOZTVPPQSPAPCC-UHFFFAOYSA-N	323.080	2.462	70	20	DEID	
COC[C@H](NC(=O)NCc1ccnc(OC(C)C)c1)C1CC1	160940623	VKHMVIKWWOIBLM-AWEZNQCLSA-N	307.394	2.093	70	20	DEID	
Cn1c(CO)nnc1SCc1noc(C2CCCCC2)n1	159608336	WLOILXFFJCLCBC-UHFFFAOYSA-N	309.395	2.030	70	20	DEID	
C[C@H](CC(=O)N1CCC[C@@H](CCC(N)=O)C1)c1ccncc1	159861011	XPRIJQMIRJSVNH-KGLIPLIRSA-N	303.406	2.079	70	20	DEID	
COC(=O)NCCC(=O)N(C)c1ccc(OC)c(Cl)c1	159910097	QHKVHGKYNLWMAM-UHFFFAOYSA-N	300.742	2.058	70	20	DEID	
CCN(CC)C(=O)NC[C@H](Cc1ccccc1OC)C(=O)OC	159559283	OKGXBEZQRVMUBM-AWEZNQCLSA-N	322.405	2.078	70	20	DEID	
CCOC(=O)CCc1ccc(NC(=O)N(C)CCOC)cc1	159563116	GONAACFSYCUNIV-UHFFFAOYSA-N	308.378	2.292	70	20	DEID	
COc1ccc(C)nc1NS(=O)(=O)c1sccc1OC	159762130	ZSIFAOIRIIACEO-UHFFFAOYSA-N	314.388	2.270	70	20	DEID	
O=C(Nc1cccc(S(=O)(=O)F)c1)C1CCSCC1	460088327	CICKOSKHYVCZEZ-UHFFFAOYSA-N	303.380	2.427	70	20	DEID	
CCNC(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1	161038016	GAYRLTHGYFERSG-OAHLLOKOSA-N	313.405	2.472	70	20	DEID	
CN(CC(=O)N(C)Cc1ccccc1F)Cc1cccnc1	161198372	RDGSEEZEHIQQPJ-UHFFFAOYSA-N	301.365	2.311	70	20	DEID	
c1ccc(-n2cnnc2CNC2CCC3(CC2)OCCO3)cc1	161278943	NPBBOPNCHZLXOJ-UHFFFAOYSA-N	314.389	2.043	70	20	DEID	
CCc1c(C(=O)N2CCOC[C@H]2C2CC2)[nH]c(C)c1C(C)=O	161387837	ZMSMIPIDMBIFNO-AWEZNQCLSA-N	304.390	2.339	70	20	DEID	
CN(CCN(C)c1ccccc1)C(=O)[C@H]1CCn2ccnc2C1	161491990	MHFSRJXZXGRZIW-HNNXBMFYSA-N	312.417	2.040	70	20	DEID	
O=C(NCCOCc1ccccc1)c1cccc2[nH]c(=O)oc12	160006805	LGJWDQYEBVUKDP-UHFFFAOYSA-N	312.325	2.068	70	20	DEID	
CC(=O)c1cccc(S(=O)(=O)N[C@H](CN)C2CCCCC2)c1	160157497	KUTCTTQVSPASPZ-MRXNPFEDSA-N	324.446	2.075	70	20	DEID	
COC(=O)C[C@@H](C)C(=O)Nc1nnc(-c2ccsc2)s1	160187788	ZNHQVAPQAIAMIZ-SSDOTTSWSA-N	311.388	2.404	70	20	DEID	
CC(C)Cn1cc(NC(=O)C(=O)Nc2ccc(F)cc2F)cn1	160490551	YWDPKWFSYKKDED-UHFFFAOYSA-N	322.315	2.395	70	20	DEID	
O=C1CC[C@H]2CN(C(=O)c3c(F)cccc3Cl)CC[C@@H]2N1	160604981	OCGNCMIFGPZIRO-CABZTGNLSA-N	310.756	2.220	70	20	DEID	
Cc1ccc(C(=O)NCCc2csc(C(C)(C)C)n2)c(=O)[nH]1	160725441	HSDJRAINBFVBFB-UHFFFAOYSA-N	319.430	2.410	70	20	DEID	
CCC(CC)(CC)NC(=O)N[C@@H]1CCc2nc(COC)nn2C1	160735083	TYVOJGUCDSTFDH-GFCCVEGCSA-N	323.441	2.007	70	20	DEID	
CC(C)C[C@@H](CO)NC(=O)[C@H](C)CN(C)C(=O)OC(C)(C)C	160893780	WVDZIRWCTMOGKG-OLZOCXBDSA-N	316.442	2.013	70	20	DEID	
C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)CNC[C@H]1CCCO1	159444704	DHKKSRIWINIDAH-XJKSGUPXSA-N	324.852	2.498	70	20	DEID	
CC[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1	159648563	CFSYTUZOEQHNJR-MXWKQRLJSA-N	306.328	2.092	70	20	DEID	
O=C(C[C@H]1COC(=O)C1)N[C@H](C[C@@H]1CCOC1)c1ccccc1	159466608	MQUAVGBFZHROKL-SQWLQELKSA-N	317.385	2.224	70	20	DEID	
O=C(NCCO)[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1	159499931	XLYNCJKUZAXRCG-ZWKOTPCHSA-N	311.381	2.478	70	20	DEID	
CC[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1	159699909	JQFICNMECJJOJH-NFAWXSAZSA-N	304.390	2.323	70	20	DEID	
O=C(Cc1ccccc1Br)NCC1CCNCC1	217268402	YDENCVXFAAHWKP-UHFFFAOYSA-N	311.223	2.107	70	20	DEID	
N#CCc1ccnc(NC(=O)c2ccc(S(=O)(=O)F)cc2)c1	864242462	GNUBNLJKTFZPLB-UHFFFAOYSA-N	319.317	2.058	70	20	DEID	
C[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1CS(=O)(=O)F	882036688	JJMWNQGQWHOAQD-SECBINFHSA-N	302.327	2.383	70	20	DEID	
CCc1c(C(=O)N(C)CCc2ccccc2)[nH]c(C)c1C(N)=O	161045075	CLZINAWPDHJHAW-UHFFFAOYSA-N	313.401	2.299	70	20	DEID	
Cc1ccccc1[C@]1(C)NC(=O)N(Cc2nccs2)C1=O	161317141	PWFQGRAZJSHXJX-HNNXBMFYSA-N	301.371	2.419	70	20	DEID	
CO[C@H](C)c1noc(CN2CCN(C)C[C@@H]2c2ccccc2)n1	161334690	URABMQVJUFDUBG-UKRRQHHQSA-N	316.405	2.266	70	20	DEID	
Cc1ccn(C)c(=O)c1NC(=O)c1cccnc1OCC(C)C	161349872	QPRNWXIVYJFSNY-UHFFFAOYSA-N	315.373	2.376	70	20	DEID	
CCOC(=O)NCCCC(=O)NCCOc1ccccc1C	160026043	WMGZSWMLFAGADG-UHFFFAOYSA-N	308.378	2.016	70	20	DEID	
COC(=O)C1(NC(=O)Cc2cc(F)c(F)cc2F)CCCC1	160161816	VJLQIWMUJPUXMA-UHFFFAOYSA-N	315.291	2.248	70	20	DEID	
CN(Cc1cccn1C)C(=O)c1ccc(N2CCCC2=O)cc1	160435076	VZFIICRZTNCNFO-UHFFFAOYSA-N	311.385	2.424	70	20	DEID	
CNC(=O)[C@@H](C)CN(C)C(=O)C[C@@H](C)c1ccc(F)cc1F	160411456	UZZHAPXLUVCRSZ-MNOVXSKESA-N	312.360	2.299	70	20	DEID	
NC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1ccc(F)cc1C(F)(F)F	160719555	ZOFGHQMLLORTCN-KOLCDFICSA-N	318.270	2.228	70	20	DEID	
CSc1ccccc1NC(=O)CN(C)C(=O)[C@@H]1CCCCO1	160830772	HZBLEKAUNVCXLP-ZDUSSCGKSA-N	322.430	2.375	70	20	DEID	
C[C@@H](CC(=O)N1CC[C@@H](Cc2cnn(C)c2)C1)c1ccncc1	160977082	CJWHSVGZPREQQT-GJZGRUSLSA-N	312.417	2.400	70	20	DEID	
C[C@H](O)C[C@@H](CNC(=O)c1ccc2[nH]nnc2c1)c1ccccc1	159402172	HAOAPKDTDQJYIM-WFASDCNBSA-N	324.384	2.242	70	20	DEID	
CC[C@@H](C(=O)N(C)c1cc(OC)c(OC)c(OC)c1)N(C)C	159714619	QKRFTCVWWXIQFW-LBPRGKRZSA-N	310.394	2.015	70	20	DEID	
Cc1ccc(NC(=O)c2cccc(S(=O)(=O)F)c2)c(O)n1	1338389584	KBHHZOBNMCIYGW-UHFFFAOYSA-N	310.306	2.006	70	20	DEID	
O=C(N[C@@H]1CCC[C@H](F)C1)c1cccc(S(=O)(=O)F)c1	1349545994	GZAOSCIQICBSCX-WDEREUQCSA-N	303.330	2.355	70	20	DEID	
CC[C@H](CC(F)(F)F)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1516700868	BOGDJPDJVLZOEZ-ZCFIWIBFSA-N	316.276	2.134	70	20	DEID	
CCS(=O)(=O)c1cccc(CC(=O)N[C@H]2C=CCCC2)c1	161039162	JVWYBFNOVPZVRX-AWEZNQCLSA-N	307.415	2.248	70	20	DEID	
Cc1cc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)ncn1	161303705	MLRCHRIRFHVEAK-QGZVFWFLSA-N	310.401	2.352	70	20	DEID	
CCOc1ccccc1C(=O)N1CCC(N[C@@H](C)COC)CC1	160012477	MPLUKGOHZLQKGC-AWEZNQCLSA-N	320.433	2.314	70	20	DEID	
CNC(=O)CCCN(C)C(=O)Nc1cccc(Cl)c1F	160198237	SCRWUUUJAJQCIX-UHFFFAOYSA-N	301.749	2.469	70	20	DEID	
CCCCn1ncc(NC(=O)N[C@H](C)CO[C@@H]2CCOC2)c1C	160271938	LSNWHAYPOFIIAF-TZMCWYRMSA-N	324.425	2.307	70	20	DEID	
CN(C)c1ccc(-c2cncc(C(=O)N3CCC[C@@H]3CN)c2)cc1	160399889	MQNFWDMMAWKNKE-GOSISDBHSA-N	324.428	2.378	70	20	DEID	
CCC(CC)(CCO)CNC(=O)N[C@@H]1CCO[C@@H](C2CC2)C1	160499602	BLXKCTSYBBVDFA-HUUCEWRRSA-N	312.454	2.432	70	20	DEID	
Cc1cc(NC(=O)[C@H]2CCC[C@@H](N)C2)ccc1C(=O)N(C)C	160516722	MYLHNBOMAGSOOV-QWHCGFSZSA-N	303.406	2.153	70	20	DEID	
CCc1nc2n(n1)C[C@@H](NC(=O)[C@H](C)c1ccsc1)CC2	160707625	WNNPKDNMLXKACD-PWSUYJOCSA-N	304.419	2.137	70	20	DEID	
CC(C)CSCCCNC(=O)CNC(=O)OC(C)(C)C	160841820	FVIHSWWTHFTSSO-UHFFFAOYSA-N	304.456	2.407	70	20	DEID	
COCCOc1cccc(CC(=O)N(C)Cc2cccnc2)c1	160954974	AHEUUGATWGYRKL-UHFFFAOYSA-N	314.385	2.308	70	20	DEID	
CCCC[C@@H](CCC)NC(=O)NCC1(CO)CCOCC1	159440497	NXRZZSWUEZSQLG-CQSZACIVSA-N	300.443	2.434	70	20	DEID	
C[C@@H](NC(=O)NC[C@@]1(C)CCCS1)c1nnc2ccccn12	159460857	AKMIPZIGYHSBMD-IAQYHMDHSA-N	319.434	2.375	70	20	DEID	
C[C@@H]1CN(C(=O)Nc2ccnn2C[C@@H]2CCOC2)C[C@@H](C)S1	159674298	AMJDZTPFBABJSO-UPJWGTAASA-N	324.450	2.277	70	20	DEID	
CC1(C)C[C@@H](NC(=O)NCc2ccc3c(c2)OCCO3)CCO1	161042917	QKOYWWOHBSKGCI-ZDUSSCGKSA-N	320.389	2.215	70	20	DEID	
CCC(CC)(CN)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C	161273422	TZUJXQJPCGARAL-MRXNPFEDSA-N	305.466	2.479	70	20	DEID	
COC(=O)c1cc(CN2CCN(c3ccncc3)CC2)oc1C	161312336	OLYKRLPWDVYHAK-UHFFFAOYSA-N	315.373	2.092	70	20	DEID	
CC(C)(C)CN(CCCO)S(=O)(=O)c1ccc(F)cc1	161345382	JLCPWRNUQZONCO-UHFFFAOYSA-N	303.399	2.245	70	20	DEID	
COc1cccc2c1CC[C@@H]2NC(=O)CCOC1CCOCC1	160070915	HEPOJKCHJAUUIV-INIZCTEOSA-N	319.401	2.384	70	20	DEID	
Cn1cnc2cc(C(=O)Nc3cccc(-n4ccnc4)c3)cnc21	160139463	GUHRHSGQUXMGFQ-UHFFFAOYSA-N	318.340	2.406	70	20	DEID	
CCOC(=O)C1(C(=O)NCc2ccc(C)c(OC)c2)CCC1	160682998	JMCWMEFLZBIDEK-UHFFFAOYSA-N	305.374	2.353	70	20	DEID	
CCn1nccc1CN1CCN(c2cccc(OC)c2)CC1	160688506	UFMZSKOEBMITOH-UHFFFAOYSA-N	300.406	2.234	70	20	DEID	
CCOc1cc(F)ccc1NC(=O)N(C)CCCC(=O)NC	160999079	VGXDLJIPBJKTMH-UHFFFAOYSA-N	311.357	2.214	70	20	DEID	
CSCC[C@@H](N)C(=O)NC[C@@H](C)c1ccc(F)cc1F	159494492	IPLFBKUJNMMGIG-NOZJJQNGSA-N	302.390	2.265	70	20	DEID	
CC[C@@]1(C)NC(=O)N(CC(=O)NC2CCC(C(C)C)CC2)C1=O	159386362	MYMHVHVPYWYUJC-QWQCLYJRSA-N	323.437	2.038	70	20	DEID	
Cc1cc(NC(=O)[C@@H](C)Oc2ccc(F)c(F)c2)c[nH]c1=O	159774942	STNUYSWJLRZCEW-SECBINFHSA-N	308.284	2.368	70	20	DEID	
CC(C)(C)OC(=O)NC[C@@H]1CCCCN1CCn1ccnc1	159789967	QMXKGHPVTKAPDW-AWEZNQCLSA-N	308.426	2.262	70	20	DEID	
CNC(=O)CCNCc1ccc(Br)c2cccnc12	160320761	SDFGKTUSMJUYII-UHFFFAOYSA-N	322.206	2.223	70	20	DEID	
C[C@@H](NC(N)=O)C(=O)N1CCCC[C@@H]1CCCc1ccccc1	161200564	GXZLHAJLPRJRDG-GDBMZVCRSA-N	317.433	2.447	70	20	DEID	
Cc1[nH]ccc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C	161411573	MVEXWFLXBGFIGX-NSHDSACASA-N	307.394	2.405	70	20	DEID	
C[C@H](Sc1ccccn1)C(=O)Nc1ccc2c(c1)C(=O)NC2	160315171	YIBXIGHZJDHOQZ-JTQLQIEISA-N	313.382	2.444	70	20	DEID	
CC[C@@H](COC)NS(=O)(=O)c1ccc(C(F)(F)F)cc1	160320775	XVBXHIBEJGAMIA-JTQLQIEISA-N	311.325	2.409	70	20	DEID	
O=C(Nc1cccc(-c2nnco2)c1)[C@H]1CCn2ccnc2C1	160344517	OOLUFHBNUMPWRC-NSHDSACASA-N	309.329	2.134	70	20	DEID	
CC[C@@H]1COCCN1C(=O)Nc1ccn(CC(F)(F)F)n1	160747450	ZNHQIXFKMJENEM-SECBINFHSA-N	306.288	2.088	70	20	DEID	
Cc1noc([C@@H]2COCCN2Cc2nc3ccc(F)cc3o2)n1	160864426	HXUSKYBCHYNLEX-LBPRGKRZSA-N	318.308	2.232	70	20	DEID	
CCn1c(SCc2nnc(C)n2C)nnc1-c1ccncc1	160927489	IPLQVTVJXKIEPT-UHFFFAOYSA-N	315.406	2.089	70	20	DEID	
CCCN(CC)c1ccc(C(=O)N2CCN(C(C)C)CC2)cn1	159890345	SZYMKNXATRFMNX-UHFFFAOYSA-N	318.465	2.484	70	20	DEID	
CCOC(=O)CN(C)CC(=O)N(CC)[C@@H](C)c1ccc(F)cc1	159524599	WJUUKBHJPDQPJA-ZDUSSCGKSA-N	324.396	2.230	70	20	DEID	
Cc1cccc(CCNS(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1	159748489	OLEQSINJVZYLKS-HUUCEWRRSA-N	310.463	2.350	70	20	DEID	
CS[C@@H](C)CC(=O)Nc1ccc(C(=O)N2CCOCC2)cc1	159962331	MGRBSENFONMPIU-LBPRGKRZSA-N	322.430	2.239	70	20	DEID	
COCCCN(C)C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1	159985531	UIWUWCBNOKXPCP-RDJZCZTQSA-N	319.449	2.327	70	20	DEID	
CN(CC1(O)CCOCC1)C(=O)c1nc(Cl)ccc1Cl	161494403	GTBBWYBRMVKNIW-UHFFFAOYSA-N	319.188	2.002	70	20	DEID	
CCCC(O)(CCC)CC(=O)Nc1ccn(CCN(C)C)n1	161044490	RLACWRLSKPHSGS-UHFFFAOYSA-N	310.442	2.105	70	20	DEID	
CCN(CC)CCSCC(=O)Nc1ccc(OC)c(N)c1	161118197	VFYZWOMSUSFHMC-UHFFFAOYSA-N	311.451	2.291	70	20	DEID	
Cn1cc(NC(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)cn1	161358363	UHXAFDMKGYCRFV-ZFWWWQNUSA-N	300.362	2.462	70	20	DEID	
CCCCN(C)c1ccc(NC(=O)NCC[C@@H](O)COC)cc1	161509450	WEMWSXZUIMDNPC-MRXNPFEDSA-N	323.437	2.442	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)c1ccc(C(F)(F)F)nc1	160310920	YTWBFGIWSPNHRS-QMMMGPOBSA-N	304.268	2.172	70	20	DEID	
C[C@@H](CCC(C)(C)C)NC(=O)NC[C@@H](C)CN1CCOCC1	160414496	LHDQEWIHIQNBQW-CABCVRRESA-N	313.486	2.469	70	20	DEID	
CN(CCc1ccncc1)C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1	160484493	NQBJXCBRAOZXRI-HZPDHXFCSA-N	303.406	2.223	70	20	DEID	
CC[C@H](NC(=O)Nc1ccc(CC(=O)NC)cc1)[C@H]1CCCO1	160497262	YTCUQGWUOQTSFX-LSDHHAIUSA-N	319.405	2.054	70	20	DEID	
CN(CCC(F)(F)F)C(=O)c1csc(S(C)(=O)=O)c1	160870397	OHDZRSMXPXXBOO-UHFFFAOYSA-N	315.338	2.176	70	20	DEID	
CC(C)CN1CCCC[C@@H]1CNC(=O)NCC[C@H](O)C(C)C	160918343	UUOJWGXEFJWDCC-CVEARBPZSA-N	313.486	2.203	70	20	DEID	
CC[C@H](NC(=O)CCn1ccccc1=O)c1c(C)noc1C	159962656	JQRJGAUPCXTWID-ZDUSSCGKSA-N	303.362	2.111	70	20	DEID	
CS(=O)(=O)NCC[C@H]1CCCCN1Cc1ccsc1	159458343	HKNJZOGLZASUHI-CYBMUJFWSA-N	302.465	2.042	70	20	DEID	
COC(C)(C)CC(=O)Nc1ccc(C)c(S(=O)(=O)F)c1	857675600	UPSNSHIVXUEAIP-UHFFFAOYSA-N	303.355	2.407	70	20	DEID	
CCCC[C@@H](NC(=O)c1cncnc1C)C(=O)OC(C)(C)C	161108647	GAFDYKBITYZOFT-CYBMUJFWSA-N	307.394	2.415	70	20	DEID	
CCn1cnnc1[C@H]1CCCN([C@H](C)C(=O)NC(C)(C)CC)C1	161280458	VJCGHBYZNWAWJG-KGLIPLIRSA-N	321.469	2.171	70	20	DEID	
CNC[C@H]1CCCN1C(=O)c1ccc(C(=O)c2cc[nH]c2)cc1	161389102	UAYGCQYJEIJRIE-MRXNPFEDSA-N	311.385	2.070	70	20	DEID	
O=C1C[C@H](CC(=O)N2CC[C@@H](Oc3ccccc3Cl)C2)CO1	161422737	JTSQQANYZCAGPD-NWDGAFQWSA-N	323.776	2.273	70	20	DEID	
CCCOc1ncccc1CNC(=O)N(C)C[C@@H]1CCC[C@H]1O	160036751	YHPJNBOXLOBFOI-LSDHHAIUSA-N	321.421	2.173	70	20	DEID	
O=C(N[C@H]1CCO[C@@H](C2CC2)C1)N(CCO)Cc1ccccc1	160264422	LMEBWKVTUPDWHW-DLBZAZTESA-N	318.417	2.148	70	20	DEID	
C/C(=C/C(=O)NC[C@@H](O)CN1CCCCC1)c1cccc(F)c1	160563867	LXTCBYFGIYXUAP-OOXMNIKJSA-N	320.408	2.192	70	20	DEID	
O=C(CN[C@@H]1CCCOc2ccccc21)NCC(F)(F)F	160588632	ZFOAUPMJHYJYCA-LLVKDONJSA-N	302.296	2.168	70	20	DEID	
COc1ccc(NS(=O)(=O)c2ccc(F)cc2F)c(C)n1	160663826	MUEVFNNDQYRVBV-UHFFFAOYSA-N	314.313	2.478	70	20	DEID	
Cc1ccc(CNC(=O)Cn2cnc(C(C)C)cc2=O)cc1F	160763031	QEOGUCIEUPWSQD-UHFFFAOYSA-N	317.364	2.131	70	20	DEID	
CN(C(=O)Nc1ccc(-n2cccn2)nc1)[C@@H]1CCSC1	160934194	SEZFRDUFHARPFL-GFCCVEGCSA-N	303.391	2.237	70	20	DEID	
CC(C)Oc1cccc([C@H](O)CNC(=O)C2(N)CCCCC2)c1	160964681	KIXWJNJGPKBZQE-MRXNPFEDSA-N	320.433	2.285	70	20	DEID	
Cc1sc(C(=O)Nc2ccncc2)cc1CS(C)(=O)=O	159607377	HOZLOJOBLGDKMC-UHFFFAOYSA-N	310.400	2.248	70	20	DEID	
Cc1cc(N)nc(S[C@@H]2CCCN(CC(F)(F)F)C2=O)n1	159422574	TUDRUXWPGJZEBX-MRVPVSSYSA-N	320.340	2.013	70	20	DEID	
CCC(=O)N1CC[C@@H](NC(=O)Nc2ccn(CCC(C)C)n2)C1	159661232	LTVJPGSEERAKDZ-CYBMUJFWSA-N	321.425	2.062	70	20	DEID	
CC(C)CC(=O)NCCC(=O)N1CCO[C@H](c2ccccc2)C1	159688137	QEDLPOLSIZDTPD-INIZCTEOSA-N	318.417	2.139	70	20	DEID	
CN(C)c1nc2ccc(NC(=O)c3ccc4nncn4c3)cc2o1	159914377	IUZHHDZGIKOTQC-UHFFFAOYSA-N	322.328	2.189	70	20	DEID	
CCn1nc(C(=O)N(C)c2ccc(OC)c(Cl)c2)ccc1=O	159968491	KZQYUSCOEAWSIR-UHFFFAOYSA-N	321.764	2.202	70	20	DEID	
C[C@]1(C(=O)Nc2ccc(S(=O)(=O)F)cc2)CCCCO1	460098370	ZUSWEANPHVSOOH-CYBMUJFWSA-N	301.339	2.243	70	20	DEID	
Cc1ncc(C(=O)Nc2cccc(S(=O)(=O)F)c2)c(C)n1	460092926	NATKIGCEKPDJDR-UHFFFAOYSA-N	309.322	2.004	70	20	DEID	
O=C(NC1(c2ccccc2)CCC1)c1cc(S(=O)(=O)F)c[nH]1	1120785152	PCBVRBPGBVICDY-UHFFFAOYSA-N	322.361	2.482	70	20	DEID	
CCN(C[C@H](C)OC)C(=O)c1ccc(S(=O)(=O)F)cc1C	1337584751	RXMPXNNYPDBQRF-NSHDSACASA-N	317.382	2.150	70	20	DEID	
CN(C)c1ccc(NC(=O)c2cccc(S(=O)(=O)F)c2)nc1	1262732576	MYFYTQGUKPGPPV-UHFFFAOYSA-N	323.349	2.058	70	20	DEID	
C[C@@H](Cn1ccnc1)NC(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]21	161041934	NUUCLEBZPWOXLI-OSMBCOQSSA-N	310.401	2.299	70	20	DEID	
O=C(Cn1cccn1)N(Cc1ccccc1)CC1(O)CCCC1	161172748	ORZGOAQSUBCXDJ-UHFFFAOYSA-N	313.401	2.217	70	20	DEID	
CCOCCC1(CNC(=O)[C@@H](C)OC[C@H]2CCCO2)CCC1	161245254	HPWMWBYBNBZSOZ-HUUCEWRRSA-N	313.438	2.284	70	20	DEID	
Cn1nc(C(=O)Nc2scnc2-c2ccccc2)ccc1=O	161436098	WJFAEVQXMGNSIH-UHFFFAOYSA-N	312.354	2.156	70	20	DEID	
CC(C)(C)c1nc(CCNC(=O)CCn2cccn2)cs1	160690006	AWTXWBHNGPELKK-UHFFFAOYSA-N	306.435	2.386	70	20	DEID	
CCOc1ccc(NC(=O)[C@H](C)N(C)C[C@H](O)C2CC2)cc1	160743471	SAGZRPKTDWZWFQ-LRDDRELGSA-N	306.406	2.115	70	20	DEID	
CC(C)C[C@H](CO)NC(=O)c1cnc2c(cnn2CC(C)C)c1	160952866	MBAYIPXJIGNJOE-OAHLLOKOSA-N	318.421	2.224	70	20	DEID	
Cc1cccc(CN2CCN(C(=O)[C@@H]3CCCO3)CC2)c1C	160993852	VJXICDPSVRGFHF-KRWDZBQOSA-N	302.418	2.127	70	20	DEID	
COC(=O)[C@H](NC(=O)Cc1c[nH]c2cc(F)ccc12)C(C)C	159541829	NLANZVYJDUPJPJ-OAHLLOKOSA-N	306.337	2.163	70	20	DEID	
NC(=O)c1cccc(C(=O)N[C@H]2CCOC3(CCCC3)C2)c1	159962370	KQBIJGUTPAAPPY-AWEZNQCLSA-N	302.374	2.007	70	20	DEID	
CC(C)(C)c1cc(NC(=O)N2CCC[C@H](CC(N)=O)C2)no1	159386435	OYCKUBQSEWEAPZ-SNVBAGLBSA-N	308.382	2.091	70	20	DEID	
COc1ccc([C@H](C)NC(=O)N[C@H]2CC(=O)N(C(C)C)C2)cc1	217288145	WSBUIMHBQRGTRR-JSGCOSHPSA-N	319.405	2.065	70	20	DEID	
COC[C@@H](C)[C@H](C)C(=O)Nc1cccc(S(=O)(=O)F)c1	460091110	JCDZCNYHMIKLIR-ZJUUUORDSA-N	303.355	2.202	70	20	DEID	
CSC[C@@H](C)NC(=O)CCc1ccc(S(=O)(=O)F)cc1	1337257968	FDDINVCTDWHYSI-SNVBAGLBSA-N	319.423	2.145	70	20	DEID	
CC(C)C[C@@H](CO)NC(=O)CCCc1nc2ccccc2[nH]1	161252346	ANKUVSVBSBNQDP-ZDUSSCGKSA-N	303.406	2.409	70	20	DEID	
CN(C)C1CCN(CCN[C@H]2CCc3cc(F)ccc32)CC1	160154313	AAWLPBPOWDRESS-SFHVURJKSA-N	305.441	2.429	70	20	DEID	
CC[C@H](C)OCC(=O)Nc1ccc(C)cc1OCC(=O)N(C)C	160876387	XJZZAFWLRPTBAJ-ZDUSSCGKSA-N	322.405	2.216	70	20	DEID	
CC(=O)N1CC[C@H](NC(=O)[C@H](C)c2cc3ccccc3o2)C1	159854241	MFGUVJLZGUEXBK-RISCZKNCSA-N	300.358	2.273	70	20	DEID	
CC(=O)N1CC[C@H](NC(=O)Cc2coc3cc(C)c(C)cc23)C1	159681180	MNFMQLXXBRGUKK-HNNXBMFYSA-N	314.385	2.329	70	20	DEID	
COc1ccc(CCCCC(=O)N[C@H]2CCN(C(C)=O)C2)cc1	159726150	ASEARQNXHSNHPF-INIZCTEOSA-N	318.417	2.145	70	20	DEID	
CN(C)Cc1ccc(C(=O)NC2CCN(C3CC3)CC2)cc1	159375533	RPEMKYPMEOJEAN-UHFFFAOYSA-N	301.434	2.105	70	20	DEID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)[C@@H]1C[C@H]1c1cccnc1	364391053	RIKIFYYOSNMXOO-UONOGXRCSA-N	320.345	2.482	70	20	DEID	
O=C(OC[C@@H]1CCC[C@@H](O)C1)c1ccc(S(=O)(=O)F)cc1	490536352	JDBCVJYTTDPJLG-ZYHUDNBSSA-N	316.350	2.053	70	20	DEID	
Cc1cc(C)cc(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)c1	1347763275	MXZVPELMZAXNQS-UHFFFAOYSA-N	310.350	2.220	70	20	DEID	
CCN(C(=O)CCc1ccc(S(=O)(=O)F)cc1)[C@H](C)C#N	1349740092	BQYUEBOLWMPMLB-LLVKDONJSA-N	312.366	2.038	70	20	DEID	
Cc1ccc(NC(=O)C[C@@H](C)CC(=O)O)cc1S(=O)(=O)F	1600445825	POFZGZOCSOWIAQ-MRVPVSSYSA-N	317.338	2.093	70	20	DEID	
CC(=O)c1ccc(OC(=O)COc2c(C)nn(C)c2C)c(F)c1	160426561	OVZOMVNFAVYMFL-UHFFFAOYSA-N	320.320	2.363	70	20	DEID	
Cc1cc(C)c(C)c(OCC(=O)NCC(=O)NC(C)(C)C)c1	160626390	VPQZGLGWGPWFKS-UHFFFAOYSA-N	306.406	2.022	70	20	DEID	
COC(=O)c1csc(NC(=O)N[C@H]2CCC[C@]2(C)CO)c1	160722395	LAXXZCXBQRQMBD-IINYFYTJSA-N	312.391	2.207	70	20	DEID	
Cc1c(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cnn1C(C)(C)C	159807872	GTXCRMWHYRDPIB-JKSUJKDBSA-N	313.401	2.335	70	20	DEID	
O=C(Cc1cc(F)ccc1Br)N[C@H]1CCC[C@@H]1O	159450250	LJFKQNWHVPVENJ-RYUDHWBXSA-N	316.170	2.160	70	20	DEID	
CCCCc1ccc(NC(=O)C(=O)Nc2ccn(C)n2)cc1	159451791	CMQGEAPPFWZSHY-UHFFFAOYSA-N	300.362	2.340	70	20	DEID	
CCOC(=O)CCN(C(=O)C[C@H](C)c1c(C)n[nH]c1C)C1CC1	159912137	VNBKMDQEYNXBJX-NSHDSACASA-N	321.421	2.464	70	20	DEID	
CC(=O)Nc1cc(C(=O)NCC2(N)CCCCC2)ccc1C	159520092	KHXYPQIAJQOHAV-UHFFFAOYSA-N	303.406	2.345	70	20	DEID	
CC(C)CN1CC[C@H](CNC(=O)N(C)CC2CCOCC2)C1	159931943	FTXFVUUVQWYUIT-MRXNPFEDSA-N	311.470	2.032	70	20	DEID	
COc1cccc(CO[C@@H](C)C(=O)NCC2(N)CCCCC2)c1	159571309	LTSLAEGWPNTVTG-AWEZNQCLSA-N	320.433	2.378	70	20	DEID	
CCC(CC)(CNC(=O)c1ccc(S(=O)(=O)F)cc1)OC	864241654	FFHFTGJGIDSYGA-UHFFFAOYSA-N	317.382	2.280	70	20	DEID	
CC1(C)CCCN(C(=O)c2ccc(S(=O)(=O)F)cc2)[C@@H]1C#N	864240591	AARMVAMEYBMNIL-CYBMUJFWSA-N	324.377	2.499	70	20	DEID	
O=[N+]([O-])c1ccc(N2C[C@H]3C=C[C@H]2C3)c(CS(=O)(=O)F)c1	882947397	XCWIMIJAKMNOAK-ONGXEEELSA-N	312.322	2.159	70	20	DEID	
CC(C)[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H]1C(C)C	1521437296	CZECNXJBRJEWJF-YPMHNXCESA-N	316.398	2.426	70	20	DEID	
CC1(C)CN(c2ccc(S(=O)(=O)F)cn2)[C@@H]1[C@@H]1CCCO1	1550621665	VQQUMJFWASLLIV-WCQYABFASA-N	314.382	2.134	70	20	DEID	
CCOc1cccc2c1OCC(C(=O)N[C@@H]1CCC[C@H](N)C1)=C2	161083411	YMGSHYIMMKQYKT-LSDHHAIUSA-N	316.401	2.247	70	20	DEID	
CNC(=O)CCN(C)CCCc1cc(-c2ccccc2)n[nH]1	161232241	DADXFDVJWJKHDX-UHFFFAOYSA-N	300.406	2.077	70	20	DEID	
CCCCn1ncc(NC(=O)NCCCn2ccnc2)c1C	160006473	JPISHOCQQGDQFT-UHFFFAOYSA-N	304.398	2.400	70	20	DEID	
CC[C@@H](NC(=O)CCOC[C@H]1CCCO1)c1c(C)noc1C	160126669	XUNIAYYXAPAINV-ZIAGYGMSSA-N	310.394	2.444	70	20	DEID	
O[C@@H](Cc1ccccc1)CN1CCN(c2cccs2)CC1	160303128	GVCGUBQVKPNPOP-INIZCTEOSA-N	302.443	2.474	70	20	DEID	
Cc1conc1NC(=O)C(=O)N(C)[C@@H](C)c1ccccc1F	160380700	MBZHKIDIYQROQS-JTQLQIEISA-N	305.309	2.280	70	20	DEID	
COc1cc(/C=C/C(=O)N(C)[C@H](C)CO)ccc1OC(F)F	160516975	PWRHSXDFAYGDES-BREXMAIKSA-N	315.316	2.149	70	20	DEID	
CCNC(=O)c1ccc(NC(=O)N(C)CC2(O)CCCC2)cc1	160775794	LKMUDCPDSWLIBB-UHFFFAOYSA-N	319.405	2.205	70	20	DEID	
COCCOC[C@@H]1CCN(C(=O)C[C@H](C)c2ccncc2)C1	160895798	RGBGVFLMOYELGT-LSDHHAIUSA-N	306.406	2.087	70	20	DEID	
Cc1cc(F)cc2c(=O)c(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3O4)c[nH]c12	160932282	GRCHQIWEKBCRSA-HONMWMINSA-N	316.332	2.025	70	20	DEID	
COc1cccc(OCCCN[C@@H](C(N)=O)c2ccccc2)c1	160992718	YQUMVRSKBIHASC-QGZVFWFLSA-N	314.385	2.280	70	20	DEID	
CCOCCC1(CNC(=O)N[C@@H](C)CN2CCCCC2)CC1	159612471	SFVKWNBKQHUPJC-HNNXBMFYSA-N	311.470	2.367	70	20	DEID	
CCS(=O)(=O)C[C@@H](C)NC(=O)N1CCC2(CCCC2)CC1	159919084	KLJWKFJDWAZLFZ-CYBMUJFWSA-N	316.467	2.175	70	20	DEID	
CC1(O)CCN(C(=O)CSc2ccc(F)c(F)c2)CC1	161278900	RCKZCQPQSALGSP-UHFFFAOYSA-N	301.358	2.430	70	20	DEID	
CCO[C@H](C(=O)Nc1ccc(S(=O)(=O)F)cc1)C1CC1	460092515	LXBRILYZAXHRLQ-LBPRGKRZSA-N	301.339	2.098	70	20	DEID	
CCOCC1(C(=O)Nc2ccc(C)c(S(=O)(=O)F)c2)CC1	857673534	BKXYZTRFAHEQEY-UHFFFAOYSA-N	315.366	2.408	70	20	DEID	
COc1cccc(NC(=O)c2ccc(S(=O)(=O)F)cc2)n1	864243978	HGTATZGUHOGMPG-UHFFFAOYSA-N	310.306	2.001	70	20	DEID	
O=S(=O)(F)c1ccc(N[C@@H](C2CCC2)[C@H]2CCOC2)nc1	1550638699	FOSPASWPOPLUJB-FZMZJTMJSA-N	314.382	2.357	70	20	DEID	
Cc1cc(NC(=O)c2cccc(S(=O)(=O)F)c2)ccc1N	1579634647	CNRZQWZVRRMXPV-UHFFFAOYSA-N	308.334	2.488	70	20	DEID	
Cc1nn(-c2ccccc2)c(C)c1C(=O)N[C@@H]1CCC[C@@H](N)C1	161163584	WADGWYSANRMNLV-HUUCEWRRSA-N	312.417	2.489	70	20	DEID	
C[C@]1(c2ccc(F)cc2F)NC(=O)N(Cc2nccs2)C1=O	161263572	NJVNULDMLBUSPG-CQSZACIVSA-N	323.324	2.389	70	20	DEID	
Cc1nc(N2CCN(C(=O)N[C@H](C)C3CC3)CC2)sc1C	161265490	SUWWTTACLRAQPY-LLVKDONJSA-N	308.451	2.390	70	20	DEID	
CCC(CC)(CN)C(=O)N1CCC[C@H]1c1c(C)nn(C)c1C	161290527	YUQFSOUTHXBUSJ-AWEZNQCLSA-N	306.454	2.466	70	20	DEID	
Cc1ccc(S(=O)(=O)NC[C@H](O)c2cccc(F)c2)c(C)c1	160033445	NDFVLUIQHNLWGJ-HNNXBMFYSA-N	323.389	2.454	70	20	DEID	
NC[C@H]1CCCN1C(=O)c1csc(CCc2ccccc2)n1	160259610	CZEWHGBXIGULAO-CQSZACIVSA-N	315.442	2.492	70	20	DEID	
CC(C)n1ccnc1CN1CCN(c2ccc(O)cc2)CC1	160674032	PQZVOHQURWQTIG-UHFFFAOYSA-N	300.406	2.492	70	20	DEID	
COC(=O)C[C@@H]1CSCCN1C(=O)C[C@H](C)c1ccncc1	160755077	DTUJWQRBIZXJIM-GXTWGEPZSA-N	322.430	2.082	70	20	DEID	
CCCc1nnc(NC(=O)c2cccc3c2oc(=O)n3C)s1	160755906	CNNFEXMIERFWLF-UHFFFAOYSA-N	318.358	2.188	70	20	DEID	
COc1ccc(CCCNC(=O)N2CCC[C@@](C)(O)C2)cc1	160774105	ZDUMCVOWHLWHHF-QGZVFWFLSA-N	306.406	2.184	70	20	DEID	
Cc1cccc(-c2nc(CC(=O)N3CCCNCC3)cs2)c1	160873522	YRFWMBHBGKFRBG-UHFFFAOYSA-N	315.442	2.483	70	20	DEID	
C[C@H](Cc1ccccc1Cl)C(=O)N[C@H](C)[C@@H]1CN(C)CCO1	160873661	PHWYEHNKMMTGRE-IOASZLSFSA-N	324.852	2.354	70	20	DEID	
Cc1ccc([C@H](O)CNS(=O)(=O)c2ccc(F)c(C)c2)cc1	159438950	MEOGXZBZXRGRBS-MRXNPFEDSA-N	323.389	2.454	70	20	DEID	
Cc1nc(CNC(=O)N(CCN(C)C)C2CCCC2)cs1	159575483	HWJNDVLRMHXDBV-UHFFFAOYSA-N	310.467	2.467	70	20	DEID	
O=[N+]([O-])c1cccc(CS(=O)(=O)Cl)c1Br	236019175	KDFVACJAYLEONL-UHFFFAOYSA-N	314.544	2.426	70	20	DEID	
CSCC[C@@H](N)C(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1F	161022491	XNBMUAPFLJNRMQ-XXILOJSOSA-N	300.374	2.017	70	20	DEID	
O=C([C@@H]1CCn2ccnc2C1)N1CCC(OC2CCCC2)CC1	161089409	UGQRYVQQKATGFM-CQSZACIVSA-N	317.433	2.396	70	20	DEID	
C[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)CCCC(=O)N(C)C	161263001	CFLGXZHKSXDBHL-LBPRGKRZSA-N	322.380	2.162	70	20	DEID	
CCOc1ccccc1CCNC(=O)[C@@H]1CCn2ccnc2C1	161283617	VQFCKSOZAOCBMC-OAHLLOKOSA-N	313.401	2.203	70	20	DEID	
CNC(=O)c1ccc(NC(=O)NCC(C)(C)[C@@H](O)C(C)C)cc1	161293006	HQGVLKZSNFZYJO-AWEZNQCLSA-N	321.421	2.211	70	20	DEID	
COc1ccc2nc(C)cc(C(=O)NC[C@@H]3CCN(C)C3)c2c1	161308375	RTNAPRCSYSYHRO-ZDUSSCGKSA-N	313.401	2.233	70	20	DEID	
FC(F)c1nnc2ccc(N[C@@H]3CCO[C@H](C4CC4)C3)nn12	160287112	WSNATFWKZDUKMX-ZJUUUORDSA-N	309.320	2.431	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)c1cccc(-c2nnc(C)o2)c1	160325978	CXJQLVLHWLJDPN-JTQLQIEISA-N	317.345	2.117	70	20	DEID	
CCCN(CCC)C(=O)C(=O)Nc1cc(C(=O)OC)cs1	160456856	ABGAXZGYGPVZAU-UHFFFAOYSA-N	312.391	2.122	70	20	DEID	
COCCCCCNC(=O)c1cnn(C2CCOCC2)c1C	160458422	OZPNREANQSUSBG-UHFFFAOYSA-N	309.410	2.090	70	20	DEID	
C[C@]1(O)CCCN(C(=O)NCCCOCCc2ccccc2)C1	160699273	HNNZLNZUAWHHSG-SFHVURJKSA-N	320.433	2.192	70	20	DEID	
COC(=O)c1csc(NC(=O)N[C@@H]2CCC[C@]2(C)CO)c1	160722657	LAXXZCXBQRQMBD-QMTHXVAHSA-N	312.391	2.207	70	20	DEID	
O=C(NC[C@@H]1Cc2ccccc21)N1CCCN(CC(F)F)CC1	160828639	JYKQGFWDYXLUEN-AWEZNQCLSA-N	323.387	2.309	70	20	DEID	
Cc1nn(CC(C)C)c(C)c1CCC(=O)NC[C@@H](C)CCO	160957410	NGILVYMUOIRCLM-ZDUSSCGKSA-N	309.454	2.223	70	20	DEID	
CC(=O)N1CC[C@@H](NC(=O)[C@@H](C)CCc2ccccc2F)C1	159443717	JEMIMLOLARDULJ-SWLSCSKDSA-N	306.381	2.131	70	20	DEID	
O=C(CC1C[C@H]2CC[C@H](C1)N2)Nc1cnn(CC(F)(F)F)c1	159699093	YWCCSSKIJKMVSJ-GHMZBOCLSA-N	316.327	2.305	70	20	DEID	
CC(=O)Nc1ccc(S(=O)(=O)CCc2c(C)noc2C)cc1	159990612	SQRPQOLMRNJKFK-UHFFFAOYSA-N	322.386	2.266	70	20	DEID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)c1noc2c1CCCC2	123044199	ZUIUBJCXJROVHW-UHFFFAOYSA-N	324.333	2.464	70	20	DEID	
CCc1cccc2c1N(C(=O)c1cc(S(=O)(=O)F)c[nH]1)CC2	1262732387	GDAHETBAIWKVOY-UHFFFAOYSA-N	322.361	2.438	70	20	DEID	
COC[C@@H](O)CCNC(=O)[C@@H](C)Oc1ccc(C(C)C)c(C)c1	161002172	BKCQLTWFRGHSDC-CABCVRRESA-N	323.433	2.399	70	20	DEID	
CN(C)[C@@H](CNC(=O)c1cccc(F)n1)c1cccc(F)c1	161087137	SEXYKEUHLANNSV-AWEZNQCLSA-N	305.328	2.393	70	20	DEID	
CCCC(O)(CCC)CC(=O)NCCC(=O)N1CCCCC1	160096840	ZUBBNDZBJGXBNL-UHFFFAOYSA-N	312.454	2.227	70	20	DEID	
COC[C@@H](O)CCNC(=O)Nc1cccc(COC(C)C)c1	160254333	PFAYHTRWKQJBBU-HNNXBMFYSA-N	310.394	2.131	70	20	DEID	
Cc1conc1NC(=O)C(=O)N1CCC[C@H]1c1ccsc1	160438701	VXIOSNWIKUJKJJ-NSHDSACASA-N	305.359	2.347	70	20	DEID	
CCOc1cc(CN2CCNC(=O)C2)ccc1OCC(C)C	160513855	ASSWKQLLPLYEFH-UHFFFAOYSA-N	306.406	2.052	70	20	DEID	
CNC(=O)COc1cccc(CC(=O)N2CCCCCCC2)c1	159633740	SKNNHDZMDIZFKJ-UHFFFAOYSA-N	318.417	2.147	70	20	DEID	
Cc1cc(NC(=O)C(=O)N2CCC3(CCC3)C2)ccc1N(C)C	159455763	CFQDAGDEVPSMKY-UHFFFAOYSA-N	315.417	2.402	70	20	DEID	
C[C@@H](O)CCN(C)[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O	159678279	YLOZFTKVFYNKTA-QMTHXVAHSA-N	314.788	2.287	70	20	DEID	
CO[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1cccc(C(F)F)c1	159900971	DSZDUQAFIONEKE-VXGBXAGGSA-N	312.316	2.246	70	20	DEID	
O=C(Nc1cccc2nonc12)c1cccc(S(=O)(=O)F)c1	1337486032	JNWIHXCSEDIDRL-UHFFFAOYSA-N	321.289	2.133	70	20	DEID	
C[C@H](C#N)N(C(=O)CCc1ccc(S(=O)(=O)F)cc1)C1CC1	1340775451	BKNWYZRDKYPJFR-LLVKDONJSA-N	324.377	2.180	70	20	DEID	
CN(C)CCc1ccc(NC(=O)[C@H]2CCn3ccnc3C2)cc1	161338524	HVBONEQDRKDARQ-HNNXBMFYSA-N	312.417	2.188	70	20	DEID	
CC[C@H](COC)NS(=O)(=O)c1ccc(OC)c(C)c1C	160319020	QOZDFTLBTMIDCG-GFCCVEGCSA-N	301.408	2.015	70	20	DEID	
CCOc1ccccc1OCCCC(=O)N1CCC[C@@H]1CN	160377952	GLUAKNMSODLOFC-CQSZACIVSA-N	306.406	2.194	70	20	DEID	
C[C@@H](Sc1ccccc1)C(=O)NC[C@@H](O)CN1CCCCC1	160531290	UAGBGGFNIGEAGM-HUUCEWRRSA-N	322.474	2.130	70	20	DEID	
CC(C)OCCNC(=O)Nc1ccc(-c2ncn(C)n2)cc1	160811000	LOBHFVBWZWOWJS-UHFFFAOYSA-N	303.366	2.029	70	20	DEID	
O=C(NC[C@H](O)c1ccsc1)[C@@H]1CC(c2ccccc2)=NO1	159663367	FZEOQSNOUVPCRG-GJZGRUSLSA-N	316.382	2.091	70	20	DEID	
CC(C)[C@@H](CNC(=O)c1cccc(=O)n1C)Nc1ccccc1	159556145	SEPILZCACGTVID-OAHLLOKOSA-N	313.401	2.252	70	20	DEID	
Cc1ccccc1Cc1nnc(CN2CCCC[C@@H]2CO)o1	159993457	FMDZKXWLBWDENP-OAHLLOKOSA-N	301.390	2.316	70	20	DEID	
CCc1noc(C)c1C(=O)Nc1ccc(S(=O)(=O)F)cc1	460093142	NPPQBJSRFUBGTI-UHFFFAOYSA-N	312.322	2.456	70	20	DEID	
CCOC(=O)[C@@](C)(CCS(=O)(=O)F)C(=O)c1cccs1	883954565	RGSDROFTSZWKSS-LBPRGKRZSA-N	322.379	2.190	70	20	DEID	
CS[C@H](C)CC(=O)N1CCN(C(=O)c2cc(C)oc2C)CC1	161068617	ZIMAMKAIGLDUKD-GFCCVEGCSA-N	324.446	2.322	70	20	DEID	
CCc1n[nH]c(-c2ccccc2NC(=O)[C@H](C)CC(=O)OC)n1	161100986	QTHQYIOYKFQGLG-SNVBAGLBSA-N	316.361	2.172	70	20	DEID	
CSC[C@H](CCO)NC(=O)Nc1ccn(CCC(C)C)n1	161164426	PZRZXIYSVXPTMB-LBPRGKRZSA-N	314.455	2.165	70	20	DEID	
Cc1cc(C[C@@H](C)NC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)n[nH]1	161349684	CHEAFXRWRGXSCI-BKQLOGFTSA-N	303.406	2.161	70	20	DEID	
CC[C@H](C(=O)N1CCN(Cc2ccccc2Cl)CC1)N(C)C	161385284	BYCQJWFWXGQLIW-MRXNPFEDSA-N	323.868	2.324	70	20	DEID	
CN(C[C@@H]1CCC[C@@H]1O)C(=O)N[C@@H](CCCO)c1ccccc1	161474394	AUTFRDXKBWYLPZ-ULQDDVLXSA-N	320.433	2.303	70	20	DEID	
CCOCC(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1	160547051	UOZUDSTTXVWZID-UHFFFAOYSA-N	316.323	2.391	70	20	DEID	
COC[C@@H](N[C@H](CN1CCCC1=O)c1ccccc1)C1CC1	160793575	XDWLHGHVBRQKKK-IAGOWNOFSA-N	302.418	2.365	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)c1ccc(NC(=O)C(C)C)cc1	160798716	NAODPCGCJHJUCL-LBPRGKRZSA-N	320.389	2.353	70	20	DEID	
COC(CN1CCCC[C@H]1[C@@H](C)NC(=O)OC(C)(C)C)OC	160831673	UMQIMQFLDWGXJR-OLZOCXBDSA-N	316.442	2.373	70	20	DEID	
CCC1CCC(CNC(=O)C(=O)Nc2ccc(F)nc2)CC1	160855155	JCIAIXFKMHBVPF-UHFFFAOYSA-N	307.369	2.492	70	20	DEID	
CC1(NS(=O)(=O)c2cccc(Cl)c2F)CCOCC1	160989103	HDOOZCRCZRWJMN-UHFFFAOYSA-N	307.774	2.327	70	20	DEID	
CNC(=O)COc1cccc(CC(=O)N[C@@H]2CCCC[C@H]2C)c1	159635799	UKGSDTVQRJUABM-CZUORRHYSA-N	318.417	2.049	70	20	DEID	
NC(=O)[C@@H]1CCCCN1C(=O)c1cccc(Cl)c1Cl	159861454	DDLIKYDJVFXVFK-JTQLQIEISA-N	301.173	2.473	70	20	DEID	
COC(=O)C1(N(C)Cc2ccc(-n3ccnc3)nc2)CCCC1	159497531	UFYCQSOXBKHLOE-UHFFFAOYSA-N	314.389	2.185	70	20	DEID	
Cc1cccc(C)c1-n1nnnc1SCCn1ccnc1	159724769	GYWQNJSIYWCAIU-UHFFFAOYSA-N	300.391	2.268	70	20	DEID	
CC(C)(C)c1cc(NC(=O)N2CCC[C@@H](CC(N)=O)C2)no1	159386528	OYCKUBQSEWEAPZ-JTQLQIEISA-N	308.382	2.091	70	20	DEID	
CC[C@@H]1CC[C@@H](C(=O)Nc2cccc(S(=O)(=O)F)c2)O1	460093460	NYJISGSAZKEYLK-PWSUYJOCSA-N	301.339	2.241	70	20	DEID	
Cc1ccc(NC(=O)[C@H]2CO[C@@H](C)C2)cc1S(=O)(=O)F	857675105	BCSCOTAMIBBBKL-VHSXEESVSA-N	301.339	2.017	70	20	DEID	
CC(C)(C#N)C(=O)Nc1ccc(F)c(CS(=O)(=O)F)c1	876318163	ONXAXKKWSOZIGP-UHFFFAOYSA-N	302.302	2.113	70	20	DEID	
Cc1ncsc1CNC(=O)c1cccc(S(=O)(=O)F)c1	1338391221	WUWZJURQYKTIHC-UHFFFAOYSA-N	314.363	2.040	70	20	DEID	
O=C(Nc1cc(F)cc(F)c1)c1cc(S(=O)(=O)F)c[nH]1	1354031690	JOJXUUVZSNJKDS-UHFFFAOYSA-N	304.249	2.203	70	20	DEID	
Cc1c([C@H](C)NCC(=O)NC(C)C)cnn1-c1ccc(F)cc1	161000887	PCQVCZOIABAPDW-LBPRGKRZSA-N	318.396	2.495	70	20	DEID	
O=C(C[C@H]1CSCCS1)N1CCC[C@H](c2ccn[nH]2)C1	161508344	NKJRBSXWTWSSGV-RYUDHWBXSA-N	311.476	2.354	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)Cc1csc(C(C)(C)C)n1	160443693	IGKXCJHXZARKAV-SNVBAGLBSA-N	312.435	2.441	70	20	DEID	
O=C(CN[C@@H]1CCCOc2ccc(F)cc21)NCC(F)(F)F	160539957	OPKNYAOBHDHIOU-LLVKDONJSA-N	320.286	2.308	70	20	DEID	
CC[C@](C)(NC(=O)N[C@H](C)Cn1ccnc1)c1nccs1	160795750	QVFWORCQWSYNHV-RISCZKNCSA-N	307.423	2.353	70	20	DEID	
COC[C@H](NC(=O)Nc1ccc(Cn2cccn2)cc1)C1CC1	159624634	CTUJRPXOGMAREW-INIZCTEOSA-N	314.389	2.478	70	20	DEID	
Cc1ccc(-c2nc(C(=O)NCCn3cccn3)cs2)n1C	159727932	VHDPMWPOMCTAFD-UHFFFAOYSA-N	315.402	2.084	70	20	DEID	
COc1cccc2c1CC[C@@H]2NC(=O)c1c(C)nn(C)c1OC	159929683	RNURGFWNDSDWKW-ZDUSSCGKSA-N	315.373	2.163	70	20	DEID	
O=C(COc1ccc(F)cc1)N1CCC(NCC2CC2)CC1	159733206	WJONQBNXHCFBDE-UHFFFAOYSA-N	306.381	2.195	70	20	DEID	
COC[C@H](O)CCNC(=O)[C@@H](C)Sc1ccc(Cl)cc1	161122691	UPHWBJVSOBWMEZ-ZYHUDNBSSA-N	317.838	2.334	70	20	DEID	
COC1(CNC(=O)C[C@@H](C)c2c(C)noc2C)CCOCC1	161045453	IWRBCZBCTCYYIU-LLVKDONJSA-N	310.394	2.097	70	20	DEID	
Cc1nc(O)ccc1C(=O)NCCCCNc1ccccn1	161431065	DTDILDTTZZAJOL-UHFFFAOYSA-N	300.362	2.113	70	20	DEID	
C[C@@H](Cc1ccccc1F)C(=O)N(C)CCN1CCCC1=O	160002702	UNBGYCMZZSLWQT-ZDUSSCGKSA-N	306.381	2.085	70	20	DEID	
COc1ccc(C)cc1[C@@H](C)NC(=O)C(=O)Nc1nocc1C	160081538	ZUOZPTICYTUFJQ-LLVKDONJSA-N	317.345	2.116	70	20	DEID	
O=C(NC[C@@H](O)CN1CCCCC1)c1cc2ccccc2s1	160147988	GPHWCSLOZFWRRO-CQSZACIVSA-N	318.442	2.478	70	20	DEID	
CC1=NN(CC(C)C)C(=O)[C@H]1C(=O)Nc1ccc(F)cc1F	160162132	GQLMCUGERDHQGT-CYBMUJFWSA-N	309.316	2.394	70	20	DEID	
CCc1nn(C)c(CC)c1CNC(=O)N(C)CC1CCOCC1	160262640	BNFJKHBDITVIMC-UHFFFAOYSA-N	322.453	2.113	70	20	DEID	
CCc1ncsc1C(=O)Nc1n[nH]c2c1c(CC)nn2C	160274878	VQJKGUXVIFAZRF-UHFFFAOYSA-N	304.379	2.130	70	20	DEID	
Cc1cc(C(=O)Nc2ccccc2-n2ccc(C(N)=O)n2)oc1C	160558127	ZRKHINMOZCXOBR-UHFFFAOYSA-N	324.340	2.433	70	20	DEID	
O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)N1CCC[C@H](CO)C1	160745580	XXSFLJRSWKBTBF-BHYGNILZSA-N	318.417	2.321	70	20	DEID	
CC(=O)N1CC[C@@H](NC(=O)C[C@H](C)Cc2cccc(F)c2)C1	159851700	LJAPKILWIAKJQC-MLGOLLRUSA-N	306.381	2.131	70	20	DEID	
COc1ccc(C[C@@H](C)CN(C)C(=O)[C@]2(O)CCSC2)cc1	159520055	VLFANGFPQXCQRR-DYVFJYSZSA-N	323.458	2.200	70	20	DEID	
Cc1cc(C)n([C@@H](C)C(=O)NCCNC2CCCCCC2)n1	159726776	QDAKSDZFPJSPHD-HNNXBMFYSA-N	306.454	2.490	70	20	DEID	
CCO[C@H]1CCCN(C(=O)c2ccc3c(c2)CCC(=O)N3C)C1	159939916	ABYAKWGZBZOVLU-HNNXBMFYSA-N	316.401	2.237	70	20	DEID	
O=C(CCOC[C@@H]1CCCO1)NCCc1cc2ccccc2[nH]1	159543997	FWONWPCTWXIFQY-INIZCTEOSA-N	316.401	2.412	70	20	DEID	
O=C(N[C@@H]1CCC[C@@H]2OCC[C@@H]21)c1ccc(N2CCCC2)nc1	159778967	DLJURLLYVPKGNK-OAGGEKHMSA-N	315.417	2.369	70	20	DEID	
CCN1CCCN(C(=O)NC[C@@H](OC)c2ccccc2)CC1	159588551	JWDGRLXHUTVVAZ-MRXNPFEDSA-N	305.422	2.111	70	20	DEID	
Cc1ccc(NC(=O)[C@@H]2CCO[C@H](C)C2)cc1S(=O)(=O)F	857675203	GDWMZGNLRWHATF-GHMZBOCLSA-N	315.366	2.407	70	20	DEID	
CCSCCCNC(=O)c1cccc(S(=O)(=O)F)c1	1121185538	SSMBEWYZEQUNAA-UHFFFAOYSA-N	305.396	2.218	70	20	DEID	
C[C@H]1C[C@@H]1CNc1ccc([N+](=O)[O-])cc1CS(=O)(=O)F	881807834	FYYCELFXKHYBRS-DTWKUNHWSA-N	302.327	2.462	70	20	DEID	
COCCCCNc1ccc([N+](=O)[O-])cc1CS(=O)(=O)F	881810658	GMQBLEOTASAJJU-UHFFFAOYSA-N	320.342	2.233	70	20	DEID	
C[C@@H]1CC[C@H](CNC(=O)Cc2ccc(S(=O)(=O)F)cc2)C1	1340722473	MZRFNCAYGYWZEH-YPMHNXCESA-N	313.394	2.440	70	20	DEID	
COC(=O)c1ccc(S(=O)(=O)Cl)cc1OC(F)(F)F	100455852	IKEVURCCPQHHLG-UHFFFAOYSA-N	318.656	2.299	70	20	DEID	
Cc1ccc(S(N)(=O)=O)c(C(=O)N2CC[C@H](C)C[C@@H](C)C2)c1	160048472	PYNGBUROBXBNEA-QWHCGFSZSA-N	324.446	2.151	70	20	DEID	
CC(C)OC(=O)CCCNC(=O)N1C[C@@H](C)S[C@H](C)C1	160109455	AFRZBHIGJYVNFQ-VXGBXAGGSA-N	302.440	2.254	70	20	DEID	
C[C@@H](O)CCN(C)C(=O)Cc1ccc(Br)c(F)c1	160128414	NLWGCDKHXPWMBX-SECBINFHSA-N	318.186	2.360	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)[C@H]1SCCc2ccccc21	160234584	OLKIKUHBNQCRCD-ABAIWWIYSA-N	307.415	2.475	70	20	DEID	
CC(C)[C@H](O)C(C)(C)CNC(=O)N[C@@H]1CCO[C@H](C2CC2)C1	160436915	HLFNASMNCRPXAG-ILXRZTDVSA-N	312.454	2.286	70	20	DEID	
CC[C@H](NC(=O)Nc1ccc(-n2cccn2)nc1)[C@H]1CCCO1	160935694	GNDLBHSIGYZWBU-UONOGXRCSA-N	315.377	2.346	70	20	DEID	
COCCOc1cccc(CC(=O)NCC(C)(C)C[C@H](C)O)c1	159692983	CSWQKTUONVJPEQ-AWEZNQCLSA-N	323.433	2.168	70	20	DEID	
CC(C)NC(=O)CCNC(=O)Cc1c[nH]c2ccc(Cl)cc12	159528381	PDHUGENWKCZCBR-UHFFFAOYSA-N	321.808	2.395	70	20	DEID	
C[C@@H](NCCCN1CCCC1=O)c1ccc([S@](C)=O)cc1	159539093	HMRKYRDIOHIHHD-LRTDBIEQSA-N	308.447	2.087	70	20	DEID	
CN(CC1CCOCC1)C(=O)Nc1nnc(C(F)F)s1	159930353	PAMVCGLLLMYBDG-UHFFFAOYSA-N	306.338	2.366	70	20	DEID	
CN(Cc1ccc(O)cc1)S(=O)(=O)C1Cc2ccccc2C1	159599702	MKUGUPZLLPDQHO-UHFFFAOYSA-N	317.410	2.321	70	20	DEID	
CC(C)CC(=O)COC(=O)c1cccc(S(=O)(=O)F)c1	1334331282	RJYMVFBRNNGDMA-UHFFFAOYSA-N	302.323	2.117	70	20	DEID	
O=C(Cc1ccc(S(=O)(=O)F)cc1)N[C@H]1CCC(F)(F)C1	1338765152	KCXQDSJZZCXZNJ-JTQLQIEISA-N	321.320	2.191	70	20	DEID	
O=C1N[C@H](CCc2ccccc2)C(=O)N1Cc1nccs1	161131235	WERFKCZUZCCESP-GFCCVEGCSA-N	301.371	2.196	70	20	DEID	
C[C@H](NC(=O)Nc1cc(F)cc(Cl)c1)[C@H]1CN(C)CCO1	161213160	YJODOYFCZRGAIE-TVQRCGJNSA-N	315.776	2.320	70	20	DEID	
Cc1ccc(C)c(NC(=O)CN2CCN(c3ccncc3)CC2)c1	161298013	YCWCUBLDJVBLLQ-UHFFFAOYSA-N	324.428	2.459	70	20	DEID	
CC[C@@](C)(O)CNC(=O)Nc1ccc(O[C@H]2CCOC2)cc1	160137553	RSFGZEUOVVULDR-GOEBONIOSA-N	308.378	2.137	70	20	DEID	
COC[C@@H](C)NC(=O)NC[C@@H](C)COc1ccccc1OC	160570868	FBHXLNTYLZKVHI-CHWSQXEVSA-N	310.394	2.044	70	20	DEID	
O=C(N[C@@H]1CCO[C@H](C2CC2)C1)N1CCC[C@@H](c2ncc[nH]2)C1	160652063	VWSZLSDOXPEZHT-KFWWJZLASA-N	318.421	2.256	70	20	DEID	
CCN(CC)CCNC(=O)NCC1(c2cccc(F)c2)CC1	160842879	ZBTLNWMHPRHSRJ-UHFFFAOYSA-N	307.413	2.498	70	20	DEID	
CC(C)C[C@@H](CO)NC(=O)NC[C@H]1CCCCN1CC(C)C	160962278	MYKDFFFIJKBRBE-JKSUJKDBSA-N	313.486	2.203	70	20	DEID	
CCS(=O)(=O)c1cccc(CC(=O)Nc2cnccc2C)c1	159806529	NAJVUHOOUUZPPA-UHFFFAOYSA-N	318.398	2.365	70	20	DEID	
CC[C@@H](NC(=O)Nc1cccc(C(=O)NC)c1)[C@H]1CCCO1	159872110	HYCXBBFQXDNLFY-ZIAGYGMSSA-N	305.378	2.125	70	20	DEID	
CC[C@@]1(C)C[C@H]1C(=O)N1CCN(C(=O)c2cccs2)CC1	159884617	LGTZVOVQGRGRAU-LRDDRELGSA-N	306.431	2.469	70	20	DEID	
CN(CC[C@@H]1CCCCN1C)C(=O)NCCc1cscn1	159370115	RKNCZGPCYBCQFJ-AWEZNQCLSA-N	310.467	2.201	70	20	DEID	
CC(=O)Nc1cccc(NC(=O)c2cnc3c(c2)ncn3C)c1	159997106	MHMSNLYJQUJFPS-UHFFFAOYSA-N	309.329	2.179	70	20	DEID	
O=C(NCc1ccc(Cl)s1)c1cc(S(=O)(=O)F)c[nH]1	1336406737	PVXWMBNHKIIAHU-UHFFFAOYSA-N	322.770	2.318	70	20	DEID	
O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1cc(S(=O)(=O)F)c[nH]1	1348696873	VKRBMGMDWKOAJU-HBNTYKKESA-N	314.382	2.372	70	20	DEID	
O=C(NC1(CCS(=O)(=O)Cl)CC1)OCc1ccccc1	219109436	UQOXHIQZIBVZAL-UHFFFAOYSA-N	317.794	2.404	70	20	DEID	
O=S(=O)(F)c1ccc(NC[C@@H]2C[C@H]3CCC[C@@H]3O2)nc1	1550640475	CHDLWMXCEODKJF-SCVCMEIPSA-N	300.355	2.109	70	20	DEID	
CC[C@H]1CCCCN1C(=O)[C@H](C)N(CC)Cc1cnn(C)c1	161071569	MYVSLLHZQPZQJA-HOCLYGCPSA-N	306.454	2.422	70	20	DEID	
Cc1cccc(NC(=O)C(=O)N[C@@H](C)C2CCOCC2)c1C	161081378	RACBMHMPTUAKHU-ZDUSSCGKSA-N	304.390	2.173	70	20	DEID	
Cc1conc1NC(=O)C(=O)N[C@H](C)c1cccc(C)c1C	161219235	YIPNTQWKSOJVSB-GFCCVEGCSA-N	301.346	2.416	70	20	DEID	
CCOC(=O)C[C@@H](C)CNC(=O)N1CCc2cccc(F)c2C1	160332433	KHYXJSQGQAXKCM-GFCCVEGCSA-N	322.380	2.483	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)CCn1ccc2ccccc21	160536460	FDMVEIKZBSRCKF-CYBMUJFWSA-N	302.374	2.489	70	20	DEID	
CC(C)(C)S(=O)(=O)CC(=O)NCc1cc2ccccc2o1	160661036	WTXDDMOUMOWGRP-UHFFFAOYSA-N	309.387	2.262	70	20	DEID	
N[C@H]1CCC[C@@H](NC(=O)CCc2nc(-c3cccs3)no2)C1	160898646	HCHWDCKBKPXSOV-WDEREUQCSA-N	320.418	2.117	70	20	DEID	
Cc1nn(C(F)F)c(C)c1CC(=O)N(C)Cc1cccn1C	160988009	CHJBFALCDMIHQA-UHFFFAOYSA-N	310.348	2.435	70	20	DEID	
CCN1CCCN(C(=O)NCCc2sc(C)nc2C)CC1	159836269	IBDRDAGMXLHLNQ-UHFFFAOYSA-N	310.467	2.040	70	20	DEID	
O=C(CS(=O)(=O)c1cccc(C(F)(F)F)c1)[C@@H]1CCOC1	159490519	PEWMCRMKIMDSKZ-SECBINFHSA-N	322.304	2.085	70	20	DEID	
c1cn(CCN2CCC[C@H](c3nnc4n3CCCCC4)C2)cn1	159740714	XEYMFVFLTCEIED-HNNXBMFYSA-N	314.437	2.081	70	20	DEID	
O=C(Nc1cccc(S(=O)(=O)F)c1)c1ocnc1C1CC1	460097914	YEBXJNLXCVNWON-UHFFFAOYSA-N	310.306	2.463	70	20	DEID	
Cc1ccc(NC(=O)[C@H]2CCCCO2)cc1S(=O)(=O)F	857675719	YSLSMIMUOSGKNC-LLVKDONJSA-N	301.339	2.161	70	20	DEID	
O=C(OCCCCCCO)c1cccc(S(=O)(=O)F)c1	1333519043	JPNQSVXVBCTUOD-UHFFFAOYSA-N	304.339	2.054	70	20	DEID	
COc1c(C)cc(S(=O)(=O)NC2(C)CCOCC2)cc1C	161002124	LPEFWHSRNIGIPZ-UHFFFAOYSA-N	313.419	2.159	70	20	DEID	
CC(C)(O)CNS(=O)(=O)Cc1ccc(Cl)c(Cl)c1	161005782	ZWOHTOFNLWSVLL-UHFFFAOYSA-N	312.218	2.184	70	20	DEID	
O=C(NCCc1c(F)cccc1F)N[C@H]1CCc2[nH]ncc2C1	161224119	XOJGRUBWLCVUMQ-NSHDSACASA-N	320.343	2.087	70	20	DEID	
COCCOc1ccc(NC(=O)N[C@@]2(C)CCOC2)c(C)c1	161370603	SNVFGIAFQLTUPK-INIZCTEOSA-N	308.378	2.321	70	20	DEID	
O=C(NCc1ccc(O)c(F)c1)c1cccc(-n2ccnn2)c1	160313688	CRHQGPRBTKJSPZ-UHFFFAOYSA-N	312.304	2.042	70	20	DEID	
C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)N[C@@H]1CCCCC1(C)C	160442674	RJIXEWYHPRVENR-JHJVBQTASA-N	316.467	2.172	70	20	DEID	
CC(C)S(=O)(=O)CCCN1CCCN(c2ccccc2)CC1	160953017	DCBMLLZZRBUDGP-UHFFFAOYSA-N	324.490	2.412	70	20	DEID	
Cc1ccc(-n2ccnc2)c(C(=O)Nc2c[nH]c(=O)c(C)c2)c1	159660247	WXKMQQSQBYVTID-UHFFFAOYSA-N	308.341	2.430	70	20	DEID	
CCC[C@H]1CN(C(=O)NC[C@H]2Cc3ccccc3O2)CCO1	159671121	QMKPCFAQUIWMQJ-LSDHHAIUSA-N	304.390	2.201	70	20	DEID	
CC(C)CCOc1ccc(S(=O)(=O)NC[C@H](C)CO)cc1	159703835	JRCFZUOWXIGIKE-ZDUSSCGKSA-N	315.435	2.018	70	20	DEID	
CCN(CC)C(=O)CCC(=O)NCCNC1CCCCCC1	159712664	CRAXJEKAPGDAFG-UHFFFAOYSA-N	311.470	2.064	70	20	DEID	
Cc1ccc(F)cc1NC(=O)N(CCS(C)(=O)=O)C(C)C	159932923	RGGRPLYTNFTBJW-UHFFFAOYSA-N	316.398	2.421	70	20	DEID	
C[C@@H](Cc1ccc(O)cc1)NC(=O)c1cnc2c(c1)ncn2C	159981303	AKWVDXLCWRKJDP-NSHDSACASA-N	310.357	2.035	70	20	DEID	
CN(CCOCc1ccccc1)C(=O)CNC(=O)OC(C)(C)C	159502110	QJGLGZRKASXMPR-UHFFFAOYSA-N	322.405	2.186	70	20	DEID	
CCCCN(C)C(=O)NCCCN1C(=O)c2ccccc2C1=O	217306199	LDZQXZZUYCSDRC-UHFFFAOYSA-N	317.389	2.114	70	20	DEID	
O=C(N[C@@H]1CCCC[C@H]1F)c1cccc(S(=O)(=O)F)c1	1129702709	YYNHJSABCRXQMF-VXGBXAGGSA-N	303.330	2.355	70	20	DEID	
Cc1cc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)ccc1F	1351023450	QUNMMZNDVUIRBX-UHFFFAOYSA-N	300.286	2.373	70	20	DEID	
COc1cc(F)c(C(=O)NCCc2ccccn2)cc1OC	161234562	HBACJNZKAHPRMH-UHFFFAOYSA-N	304.321	2.210	70	20	DEID	
C[C@@H](c1ccccc1F)N(C)C(=O)N[C@@H]1CCc2ncnn2C1	161325178	JXRDFPKTRGMEPR-NWDGAFQWSA-N	317.368	2.135	70	20	DEID	
C[C@]1(O)CCCN(C(=O)NCc2cccc(OC(F)F)c2)C1	161343634	QOYKWQVYQBNLHL-HNNXBMFYSA-N	314.332	2.344	70	20	DEID	
CCNC(=O)c1ccc(NC(=O)N[C@]2(C)CCOC2)c(C)c1	161412063	WMDVHIPDORIXDH-MRXNPFEDSA-N	305.378	2.045	70	20	DEID	
Cc1cccc([C@@H]2CCCN2CC(=O)NC(=O)NCC(C)C)n1	160009199	OCGGCHPLGSHITM-HNNXBMFYSA-N	318.421	2.009	70	20	DEID	
Cc1cccc([C@@H](O)CNC(=O)NCCCC(=O)OC(C)C)c1	160107778	URNDRDGBJKPVRE-HNNXBMFYSA-N	322.405	2.059	70	20	DEID	
Cc1nc2n(n1)C[C@@H](N[C@H](C)c1ccc3c(c1)OCCO3)CC2	160451994	VJNMZENUSIGUQX-RISCZKNCSA-N	314.389	2.023	70	20	DEID	
Cc1n[nH]c(SCC(=O)N[C@@H]2CCOC3(CCCCC3)C2)n1	160539069	AETYVROKRCNPBI-GFCCVEGCSA-N	324.450	2.203	70	20	DEID	
CCN(CC)CCC[C@@H](C)NC(=O)/C=C/c1cnn(C)c1C	160646605	UTQGRODLKFHPOM-PLSXKVAHSA-N	306.454	2.368	70	20	DEID	
COC(=O)[C@@](C)(NCc1noc(-c2ccsc2)n1)C1CC1	160939421	LIEQMHSKIXULKG-AWEZNQCLSA-N	307.375	2.229	70	20	DEID	
C[C@@H](C(=O)N1CCC[C@@H](N2CCCC2=O)C1)c1cccs1	159808650	CSQFEQKSDGSJII-CHWSQXEVSA-N	306.431	2.465	70	20	DEID	
COCc1cccc(NC(=O)C(=O)N2CCC3(CCC3)C2)c1	159435480	NFMBHCZXQTWFIX-UHFFFAOYSA-N	302.374	2.174	70	20	DEID	
CC(C)CC(=O)NCCC(=O)N1CCC[C@@H]1c1ccncc1	159635126	RVTKOZAEBLTRJG-OAHLLOKOSA-N	303.406	2.298	70	20	DEID	
CCCOc1cccc(CCNC(=O)Cc2cc(C)[nH]n2)c1	159732654	CVSBETCXBJNBDL-UHFFFAOYSA-N	301.390	2.408	70	20	DEID	
O=C(NCc1cccc2[nH]ccc12)c1cc(S(=O)(=O)F)c[nH]1	1262788097	SKGZOMHGRGMGMC-UHFFFAOYSA-N	321.333	2.084	70	20	DEID	
CN(C(=O)c1ccc(S(=O)(=O)F)cc1)c1cccc(C#N)c1	864240463	WUPZSNPQTVGXQK-UHFFFAOYSA-N	318.329	2.493	70	20	DEID	
CO[C@@H]1CCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	1339084624	DXRGHJPXRLXZID-MWLCHTKSSA-N	319.329	2.238	70	20	DEID	
Cn1nccc1CNC[C@@H]1CCCCN1C(=O)OC(C)(C)C	218240087	QIZJBBBXXKVNKU-AWEZNQCLSA-N	308.426	2.299	70	20	DEID	
O=C(NCCCF)C(=O)Nc1cccnc1-c1ccccc1	161101768	KLYAMPOSAVUKMO-UHFFFAOYSA-N	301.321	2.163	70	20	DEID	
Cc1noc(C)c1C[C@@H](C)NC(=O)N(C)Cc1cccn1C	161162283	SNSDEMDOOPDICL-LLVKDONJSA-N	304.394	2.403	70	20	DEID	
CSCC[C@@H](N)C(=O)NC[C@H]1CCCO[C@@H]1C(C)(C)C	161178755	MLXVZQRAVRIYEW-UPJWGTAASA-N	302.484	2.024	70	20	DEID	
CC(C)Oc1ncccc1NC(=O)NCCCNC(=O)C(C)C	161240446	WXYUNELQJBMMJL-UHFFFAOYSA-N	322.409	2.153	70	20	DEID	
COC(=O)N[C@H](C(=O)N[C@@H]1CCc2c(OC)cccc21)C(C)C	160031462	JVXYMUZYHJJREB-HIFRSBDPSA-N	320.389	2.179	70	20	DEID	
C[C@H]1CCC[C@@H]1NC(=O)N1CCN(Cc2ccccn2)CC1	160079204	MHZXFNJKYWRVQX-HOCLYGCPSA-N	302.422	2.097	70	20	DEID	
CCOCCC1(CNC(=O)c2ccc(C(N)=O)s2)CCC1	160625763	LVJKTDUHGOXYFG-UHFFFAOYSA-N	310.419	2.174	70	20	DEID	
O=C(CCc1ccoc1)NC1CCN([C@@H]2CCCC[C@H]2O)CC1	160655556	ZTDDBXUGKBHNGG-IAGOWNOFSA-N	320.433	2.096	70	20	DEID	
COCCN(CCO)C(=O)CCSc1ccc(C)c(C)c1	160657967	OUDPNHVCSPHNGJ-UHFFFAOYSA-N	311.447	2.253	70	20	DEID	
CCC(CC)(CO)CNC(=O)Nc1ccc(-n2cccn2)nc1	160779404	NVGFNEHESYVGER-UHFFFAOYSA-N	317.393	2.188	70	20	DEID	
C[C@H](CC(=O)c1cccs1)NC(=O)CCCNC(=O)C1CC1	160978517	NPGDAPJYXPZSPS-LLVKDONJSA-N	322.430	2.132	70	20	DEID	
CCOc1cc(Cl)ccc1CNS(=O)(=O)N(C)CC	159978472	KQNGCNJCUHZEJY-UHFFFAOYSA-N	306.815	2.025	70	20	DEID	
COc1ccccc1CS(=O)(=O)CCc1c(C)noc1C	159604975	FIMHWOUGVGHHJF-UHFFFAOYSA-N	309.387	2.458	70	20	DEID	
CN(C)c1cc(C(F)(F)F)nc(N2CCOC[C@H]2C2CC2)n1	159635318	PXDDSSVCCPSRJL-JTQLQIEISA-N	316.327	2.177	70	20	DEID	
CCCC1(CNC(=O)NCc2c(CC)c(CC)n[nH]c2=O)CC1	159872648	QCRMUOPQSAZBRX-UHFFFAOYSA-N	320.437	2.274	70	20	DEID	
COC(=O)N(C)CCCC(=O)N[C@H]1CCc2c(OC)cccc21	159890121	MVYAKLNRSVQLHA-AWEZNQCLSA-N	320.389	2.277	70	20	DEID	
Cc1cc([C@](C)(O)CNC(=O)c2cccc3[nH]cnc23)c(C)o1	159759600	GTNIZDULSQQMPN-QGZVFWFLSA-N	313.357	2.410	70	20	DEID	
O=C(NCCCO[C@H]1CCOC1)c1cc(F)cc(Cl)c1O	159379039	VXAWZGSWWRJZNB-JTQLQIEISA-N	317.744	2.110	70	20	DEID	
Cc1ccc(-c2cncc(C(=O)NCCNC(=O)C3CC3)c2)cc1	159777312	CXVDKIBVOVUALL-UHFFFAOYSA-N	323.396	2.313	70	20	DEID	
COCCC[C@H](C)C(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	857674397	IPUVJLXSSZRHGC-VIFPVBQESA-N	321.345	2.485	70	20	DEID	
CC[C@@H](C#N)N(CC)C(=O)c1ccc(S(=O)(=O)F)cc1C	1518546982	FKNIGIZXOZXJJH-NSHDSACASA-N	312.366	2.418	70	20	DEID	
CCOCCSCCOc1cccc(S(C)(=O)=O)c1	161360789	UGQCSTZBHYMPCH-UHFFFAOYSA-N	304.433	2.239	70	20	DEID	
CCS(=O)(=O)c1ccc(C(=O)NCC2(C3CC3)CC2)cc1	160183661	MVVXJUKKOJJZCU-UHFFFAOYSA-N	307.415	2.400	70	20	DEID	
O=C1CC[C@@H]2CN(C(=O)Nc3ccccc3Cl)CC[C@H]2N1	160702831	SZGJEWGVOJYWDD-ZYHUDNBSSA-N	307.781	2.472	70	20	DEID	
CCc1ccc([C@@H](CNC(=O)NCC[C@H](O)CC)N(C)C)cc1	160744932	ZXWJBPSPPOWXJJ-IAGOWNOFSA-N	321.465	2.312	70	20	DEID	
COCCn1cc(NC(=O)Nc2ccn(CCC(C)C)n2)cn1	160774110	URXBJGSWGATGLA-UHFFFAOYSA-N	320.397	2.416	70	20	DEID	
COC(=O)c1[nH]c(C)c(C(=O)NCc2cc(C(C)C)no2)c1C	160806781	DJPRYPMXDMVDMP-UHFFFAOYSA-N	319.361	2.460	70	20	DEID	
Cc1noc(-c2ccccc2C(=O)N[C@H]2CCC[C@H](N)C2)n1	160831745	KQMQDKNDPQNROM-RYUDHWBXSA-N	300.362	2.045	70	20	DEID	
CCOCCNC(=O)[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1	160903777	ZXKAVUUJJDKULL-CHWSQXEVSA-N	314.426	2.223	70	20	DEID	
CCOCCNC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1	160908865	BOFAGCWYLDMNMF-UHFFFAOYSA-N	306.406	2.229	70	20	DEID	
CCC(O)(CC)CNC(=O)NC[C@H]1CCCCN1CC(C)C	160959269	IFWYBQCBEUATRP-OAHLLOKOSA-N	313.486	2.347	70	20	DEID	
CC(C)(C)c1noc(-c2ccccc2C(=O)N2CCNCC2)n1	159451161	KRXDRXNMMNDZKD-UHFFFAOYSA-N	314.389	2.080	70	20	DEID	
CCN(Cc1cnc(C(C)(C)C)s1)[C@@H]1CCS(=O)(=O)C1	160575229	BHWVHSHBOBHALS-LLVKDONJSA-N	316.492	2.450	70	20	DEID	
CC(C)(C)C(=O)C(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	857674571	LWSLRSFWWDIZCR-UHFFFAOYSA-N	305.302	2.038	70	20	DEID	
O=C(NCCOc1ccccc1)N[C@H]1[C@H]2CCO[C@@H]2C12CCC2	161038194	CCCFQEUVSAOPMQ-PMPSAXMXSA-N	316.401	2.322	70	20	DEID	
CC(C)c1nn(C)c(Cl)c1C(=O)NC[C@@H]1CCN(C2CC2)C1	161334566	LQPNOFIRZPXPFX-NSHDSACASA-N	324.856	2.411	70	20	DEID	
Cc1nc(CNC(=O)c2ccc(C(=O)NC3CC3)cc2)cs1	160223194	SZOKCARMDMOGLV-UHFFFAOYSA-N	315.398	2.274	70	20	DEID	
CCC(=O)N[C@@H]1CCCN(C(=O)C[C@@H](C)c2ccncc2)C1	160294933	PFROPPBQKLLLGB-UKRRQHHQSA-N	303.406	2.092	70	20	DEID	
CCN1CCC[C@H]1CNC(=O)c1csc([C@@H]2CCCO2)n1	160330082	HELAHSWYFNFKQZ-AAEUAGOBSA-N	309.435	2.209	70	20	DEID	
O=C(N[C@@H]1CCO[C@H](C2CC2)C1)N1CCC[C@H](N2CCCC2)C1	160527217	LVFQSFNEMSVLKF-IKGGRYGDSA-N	321.465	2.214	70	20	DEID	
CCOCCO[C@H]1CCN(C(=O)Nc2cnn(CC(C)C)c2)C1	160634673	BIKXHCOQPRSZBP-HNNXBMFYSA-N	324.425	2.198	70	20	DEID	
CC(C)n1ccnc1CN1CCN(c2ccccc2O)CC1	160677639	IYJWPJWUZJTAQH-UHFFFAOYSA-N	300.406	2.492	70	20	DEID	
Cc1cc(CN2CCN(Cc3nccn3C(C)C)CC2)no1	160710829	RRJDVQZDCZFDEI-UHFFFAOYSA-N	303.410	2.078	70	20	DEID	
Cc1nn(C)c(=O)c(-c2nc(CCc3ccccc3)no2)c1C	160867557	QMJBFBIXDQAXHI-UHFFFAOYSA-N	310.357	2.232	70	20	DEID	
CC[C@@H](O)CCNC(=O)NCc1ccccc1OC(F)F	160870368	BEUJJVILBLPKTK-LLVKDONJSA-N	302.321	2.248	70	20	DEID	
O=C(NC[C@@H]1CSCCS1)N[C@@H]1CCO[C@H](C2CC2)C1	159828050	WACKRPSZROYXTP-UPJWGTAASA-N	316.492	2.092	70	20	DEID	
Cc1cc(C)c(C(=O)NCc2nc3cccc(C)c3n2C)c(=O)[nH]1	159837383	WEVDKFVDVNYROQ-UHFFFAOYSA-N	324.384	2.117	70	20	DEID	
CCOC(=O)c1cccc(NC(=O)c2cnc3c(c2)ncn3C)c1	159656407	IRZIVPHQYLGFJI-UHFFFAOYSA-N	324.340	2.397	70	20	DEID	
CCO[C@H]1CCCN(C(=O)Cc2cccc(C(=O)OC)c2)C1	159938274	ANSGNPFQVNJEII-HNNXBMFYSA-N	305.374	2.043	70	20	DEID	
CN([C@H]1CCSC1)S(=O)(=O)c1cccc2cnccc12	159379549	WHUSGHWUQBILOI-LBPRGKRZSA-N	308.428	2.361	70	20	DEID	
CCCCS(=O)(=O)NCCCOc1cccc(OC)c1	159580839	KRHATGYEDOLJPE-UHFFFAOYSA-N	301.408	2.184	70	20	DEID	
CCN(Cc1csc(C2CC2)n1)[C@@H]1CCS(=O)(=O)C1	161362004	MDVWJRSSVOVWMG-GFCCVEGCSA-N	300.449	2.030	70	20	DEID	
CC(C)(C)N1C[C@H](NC(=O)Nc2ccc(F)cc2F)CC1=O	217286191	JJHLVKNVPBEIPX-SNVBAGLBSA-N	311.332	2.486	70	20	DEID	
CCN(C)C(=O)CNC(=O)c1cc(Cl)c2ccccc2n1	217771505	BSOJFKGETYKDAK-UHFFFAOYSA-N	305.765	2.096	70	20	DEID	
NC[C@H]1CCCN(C(=O)Cc2ccccc2Br)C1	217268466	MIQCLMCWKFONFU-LLVKDONJSA-N	311.223	2.189	70	20	DEID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)c1ncc(F)cc1F	190655424	ROJDQGDBRIEZEY-UHFFFAOYSA-N	316.260	2.270	70	20	DEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@@H]1c1ccccc1	1345450922	HHAKMQOWHVRNMG-CYBMUJFWSA-N	308.334	2.260	70	20	DEID	
CC[C@@H](NC(=O)c1cccc(S(=O)(=O)F)c1)[C@H]1CCCO1	1348708032	VDOPAIJVHWTRQQ-CHWSQXEVSA-N	315.366	2.032	70	20	DEID	
Cc1ccc2nc(CN3CCN(Cc4ccncc4)CC3)cn2c1	161196059	QCGQZTYBCUPCEG-UHFFFAOYSA-N	321.428	2.356	70	20	DEID	
Cc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C)cn1	161448791	VWUNYCUSGWZYNI-CYBMUJFWSA-N	319.405	2.471	70	20	DEID	
CCOc1cc(CCCNC(=O)[C@@H]2CCCNC2)ccc1OC	160063500	GPPINSPJMHFPQL-OAHLLOKOSA-N	320.433	2.142	70	20	DEID	
CCCCn1ncc(NC(=O)NCCSCCCO)c1C	160076217	RHPMQKLBEBGPFO-UHFFFAOYSA-N	314.455	2.229	70	20	DEID	
CCNC(=O)N1CCN(C(=O)CCCc2sccc2C)CC1	160095002	VAODJTZMXWBHGF-UHFFFAOYSA-N	323.462	2.253	70	20	DEID	
CCn1ccnc1CN1CCN(C(=O)c2cc(C)oc2C)CC1	160847575	DLYAJDKZGLWVKK-UHFFFAOYSA-N	316.405	2.071	70	20	DEID	
Cc1csc(-c2cccc(C(=O)NCc3nncn3C)c2)n1	159601134	JJMPEHPUEFWSQW-UHFFFAOYSA-N	313.386	2.177	70	20	DEID	
C[C@@H]1CCCC[C@@H]1NC(=O)CCCNC(=O)c1cccnc1	159637165	WPTMJUHDAQJTJQ-HIFRSBDPSA-N	303.406	2.287	70	20	DEID	
CC(=O)N1CC[C@@H](NC(=O)c2cncc(-c3ccccc3)c2)C1	159664791	NLIYZAZKMVJDRF-QGZVFWFLSA-N	309.369	2.099	70	20	DEID	
Cc1onc(-c2ccccn2)c1C(=O)NCC[C@H](O)C(C)C	159473020	BHBCFRGTAWZQHN-ZDUSSCGKSA-N	303.362	2.182	70	20	DEID	
O=C(Cc1cccc(OC(F)(F)F)c1)NC1=NCCS1	159875735	FEMXMRCBNZIXKA-UHFFFAOYSA-N	304.293	2.347	70	20	DEID	
O=C(C[C@@H]1CNCCO1)NC(c1cccs1)c1cccs1	159926642	OCXLDWQXRMCZHD-LLVKDONJSA-N	322.455	2.394	70	20	DEID	
CN([C@@H](CN)C1CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1	159953458	PZHNHEPTBWDDJS-LBPRGKRZSA-N	322.352	2.063	70	20	DEID	
COCCCN(CCOC)C(=O)c1ccc(Cl)nc1C	159967827	YNNUAAJTVYPFII-UHFFFAOYSA-N	300.786	2.169	70	20	DEID	
C[C@H]1CCCC[C@]1(C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1262788341	ZIHGXYLVJNVNRX-ZANVPECISA-N	302.371	2.372	70	20	DEID	
C[C@H](c1cccs1)N(C)C(=O)N[C@H]1CCc2ncnn2C1	161037565	HHEJTFBIWDEYPU-MNOVXSKESA-N	305.407	2.057	70	20	DEID	
CCNC(=O)c1ccc(NC(=O)N(C)[C@@H]2CCSC2)cc1	161210317	QOEDMTKCRNYUSX-CYBMUJFWSA-N	307.419	2.406	70	20	DEID	
CCCc1nc(Cn2c(-c3cccnc3)noc2=O)cs1	161275926	JOPMRTAPOQFJAD-UHFFFAOYSA-N	302.359	2.356	70	20	DEID	
Cc1ccccc1S(=O)(=O)N1CCC[C@@H]1[C@H](O)C(F)(F)F	161504752	JSAQPEUWWUIZKW-PWSUYJOCSA-N	323.336	2.071	70	20	DEID	
CNC(=O)[C@@H]1CCCCN1C(=O)C1C2CC3CC(C2)CC1C3	160009623	XYXGKEVVJHMHPJ-CGAUPDFVSA-N	304.434	2.186	70	20	DEID	
CC(C)NC(=O)CN(C)C(=O)c1cncc(-c2ccccc2)c1	160111699	LYAFRKVKUKRVRV-UHFFFAOYSA-N	311.385	2.345	70	20	DEID	
CC(C)(C)CCCC(=O)NC[C@H]1CCC[C@H]1NS(C)(=O)=O	160552181	VKKWPIKMNWQUNC-CHWSQXEVSA-N	318.483	2.037	70	20	DEID	
C[C@@H](NCC(C)(C)O)c1ccc(OCc2nccn2C)cc1	160607406	SSMBFGIPBILXEG-CYBMUJFWSA-N	303.406	2.421	70	20	DEID	
CC1=C(C(=O)Nc2ccc(N3CCCC3=O)cn2)CCCO1	160791624	GTKWMUOSWJDYNJ-UHFFFAOYSA-N	301.346	2.231	70	20	DEID	
O=C(N[C@H]1CCN(C2CCCC2)C1)N[C@H](CO)c1ccccc1	160822002	HTCGYCDDMYRAFH-DOTOQJQBSA-N	317.433	2.036	70	20	DEID	
CC(C)c1cc(=O)n(CC(=O)N(C2CC2)[C@H](C)C2CC2)cn1	160845798	XUFSYVQXEIGQKF-GFCCVEGCSA-N	303.406	2.156	70	20	DEID	
Cc1ccc(OCCCNC(=O)NCc2cnn(C)c2C)cc1	160871337	FDAMEJCUTFLRGP-UHFFFAOYSA-N	316.405	2.305	70	20	DEID	
CN(CC1CCOCC1)C(=O)N[C@@H]1CCCC[C@@H]1n1cccn1	159627395	PHMNCANQMVLRDT-CVEARBPZSA-N	320.437	2.435	70	20	DEID	
Cc1noc(C)c1[C@H](C)CNC(=O)NC[C@@H](C)CN1CCCC1	159660702	CGCUBZOAEWZSCG-CHWSQXEVSA-N	322.453	2.426	70	20	DEID	
C[C@H](O)CN(C)[C@@H](C)C(=O)Nc1ccccc1Br	159525498	HGXCVPWYFYRRRT-UWVGGRQHSA-N	315.211	2.089	70	20	DEID	
CC(C)[C@@H]1CCC[C@H](NC(=O)NC[C@@H]2CCCS2(=O)=O)C1	159735972	XUSCNWPRYWWAJQ-RDBSUJKOSA-N	316.467	2.078	70	20	DEID	
C[C@H](SCCN1CCOCC1)c1nc2ccccc2c(=O)[nH]1	159761966	UCJNGSJRSZOHHX-LBPRGKRZSA-N	319.430	2.050	70	20	DEID	
CC[C@]1(C)NC(=O)N(CC(=O)NC2CCC(C(C)C)CC2)C1=O	159386469	MYMHVHVPYWYUJC-FVKWTLKZSA-N	323.437	2.038	70	20	DEID	
CN(Cc1ccc(O)cc1)S(=O)(=O)c1ccc2c(c1)CCO2	159597322	QYGAAZOASCRZTC-UHFFFAOYSA-N	319.382	2.148	70	20	DEID	
COc1ccc(-c2noc(CN(C)C[C@@H]3CCC[C@@H]3O)n2)cc1	159797121	NTKINFIWRHMCOS-ZFWWWQNUSA-N	317.389	2.338	70	20	DEID	
COCCN(CCO)C(=O)CCSc1ccccc1Cl	160623995	HVLYCEFAYBINKL-UHFFFAOYSA-N	317.838	2.290	70	20	DEID	
O=C(/C=C/[C@H]1CCOC1)Nc1ccc(S(=O)(=O)F)c(F)c1	857672855	KUHAPXRVDNFNSL-PWTMJPFMSA-N	317.313	2.015	70	20	DEID	
O=C(Cc1ccc(S(=O)(=O)F)cc1)NCC1CC(F)(F)C1	1121215226	JROXOBANFLLIQW-UHFFFAOYSA-N	321.320	2.049	70	20	DEID	
O=S(=O)(F)c1ccc(N2CCC3(CCCCO3)CC2)nc1	1550643764	YYSIJVPBGQKYSC-UHFFFAOYSA-N	314.382	2.279	70	20	DEID	
CCc1ncc(NC(=O)N[C@@H](C)Cc2c(C)noc2C)cn1	161157121	XEPFKYVIUMCGRE-VIFPVBQESA-N	303.366	2.397	70	20	DEID	
O=C1C[C@@H](CC(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)CO1	161179444	WGQDRWJGRBOBEA-CVEARBPZSA-N	317.385	2.147	70	20	DEID	
CCC(CC)C(=O)N[C@@H]1CCN(c2ccccc2OC)C1=O	161215861	WGIAODIIDAATHX-CYBMUJFWSA-N	304.390	2.353	70	20	DEID	
O=C(COc1ccc2c(c1)CCCC2)NCCSCCCO	161478316	NJBPGASBZULANE-UHFFFAOYSA-N	323.458	2.176	70	20	DEID	
CN1CCC[C@H]1C(=O)NC[C@H](O)c1c(Cl)cccc1Cl	160216779	ARHXQIPTNPDDPN-RYUDHWBXSA-N	317.216	2.237	70	20	DEID	
CN(C)CCOc1ccccc1CNC(=O)NC1(C)CCC1	160300615	OIMUXPSWBMWPQR-UHFFFAOYSA-N	305.422	2.369	70	20	DEID	
CC[C@@H](COC)NS(=O)(=O)c1ccc(OC)c(C)c1C	160318876	QOZDFTLBTMIDCG-LBPRGKRZSA-N	301.408	2.015	70	20	DEID	
CN(C(=O)N[C@H]1CCO[C@H](C2CC2)C1)C1CCC(CO)CC1	160556345	PKQHSJRDRSOEJZ-LVBITLCTSA-N	310.438	2.137	70	20	DEID	
Cc1ccc(C(=O)N2CC[C@H]3NC(=O)CC[C@H]3C2)cc1Cl	160592338	ZHIJPEIXRRASON-GXTWGEPZSA-N	306.793	2.389	70	20	DEID	
CCN(CC)c1ccc(NC(=O)CCNC(=O)CC(C)C)cn1	160711128	CKEPENGLUYUXTB-UHFFFAOYSA-N	320.437	2.419	70	20	DEID	
CCC[C@H](C(=O)NCC1CCN(CCO)CC1)c1ccccc1	160720536	NUUZPJYMMKVRPE-SFHVURJKSA-N	318.461	2.391	70	20	DEID	
O=C(Nc1cnn(-c2ccccc2)c1)[C@H]1CCn2ccnc2C1	160750843	ICCNFIBNOUTSTP-ZDUSSCGKSA-N	307.357	2.270	70	20	DEID	
CCCC(=O)NC[C@@H]1CCCN(CCCN2CCCCC2)C1	160827117	ZIGCGSZJCMSJAD-KRWDZBQOSA-N	309.498	2.491	70	20	DEID	
C/C=C(\C=C\C(=O)N1CCN(c2nc(C)ns2)CC1)CC	160851374	YEQKKDPOLFQAJX-RQBJMKCESA-N	306.435	2.408	70	20	DEID	
CC(C)c1ccc(C(=O)Nc2ccc(OCC(N)=O)cc2)cn1	160879895	SBJGVMFWNJILNV-UHFFFAOYSA-N	313.357	2.321	70	20	DEID	
COC(=O)CCCNC(=O)N1CCc2c(Cl)cccc2C1	160918603	KNTIDRAGOFSRAD-UHFFFAOYSA-N	310.781	2.361	70	20	DEID	
C[C@@H]1CCCN1C(=O)NCCc1nnc(-c2ccccc2)o1	159875334	QINTXZHOGYFBBG-GFCCVEGCSA-N	300.362	2.473	70	20	DEID	
O=C(NCC[C@H]1CCCCO1)Nc1ccnn1C[C@H]1CCOC1	159713062	PJBGOVIUDGODPV-ZIAGYGMSSA-N	322.409	2.000	70	20	DEID	
CO[C@@H](CNC(=O)c1ccnc(-n2cccn2)c1)c1ccccc1	159397571	XLPNQNCUIITRRY-INIZCTEOSA-N	322.368	2.385	70	20	DEID	
CCOC[C@@H]1CCN(C(=O)c2ccncc2Br)C1	159453749	BXARRYFOOUJHKW-SNVBAGLBSA-N	313.195	2.343	70	20	DEID	
COc1ccc(NC(=O)c2ccc(S(=O)(=O)F)cc2)cn1	864238838	VAUARVAVALIESK-UHFFFAOYSA-N	310.306	2.001	70	20	DEID	
C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2CS(=O)(=O)F)C[C@H]1C	882037156	VYJAKSFRLDQVNM-NXEZZACHSA-N	316.354	2.486	70	20	DEID	
NS(=O)(=O)c1cccc(NC(=O)C2CCC(F)(F)CC2)c1	161005002	DWALOSYARDPIPH-UHFFFAOYSA-N	318.345	2.098	70	20	DEID	
Cc1cc(NC(=O)C(=O)N[C@@H](C)C2CCOCC2)ccc1F	161089602	LTKZAIRXMYVPRG-NSHDSACASA-N	308.353	2.004	70	20	DEID	
COC(=O)COc1ccc(NC(=O)c2cc[nH]c2)cc1Cl	161164517	GBKCVCMDRSMCFZ-UHFFFAOYSA-N	308.721	2.472	70	20	DEID	
N[C@@H]1CCC[C@H](NC(=O)CCCOCCc2ccccc2)C1	161505860	DBNYOEAIYQXAKB-SJORKVTESA-N	304.434	2.412	70	20	DEID	
Cc1nc([C@H](NC(=O)CCNC(C)C)c2ccccc2F)no1	160138356	GFWULNIOGFPTFN-OAHLLOKOSA-N	320.368	2.111	70	20	DEID	
Cc1cc(C)nc(SCC(=O)NCCCC(C)(C)CO)n1	160352766	HISUNACSFQBJSF-UHFFFAOYSA-N	311.451	2.100	70	20	DEID	
CCO[C@H](C)c1nc(CC(=O)N2C[C@@H]3CCC[C@H](C2)N3)cs1	160390025	XGSXJAPYISDOHR-UPJWGTAASA-N	323.462	2.136	70	20	DEID	
C[C@@H](NCc1ccccc1CN1CCOCC1)[C@@H]1CCOC1	160436154	POQXHSCCTREMGC-CRAIPNDOSA-N	304.434	2.033	70	20	DEID	
CCc1ccc([C@H](C)NC2CCN(CC(=O)N(C)C)CC2)o1	160456010	LZVBNTSOKZJRCF-ZDUSSCGKSA-N	307.438	2.045	70	20	DEID	
O=S(=O)(Cc1ccon1)N(Cc1cccc(O)c1)CC1CC1	160502576	NCGBNSIWQYFEKQ-UHFFFAOYSA-N	322.386	2.122	70	20	DEID	
COc1ccc(C(=O)N(C)C)cc1NC(=O)C[C@@H](C)SC	160547664	BZXWEFNMKJOBCF-SNVBAGLBSA-N	310.419	2.477	70	20	DEID	
CN(CC(C)(C)O)C(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1	160842363	NQJZLKVKIGRNFP-HUUCEWRRSA-N	306.406	2.319	70	20	DEID	
COC[C@H](O)CCNC(=O)c1cc(Cl)ccc1OC(F)F	160870049	IBPDMXUQXQEGLP-SECBINFHSA-N	323.723	2.069	70	20	DEID	
C[C@@]1(O)CCCN(C(=O)NCc2nc3ccccc3s2)C1	159633291	QXCOHSRDLVKHAA-OAHLLOKOSA-N	305.403	2.353	70	20	DEID	
Cc1cc(N[C@@H](C(N)=O)c2ccc(Br)cc2)nn1C	159643204	LIKNKWGVEROCIF-GFCCVEGCSA-N	323.194	2.130	70	20	DEID	
CC[C@H](NC(=O)Nc1ccc(C(=O)N(C)C)cc1)[C@@H]1CCCO1	159673218	FOQVZSXRXZUICO-GJZGRUSLSA-N	319.405	2.468	70	20	DEID	
COc1ccc(N(C)C(=O)CCn2ccccc2=O)cc1F	159689955	YWMGQQFPASFXAH-UHFFFAOYSA-N	304.321	2.049	70	20	DEID	
CC(=O)N1CC[C@H](NC(=O)CCOc2cc(C)cc(C)c2C)C1	159739272	OEUGCUSAKSIPSQ-INIZCTEOSA-N	318.417	2.118	70	20	DEID	
O=C(C1CCCC1)N1CCC(CNC(=O)C(F)(F)F)CC1	216740405	ULQIHRMOCOIPPT-UHFFFAOYSA-N	306.328	2.094	70	20	DEID	
O=[N+]([O-])c1ccc(N2CCC[C@H]3C[C@H]32)c(CS(=O)(=O)F)c1	882349963	CVUQVBCHFJZERB-TVQRCGJNSA-N	314.338	2.383	70	20	DEID	
COC(=O)CC1(NC(=O)C2CCC(C)(C)CC2)CCOCC1	161008561	VYGAZXMPFLDQSB-UHFFFAOYSA-N	311.422	2.431	70	20	DEID	
C[C@@H]1CCCC[C@@H]1OCCNC(=O)NOCc1cccnc1	161083538	BZHVTDSCNQWUDV-HIFRSBDPSA-N	307.394	2.408	70	20	DEID	
CCc1ccccc1NC(=O)CN(CC)Cc1cnn(C)c1	161086904	CAHAIXWGIMOCBI-UHFFFAOYSA-N	300.406	2.443	70	20	DEID	
O=C(Nc1cnn(CC(F)(F)F)c1)[C@H]1Cc2ccccc2CN1	161192343	MQRLCNIIKQCDGO-CYBMUJFWSA-N	324.306	2.098	70	20	DEID	
Cc1cnn(-c2ccc(NC(=O)[C@@H]3CCCCN3)cc2F)c1	161232475	UWUKXAXWUUEHDI-AWEZNQCLSA-N	302.353	2.400	70	20	DEID	
CCN(CCCN1CCCCC1)[C@@H](C)CS(=O)(=O)CC	161358153	UURKWXRZFKLMFU-HNNXBMFYSA-N	304.500	2.008	70	20	DEID	
O=C(N[C@@H]1CCN(c2ccccn2)C1)c1csc(C2CC2)n1	161429983	ALZXPTSVVZYQBB-GFCCVEGCSA-N	314.414	2.424	70	20	DEID	
CC[C@@H](NC(=O)[C@H]1CCCN(C(C)=O)C1)c1c(C)noc1C	160056592	NRZXTPSQCREEEC-UONOGXRCSA-N	307.394	2.117	70	20	DEID	
CCCOCc1ccccc1CNC(=O)c1cccc(=O)n1C	160143622	TVWSBBAIXMDDRE-UHFFFAOYSA-N	314.385	2.242	70	20	DEID	
CCC1(CO)CCN(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)CC1	160532980	OXKFOKRYDVGLNT-CABCVRRESA-N	310.438	2.138	70	20	DEID	
CCC(CC)[C@@H](O)CNC(=O)Nc1ccn(CC(F)(F)F)n1	160732243	SUDQQZPPLNPWNW-JTQLQIEISA-N	322.331	2.364	70	20	DEID	
CCC(CC)N1C[C@H](C(=O)N(C)Cc2cccn2C)CC1=O	160787400	SLVZFSGZPUNXPD-CYBMUJFWSA-N	305.422	2.021	70	20	DEID	
CCc1cccc(CC(=O)NCCCNC(=O)C2CCC2)c1	160902544	LTKHUECWOHFFJK-UHFFFAOYSA-N	302.418	2.214	70	20	DEID	
CCN(C[C@@H]1CCCO1)C(=O)c1ccc(C(=O)NC2CC2)cc1	160910479	GBNOUEXEDNTHIE-INIZCTEOSA-N	316.401	2.220	70	20	DEID	
CCCCN1CCc2ccc(NC(=O)[C@H]3CN(C)CCO3)cc21	160962759	COSNAKGCFKEXMZ-QGZVFWFLSA-N	317.433	2.118	70	20	DEID	
CC(C)(C)NC(=O)CCSCc1nc2ccccc2c(=O)[nH]1	159363672	PUOOQPVGIZRZCU-UHFFFAOYSA-N	319.430	2.461	70	20	DEID	
CN([C@@H]1CCSC1)S(=O)(=O)c1cccc2cnccc12	159379424	WHUSGHWUQBILOI-GFCCVEGCSA-N	308.428	2.361	70	20	DEID	
CN(CCc1nccs1)S(=O)(=O)c1c(F)cccc1F	159617646	PMERMXQIXUHGOM-UHFFFAOYSA-N	318.370	2.285	70	20	DEID	
C[C@@H]1O[C@H](C)[C@H](C(=O)Nc2cccc(S(=O)(=O)F)c2)[C@H]1C	875562576	QYKIWBQLHAEFSO-QISWUMQESA-N	315.366	2.343	70	20	DEID	
CN1CCc2ccc(NC(=O)c3cnc4c(c3)ncn4C)cc21	161110447	LRCKHIAPZCDYEF-UHFFFAOYSA-N	307.357	2.213	70	20	DEID	
CO[C@H](C)C(=O)NCc1ccc(COC2CCOCC2)cc1	161258065	HQTVRAXDHAMNPX-CYBMUJFWSA-N	307.390	2.033	70	20	DEID	
O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)[C@H]2CCCNC2)C1	161452515	CGCSLDPKYFIRKO-GJZGRUSLSA-N	318.392	2.247	70	20	DEID	
Cn1ccnc1-c1cccc(NC(=O)[C@H]2CCn3ccnc3C2)c1	160121929	PSGGMJRFNSIWTR-AWEZNQCLSA-N	321.384	2.485	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)C[C@@H]1OCCc2ccccc21	160167404	SCLZBNOKGUOHOF-DOMZBBRYSA-N	305.374	2.148	70	20	DEID	
CCS(=O)(=O)C[C@@H](C)N(C)C(=O)C1CCC(C)(C)CC1	160360563	GMXDKYKEQQNDOE-GFCCVEGCSA-N	303.468	2.484	70	20	DEID	
O=S(=O)(CCCF)N[C@H](C[C@H]1CCOC1)c1ccccc1	159817912	QSEMAIICLNFTFV-UKRRQHHQSA-N	315.410	2.433	70	20	DEID	
CN(C(=O)c1ccc(OC(F)(F)F)cc1)[C@@H](CN)C1CC1	159821047	WUAWAARJPORGEH-LBPRGKRZSA-N	302.296	2.395	70	20	DEID	
Cn1cc(-c2nc(C(=O)NCC3(C4CC4)CC3)cs2)cn1	159665392	AJDCOIXJMHSPOD-UHFFFAOYSA-N	302.403	2.464	70	20	DEID	
CCOC(=O)CN(C)CC(=O)N(Cc1ccccc1)C(C)(C)C	159499431	LGILNZHGEWOZNR-UHFFFAOYSA-N	320.433	2.309	70	20	DEID	
CC(C)C(=O)N1CCCN(C(=O)C[C@@H](C)c2ccncc2)CC1	159913502	SMHASGQCGVZOJM-OAHLLOKOSA-N	317.433	2.292	70	20	DEID	
O=C(NCC1(C2CC2)CC1)c1cn(Cc2cccc(F)c2)nn1	159936180	PJNVCTRXPCFVCR-UHFFFAOYSA-N	314.364	2.386	70	20	DEID	
CO[C@H]1CCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	1339084622	DXRGHJPXRLXZID-KOLCDFICSA-N	319.329	2.238	70	20	DEID	
CCn1ccnc1CNCCN(C(=O)OC(C)(C)C)C1CC1	217798639	QFSCXUHUWXFQKT-UHFFFAOYSA-N	308.426	2.392	70	20	DEID	
CN(C[C@H]1CCC[C@H]1O)C(=O)N[C@@H](CCCO)c1ccccc1	161474759	AUTFRDXKBWYLPZ-IXDOHACOSA-N	320.433	2.303	70	20	DEID	
N[C@@H]1CCC[C@@H](NC(=O)c2ccn(-c3cccc(F)c3)n2)C1	161482993	GYPCGEXUBBHPGK-CHWSQXEVSA-N	302.353	2.011	70	20	DEID	
CCC1(CC)[C@@H](OC)C[C@H]1N[C@@H]1CCN(CC(F)(F)F)C1=O	160103111	HRINRWZUMHYECG-UTUOFQBUSA-N	322.371	2.333	70	20	DEID	
COC(=O)c1ccccc1CS(=O)(=O)NCC1(C2CC2)CC1	160115734	NAUGLIVNADFNKG-UHFFFAOYSA-N	323.414	2.083	70	20	DEID	
CCNC(=O)c1cccc(CN[C@@H]2CCN(CC)C[C@@H]2C)c1	160172012	CKGJWYMOLQFKHK-WMLDXEAASA-N	303.450	2.256	70	20	DEID	
CCC(CC)CN(CC)C(=O)NC[C@@H]1CCCS1(=O)=O	160174477	ZOBMLTCQUZRERL-ZDUSSCGKSA-N	304.456	2.031	70	20	DEID	
CC(C)N(CCNC(=O)c1cccc(-n2ccnn2)c1)C(C)C	160360596	ZWRBILAFGAMGRW-UHFFFAOYSA-N	315.421	2.116	70	20	DEID	
CC(=O)Nc1cc(C(=O)NCCCC(C)(C)CO)ccc1F	160369988	PQHJPLXCPVMNRZ-UHFFFAOYSA-N	310.369	2.313	70	20	DEID	
COc1cccc(C(=O)N2CCOC[C@H]2[C@@H]2CCCCC2=O)c1	160528100	LYOQNSYEFWWWRB-HOTGVXAUSA-N	317.385	2.296	70	20	DEID	
COc1cc(F)c(C(=O)N(C)Cc2cccn2C)cc1OC	160834773	WDLWNPQFAQHKEN-UHFFFAOYSA-N	306.337	2.454	70	20	DEID	
Cc1ccnc(-c2ccc(NC(=O)[C@@H]3CSCN3)cc2)n1	160877350	ZMLFNXOCPYIWGT-ZDUSSCGKSA-N	300.387	2.053	70	20	DEID	
Cc1nn(C)c2ncc(NC(=O)N(C)[C@@H]3CCSC3)cc12	160909361	SYBKWXLLSZAJLJ-LLVKDONJSA-N	305.407	2.246	70	20	DEID	
CC(C)(CO)[C@@H](CNC(=O)NC[C@@H]1CCCO1)c1ccccc1	160969280	XYMXLQCIPWWLEV-HOTGVXAUSA-N	320.433	2.267	70	20	DEID	
O=C(c1cc(-c2ccco2)[nH]n1)N1CCC(NCC2CC2)CC1	159829682	PUYVSZGSAQYHQI-UHFFFAOYSA-N	314.389	2.274	70	20	DEID	
COc1ccc(C)cc1CCNC(=O)N1CCC[C@](C)(O)C1	159948628	MXNKFBLMVWGWOC-KRWDZBQOSA-N	306.406	2.103	70	20	DEID	
CC(C)[C@H](C)NC(=O)CSc1nnc(-c2ccccn2)n1C	159591254	AWTHRCUSKLKRDO-NSHDSACASA-N	319.434	2.130	70	20	DEID	
CC(C)N1C[C@H](NC(=O)NCc2ccccc2Cl)CC1=O	217288002	AEIIDVSSRWXGTF-GFCCVEGCSA-N	309.797	2.149	70	20	DEID	
CO[C@@H]1CCC[C@H]1C(=O)Nc1cccc(S(=O)(=O)F)c1	1121101846	BZVCYFKJUHKSTF-VXGBXAGGSA-N	301.339	2.098	70	20	DEID	
C[C@H]1Cc2ccccc2CN1C(=O)c1cc(S(=O)(=O)F)c[nH]1	1527565100	FZXPCMHBWYEGFL-JTQLQIEISA-N	322.361	2.260	70	20	DEID	
O=C(Nc1ccc(OCC2CCOCC2)cc1)[C@@H]1CSCN1	161034743	KYELEWLGXXLWMF-HNNXBMFYSA-N	322.430	2.093	70	20	DEID	
COCCOc1cccc(NC(=O)N2CCC[C@@H]2C[C@H](C)O)c1	161062238	AJVQSSGJNCCAQJ-DZGCQCFKSA-N	322.405	2.479	70	20	DEID	
Cc1nccc(CNC(=O)Nc2ccn(CCC(C)C)n2)n1	161070853	OLTAERRAABQBRT-UHFFFAOYSA-N	302.382	2.349	70	20	DEID	
Cc1cccc([C@@H](NC(=O)[C@@H]2CC(=O)N(C)C2)c2ccccn2)c1	160098006	GKKWFSZTTZOAEC-CRAIPNDOSA-N	323.396	2.074	70	20	DEID	
CCCNC(=O)Nc1ccc(CC(=O)Nc2cn[nH]c2)cc1	160126470	GRBVQLYSJKIKJM-UHFFFAOYSA-N	301.350	2.122	70	20	DEID	
CC[C@@H](NC(=O)Cn1c(C)c(C)sc1=O)c1c(C)noc1C	160130794	BGIDPIKRMZIVRY-GFCCVEGCSA-N	323.418	2.399	70	20	DEID	
NCCCNC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1	160142816	MUHPSUKOHNEAPE-UHFFFAOYSA-N	318.398	2.265	70	20	DEID	
CN(C)[C@H]1CCN(C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)C1	160354685	PKJRSORSLDBBBZ-GOEBONIOSA-N	319.405	2.022	70	20	DEID	
C[C@@H](CO)CNC(=O)C(C)(C)c1ccc(Br)cc1	160436161	WBGRSBOKPWPEBX-SNVBAGLBSA-N	314.223	2.471	70	20	DEID	
C[C@@H](NC(=O)Nc1ccc(-c2ncn(C)n2)cc1)[C@@H]1CCOC1	160638504	NFEUCVVBXYLSKU-DGCLKSJQSA-N	315.377	2.029	70	20	DEID	
O=C(N[C@@H]1CCN(CC2CC2)C1)N1CCCC[C@H]1c1ncc[nH]1	160649837	SODJZQUEMYJXFY-CABCVRRESA-N	317.437	2.131	70	20	DEID	
CN[C@@H]1CCN(C(=O)c2occc2COc2ccccc2)C1	160729659	BEUZCPVGPDCLFD-CQSZACIVSA-N	300.358	2.293	70	20	DEID	
CCc1noc(C)c1CNc1ccc(C(=O)N[C@H](C)CO)cc1	159443764	YLRVXJZZGFBGFD-LLVKDONJSA-N	317.389	2.268	70	20	DEID	
CCN1CCCN(C(=O)N[C@@H](CCCO)c2ccccc2)CC1	159895918	DSOOMNQHRHQJAB-KRWDZBQOSA-N	319.449	2.237	70	20	DEID	
C[C@H]1OCCN(C(=O)NCc2ccc(N3CCCC3)nc2)[C@@H]1C	159541770	HDFMGZVIEJTTNK-ZIAGYGMSSA-N	318.421	2.001	70	20	DEID	
CN1C(=O)COc2ccc(NC(=O)CCCn3cccc3)cc21	159767019	VWDXFMIEUUFUKM-UHFFFAOYSA-N	313.357	2.262	70	20	DEID	
C[C@@H]1CCC[C@H]1C(=O)Nc1cncc(OS(=O)(=O)F)c1	2088595720	CZNSWGSLSNUPRS-LDYMZIIASA-N	302.327	2.049	70	20	DEID	
CCN(CCN[C@@H]1C[C@@H](C)N(C2CC2)C1)C(=O)OC(C)(C)C	159499203	MTUPDYBABQIZGJ-ZIAGYGMSSA-N	311.470	2.458	70	20	DEID	
O=C(OCC[C@@H]1CCCC1=O)c1ccc(S(=O)(=O)F)cc1	490537161	OHFHTDVNIQLZEO-JTQLQIEISA-N	314.334	2.261	70	20	DEID	
CC(C)[C@@H](C)N(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CC1	1339471123	CQNYZMCDZQZRQR-SECBINFHSA-N	302.371	2.322	70	20	DEID	
C[C@H](NC(=O)c1ccoc1)C(=O)N1CCc2c(F)cccc2C1	161028092	UVMHBIQTBVGERV-NSHDSACASA-N	316.332	2.122	70	20	DEID	
CCN(CC(=O)N(C)[C@@H]1CCCC[C@@H]1C)Cc1cnn(C)c1	161125982	ULJXKDSURQJQBO-GOEBONIOSA-N	306.454	2.279	70	20	DEID	
CNS(=O)(=O)c1cccc([C@H](C)NCc2ccc(C)nc2)c1	161298298	OZXDYNDCLBYNOI-ZDUSSCGKSA-N	319.430	2.149	70	20	DEID	
O=C([C@@H]1CCCCO1)N1CCCN(Cc2ccccc2)CC1	161401094	DVSXKXPUGWMKBY-KRWDZBQOSA-N	302.418	2.290	70	20	DEID	
CCc1oc2ccccc2c1CN(C)C(=O)[C@H]1CCNC(=O)C1	160023076	RGLDQDPPWBVHOF-LBPRGKRZSA-N	314.385	2.480	70	20	DEID	
Cc1conc1NC(=O)C(=O)N[C@H](C)c1ccc(F)cc1F	160031228	HPWZNZUHZWSLFB-MRVPVSSYSA-N	309.272	2.077	70	20	DEID	
O=C1NC(=O)c2cc(NC(=O)N3CC[C@@H]4CCCC[C@@H]43)ccc21	160039579	ZOTWHJMNIOQEMF-HZMBPMFUSA-N	313.357	2.367	70	20	DEID	
CN(C[C@H](O)Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCOC1	160066032	HNBMITXOFBQGSH-ZIAGYGMSSA-N	303.324	2.330	70	20	DEID	
CCC[C@H](N[C@@H](C)COC)C(=O)N1CCc2sccc2C1	160206614	LISACHJIEPRHLC-JSGCOSHPSA-N	310.463	2.426	70	20	DEID	
COc1cccc(CCNC(=O)CNC(=O)CC2CCCC2)c1	160305611	SUMYQPIHEUQTTG-UHFFFAOYSA-N	318.417	2.050	70	20	DEID	
O=C(NC1CCN([C@@H]2CCCC[C@H]2O)CC1)c1cccc(F)c1	160631728	JPEKIZVICVKUTI-IAGOWNOFSA-N	320.408	2.323	70	20	DEID	
NC(=O)c1csc(C(=O)NCCc2cc3ccccc3[nH]2)c1	159606435	BCWAIVBIVSXLOV-UHFFFAOYSA-N	313.382	2.301	70	20	DEID	
COC(C)(C)CNC(=O)Nc1ccccc1O[C@H]1CCOC1	159833346	MHMYAADFBUNBJG-LBPRGKRZSA-N	308.378	2.401	70	20	DEID	
CCOC(=O)CN(C)CC(=O)N[C@H](CC(C)C)c1ccccc1	159502922	ANIAABXNKCZWOM-MRXNPFEDSA-N	320.433	2.385	70	20	DEID	
CC(C)(C)S(=O)(=O)CC(=O)NC1(c2ccccc2)CCC1	159370022	LXHAJNNXAPCOFS-UHFFFAOYSA-N	309.431	2.395	70	20	DEID	
Cc1ccc(S(=O)(=O)N(C)[C@@H]2CCSC2)cc1N(C)C	159395493	XYDFAAZSIKINRW-GFCCVEGCSA-N	314.476	2.187	70	20	DEID	
O=C(Nc1noc2c1CCCC2)c1cccc(S(=O)(=O)F)c1	1262813613	FNNDGPSYDZVOHP-UHFFFAOYSA-N	324.333	2.464	70	20	DEID	
O=C(NCc1cccc2cc[nH]c12)c1cc(S(=O)(=O)F)c[nH]1	1123648530	LUELDXCAZBKMEE-UHFFFAOYSA-N	321.333	2.084	70	20	DEID	
O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1cc(S(=O)(=O)F)c[nH]1	1348696867	VKRBMGMDWKOAJU-GARJFASQSA-N	314.382	2.372	70	20	DEID	
Cc1ccc(C(C)(C)CNC(=O)C(=O)Nc2nocc2C)cc1	161021028	ZONQJIARQLUKNS-UHFFFAOYSA-N	315.373	2.324	70	20	DEID	
CCOC[C@@H]1CCN(C(=O)Nc2cc(C(=O)OC)cs2)C1	161141729	RCXOBYUJMRLMRA-SNVBAGLBSA-N	312.391	2.425	70	20	DEID	
CCC(CC)(CN)C(=O)Nc1ccc(OCCC(=O)OC)cc1	161203749	IXCPXBDONHMFNM-UHFFFAOYSA-N	322.405	2.332	70	20	DEID	
Cc1c(NC(=O)N[C@@H]2CCC[C@@H]2C(N)=O)cnn1CCC(C)C	161459585	MFFBOBWXDZTXLZ-QWHCGFSZSA-N	321.425	2.013	70	20	DEID	
COc1ccc(CCCNC(=O)NCc2cnn(C)c2C)cc1	160056497	ITWYBUNZQBQMGL-UHFFFAOYSA-N	316.405	2.169	70	20	DEID	
O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)N1CCC[C@@H](CO)C1	160122104	HXEFRIFYKXENKG-CZUORRHYSA-N	320.389	2.091	70	20	DEID	
COc1ccc([C@@H](O)CNC(=O)Cc2nc(C)sc2C)cc1	160234075	ZCRZKKBPLCKGKC-HNNXBMFYSA-N	320.414	2.161	70	20	DEID	
CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCO1	160284143	NBLHIULWSXGGCE-UPJWGTAASA-N	312.410	2.118	70	20	DEID	
CC(C)Cc1nnc(NC(=O)c2cccc3[nH]c(=O)oc23)s1	160345373	RIRQMDLXTRYIKT-UHFFFAOYSA-N	318.358	2.423	70	20	DEID	
O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)N1CCC(CO)CC1	160365419	WYAQKFVDKVZQBJ-MRXNPFEDSA-N	320.389	2.091	70	20	DEID	
O=C(NC1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccsc1	160551514	INUMCPKWEJFVIZ-CABCVRRESA-N	308.447	2.246	70	20	DEID	
COCC[C@H](C)NC(=O)Nc1ccc(-c2ncn(C)n2)cc1	160726165	SUTNJYLNZMXLEP-NSHDSACASA-N	303.366	2.029	70	20	DEID	
CC[C@@]1(C)C[C@H]1C(=O)NCCNC(=O)c1ccc(C)c(F)c1	160863516	JKSPPUMCXVKQJM-GUYCJALGSA-N	306.381	2.416	70	20	DEID	
COc1ccc(NC(=O)C(=O)N2CCC3(CCC3)C2)cc1OC	159456626	WBZREYQJDWBVPN-UHFFFAOYSA-N	318.373	2.045	70	20	DEID	
O=C(C[C@H]1COC(=O)C1)N[C@H](C[C@H]1CCOC1)c1ccccc1	159466861	MQUAVGBFZHROKL-IIAWOOMASA-N	317.385	2.224	70	20	DEID	
CC(=O)N1CCC[C@@H](C(=O)NCCc2cc3ccccc3[nH]2)C1	159545923	IUQCYRFRFXRXDI-OAHLLOKOSA-N	313.401	2.085	70	20	DEID	
COc1cccc(CO[C@H](C)C(=O)NCC2(N)CCCCC2)c1	159571447	LTSLAEGWPNTVTG-CQSZACIVSA-N	320.433	2.378	70	20	DEID	
COC[C@H](O)CCNC(=O)CCc1cc(Cl)cc(Cl)c1	160820841	QFKPLCHMPVONDL-CYBMUJFWSA-N	320.216	2.440	70	20	DEID	
O=C(Nc1cccc2ccncc12)c1cc(S(=O)(=O)F)c[nH]1	1348708479	YLQDJMIMRRBROF-UHFFFAOYSA-N	319.317	2.473	70	20	DEID	
COCCC1(CNC(=O)N2CCC[C@@H](N3CCCC3)CC2)CC1	161134903	PUMUVBOAVGNJAD-MRXNPFEDSA-N	323.481	2.463	70	20	DEID	
CCN1CCCC[C@@H]1CN[C@@H](C)c1ccc(-n2cnnn2)cc1	161204941	PUGXRYXRVUZHOW-WMLDXEAASA-N	314.437	2.187	70	20	DEID	
CC(C)[C@@H](NC(=O)N[C@H](C)CCO)c1ccc2c(c1)OCCO2	161258476	FVJDEQLFBFOMIN-MLGOLLRUSA-N	322.405	2.225	70	20	DEID	
CCOCCCN1CC[C@@H](NC(=O)NC2(C)CCC2)[C@H](C)C1	161304159	MITUMAAZBXXVTK-HUUCEWRRSA-N	311.470	2.365	70	20	DEID	
CNC(=O)CCCN(C)C(=O)Nc1cccc(Cl)c1OC	161344136	NKNNMFYYOSVOGV-UHFFFAOYSA-N	313.785	2.339	70	20	DEID	
c1cc(CN2CCN(CCCN3CCCCC3)CC2)ccn1	161459401	VVFDSCBDPWOBGL-UHFFFAOYSA-N	302.466	2.075	70	20	DEID	
O=C(NCC1(CCO)CCC1)c1csc([C@@H]2CCCO2)n1	160479272	RUOVNOBILCJEAV-LBPRGKRZSA-N	310.419	2.277	70	20	DEID	
CC(=O)N[C@H](C(=O)N[C@H]1CCOC2(CCCCC2)C1)C(C)C	160579245	FTMADGOOIWAEMR-GJZGRUSLSA-N	310.438	2.145	70	20	DEID	
O=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1cccc(-c2ncn[nH]2)c1	160611530	NXWGSWAZCFIIHA-KFWWJZLASA-N	324.384	2.159	70	20	DEID	
C[C@]1(NC(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)CCOC1	160709902	WMRJIANPOUXDMM-ZOBUZTSGSA-N	304.390	2.385	70	20	DEID	
Cc1cnc([C@@H](C)NC(=O)c2cnc3c(c2)ncn3C)s1	160729614	DNSWATFVVOBYOY-SECBINFHSA-N	301.375	2.224	70	20	DEID	
CN(C(=O)Nc1ccc(-c2ncn(C)n2)cc1)[C@H]1CCSC1	160800604	LUZOTXBZGLKHME-ZDUSSCGKSA-N	317.418	2.451	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)c1cc2c(C)nn(C)c2s1	160863190	BJRMIEVNEHYOHK-MRVPVSSYSA-N	309.391	2.015	70	20	DEID	
COc1ccc(Cc2nnc(SCc3nncn3C)o2)cc1	160937672	MJAWPKODQUSCOZ-UHFFFAOYSA-N	317.374	2.090	70	20	DEID	
Cc1cccc(-c2nnc(SCc3nncn3C)n2C)c1	160983574	NUGPMJHIQNDVQW-UHFFFAOYSA-N	300.391	2.211	70	20	DEID	
COC(=O)C[C@@H](C)S[C@@H]1CCCN(CC(F)(F)F)C1=O	159812369	AOXLFYKAAYDQCR-RKDXNWHRSA-N	313.341	2.225	70	20	DEID	
CC(C)Cc1ccc(S(=O)(=O)N(C)[C@@H](CN)C2CC2)cc1	159946707	WKTNQFMRNINQKU-INIZCTEOSA-N	310.463	2.243	70	20	DEID	
CC(C)(C)c1ccc(NC(=O)NCCN2CCNCC2)cc1	217301246	LWSHWHFMBBFOMZ-UHFFFAOYSA-N	304.438	2.011	70	20	DEID	
CC[C@@H](NC(=O)c1ccc(S(=O)(=O)F)cc1)[C@@H]1CCCO1	864242471	GTDUVEXQHHKXQK-OLZOCXBDSA-N	315.366	2.032	70	20	DEID	
O=C(NCC1CC(F)(F)C1)c1ccc(S(=O)(=O)F)cc1	864241888	OWSGZNZIMFBAKR-UHFFFAOYSA-N	307.293	2.120	70	20	DEID	
CC1(C)CCC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1340624819	LOEGOLRQHLNKAV-SECBINFHSA-N	302.371	2.372	70	20	DEID	
Nc1cc(NC(=O)c2cccc(S(=O)(=O)F)c2)ccc1F	1580436620	HOINTRRHILKAIL-UHFFFAOYSA-N	312.297	2.318	70	20	DEID	
CC(=O)c1cccc(OCCCC(=O)NC[C@H](C)CCO)c1	161007714	FZYXIKVOLAXFRB-CYBMUJFWSA-N	307.390	2.183	70	20	DEID	
CC(=O)NC1CCC(NCc2ccnc(N3CCCC3)c2)CC1	161022118	RROCMBYXJSWFIS-UHFFFAOYSA-N	316.449	2.219	70	20	DEID	
COC(=O)c1csc(NC(=O)NC[C@H]2CCC[C@@H](O)C2)c1	161022563	PUYSEYNIJMMPPA-GXSJLCMTSA-N	312.391	2.207	70	20	DEID	
CC(C)c1ccc(NC(=O)C(=O)Nc2cccn(C)c2=O)cc1	160072114	JIZWUVPOUNBYQR-UHFFFAOYSA-N	313.357	2.086	70	20	DEID	
CCc1cc(C(=O)N2CSC[C@H]2C(=O)N(C)C)oc1CC	160201150	VBLQJMGJHDOHQC-NSHDSACASA-N	310.419	2.008	70	20	DEID	
CN(CCCOCCc1ccccc1)[C@@H]1CCCCNC1=O	160299686	IMEXIHLXJIKAAJ-QGZVFWFLSA-N	304.434	2.236	70	20	DEID	
CC[C@H](C)[C@@H](C)NCC(=O)NC[C@@H](c1ccccc1)N(C)C	160454592	GSPUXTJQLNESNY-UXLLHSPISA-N	305.466	2.430	70	20	DEID	
O=C(CN[C@H](Cc1ccccc1)C1CC1)NCC(F)(F)F	160526985	BHOOJFRFWHRUNC-CYBMUJFWSA-N	300.324	2.276	70	20	DEID	
O=C(NCc1ccc(F)cc1)Nc1ccnn1C[C@H]1CCOC1	159603933	UCNMWLHKKFXIEZ-CYBMUJFWSA-N	318.352	2.380	70	20	DEID	
Cc1cc(N[C@H](C)C(=O)N2CCc3sccc3C2)nn1C	159612109	WLEZPRSTMYEFGL-LLVKDONJSA-N	304.419	2.175	70	20	DEID	
COc1ccsc1S(=O)(=O)Nc1cc(C(C)C)n[nH]1	159829107	JJBGGQQZKHBRMA-UHFFFAOYSA-N	301.393	2.404	70	20	DEID	
CCC(CC)(CC)CNC(=O)N[C@@H]1CCc2nc(C)nn2C1	159681203	VAMZVXWXIDJHFR-CYBMUJFWSA-N	307.442	2.417	70	20	DEID	
CSCCCCC(=O)Nc1ccc(OCCC(N)=O)cc1	159924224	RIAPMYLTKRFXGH-UHFFFAOYSA-N	310.419	2.413	70	20	DEID	
CN(CC(=O)N1CCCc2ccccc21)C[C@@H]1CCC[C@@H]1O	159569156	BNFZFIAZPLALAA-RDJZCZTQSA-N	302.418	2.059	70	20	DEID	
CCCCn1ncc(NC(=O)NCCC(=O)OC(C)C)c1C	159989141	JJWQSUCJSBIPNB-UHFFFAOYSA-N	310.398	2.455	70	20	DEID	
CC[C@@H]1CC[C@@H](C(=O)Nc2ccc(S(=O)(=O)F)cc2)O1	274977879	OZBBIDPESNKFPZ-PWSUYJOCSA-N	301.339	2.241	70	20	DEID	
O=C(Nc1cccc(S(=O)(=O)F)c1)c1cn2ccccc2n1	460089662	FZGBAFZVVJZYSU-UHFFFAOYSA-N	319.317	2.245	70	20	DEID	
C[C@H]1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)F)cc2)CCC1=O	460097127	VVXFXJXTHUZBRP-UWVGGRQHSA-N	313.350	2.289	70	20	DEID	
CS[C@@H]1CC[C@H](NC(=O)c2cccc(S(=O)(=O)F)c2)C1	1121035595	NHABUTQNWXZKNA-WDEREUQCSA-N	317.407	2.359	70	20	DEID	
CCC1(CNC(=O)N[C@H](C)[C@@H](C)N2CCOCC2)CCCC1	161111902	JKKRSKWBGHVHRU-HUUCEWRRSA-N	311.470	2.365	70	20	DEID	
CCNC(=O)CCN(C)CCCc1cc(-c2ccccc2)n[nH]1	161231985	OWDOGQPMIDGBIR-UHFFFAOYSA-N	314.433	2.467	70	20	DEID	
COc1ccc(N(C)C(=O)C2(OC)CCNCC2)cc1Cl	161442485	FIRFXRLNJSPGRD-UHFFFAOYSA-N	312.797	2.080	70	20	DEID	
CCOc1ccc(NC(=O)CS(=O)(=O)C(C)(C)C)cc1F	161481940	QFJAKDNULMTOPQ-UHFFFAOYSA-N	317.382	2.376	70	20	DEID	
C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Nc1nccc(N(C)C)n1	160240274	APYOWPDVENAVRL-ZBFHGGJFSA-N	311.433	2.475	70	20	DEID	
Cc1cccc(C(=O)N2CCN(CC(C)(C)O)CC2)c1Cl	160381118	DNEWVBITFSCSIZ-UHFFFAOYSA-N	310.825	2.177	70	20	DEID	
CCCCNC(=O)CS(=O)(=O)c1ncc(C(C)(C)C)s1	160383344	GKDANIOWKHEKPA-UHFFFAOYSA-N	318.464	2.131	70	20	DEID	
COC(=O)c1ccc(NC(=O)N2CCC[C@H]([C@@H](C)O)C2)cc1F	160420129	MUBPDFJHGCVFCN-MNOVXSKESA-N	324.352	2.237	70	20	DEID	
CC(C)CN1CCC[C@@H]1CNC(=O)CCc1nc(C(C)C)no1	160480353	WJDJUUABONKSFJ-CQSZACIVSA-N	322.453	2.362	70	20	DEID	
O=C(N[C@H]1CCO[C@H](C2CC2)C1)c1cnc(C(F)(F)F)nc1	160580030	XVQQLXNLAYRZLG-QWRGUYRKSA-N	315.295	2.183	70	20	DEID	
COc1cc(C(=O)NCCc2ccccc2)cc(OC)c1O	160671804	LUKXGSPQCJREBG-UHFFFAOYSA-N	301.342	2.382	70	20	DEID	
Cc1cnccc1CCNC(=O)N[C@@H](C)CN1CCC[C@H](C)C1	159920030	LTGNRZYKVJVRFV-HOCLYGCPSA-N	318.465	2.352	70	20	DEID	
Cc1ccc(-n2cnnn2)cc1NC(=O)NCC1(C2CC2)CC1	159925969	NEZAFNUOFHKVLR-UHFFFAOYSA-N	312.377	2.282	70	20	DEID	
COc1cccc(CO[C@H](C)C(=O)Nc2c[nH]c(=O)c(C)c2)c1	159748759	FLSKEQSNHMPSEM-GFCCVEGCSA-N	316.357	2.236	70	20	DEID	
COC(=O)CCCS(=O)(=O)N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C	218715765	WHDMDDQLQOGOOZ-TYNCELHUSA-N	317.451	2.074	70	20	DEID	
COc1ccnc(C(=O)Nc2ccc(S(=O)(=O)F)cc2)c1	122995976	MXSDRFZVGKUPFW-UHFFFAOYSA-N	310.306	2.001	70	20	DEID	
CC[C@@H]1C[C@@H](C(=O)Nc2cccc(S(=O)(=O)F)c2)CCO1	460087590	AXZSMCCFFFFVPG-CMPLNLGQSA-N	315.366	2.489	70	20	DEID	
O=C(N[C@H]1CCC(F)(F)C1)c1cccc(S(=O)(=O)F)c1	1338390903	UMGCXMPKYOZJPX-VIFPVBQESA-N	307.293	2.262	70	20	DEID	
COCCOc1cccc(NC(=O)N2CCC[C@H]2C[C@H](C)O)c1	161062013	AJVQSSGJNCCAQJ-ZFWWWQNUSA-N	322.405	2.479	70	20	DEID	
CCC[C@H](CCO)CNC(=O)/C=C/c1ccc(C(=O)OC)cc1	161156109	PMNVXWVWTLOBTQ-JOZWUWCOSA-N	319.401	2.401	70	20	DEID	
COC[C@H](O)CCNC(=O)c1cccc(OC2CCCC2)c1	161472201	SSKGZLGMXJKTNX-CQSZACIVSA-N	307.390	2.135	70	20	DEID	
CC(C)CC(=O)NCCC(=O)N(Cc1ccncc1)C1CC1	161474299	OHYMYPWFVIPUPL-UHFFFAOYSA-N	303.406	2.125	70	20	DEID	
COC(=O)CCc1csc(NC(=O)C2=C(C)OCCC2)n1	160135260	JEAHJULUMLVQDT-UHFFFAOYSA-N	310.375	2.272	70	20	DEID	
O=C(CCc1ccc(F)cc1F)NC[C@H]1CCN(C2CC2)C1	160143529	BMQRVIXYURKDNO-GFCCVEGCSA-N	308.372	2.498	70	20	DEID	
Cc1ccc(-c2cncc(C(=O)NCC(=O)NC3CC3)c2)cc1	160159000	FHDGEBPVCQCEQU-UHFFFAOYSA-N	309.369	2.065	70	20	DEID	
Cc1ccc([C@@H](CNC(=O)C2=CCCC2)N2CCOCC2)o1	160215860	RARFCVUOOSKKAW-OAHLLOKOSA-N	304.390	2.188	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)c1ccc(Cn2cccn2)cc1	160244953	PYRGYWOQWWCKST-ZDUSSCGKSA-N	315.373	2.003	70	20	DEID	
Cc1ccc(NC(=O)C(=O)N[C@H]2C[C@@H]3C[C@@H]2[C@H]2CCC[C@H]32)cn1	160332587	GYAXUSOIKMBHFY-HSZNGYFJSA-N	313.401	2.269	70	20	DEID	
CCOC(=O)CNC(=O)c1cc(C)nc2c1cnn2[C@H](C)CC	160601992	FPDDDMYZESFBQD-LLVKDONJSA-N	318.377	2.004	70	20	DEID	
CN(C)c1ncc(Br)cc1C(=O)NC1CC=CC1	160771435	IGUPWYFRLCSZGM-UHFFFAOYSA-N	310.195	2.359	70	20	DEID	
Cc1ccccc1[C@@H]1CN(C(=O)[C@@H](N)Cc2ccccc2)CCO1	160841459	RKZBSAKTPFADSP-OALUTQOASA-N	324.424	2.465	70	20	DEID	
CCCn1c(SCc2nncn2C)nc2ccccc2c1=O	160959209	YPZXRCHLSMYNLW-UHFFFAOYSA-N	315.402	2.227	70	20	DEID	
CC(C)C[C@@H](CO)NC(=O)NC[C@@H]1CCCCN1CC(C)C	160962051	MYKDFFFIJKBRBE-HOTGVXAUSA-N	313.486	2.203	70	20	DEID	
CC[C@@]1(C)C[C@@H]1C(=O)N1CCN(C(=O)c2cccs2)CC1	159884349	LGTZVOVQGRGRAU-WBMJQRKESA-N	306.431	2.469	70	20	DEID	
Cc1ccc(F)cc1NC(=O)N(CCS(C)(=O)=O)C1CC1	159934386	FRBVEYULLFAJPC-UHFFFAOYSA-N	314.382	2.175	70	20	DEID	
Cc1cccc([C@H](NC(=O)Cn2cccn2)c2ccccn2)c1	159780881	KGWPPFWSDSEWCE-SFHVURJKSA-N	306.369	2.492	70	20	DEID	
CC(C)[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1348034781	NLVSJLQYUBPBKW-JTQLQIEISA-N	302.371	2.181	70	20	DEID	
Cc1ccc(C2(C(=O)N[C@H]3CCC[C@@H]3O)CCOCC2)cc1	161195705	PBQFRVDJOORJQD-HOTGVXAUSA-N	303.402	2.073	70	20	DEID	
CC[C@@H](CNC(=O)[C@@H](C)N)Cc1cccc(Br)c1	161224169	WNJXOOUEAIIRRS-GHMZBOCLSA-N	313.239	2.481	70	20	DEID	
C[C@@H]1C[C@H]1c1ccc(CN(C(=O)C2(NC(N)=O)CC2)C2CC2)o1	160206024	KUEQDNMODLGLNF-ZWNOBZJWSA-N	317.389	2.095	70	20	DEID	
C[C@H](O)C1CCN(C(=O)Nc2ccn(CC(F)(F)F)n2)CC1	160554710	GDQVNMXLCMMBKQ-VIFPVBQESA-N	320.315	2.070	70	20	DEID	
C[C@@H](CC(=O)N[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(F)cc1F	160665206	VZQSATLWPSSGKN-CMPLNLGQSA-N	322.355	2.338	70	20	DEID	
CCCN(CC)c1ccc(C(=O)Nc2ccc(=O)n(C)c2)cn1	160764651	UJNBMDFENLQFLG-UHFFFAOYSA-N	314.389	2.269	70	20	DEID	
CCN(Cc1cccc(F)c1)C(=O)Cn1cc(C2CC2)nn1	159619616	AZTKDCHZRWCATR-UHFFFAOYSA-N	302.353	2.343	70	20	DEID	
C[C@H]1CCc2ccccc2N1C(=O)CN(C)C[C@@H]1CCC[C@@H]1O	159463211	JTBJJPHDJMVWMU-ZVZYQTTQSA-N	316.445	2.447	70	20	DEID	
Cc1noc(C)c1[C@@H](C)CNC(=O)NC[C@@H](C)CN1CCCC1	159660594	CGCUBZOAEWZSCG-OLZOCXBDSA-N	322.453	2.426	70	20	DEID	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)NCC(C)(C)N1CCOCC1	159490785	FNNGDLFEXSIBNJ-KBPBESRZSA-N	322.474	2.387	70	20	DEID	
CCN(CC)c1ncc(CN2CCC(CC(N)=O)CC2)s1	159718842	INZRPNKLKIHOSB-UHFFFAOYSA-N	310.467	2.077	70	20	DEID	
CC(C)CN(CC(N)=O)C(=O)c1cc2ccc(Cl)cc2[nH]1	159729970	JSVSDUGSKAJYDR-UHFFFAOYSA-N	307.781	2.405	70	20	DEID	
CC(C)C[C@@H](C)OCCC(=O)N1CCC(n2ccnn2)CC1	159950540	GJQLVFFBWAGHRZ-CQSZACIVSA-N	308.426	2.283	70	20	DEID	
C[C@@H]1C[C@@H](C)[C@@H](C(=O)Nc2ccc(S(=O)(=O)F)c(F)c2)O1	857673234	WMOOWEDWGXFSSD-RWYTXXIDSA-N	319.329	2.236	70	20	DEID	
O=S(=O)(F)c1ccc(NC[C@H]2CC3(CCC3)CO2)nc1	1550642407	JJPUSKBJVXQRCI-SNVBAGLBSA-N	300.355	2.111	70	20	DEID	
CC(C)[C@H](C(=O)NC1CC=CC1)n1nnc(-c2ccccc2)n1	161016327	RMVPSPWOCRGSKF-OAHLLOKOSA-N	311.389	2.372	70	20	DEID	
CCCCCN(CCO)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2	161123472	ZQLGHQGXPYWVKN-KFWWJZLASA-N	310.438	2.138	70	20	DEID	
CC(C)(C)OC(=O)N[C@H]1CCN(CCCN2CCCCC2)C1	161351413	XHHYUOUQDRKXMD-HNNXBMFYSA-N	311.470	2.461	70	20	DEID	
O=C(CCC1CCCC1)CSc1nnc(Cn2cncn2)o1	160053912	KMEHFSKGLWLCCH-UHFFFAOYSA-N	321.406	2.341	70	20	DEID	
CC(C)[C@H](CNC(=O)[C@@H](C)c1ccsc1)N1CCN(C)CC1	160056014	PZQZATFZBUQPHW-HOCLYGCPSA-N	323.506	2.240	70	20	DEID	
CN(CC(=O)NC1CC1)C(=O)c1cncc(-c2ccccc2)c1	160113785	GDMLLVMMBFNINT-UHFFFAOYSA-N	309.369	2.099	70	20	DEID	
Cc1c(CNC(=O)NCCCCN2CCCC[C@@H]2C)cnn1C	160267556	VGIAGHLVJYOCKM-AWEZNQCLSA-N	321.469	2.182	70	20	DEID	
Cc1ccc(C(=O)N(C)CC(C)(C)CN2CCOCC2)cc1	160274025	OCZQOLOPGNKXJF-UHFFFAOYSA-N	304.434	2.425	70	20	DEID	
Cc1ccc(N2CC[C@H](N3CC[C@H](N4CCCC4)C3)C2=O)cc1	160338408	AWEYKVWTBNUMDG-ROUUACIJSA-N	313.445	2.270	70	20	DEID	
COc1cccc(C(=O)N2CCOC[C@@H]2[C@@H]2CCCCC2=O)c1	160527947	LYOQNSYEFWWWRB-JKSUJKDBSA-N	317.385	2.296	70	20	DEID	
CCN(CC)C(=O)[C@H](c1ccccc1)N(C)C[C@H](O)C1CC1	160771168	TYRLAKCGZLIXKR-IRXDYDNUSA-N	304.434	2.299	70	20	DEID	
Cn1ccnc1CN1CCC(NC(=O)Nc2ccccc2)CC1	160838602	PVDLVSLWUAUCFF-UHFFFAOYSA-N	313.405	2.206	70	20	DEID	
Cc1ccc(NC(=O)C(=O)N(C)Cc2ccc(F)c(F)c2)cn1	160850168	INUGXWJVNZACFH-UHFFFAOYSA-N	319.311	2.265	70	20	DEID	
COc1cc(N(C)C(=O)[C@H]2CCC[C@H](N)C2)cc(OC)c1OC	160854520	FURXQVYXBSRUIG-RYUDHWBXSA-N	322.405	2.193	70	20	DEID	
CNC(=O)COc1cccc(CC(=O)O[C@@H]2CCC[C@@H](C)C2)c1	159630613	ZXMLTVQYCIMYIH-CZUORRHYSA-N	319.401	2.476	70	20	DEID	
N[C@@H](Cc1ccccc1)C(=O)NCCCc1cccc(F)c1	159451164	VQTPQUMYMRGTOQ-KRWDZBQOSA-N	300.377	2.445	70	20	DEID	
C[C@@H]1C[C@H](C(=O)Nc2ccc(S(=O)(=O)F)cc2)CCC1=O	460097125	VVXFXJXTHUZBRP-NXEZZACHSA-N	313.350	2.289	70	20	DEID	
Cc1ccc(NC(=O)C[C@H]2CCCOC2)cc1S(=O)(=O)F	857673648	HASDWMOUTQREDN-LLVKDONJSA-N	315.366	2.408	70	20	DEID	
CC1(C)CC(NC(=O)N[C@@H](CCO)C(C)(C)C)CC(C)(C)N1	161128779	PNQCVPBYVYCDIF-ZDUSSCGKSA-N	313.486	2.392	70	20	DEID	
CN(C)c1cccc(C(=O)N[C@H]2CCN(c3ccccn3)C2)c1	161442028	KLXCGMYKFDZILA-HNNXBMFYSA-N	310.401	2.156	70	20	DEID	
Cc1ccc(-c2n[nH]c(NC(=O)CCN3CCCC3=O)c2C)o1	161480679	PSHRZHGFMHMRSL-UHFFFAOYSA-N	316.361	2.238	70	20	DEID	
Cc1c(/C=C/C(=O)N[C@H](C)c2ccc3c(c2)CC(=O)N3)cnn1C	160015564	FJBJNRKKTRPLLU-OKPNEXGHSA-N	324.384	2.114	70	20	DEID	
Cc1c(CNC(=O)NCCCCN2CCC[C@@H](C)C2)cnn1C	160271448	RGNASISCZHYHKM-CQSZACIVSA-N	321.469	2.040	70	20	DEID	
CCC(N)(CC)CNC(=O)Cc1ccccc1OC(F)F	160473820	JMCKZJPLBJARSK-UHFFFAOYSA-N	300.349	2.464	70	20	DEID	
CC[C@H](NC(=O)Nc1cccc(C(=O)NC)c1C)[C@H]1CCCO1	160490752	HSHNLANJKOXUAQ-DZGCQCFKSA-N	319.405	2.434	70	20	DEID	
CN[C@@H]1CCN(C(=O)Cc2csc(Cc3ccccc3)n2)C1	160571608	LXMWLNIZVKSWIP-CQSZACIVSA-N	315.442	2.097	70	20	DEID	
CN(C(=O)c1ccnc(-n2cccn2)c1)c1ccc2c(c1)OCO2	160585392	HPQYDSVWFXXWDL-UHFFFAOYSA-N	322.324	2.273	70	20	DEID	
CCO[C@H](C)c1noc(CN2CC[C@]3(O)CCCC[C@@H]3C2)n1	160706250	BBJJWLSAQVLNTI-XJKCOSOUSA-N	309.410	2.294	70	20	DEID	
Cc1nc2ccccn2c1CN1CCC[C@@H](CCC(N)=O)C1	159616321	NHHSRQJQYFYFCZ-AWEZNQCLSA-N	300.406	2.120	70	20	DEID	
Cc1cc(C(=O)N2CCN(CCOCC3CC3)CC2)c(C)o1	159619731	MCTWCWWTRILVBH-UHFFFAOYSA-N	306.406	2.081	70	20	DEID	
COC(=O)C(C)(C)NCCCc1nc(-c2ccccc2)no1	159530213	BHMYHKWZAYWMFG-UHFFFAOYSA-N	303.362	2.210	70	20	DEID	
Cc1noc(C)c1S(=O)(=O)Nc1ccc(Cl)cc1O	160395400	CKKBUMLDOKVOJN-UHFFFAOYSA-N	302.739	2.451	70	20	DEID	
O=C(c1cccc(S(=O)(=O)F)c1)N1CCC[C@H](CF)C1	1338819078	GVVMGTBCZOOVCX-SNVBAGLBSA-N	303.330	2.167	70	20	DEID	
O=C1C(=O)N(Cc2nccs2)C(=O)N1CCC1=CCCCC1	161186453	DIWPDYMGJDSKKX-UHFFFAOYSA-N	319.386	2.324	70	20	DEID	
C[C@H](NC(=O)Nc1cccc(OCC(=O)N(C)C)c1)C1CCC1	161278390	PLZCKYOMVOFVQH-LBPRGKRZSA-N	319.405	2.464	70	20	DEID	
COCc1ccc([C@H]2CCCN2C(=O)Cc2ccn(C)n2)o1	161279666	BHGBLUBFKNOGHC-CQSZACIVSA-N	303.362	2.066	70	20	DEID	
Cc1n[nH]cc1CNc1ccc(OC2CCN(C)CC2)nc1	160114387	KWCJHAOBMXSRQJ-UHFFFAOYSA-N	301.394	2.198	70	20	DEID	
O=S(=O)(c1cccs1)N1CCC[C@H](N2CCCC2)CC1	160175241	IBHRYANNAXNOII-ZDUSSCGKSA-N	314.476	2.387	70	20	DEID	
C[C@@H]1CN(C(=O)[C@@H](N)C(C)(C)C)C[C@@H](c2ccc(F)cc2)O1	160510021	VCEVQHHKAHFECY-BYCMXARLSA-N	308.397	2.488	70	20	DEID	
COc1cccc(CCCNC(=O)N(C)C[C@H]2CCC[C@@H]2O)c1	160599951	QIHNVILBERCLRE-WBVHZDCISA-N	320.433	2.430	70	20	DEID	
CCn1cnnc1CNC(=O)CCc1c[nH]c2c(C)cccc12	160659909	CPTNIWJOHPGSHS-UHFFFAOYSA-N	311.389	2.337	70	20	DEID	
O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)N(CCO)CC1CC1	160673396	MRXBZBLYBWZHFV-SJORKVTESA-N	318.417	2.321	70	20	DEID	
CCCn1c(C)nnc1CN1CCN([C@H](C)C(F)(F)F)CC1	160683998	VCEIYHGGZCMFPE-LLVKDONJSA-N	319.375	2.065	70	20	DEID	
CC(C)Oc1cncc(C(=O)Nc2nnc(-c3ccccn3)[nH]2)c1	160883102	ISRLOUTXUYXGTH-UHFFFAOYSA-N	324.344	2.301	70	20	DEID	
Cc1ccc(-c2n[nH]c(NS(=O)(=O)c3cccnc3)c2C)o1	160971993	XHLWAFHJFDHPCC-UHFFFAOYSA-N	318.358	2.482	70	20	DEID	
COc1ccc(C)cc1NC(=O)NCCCNC(=O)C(C)C	159414975	KUAKRFMDIPRAQU-UHFFFAOYSA-N	307.394	2.287	70	20	DEID	
C[C@]1(c2ccccc2)CN(C(=O)[C@H](N)Cc2ccccc2)CCO1	159646281	OAYWAIQPXGCHLL-UYAOXDASSA-N	324.424	2.331	70	20	DEID	
CC(C)CN(CC(N)=O)C(=O)COc1cccc(C(C)C)c1	159726055	HRIIIGHTEHABKG-UHFFFAOYSA-N	306.406	2.159	70	20	DEID	
NC(=O)CC1CCN(Cc2ccc(OCC(F)F)cc2)CC1	159745219	NMURYLNYXGVXEG-UHFFFAOYSA-N	312.360	2.418	70	20	DEID	
CCS(=O)(=O)CCN(C)C(=O)N[C@H](C)c1ccc(C)cc1	159953641	NNGHRUSAHYJILU-CYBMUJFWSA-N	312.435	2.132	70	20	DEID	
CCN(CCS(C)(=O)=O)C(=O)Nc1ccc(Cl)cc1	159799032	YKCLBDQVMUTHHR-UHFFFAOYSA-N	304.799	2.238	70	20	DEID	
CC(C)NC(=O)CN[C@H](C)c1cnn(Cc2ccccc2)c1	160983513	KFLDVGFITPQJQI-CQSZACIVSA-N	300.406	2.107	70	20	DEID	
O=C(Cc1ccc(S(=O)(=O)F)cc1)N1C[C@H]2CC=CC[C@H]2C1	1338980718	UNOVNSONZFURDB-OKILXGFUSA-N	323.389	2.312	70	20	DEID	
C[C@@H]1CC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H](C)C1	1262732400	GOHCUOXCBQAEQJ-IUCAKERBSA-N	302.371	2.227	70	20	DEID	
CC(C)OC(=O)c1ccn(CC(=O)c2ccc(F)cc2)c(=O)c1	161050316	NTSZSFPBMSBCEW-UHFFFAOYSA-N	317.316	2.436	70	20	DEID	
C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)CCC2)C1CCOCC1	161085176	YFOYQYRIIBZNLG-GFCCVEGCSA-N	316.401	2.045	70	20	DEID	
O=C(Cn1nc(C2CC2)nc1C1CC1)NCc1ccc(F)cc1	161461948	URWLRJYJPONGOY-UHFFFAOYSA-N	314.364	2.488	70	20	DEID	
CN(C)Cc1ccc(C(=O)NCCCOCC(F)(F)F)cc1	160019751	RZYYJAQXOZDSRZ-UHFFFAOYSA-N	318.339	2.447	70	20	DEID	
Cc1nc(NC(=O)[C@@H](C)OC[C@@H]2CCCO2)cc(C2CC2)n1	160066682	NUHMTTFYLXIFAX-MFKMUULPSA-N	305.378	2.185	70	20	DEID	
CCCc1cc(C(=O)Nc2nnc(-c3ccc(C)o3)[nH]2)[nH]n1	160422622	JVSQHPNYSXPXGT-UHFFFAOYSA-N	300.322	2.301	70	20	DEID	
Cc1ccc(CCCC(=O)NCC2CCN(CCO)CC2)cc1	160595104	WRGGBZWBJDMXJF-UHFFFAOYSA-N	318.461	2.138	70	20	DEID	
C[C@@H](CCO)CNC(=O)/C=C/c1cc(Cl)c2c(c1)OCO2	160982628	GYBOLILKFHZCIX-PBKGFPTLSA-N	311.765	2.217	70	20	DEID	
CC[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1	159814905	MTFPVINBFWMMNH-IIAWOOMASA-N	315.417	2.125	70	20	DEID	
C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)CNC[C@@H]1CCCO1	159444427	DHKKSRIWINIDAH-BBRMVZONSA-N	324.852	2.498	70	20	DEID	
CCn1c(C(=O)N(CC(N)=O)CC(C)C)cc2ccccc21	159691934	ZGGPPSQVISEXQR-UHFFFAOYSA-N	301.390	2.245	70	20	DEID	
COc1ccc(NC(=O)C(=O)N2CCC3(CCC3)C2)c(OC)c1	159364736	HVMQSUJNYFWGEI-UHFFFAOYSA-N	318.373	2.045	70	20	DEID	
Nc1ccc(Cl)c(C(=O)OCc2nnc3n2CCCC3)c1	217322742	NALKHKBLAVGUGX-UHFFFAOYSA-N	306.753	2.207	70	20	DEID	
CN(C)c1ncccc1C(=O)Nc1cccc(S(=O)(=O)F)c1	460091282	JNUHXLRFULRBKR-UHFFFAOYSA-N	323.349	2.058	70	20	DEID	
Cc1cc(NC(=O)c2ccc(S(=O)(=O)F)cc2)cnc1O	864241016	HHXYGWMIWVGMRA-UHFFFAOYSA-N	310.306	2.006	70	20	DEID	
COC/C(C)=C\C(=O)Nc1ccc(F)c(CS(=O)(=O)F)c1	876319830	PARNERQMOTVEMB-UITAMQMPSA-N	319.329	2.156	70	20	DEID	
CCNCC1CCN(C(=O)CSC[C@@H]2CCCCO2)CC1	161108989	CJFGVIDUESZDHS-HNNXBMFYSA-N	314.495	2.137	70	20	DEID	
NC(=O)C[C@@H](Nc1nc2cc(F)ccc2o1)C1CCOCC1	161258622	NSAHNOYDRIRIIG-LLVKDONJSA-N	307.325	2.049	70	20	DEID	
COC[C@@H](O)CCNC(=O)[C@H](C)Oc1cccc(C(C)C)c1	161338218	SYDHVLWSRFRFDY-ZFWWWQNUSA-N	309.406	2.091	70	20	DEID	
Cc1ocnc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C	161478669	OCMAJNOTWWFXAX-SNVBAGLBSA-N	309.366	2.064	70	20	DEID	
CC(C)[C@@H]1C(=O)NCCN1Cc1noc(C2CCCCC2)n1	160116258	ODQWVMUPUKQBPL-CQSZACIVSA-N	306.410	2.074	70	20	DEID	
CCc1ncc(C(=O)N2CCOC[C@H]2[C@H]2CCCCC2=O)s1	160479961	YVFVPAWROSAIQK-NEPJUHHUSA-N	322.430	2.306	70	20	DEID	
CCOCCC1(C(=O)N2CCN(c3ccccn3)CC2)CCC1	160629403	IVCVABPVSGYMEZ-UHFFFAOYSA-N	317.433	2.327	70	20	DEID	
COc1ccc(C(=O)N2CCOC[C@H]2[C@@H]2CCCCC2=O)cc1	160642967	TYZWEPFPTOHIHO-HOTGVXAUSA-N	317.385	2.296	70	20	DEID	
CCC[C@@H](N)C(=O)NCc1nc(-c2cccc(Cl)c2)no1	160937825	MYCAGFSGUMHFHB-LLVKDONJSA-N	308.769	2.134	70	20	DEID	
Cc1nn(C)c(C)c1CC(=O)N[C@H]1CCOC2(CCCC2)C1	159411696	RJXTYYZENQMXTI-AWEZNQCLSA-N	305.422	2.187	70	20	DEID	
Cc1ccc(C)c(-n2ncc(C(=O)N[C@H](C)c3nc[nH]n3)c2C)c1	159835488	JPOCUCSASPLMBF-GFCCVEGCSA-N	324.388	2.407	70	20	DEID	
COCCCOCCN(C)C(=O)c1cc(C)nc(Cl)c1	159875646	DSRDPQYIGSJQRI-UHFFFAOYSA-N	300.786	2.169	70	20	DEID	
CCCCNC(=O)C(=O)Nc1cnn(-c2ccccc2)c1C	159918564	OSXQMDXPCXZOFI-UHFFFAOYSA-N	300.362	2.036	70	20	DEID	
COc1ccc(NC(=O)c2cccc(S(=O)(=O)F)c2)c(C)n1	1338390274	OZNDFPCSPKGRHS-UHFFFAOYSA-N	324.333	2.309	70	20	DEID	
CN(C(=O)c1csc(S(C)(=O)=O)c1)C(C1CC1)C1CC1	161121345	FFJFVQDDWPSMJL-UHFFFAOYSA-N	313.444	2.412	70	20	DEID	
CN(CC(=O)N1CCc2ccc(F)cc2C1)[C@H]1CCSC1	161479635	DKOLPRXQKKMGAT-HNNXBMFYSA-N	308.422	2.148	70	20	DEID	
CCCN(CC(=O)N1CCCC1)[C@H](C)C(=O)Nc1ccccc1	160000321	GZYMZWIAZLLAPW-OAHLLOKOSA-N	317.433	2.348	70	20	DEID	
CCCCN1CCc2ccc(NS(=O)(=O)CCOC)cc21	160204098	AJAJAKLKYYMESW-UHFFFAOYSA-N	312.435	2.237	70	20	DEID	
CCC(O)(CC)CNS(=O)(=O)c1cc(C)c(F)c(C)c1	160209438	MUBVDOPYVQKZMR-UHFFFAOYSA-N	303.399	2.272	70	20	DEID	
C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N(C)[C@@H](C)CO	160368021	ZAUDIBARCBMWOG-UWVGGRQHSA-N	305.296	2.312	70	20	DEID	
COc1cccc(CCCN2CCN(CC(C)(C)O)CC2)c1	160425638	QNFVLYXWHXTFOG-UHFFFAOYSA-N	306.450	2.016	70	20	DEID	
CC(C)(CNC(=O)N[C@@H]1CCCc2cc(F)ccc21)C(N)=O	160597185	ZKWUWVVWKDHTEB-CYBMUJFWSA-N	307.369	2.014	70	20	DEID	
C[C@H]1CCC[C@H](C(=O)N2CCC(CN3CCOCC3)CC2)C1	160735808	RPNFVJLDNJPEGA-RDJZCZTQSA-N	308.466	2.384	70	20	DEID	
CCCCN(Cc1ccc2cn[nH]c2c1)[C@@H]1CCS(=O)(=O)C1	160761384	MUKVBFPBJWMHNL-OAHLLOKOSA-N	321.446	2.352	70	20	DEID	
CNC(=O)CCCN(C)C(=O)Nc1ccccc1OC(C)C	160799308	BOSSRECOOYNWAX-UHFFFAOYSA-N	307.394	2.464	70	20	DEID	
CC(C)(C)c1ccc([C@H](O)CNC(=O)[C@H]2CCCNC2)cc1	160972368	DERKQHZZHONFDI-GOEBONIOSA-N	304.434	2.133	70	20	DEID	
COc1ccc(C(C)=O)cc1CC(=O)Nc1c[nH]c(=O)c(C)c1	159414652	UCUZXMUIHNJIAX-UHFFFAOYSA-N	314.341	2.076	70	20	DEID	
CCOC(=O)CCc1ccc(NC(=O)N2CC[C@H](CO)C2)cc1	159649474	ASFGRHWQZLEQMM-AWEZNQCLSA-N	320.389	2.028	70	20	DEID	
NC(=O)[C@H]1CCCCN1C(=O)c1ccc(Cl)c(Cl)c1	159861026	DMTYFVZDKWRPNS-LLVKDONJSA-N	301.173	2.473	70	20	DEID	
O=C(NCC1(CO)CCOCC1)Nc1cc(Cl)ccc1F	159903825	UNQSEZZKKBBKMG-UHFFFAOYSA-N	316.760	2.390	70	20	DEID	
CCN(C1CCN(C(=O)CCC(C)(C)C)CC1)S(C)(=O)=O	159583165	ICBXTGNSLSRGLX-UHFFFAOYSA-N	318.483	2.085	70	20	DEID	
C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)c2ccccc21	1349546357	JFJVLRFUKDHHDU-SECBINFHSA-N	308.334	2.437	70	20	DEID	
O=C(NCc1ccccc1F)c1cccc(S(=O)(=O)F)c1	1262672702	IWZGZGVYPVKJMU-UHFFFAOYSA-N	311.309	2.414	70	20	DEID	
C[C@H](N1CCN(CCCN2CCCCC2)CC1)C(F)(F)F	161421897	KNTZPKCQGYJPAE-AWEZNQCLSA-N	307.404	2.431	70	20	DEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@H]2CCCC[C@H]2C1	1527390938	ANSILMIITSOPHA-MNOVXSKESA-N	314.382	2.325	70	20	DEID	
O=S(=O)(F)c1ccc(NC[C@]23C[C@H]2COC32CCC2)nc1	1551208197	HGRDDLPREKNUHY-GXFFZTMASA-N	312.366	2.111	70	20	DEID	
CSc1cccc(NC(=O)C(=O)N[C@H](C)C2CCOCC2)c1	161165881	JAWQFJPWWVUITH-LLVKDONJSA-N	322.430	2.278	70	20	DEID	
COC(=O)COc1ccc(NC(=O)C(F)(F)F)cc1Cl	161172874	DSFIEGFHABAJEG-UHFFFAOYSA-N	311.643	2.393	70	20	DEID	
CC[C@H]1c2ccccc2CCN1C(=O)C(=O)Nc1nocc1C	161201358	RTEHGLWPIKSYMD-AWEZNQCLSA-N	313.357	2.458	70	20	DEID	
CC(C)[C@H](O)CCNC(=O)Nc1ccc(-c2ncn(C)n2)cc1	161350996	FLLMTQSXJQGUFZ-CQSZACIVSA-N	317.393	2.011	70	20	DEID	
CCC(CC)CNC(=O)N1CCN(Cc2ccccn2)CC1	160325598	CYKHNHQRQCGFHE-UHFFFAOYSA-N	304.438	2.345	70	20	DEID	
Cn1cnc(-c2ccc(NC(=O)NC[C@H]3CCCCO3)cc2)n1	160471802	HSKVZKFIEXQBTD-CQSZACIVSA-N	315.377	2.173	70	20	DEID	
CC(C)CN1CCC[C@@H]1CNC(=O)COc1ccc(F)cc1	160491209	OHUCAIDVZHBJJN-OAHLLOKOSA-N	308.397	2.441	70	20	DEID	
CCCC1(CNC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)CC1	160573848	ZWJZZLJDMZPJEQ-JTQLQIEISA-N	306.328	2.094	70	20	DEID	
C[C@@H]1CCC[C@@H](CNC(=O)c2ccc3[nH]c(=O)n(C)c3c2)C1	160783897	UEKIAUDFPYRXQI-VXGBXAGGSA-N	301.390	2.423	70	20	DEID	
CCCCN(CCOC)C(=O)N[C@@H]1CCN(C2CCCC2)C1	160843449	ZNLPNIMPCLTFAU-OAHLLOKOSA-N	311.470	2.461	70	20	DEID	
CN(C(=O)c1ccc(OC(F)(F)F)cc1)[C@H](CN)C1CC1	159821180	WUAWAARJPORGEH-GFCCVEGCSA-N	302.296	2.395	70	20	DEID	
C[C@@H](NC(=O)N1CCCN(CC(F)F)CC1)c1ccccn1	159830300	XDEMKFWPXCJUCX-GFCCVEGCSA-N	312.364	2.125	70	20	DEID	
CCN(CCS(C)(=O)=O)C(=O)Nc1ccccc1SC	159965998	BKXQQQWLZPKNGD-UHFFFAOYSA-N	316.448	2.307	70	20	DEID	
NC(=O)c1cccc(C(=O)N[C@@H]2CCOC3(CCCC3)C2)c1	159962231	KQBIJGUTPAAPPY-CQSZACIVSA-N	302.374	2.007	70	20	DEID	
CS[C@H](CO)[C@H](C)NC(=O)c1cc(F)c(Cl)cc1F	159655472	DLBRYNIAIOUYLL-UPONEAKYSA-N	309.765	2.460	70	20	DEID	
CC[C@@H](C)[C@@H](OC)C(=O)Nc1ccc(S(=O)(=O)F)cc1	460093719	QBGPZURKFAORJZ-BXKDBHETSA-N	303.355	2.344	70	20	DEID	
CC[C@](C)(OC)C(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	857672934	MOTNHIARLANFSF-LBPRGKRZSA-N	307.318	2.238	70	20	DEID	
N#Cc1cccc(CNC(=O)c2ccc(S(=O)(=O)F)cc2)c1	864238437	KIWAZQZEBGIDCH-UHFFFAOYSA-N	318.329	2.146	70	20	DEID	
O=C(N[C@@H]1CCC[C@H](C2CC2)C1)c1cc(S(=O)(=O)F)c[nH]1	1338942031	BFKOZECUYRVKEL-WDEREUQCSA-N	314.382	2.372	70	20	DEID	
C[C@H]1CCSCCN1C(=O)c1cccc(S(=O)(=O)F)c1	1337493034	ZRCJNWGFXNZJHX-JTQLQIEISA-N	317.407	2.312	70	20	DEID	
Cn1cnnc1CSc1nnc(N2CCCCC2)n1C1CC1	161016386	RBAPVYOCWWJZHB-UHFFFAOYSA-N	319.438	2.024	70	20	DEID	
CC(C)C(=O)Nc1ccc(C(=O)N[C@@H]2CCC[C@H](N)C2)cc1	161114487	QYYZYUVKEOKCMV-DZGCQCFKSA-N	303.406	2.281	70	20	DEID	
CCc1nn(C)c(Cl)c1C(=O)NCc1cccc(N(C)C)n1	161339260	QTVVBJODYFXGTQ-UHFFFAOYSA-N	321.812	2.027	70	20	DEID	
O=C(CCC(=O)c1ccc(F)cc1)NCCSCCCO	161461701	JYKZEAUXNMLIKU-UHFFFAOYSA-N	313.394	2.020	70	20	DEID	
Cc1ccnc2nc(C(=O)N[C@H]3CCCc4sccc43)nn12	160016026	CAEQIVRKPRUHNC-NSHDSACASA-N	313.386	2.302	70	20	DEID	
CC(C)OC(=O)CCCNC(=O)N1CCCC[C@H]1c1ncc[nH]1	160138209	NHYHWHCFKNAELL-ZDUSSCGKSA-N	322.409	2.378	70	20	DEID	
C[C@@]1(O)CCCN(C(=O)NCC2(c3ccc(F)cc3)CC2)C1	160502207	YVVFKCXKMYYVIF-MRXNPFEDSA-N	306.381	2.414	70	20	DEID	
CC(C)(C)[C@H](CCO)NC(=O)Nc1ccn(CC(F)(F)F)n1	160892826	DETMUYHQTLHBGW-VIFPVBQESA-N	322.331	2.364	70	20	DEID	
COC(=O)c1ccc2[nH]cc(C(=O)CN(C)CC(F)F)c2c1	160908921	IZNJPHXHORTWES-UHFFFAOYSA-N	310.300	2.334	70	20	DEID	
CCc1ccc(CN2CCCC[C@@H]2CCNS(C)(=O)=O)o1	159412197	NLHNZIPGGFHIMN-CYBMUJFWSA-N	314.451	2.136	70	20	DEID	
COC(=O)CCCC(=O)N1CCN([C@H](C)c2ccsc2)CC1	159422265	JPTGDUPRPWLBRQ-CYBMUJFWSA-N	324.446	2.297	70	20	DEID	
C[C@@H](CCn1cccn1)Nc1ccc(NC(=O)CN(C)C)cc1	159456928	PPVCZMYJDZPXAB-AWEZNQCLSA-N	315.421	2.274	70	20	DEID	
CCCn1cc(C(=O)Nc2cccc(S(=O)(=O)F)c2)cn1	460088447	CPSWBAWBQMOXOR-UHFFFAOYSA-N	311.338	2.204	70	20	DEID	
CS[C@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(C)(C)C	1337519624	COIXDWPNJABNLK-SNVBAGLBSA-N	322.427	2.180	70	20	DEID	
COC(=O)[C@@H]1C[C@H]1C(=O)N1CC[C@H](Oc2ccccc2Cl)C1	161226235	PHQPDUVITXQLSB-QJPTWQEYSA-N	323.776	2.129	70	20	DEID	
NC(=O)C[C@@H]1CCCN(C(=O)Nc2c(F)cc(F)cc2F)C1	161314375	SKFLAKPNNJODQU-QMMMGPOBSA-N	315.295	2.223	70	20	DEID	
CCc1ccccc1NC(=O)CN1CCN(c2ccncc2)CC1	161345181	YYHOBFKWLKKHRR-UHFFFAOYSA-N	324.428	2.405	70	20	DEID	
CCO[C@H]1C[C@@H](O)C12CCN(CCCN1CCCCC1)CC2	161376126	DIDYGUQEJOVMKF-SJORKVTESA-N	310.482	2.114	70	20	DEID	
Cc1nc(Cl)cc(N[C@@H]2CCCN(CC(F)(F)F)C2=O)n1	161496975	HRERALYSABVXHF-MRVPVSSYSA-N	322.718	2.404	70	20	DEID	
CC[C@H](C)Oc1ccc(NC(=O)NCC[C@@H](O)COC)cc1	160120236	OVEWHVXCDPAUOV-GXTWGEPZSA-N	310.394	2.383	70	20	DEID	
CN(Cc1ccccc1)CC(C)(C)CN1CCC[C@H]1C(N)=O	160346235	SSTJEBHYGFHVGU-INIZCTEOSA-N	303.450	2.094	70	20	DEID	
O=C1CCc2ccc(NC(=O)[C@@H]3C[C@H]4CCCC[C@@H]4N3)cc2N1	160412567	FTGPSRFRDBKYOS-INWMFGNUSA-N	313.401	2.431	70	20	DEID	
CCC(=O)c1cccc(NC(=O)Cc2c(C)nc(C)[nH]c2=O)c1	160725976	NYSUQEKHKPRSIN-UHFFFAOYSA-N	313.357	2.161	70	20	DEID	
N[C@H]1CCC[C@@H](NC(=O)c2ccc(N3CCCCCC3)nc2)C1	160767040	CJRJNCZFQNDPHJ-JKSUJKDBSA-N	316.449	2.462	70	20	DEID	
CN(C[C@H]1CCCCO1)C(=O)CCNC(=O)C1CCCCC1	160836654	GEGQISNZVDQSTJ-OAHLLOKOSA-N	310.438	2.101	70	20	DEID	
COC(=O)c1cccc(S(=O)(=O)N2CC[C@@H]3CCCC[C@@H]32)c1	159804459	MEPSECWCMYTVKW-WFASDCNBSA-N	323.414	2.426	70	20	DEID	
O=C(Oc1ccccc1)N1CCCN(CCn2ccnc2)CC1	159823860	OZIDNVALBUDHDH-UHFFFAOYSA-N	314.389	2.090	70	20	DEID	
CNC(=O)CCCN(C)C(=O)Nc1nc2ccccc2s1	159845029	LWJAATGZRJHADH-UHFFFAOYSA-N	306.391	2.286	70	20	DEID	
CCN1CCCN(C(=O)NC[C@]2(N(C)C)CCC[C@H](C)C2)CC1	159728132	QASGRPZYZRXJKW-WMZOPIPTSA-N	324.513	2.234	70	20	DEID	
CCCN(CCCNC(C)=O)[C@H](C)C(=O)Nc1ccccc1	159987251	JLOSTDOBILTUSD-CQSZACIVSA-N	305.422	2.252	70	20	DEID	
OC[C@@H]1CCN(c2nc(-c3ccc(F)cc3)cs2)C[C@H]1O	216837863	XHPFYQLKKZELPH-SMDDNHRTSA-N	308.378	2.129	70	20	DEID	
CCN(Cc1ccccn1)C(=O)c1cccc(S(=O)(=O)F)c1	1336950118	XIEPYAAUVJIOFI-UHFFFAOYSA-N	322.361	2.402	70	20	DEID	
C[C@@H]1CCCC[C@@]1(C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1262788338	ZIHGXYLVJNVNRX-NOZJJQNGSA-N	302.371	2.372	70	20	DEID	
CO[C@@H]1C[C@@H](N(C)c2ccc(S(=O)(=O)F)cn2)C12CCC2	1550625328	CFFAYTXZWGXXMP-VXGBXAGGSA-N	314.382	2.134	70	20	DEID	
Cc1n[nH]c(C)c1S(=O)(=O)Nc1cccc(OCCF)c1	161195205	ZDGZNPZTFZWBMC-UHFFFAOYSA-N	313.354	2.176	70	20	DEID	
CCC[C@H]1C(=O)NCCN1C(=O)Nc1cc(F)c(F)cc1F	161381374	NSEDHOFDVDYZNT-LBPRGKRZSA-N	315.295	2.236	70	20	DEID	
COC(=O)NC(C)(C)C(=O)N(C)c1ccc(OC)c(Cl)c1	160140232	SPZQSZSZLHYQAX-UHFFFAOYSA-N	314.769	2.446	70	20	DEID	
CC1(C)CN(C(=O)Nc2ccn(CC(F)(F)F)n2)CCO1	160296090	ZXOJICBUZVJYMI-UHFFFAOYSA-N	306.288	2.088	70	20	DEID	
COCCCOc1cccc(C(=O)N[C@H](CO)CC(C)C)c1	160984364	AWKZBGRMYRMDQT-HNNXBMFYSA-N	309.406	2.239	70	20	DEID	
CCC(=O)N1CC[C@H](NC(=O)Nc2ccn(CCC(C)C)n2)C1	159661078	LTVJPGSEERAKDZ-ZDUSSCGKSA-N	321.425	2.062	70	20	DEID	
CC(C)[C@@H](O)CNC(=O)[C@@H]1CCCN(Cc2ccccc2)C1	159705843	FBDFNXAFXKSMMO-SJORKVTESA-N	304.434	2.032	70	20	DEID	
Cc1ncncc1C(=O)N[C@@H](C)c1ccccc1-n1cccn1	159520997	NJQGYPYMPDSFSD-ZDUSSCGKSA-N	307.357	2.462	70	20	DEID	
CC(=O)N1CC[C@@H](NC(=O)[C@@H](C)CSc2ccccc2)C1	159741090	VSPKHYBTKLHIHG-GXTWGEPZSA-N	306.431	2.152	70	20	DEID	
C[C@@H](NC(=O)NC[C@](C)(O)c1ccc(F)cc1)c1ccccn1	159361106	GJGOOVDWJPOYPN-PXAZEXFGSA-N	317.364	2.489	70	20	DEID	
CCS[C@H](C)c1noc(CSCCN2CCOCC2)n1	159772530	AKBNOPZPJZNTQW-LLVKDONJSA-N	317.480	2.449	70	20	DEID	
Cc1ccc(CN2CCCC[C@H]2CCNS(C)(=O)=O)s1	159395637	SCKJFMQQXCXESV-ZDUSSCGKSA-N	316.492	2.350	70	20	DEID	
Cc1nn(C)c(C)c1[C@H]1CCCN1Cc1nsc(N(C)C)n1	159999298	DFQMVRLQSJIHQS-GFCCVEGCSA-N	320.466	2.292	70	20	DEID	
C[C@H](CNC(=O)[C@H]1OCCc2ccccc21)CC1(C)OCCO1	160661354	PGNUJERKGPKQLE-BBRMVZONSA-N	319.401	2.206	70	20	DEID	
O=C(COc1ccccc1)Nc1ccc(S(=O)(=O)F)cc1	185106449	WKGXQRQEOZHIAY-UHFFFAOYSA-N	309.318	2.362	70	20	DEID	
CCO[C@H](C(=O)Nc1cccc(S(=O)(=O)F)c1)C1CC1	460096932	VEWOATPARBKBAV-LBPRGKRZSA-N	301.339	2.098	70	20	DEID	
COCCC(C)(C)CNC(=O)c1cccc(S(=O)(=O)F)c1	1336962208	UMIUJABQKUPBTH-UHFFFAOYSA-N	317.382	2.137	70	20	DEID	
Cc1cc(S(=O)(=O)NC2(C)CCOCC2)c(F)cc1F	161021368	OICPFYGSQJFBIP-UHFFFAOYSA-N	305.346	2.121	70	20	DEID	
O=C1N[C@]2(CCc3ccccc3C2)C(=O)N1Cc1nccs1	161128996	UJAQYAYYXSUIMU-INIZCTEOSA-N	313.382	2.123	70	20	DEID	
CC(C)C[C@H](CO)NC(=O)Cc1cccc(OC(F)F)c1	161243569	DBNNZNREYJACIT-GFCCVEGCSA-N	301.333	2.354	70	20	DEID	
CCCC[C@H](COC)NC(=O)c1c(C)[nH]c(C(=O)OC)c1C	161284768	BSQAXEAFDRBQON-GFCCVEGCSA-N	310.394	2.353	70	20	DEID	
NC(=O)NC1(C(=O)N2CCC[C@@H]2c2ccccc2Cl)CC1	161325782	JMJBOOGRPNEBIV-GFCCVEGCSA-N	307.781	2.204	70	20	DEID	
COC(=O)c1cccc(CC(=O)N(C[C@H]2CCOC2)C2CC2)c1	160071122	UJXMJYHUBAIYTP-CQSZACIVSA-N	317.385	2.043	70	20	DEID	
COc1ccccc1S(=O)(=O)N[C@H](C)c1cccc(O)c1	160124508	YXRYLXJQGAKBEG-LLVKDONJSA-N	307.371	2.440	70	20	DEID	
CC(=O)Nc1cccc([C@H](C)NC(=O)N2CCC[C@@](C)(O)C2)c1	160184603	UZRTZUADTWFMPQ-YVEFUNNKSA-N	319.405	2.262	70	20	DEID	
C[C@H](CO)N(C)C(=O)CCc1ccc(Br)cc1	160391413	JSGWTHAFZPGBBE-SNVBAGLBSA-N	300.196	2.221	70	20	DEID	
COC(=O)C[C@H]1CN(C(=O)c2cccc(C)c2Cl)CCO1	160408453	BWFQETWKFACBSL-NSHDSACASA-N	311.765	2.053	70	20	DEID	
CS[C@@H](C)CNC(=O)Nc1ccc(-c2ncn(C)n2)cc1	160562541	LPCGAILYZZMNCF-JTQLQIEISA-N	305.407	2.355	70	20	DEID	
CCc1nc2c(s1)[C@H](NCC(=O)NCC(F)(F)F)CCC2	160572789	PRTPBNXYGVLWDA-MRVPVSSYSA-N	321.368	2.351	70	20	DEID	
CCCCn1ncc(C(=O)NCc2ccnc(OC)c2)c1C	160683897	OJOSRIIXPBGUTA-UHFFFAOYSA-N	302.378	2.325	70	20	DEID	
CC[C@@H](NC(=O)Nc1cnc2c(c1)c(C)nn2C)[C@H]1CCCO1	160911306	WMUYZCSIEHNGSQ-ZIAGYGMSSA-N	317.393	2.356	70	20	DEID	
CC[C@H]1CCC[C@@H]1NC(=O)Cn1nnc(-c2ccc(C)cc2)n1	159638355	WDWIFGZCRDYXRO-ZFWWWQNUSA-N	313.405	2.343	70	20	DEID	
Cc1c(CCC(=O)N[C@H](C)CN2C[C@@H](C)C[C@@H](C)C2)cnn1C	159446833	KBPYARNBISKAJJ-QLFBSQMISA-N	320.481	2.144	70	20	DEID	
CSC[C@@](C)(O)CNC(=O)Nc1ccnc(C)c1Cl	159739735	MWLSIODWXSYKJC-LBPRGKRZSA-N	303.815	2.279	70	20	DEID	
COC1CCC(C(=O)Nc2ccc(S(=O)(=O)F)cc2)CC1	782583330	CZBUKHVYSSQFDL-UHFFFAOYSA-N	315.366	2.489	70	20	DEID	
O=C(NCCCC(F)(F)F)c1cccc(S(=O)(=O)F)c1	1262788162	UPFRZKACBGNSJF-UHFFFAOYSA-N	313.272	2.417	70	20	DEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC[C@H]1c1ccncc1	1518679464	PBVJIULRUILMMD-ZDUSSCGKSA-N	323.349	2.045	70	20	DEID	
CC(C)[C@H]1[C@H](C(C)C)CN1C(=O)c1cc(S(=O)(=O)F)c[nH]1	1521437293	CZECNXJBRJEWJF-AAEUAGOBSA-N	316.398	2.426	70	20	DEID	
CC(C)N(C(=O)[C@H](C)N1CCN(c2ccncc2)CC1)C(C)C	161388987	UGAGQYSLTMSZCO-INIZCTEOSA-N	318.465	2.238	70	20	DEID	
CCOCCC1(CNC(=O)c2ccnc(N(C)C)c2)CCC1	161391331	ZBNVVPLXLASJMY-UHFFFAOYSA-N	305.422	2.474	70	20	DEID	
COC(=O)c1ccc(F)c(NC(=O)N2CCC[C@H]2C[C@@H](C)O)c1	160110120	BVPDUPALLGRFPR-PWSUYJOCSA-N	324.352	2.380	70	20	DEID	
CC(C)C(=O)N[C@@H]1CCCN(C(=O)C[C@H](C)c2ccncc2)C1	160323226	HRQRETHISBUDLC-GOEBONIOSA-N	317.433	2.338	70	20	DEID	
CNC(=O)c1cccc(NC(=O)N(C)[C@H]2CCSC2)c1C	160489366	BTJPRNLWSKLDIF-NSHDSACASA-N	307.419	2.324	70	20	DEID	
Cc1nc(CC(=O)Nc2ccc3oc(=O)n(C)c3c2)c(C)s1	160653848	QRGFYBIJUMNHRA-UHFFFAOYSA-N	317.370	2.386	70	20	DEID	
Cc1cc(NC(=O)[C@H](NC2CCOCC2)C(C)C)ccc1O	160670709	FGPMJTWIVYEZDS-MRXNPFEDSA-N	306.406	2.432	70	20	DEID	
Cc1nn(C)c(=O)c(-c2nc(COc3ccccc3)no2)c1C	160802019	BJBNMMMKLKSBIH-UHFFFAOYSA-N	312.329	2.026	70	20	DEID	
Cc1ccc(C(=O)NC2CC2)cc1NC(=O)N[C@]1(C)CCOC1	160865983	LWRQEXKLQIEJKK-QGZVFWFLSA-N	317.389	2.188	70	20	DEID	
CC[C@H](C)c1cc(C(=O)NCCCN2C[C@H](C)O[C@H](C)C2)on1	159426572	UEDRGUWVYSVBPO-MELADBBJSA-N	323.437	2.417	70	20	DEID	
CCC(=O)N1CCC[C@H](C(=O)Nc2cc(C3CC3)nc(C)n2)C1	159927046	DOOZHQMZCSZHKF-ZDUSSCGKSA-N	316.405	2.250	70	20	DEID	
CN(CCCNC(=O)N1CCC[C@](C)(O)C1)Cc1ccccc1	159950929	GFDZEJRAKCLKKM-SFHVURJKSA-N	319.449	2.065	70	20	DEID	
CC(C)C[C@@H](CCO)CNC(=O)N[C@H]1CCOC(C)(C)C1	159376535	WZIGVGMWIFRFLR-KGLIPLIRSA-N	300.443	2.288	70	20	DEID	
CC(C)[C@@H](C(=O)NC[C@@H](C[C@H](C)O)c1ccccc1)N(C)C	159766251	VHDMBQWKKBMUCA-UAGQMJEPSA-N	306.450	2.244	70	20	DEID	
COCCOc1ccc(NC(=O)c2cc(C)ncn2)cc1F	159388537	JCYUHZYBKFDUTJ-UHFFFAOYSA-N	305.309	2.202	70	20	DEID	
O=C(N[C@@H]1CCC[C@@H]2OCC[C@@H]21)c1cc(Br)c[nH]1	159898246	USCGETKRRIHKHH-FOGDFJRCSA-N	313.195	2.465	70	20	DEID	
O=C(OC[C@H]1C[C@H]2CC[C@H]1O2)c1cccc(S(=O)(=O)F)c1	1354182033	PCGRJLIFTQWPIW-NQBHXWOUSA-N	314.334	2.069	70	20	DEID	
C[C@@H](CS(=O)(=O)Cl)N(C)C(=O)OCc1ccccc1	219103349	QTQLVXUVFWXCEW-JTQLQIEISA-N	305.783	2.212	70	20	DEID	
C[C@@H](Cn1ccnc1)NC(=O)N[C@H]1[C@H]2CCc3ccccc3[C@@H]21	161042177	NUUCLEBZPWOXLI-STECZYCISA-N	310.401	2.299	70	20	DEID	
COc1ccc(CNC(=O)c2cncc(OC(C)C)c2)cn1	161059290	BXWACAAXMJMUIR-UHFFFAOYSA-N	301.346	2.202	70	20	DEID	
Cc1ccccc1[C@H]1CN(C(=O)[C@@H]2CCCNC2)[C@H](C)CO1	161469591	SFALZMSMOAJHBX-BFYDXBDKSA-N	302.418	2.283	70	20	DEID	
CCC[C@@H]1CN(C(=O)NCc2cccc(NC(C)=O)c2)CCO1	160119787	ROXIOOMIDOGZLJ-MRXNPFEDSA-N	319.405	2.356	70	20	DEID	
C[C@H](CC(=O)NC[C@@]1(O)CCSC1)c1ccc(F)cc1F	160216567	DNAXINLCHGDWDQ-BMIGLBTASA-N	315.385	2.443	70	20	DEID	
NC[C@@H]1CCCN1C(=O)CCc1ccccc1Br	160338285	ZQELRLRCZPPCFZ-LBPRGKRZSA-N	311.223	2.331	70	20	DEID	
O=C(CNC[C@H]1CCCO1)NC1(c2cccc(Cl)c2)CC1	160522364	GSVZSUBUBXELJH-CQSZACIVSA-N	308.809	2.214	70	20	DEID	
CC(C)NC(=O)CN[C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2	160925436	DPTFRVGKZCNDGW-NSHDSACASA-N	303.406	2.092	70	20	DEID	
c1ccc(Cc2noc(CSCCN3CCOCC3)n2)cc1	159894377	QWPWVWPUGZKPNG-UHFFFAOYSA-N	319.430	2.226	70	20	DEID	
CC(C)OC1CCC(NS(=O)(=O)N2CCCCCC2)CC1	159380053	ZRZFTTDJINBUEX-UHFFFAOYSA-N	318.483	2.433	70	20	DEID	
O=C1CCc2cc(C(=O)N[C@H]3CCC[C@H]4OCC[C@H]34)ccc2N1	159789480	IRNZRYLIWPVNPI-VNQPRFMTSA-N	314.385	2.259	70	20	DEID	
CC[C@H](C)OCC(=O)N1CCCN(C(=O)OC(C)(C)C)CC1	159988973	WEIWJJYVUOGPMT-ZDUSSCGKSA-N	314.426	2.271	70	20	DEID	
Cc1ncsc1C(=O)Nc1ccc(S(=O)(=O)F)cc1	185104153	LNVYWFUDESQXMM-UHFFFAOYSA-N	300.336	2.362	70	20	DEID	
C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H]2CCCC[C@@H]12	1123743432	QBQHMDKIAIAIAM-CDMKHQONSA-N	314.382	2.324	70	20	DEID	
O=C(Cc1ccc(S(=O)(=O)F)cc1)N1CCC[C@H](CF)C1	1349774963	FXZMJVYUHZYRNP-GFCCVEGCSA-N	317.357	2.095	70	20	DEID	
CC[C@]1(C)C[C@@H]1C(=O)Nc1nc(C)c(SCC(N)=O)s1	161026409	QGGOQBAMHBBGGZ-AMIZOPFISA-N	313.448	2.404	70	20	DEID	
CC1(O)CCN(C(=O)c2ccc(NC(=O)C3CC3)s2)CC1	161305623	HMODUZSSWWELGH-UHFFFAOYSA-N	308.403	2.084	70	20	DEID	
CC1(NC(=O)NCCNc2nccc(C(F)(F)F)n2)CCC1	161416676	QSYHAHQMYJVVTA-UHFFFAOYSA-N	317.315	2.149	70	20	DEID	
Cc1noc(C)c1C[C@@H](C)NC(=O)N(C)C[C@H]1CCC[C@@H]1O	161427232	OOJAZRQGQAWZTJ-YVLXSGLVSA-N	309.410	2.025	70	20	DEID	
CN(C(=O)CCSCc1nnnn1C1CC1)c1ccccc1	160092259	ALWCHKJWHQBWET-UHFFFAOYSA-N	317.418	2.294	70	20	DEID	
CCC(CC)(CNC(=O)NC[C@H]1CCCS1)C(=O)OC	160178877	CONOYPWBBMESBJ-LLVKDONJSA-N	302.440	2.161	70	20	DEID	
CNC(=O)CCOc1ccc(NC(=O)NC2CC=CC2)cc1	160276479	KPJXNIKPCXHVDC-UHFFFAOYSA-N	303.362	2.042	70	20	DEID	
C[C@H](CC(=O)N(C)Cc1cccn1C)NC(=O)C1CCCCC1	160393512	AWIYWXZZPQMYJU-CQSZACIVSA-N	319.449	2.459	70	20	DEID	
Cc1cc(Cl)cc(C(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)c1	160556978	JVNMVMOOGOKVMJ-RISCZKNCSA-N	306.793	2.389	70	20	DEID	
C[C@H](Cc1cccc(Cl)c1)C(=O)N(C)CC(=O)NC1CC1	160736540	OQHYNLWNNJTGSX-LLVKDONJSA-N	308.809	2.256	70	20	DEID	
NC(=O)CC1CCN(C(=O)c2cc(F)cc3cccnc23)CC1	160844299	BSIPLOYNPMWWPQ-UHFFFAOYSA-N	315.348	2.102	70	20	DEID	
CC[C@@H](O)CCNC(=O)NCc1ccc(OC2CCCC2)nc1	160961667	WOXCWMCOWTWWIA-CQSZACIVSA-N	321.421	2.363	70	20	DEID	
O=C(/C=C/c1ccc(Cl)cc1)NC[C@@H](O)COCC1CC1	159432312	LAVGANLCPNHTTB-SBJJXXPASA-N	309.793	2.257	70	20	DEID	
CCN(CC)[C@@H](C(=O)N1C[C@@H]2CCC[C@H](C1)N2)c1ccccc1	159896747	SUSCEFVAKACQID-FGTMMUONSA-N	315.461	2.422	70	20	DEID	
CC(C)CN(CC(N)=O)C(=O)[C@@H](C)SCc1ccccc1	159706391	CKOOAUSFQQLEHA-CYBMUJFWSA-N	308.447	2.278	70	20	DEID	
C[C@@H]1CCCN(CCNC(=O)CCCc2nc(C3CC3)no2)C1	159903115	KHHXLCWNKDXAPT-CYBMUJFWSA-N	320.437	2.118	70	20	DEID	
C[C@@H](SCCN1CCOCC1)C(=O)N(C)c1ccccc1	159927150	KQGKWNRBYGDXCB-CQSZACIVSA-N	308.447	2.103	70	20	DEID	
CC[C@H](C)CS(=O)(=O)Oc1cc(C(=O)N(C)C)ccc1C	159940127	RJNYHCSWWVTLLR-NSHDSACASA-N	313.419	2.452	70	20	DEID	
Cc1ccc(-n2cc(C)cn2)c(NC(=O)C(=O)NCC(C)C)c1	159952587	KUUMAWVLCMCYJZ-UHFFFAOYSA-N	314.389	2.200	70	20	DEID	
CCOCCN(C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C	159957308	ACBSXNFOWNYYDS-DOTOQJQBSA-N	319.449	2.185	70	20	DEID	
Cc1cc(CNC(=O)Nc2ccc(C(C)(C)C(N)=O)cc2)on1	159959276	NCCUGHKLKOQJLF-UHFFFAOYSA-N	316.361	2.068	70	20	DEID	
Cc1ccc2cc(C(=O)NC[C@@H](O)CN3CCCCC3)[nH]c2c1	159973973	RHLASJYWPFKCTB-OAHLLOKOSA-N	315.417	2.053	70	20	DEID	
c1ccc(-c2noc(C3CCN(CCn4ccnc4)CC3)n2)nc1	159793493	VHEJBQAULCICGG-UHFFFAOYSA-N	324.388	2.208	70	20	DEID	
Cc1cc(F)cc(C)c1S(=O)(=O)NC[C@H](C)N(C)C1CC1	217894739	NWMWREOSIYVXES-LBPRGKRZSA-N	314.426	2.204	70	20	DEID	
COc1ccccc1NC(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1	217285463	YGVCSGSFGJVQKA-LLVKDONJSA-N	305.378	2.216	70	20	DEID	
O=C(Nc1cccc2c1OCO2)c1cccc(S(=O)(=O)F)c1	1121032805	YDSSWWNOHBBVAW-UHFFFAOYSA-N	323.301	2.326	70	20	DEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC2(CCC2)[C@@H]1C1CC1	1348406619	UQYRZFVGSCLBCV-LBPRGKRZSA-N	312.366	2.078	70	20	DEID	
C[C@H](CC(=O)Nc1cc(C2CCOCC2)[nH]n1)[C@@H]1CCCNC1	161331533	VUNTXZNRMULNQZ-TZMCWYRMSA-N	320.437	2.268	70	20	DEID	
Cc1cccc(C(=O)N2CCN(CC(F)(F)F)CC2)c1F	161425217	OGBPICJZNYARDK-UHFFFAOYSA-N	304.287	2.454	70	20	DEID	
COc1cccc(-c2cc(C(=O)N[C@@H](C)[C@H]3CCOC3)[nH]n2)c1	160355141	GEWZPIPDUXWIBI-AAEUAGOBSA-N	315.373	2.240	70	20	DEID	
CNS(=O)(=O)c1cccc(CNC(=O)[C@H]2CCC[C@H](C)C2)c1	160342609	GCQONGPUFLOEPD-JSGCOSHPSA-N	324.446	2.037	70	20	DEID	
CN[C@@H]1CCN(C(=O)Cc2csc(-c3cccc(F)c3)n2)C1	160475302	ANAUKYAQABEJJN-CYBMUJFWSA-N	319.405	2.312	70	20	DEID	
CC[C@@H](NC(=O)c1cnc(C(F)(F)F)nc1)[C@H]1CCCO1	159415802	NRNNFABEIKVZRS-NXEZZACHSA-N	303.284	2.183	70	20	DEID	
O=C(Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1)[C@@H]1CCCCN1	159420853	XGDNSKQKDFBURG-GVDBMIGSSA-N	318.417	2.450	70	20	DEID	
CC(=O)N1CC[C@H](NC(=O)C(C)(C)c2cccc(Cl)c2)C1	159843761	WUJLDCFHYZGNOU-AWEZNQCLSA-N	308.809	2.355	70	20	DEID	
Cc1csc(NC(=O)N[C@@H]2CCN(c3ccccn3)C2)n1	159893188	VRNXBMYFEFPHBJ-LLVKDONJSA-N	303.391	2.247	70	20	DEID	
CC[C@]1(C)C[C@H]1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1	159522758	LOCLAESIGPCXQZ-ZIFCJYIRSA-N	316.445	2.440	70	20	DEID	
CCCCn1ncc(C(=O)Nc2ccc(C(N)=O)cc2)c1C	159374190	BLJAQEYADHZQEQ-UHFFFAOYSA-N	300.362	2.343	70	20	DEID	
CC[C@H](Oc1ccccc1Cl)C(=O)N[C@@H]1CCN(C(C)=O)C1	159562434	ODXHPWIAZKRTJS-OCCSQVGLSA-N	324.808	2.234	70	20	DEID	
CS[C@@H](CO)[C@H](C)NC(=O)c1cc(F)c(Cl)cc1F	159655767	DLBRYNIAIOUYLL-KGFZYKRKSA-N	309.765	2.460	70	20	DEID	
CCCNC(=O)C[C@H]1CSCCN1C(=O)OC(C)(C)C	159592565	SLQKKLAMZZVWJV-NSHDSACASA-N	302.440	2.255	70	20	DEID	
COCCC1(C(=O)Nc2cccc(S(=O)(=O)F)c2)CC1	460091149	JDTGRECWKFYFHN-UHFFFAOYSA-N	301.339	2.100	70	20	DEID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)c1cn2c(n1)CCCC2	460092694	MPOSLGLFHSUMKB-UHFFFAOYSA-N	323.349	2.130	70	20	DEID	
Cc1ccc(NC(=O)c2ccc(S(=O)(=O)F)cc2)c(O)n1	864241352	SNRAAOWZGLOWMI-UHFFFAOYSA-N	310.306	2.006	70	20	DEID	
CC[C@H](COC)NC(=O)c1cc(S(=O)(=O)F)ccc1Cl	1121124344	DQUMBQPZUCBROF-MRVPVSSYSA-N	323.773	2.153	70	20	DEID	
O=C(NCCOc1ccccc1)c1cccc(S(=O)(=O)F)c1	1120866116	GSOFPTVZJRWHIU-UHFFFAOYSA-N	323.345	2.154	70	20	DEID	
Cc1cc(C#N)cc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)c1	1347339070	BXGNUANRMLTPMZ-UHFFFAOYSA-N	307.306	2.105	70	20	DEID	
CC1(C)C[C@H]1C(=O)N1CCN(CCCOCC(F)(F)F)CC1	161007709	ACYBWNZHCIZZIM-LBPRGKRZSA-N	322.371	2.146	70	20	DEID	
CC(=O)CCc1ccc(OCC(=O)N[C@H](CO)CC(C)C)cc1	161091253	RBTYAGXQWMXACR-INIZCTEOSA-N	321.417	2.110	70	20	DEID	
CC(=O)NC1CCC(NC[C@H](O)c2ccc(Cl)cc2)CC1	161250241	FDMWQUIRTCZKQL-GPANFISMSA-N	310.825	2.410	70	20	DEID	
c1coc(-c2noc(CSc3ncnc4[nH]cnc34)n2)c1	161349494	ZBCMVQKYIOJTSM-UHFFFAOYSA-N	300.303	2.288	70	20	DEID	
CC[C@@H]1CCCCN1C(=O)CSc1ncnc2[nH]cnc12	161392811	BBQNORVZGFHHSG-SNVBAGLBSA-N	305.407	2.236	70	20	DEID	
COc1ccc(F)cc1[C@H](C)NC(=O)[C@H]1CCn2ccnc2C1	160094598	KAGLGPJUJCUJHC-RYUDHWBXSA-N	317.364	2.471	70	20	DEID	
C[C@H](Cc1ccc(O)cc1)NC(=O)CCC(=O)NC1CCCC1	160255160	WSGPNUKSZCQXEK-CYBMUJFWSA-N	318.417	2.278	70	20	DEID	
CC(C)c1ccc(S(=O)(=O)CCCCS(C)(=O)=O)cc1	160306282	OQJMVGUNJJHWHW-UHFFFAOYSA-N	318.460	2.409	70	20	DEID	
COc1ccc(OC)c([C@H](C)N[C@H]2CCc3nc(C)nn3C2)c1	160326797	BWEPIEKYYFBSEE-AAEUAGOBSA-N	316.405	2.269	70	20	DEID	
CO[C@@H](C)c1noc(CCC(=O)N(C)c2ccc(Cl)cn2)n1	160502937	XZDBEGSIZPNWPI-VIFPVBQESA-N	324.768	2.421	70	20	DEID	
CC(=O)c1cccc(O[C@@H](C)C(=O)N2C[C@@H]3CCC[C@H](C2)N3)c1	160641898	IIQZGCUIPGNGER-CWRNSKLLSA-N	316.401	2.009	70	20	DEID	
CCN(Cc1ccccc1)C(=O)[C@H](C)N(C)C[C@H](O)C1CC1	160783385	CLOSLPTYHHNHJQ-YOEHRIQHSA-N	304.434	2.126	70	20	DEID	
CC(C)Oc1cc(CNC(=O)NC[C@H]2CCCN(C)C2)ccn1	159802323	ALURMELQYVMMIX-OAHLLOKOSA-N	320.437	2.010	70	20	DEID	
O=C(C[C@H]1COC(=O)C1)N[C@@H](C[C@@H]1CCOC1)c1ccccc1	159466713	MQUAVGBFZHROKL-LZWOXQAQSA-N	317.385	2.224	70	20	DEID	
CCN1CCCN(C(=O)NC2CC(C)(C)NC(C)(C)C2)CC1	159509152	UILQEDMZCLMGNQ-UHFFFAOYSA-N	310.486	2.033	70	20	DEID	
CC(C)CN(CC(N)=O)C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1	159705502	ITFLSGCBPGZABE-QWRGUYRKSA-N	308.344	2.325	70	20	DEID	
COc1ccc(O)c(C(=O)N[C@@H](CCO)c2ccccc2)c1	159538466	UAZHEMOJJJHWFR-HNNXBMFYSA-N	301.342	2.254	70	20	DEID	
O=C(CSc1ccc(O)cc1)N[C@@H]1c2ccccc2C[C@H]1O	159790919	XYIJCXLCGGHSCQ-NVXWUHKLSA-N	315.394	2.259	70	20	DEID	
N[C@@H]1CCC[C@H](NC(=O)Cc2cccc(Br)c2)C1	160885491	OIWPCEVIQJHKHY-OLZOCXBDSA-N	311.223	2.378	70	20	DEID	
COc1cc2c(cc1CNC[C@](C)(O)CSC)O[C@@H](C)C2	217847732	ZMXOSJNIQCRNOL-ZBEGNZNMSA-N	311.447	2.222	70	20	DEID	
CC[C@H](NC(=O)c1cccc(S(=O)(=O)F)c1)[C@H]1CCCO1	1348708035	VDOPAIJVHWTRQQ-QWHCGFSZSA-N	315.366	2.032	70	20	DEID	
CCNc1nc(SCc2nncn2C)nc2ccccc12	161006430	VGGXXZHQRRUCRE-UHFFFAOYSA-N	300.391	2.482	70	20	DEID	
CN(C)CCCC1CCN(C(=O)NCCc2cccnc2)CC1	160147056	RHIROKMBERZPDG-UHFFFAOYSA-N	318.465	2.388	70	20	DEID	
CN(C)CCN(C(=O)N[C@H]1CCO[C@H](C2CC2)C1)C1CCCC1	160442342	ABUXOTDJQOCOBV-RDJZCZTQSA-N	323.481	2.460	70	20	DEID	
O=C1[C@H]2CCCN2C(=O)N1Cc1noc(C2CCCCC2)n1	160649667	OECWUPTTWAIGPQ-LLVKDONJSA-N	304.350	2.044	70	20	DEID	
CC(=O)N1CCC[C@@H](C(=O)NCCCSCC(C)C)C1	160705098	ZGYSVVOMOLEZQU-CQSZACIVSA-N	300.468	2.140	70	20	DEID	
CCC[C@@H](C(=O)NCC1CCN(CCO)CC1)c1ccccc1	160720674	NUUZPJYMMKVRPE-GOSISDBHSA-N	318.461	2.391	70	20	DEID	
CN(Cc1cccn1C)C(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1	160797103	VIWSNFIMJPYVKV-CQSZACIVSA-N	319.449	2.268	70	20	DEID	
CCS(=O)(=O)c1cccc(CC(=O)NC[C@@H]2CC=CCC2)c1	159409635	JDQQLYPOZCWZET-CQSZACIVSA-N	321.442	2.495	70	20	DEID	
O=C(Nc1ccc(COC2CCCC2)cc1)[C@@H]1CNCCO1	159603516	BFZNEXWFSSQGQP-INIZCTEOSA-N	304.390	2.073	70	20	DEID	
C[C@H](OC1CCCCCC1)C(=O)N(C)CC(=O)NC(C)(C)C	159809421	UZMLHXKHNCVQKD-ZDUSSCGKSA-N	312.454	2.487	70	20	DEID	
COc1cc(Cl)c(C(=O)NC[C@H](O)C(C)(C)C)cc1OC	159386230	NJTXYYJGBPDFTL-ZDUSSCGKSA-N	315.797	2.494	70	20	DEID	
CC(=O)[C@@H](C)SC(F)(F)COS(=O)(=O)C(F)(F)F	849885720	NGMNVJDAWMTKGI-RXMQYKEDSA-N	316.269	2.156	70	20	DEID	
COc1cc(F)ccc1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1337667638	WPEDSRADCHPGRM-UHFFFAOYSA-N	316.285	2.073	70	20	DEID	
Cc1nc(Cl)ccc1C(=O)N[C@H]1CCN(c2ccccn2)C1	161395123	KZESYZMUUOJCRC-LBPRGKRZSA-N	316.792	2.447	70	20	DEID	
C[C@@H](CN1CCCCC1)NC(=O)c1ccc(CN(C)C)cc1	160104289	BKUYAMMOUOSLCK-HNNXBMFYSA-N	303.450	2.352	70	20	DEID	
Cc1cccc2c(CCC(=O)N3CCCC[C@H]3C(N)=O)c[nH]c12	160162311	GLSYUYIQYILLNR-HNNXBMFYSA-N	313.401	2.275	70	20	DEID	
C[C@H]1CCN(C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)C[C@H]1O	160852540	KPLDJBDDNFGEES-SVGFKBNWSA-N	318.417	2.319	70	20	DEID	
COC[C@@H](O)CCNC(=O)COc1ccc(C(C)C)c(C)c1	160938828	JWAHYWGEKJXWCZ-AWEZNQCLSA-N	309.406	2.011	70	20	DEID	
CCN(C[C@@H]1CCCO1)C(=O)CCNC(=O)C1CCCCC1	160955071	LXDGMPFGCQHTEI-HNNXBMFYSA-N	310.438	2.101	70	20	DEID	
CC[C@@H](NS(=O)(=O)CCCOC)c1ccc(F)cc1F	159609803	GRLDLOPFRGMLEE-CYBMUJFWSA-N	307.362	2.372	70	20	DEID	
CC(=O)N1CC[C@H](NC(=O)c2sc(C3CCCC3)nc2C)C1	159850076	AJCSAZVKSJITJM-ZDUSSCGKSA-N	321.446	2.460	70	20	DEID	
CCCCn1ncc(NC(=O)N[C@H]2CCCC[C@@H]2C(N)=O)c1C	159851619	XVYBPZPUIFLNPV-STQMWFEESA-N	321.425	2.157	70	20	DEID	
C[C@H](NC(=O)NC[C@@]1(C)CCCS1)c1nnc2ccccn12	159460715	AKMIPZIGYHSBMD-XHDPSFHLSA-N	319.434	2.375	70	20	DEID	
CS(=O)(=O)c1ccc(Cl)c(NC(=O)[C@@H]2CCCCO2)c1	159685731	GTXHYNGRLUCIMP-LBPRGKRZSA-N	317.794	2.251	70	20	DEID	
COc1ccc(F)cc1[C@@H](C)NC(=O)NCc1cnn(C)c1C	159901480	XPEGCHQTUFQTII-SNVBAGLBSA-N	320.368	2.437	70	20	DEID	
CCC1(CC)[C@@H](NC(=O)NCc2cccnc2OC)C[C@@H]1OC	159563222	BGWJCFYPRJYFLX-KBPBESRZSA-N	321.421	2.483	70	20	DEID	
C[C@@H]1CC(=O)CC[C@H]1C(=O)Nc1cccc(S(=O)(=O)F)c1	274680356	WSQVVBREDFWBHB-NOZJJQNGSA-N	313.350	2.289	70	20	DEID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)[C@H]1CCCSC1	460095258	RPZDYVQLZGIVDY-VIFPVBQESA-N	303.380	2.427	70	20	DEID	
CC1(C)CC[C@@H](COC(=O)c2ccc(S(=O)(=O)F)cc2)O1	838094218	UZEYBVZEDMAPMD-NSHDSACASA-N	316.350	2.459	70	20	DEID	
CC(C)OCCCCNC(=O)c1ccc(S(=O)(=O)F)cc1	865209709	DEXCLFHJLXBODS-UHFFFAOYSA-N	317.382	2.280	70	20	DEID	
CCOCCCCNC(=O)c1ccc(S(=O)(=O)F)cc1C	1336815515	CKMIKHGGVMEGSM-UHFFFAOYSA-N	317.382	2.200	70	20	DEID	
Cc1nc([C@H]2CCCN2c2ccc(S(=O)(=O)F)cn2)[nH]c1C	1550641737	IRLIQVAIAUHLSU-GFCCVEGCSA-N	324.381	2.421	70	20	DEID	
CCC(C)(C)NC(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F	161325350	LIJFRWPVZJUJPM-UHFFFAOYSA-N	322.789	2.045	70	20	DEID	
Cc1ccc2cc(C(=O)N(C)[C@@H]3CCCCNC3=O)ccc2n1	161439977	JUEFIXICKOUVMC-MRXNPFEDSA-N	311.385	2.284	70	20	DEID	
CCc1ccccc1C(=O)NC[C@@H](C(C)C)N1CCOCC1	161472798	FSXACRWSKWDWJF-KRWDZBQOSA-N	304.434	2.336	70	20	DEID	
C[C@H]1CCC[C@@H](C(=O)N2CCN(C(=O)c3ccccn3)CC2)C1	160020827	IQFDMDGKNHWJCI-LSDHHAIUSA-N	315.417	2.192	70	20	DEID	
COC(=O)[C@@H](C)CN(C)C(=O)C1(c2ccc(C)c(OC)c2)CC1	160098179	MHJVOTKPCAXWRT-ZDUSSCGKSA-N	319.401	2.303	70	20	DEID	
C[C@H]1CCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)C[C@@H]1C	160194960	GNMVTEGLMSSITK-BQFCYCMXSA-N	317.477	2.383	70	20	DEID	
CN(Cc1cnn(C)c1)C(=O)[C@H]1C[C@H]1c1cccc(F)c1F	160249484	KIXDKOUOFMFSHS-STQMWFEESA-N	305.328	2.460	70	20	DEID	
COc1ccccc1[C@H]1CCN(S(=O)(=O)N2CCCCC2)C1	160530504	FXROFRGNQINYRW-AWEZNQCLSA-N	324.446	2.215	70	20	DEID	
CCCN(CCN(CC)CC)C(=O)c1cc(C(C)=O)cn1C	160533250	UGVQLWUQCQMEAG-UHFFFAOYSA-N	307.438	2.422	70	20	DEID	
CC[C@@H](NC(=O)Cc1c(C)nn(C)c1C)c1c(C)noc1C	160635377	DKJSFKKAJZLCOR-CQSZACIVSA-N	304.394	2.452	70	20	DEID	
CCC[C@@H](CCO)CNC(=O)Nc1ccn(CC(F)(F)F)n1	160683566	QSHMKFFMFQAPGC-JTQLQIEISA-N	322.331	2.366	70	20	DEID	
CCN(Cc1cccc(NC(=O)N[C@@]2(C)CCOC2)c1)C(C)=O	160719994	RJZRYIIGOPJVJT-KRWDZBQOSA-N	319.405	2.356	70	20	DEID	
CCCN(CC(=O)NC)C(=O)c1cnn(C(CC)CC)c1C	160726365	ACRJCMWKYKDLRS-UHFFFAOYSA-N	308.426	2.151	70	20	DEID	
CC(=O)N1CC[C@H](NC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)C1	159407095	UMIFGJYTSNQEAG-RRFJBIMHSA-N	306.793	2.181	70	20	DEID	
CC(C)(C)[C@@H](NC(=O)c1cc(Cl)c(N)c(Cl)c1)C(N)=O	159638532	RQNAWCWFHNEGHU-JTQLQIEISA-N	318.204	2.205	70	20	DEID	
Cc1nc(CS(=O)(=O)CCc2c(C)noc2C)cs1	159650857	GLZPHNLXIUBMQH-UHFFFAOYSA-N	300.405	2.214	70	20	DEID	
Cn1cnc(CNC(=O)c2cc(Cl)cc(C(F)(F)F)c2)n1	159751343	ZVNQZXHIRGZMJC-UHFFFAOYSA-N	318.686	2.417	70	20	DEID	
CN(CC(=O)N1CCC(NCC2CC2)CC1)c1ccccc1	159779210	MJBJVMWKWUTBDR-UHFFFAOYSA-N	301.434	2.113	70	20	DEID	
O=C(CN1CCCC[C@@H]1CO)Nc1ccc(C(F)(F)F)cc1	159799363	VDSWUUGEWHUMDX-CYBMUJFWSA-N	316.323	2.491	70	20	DEID	
CSCC[C@@H](C)N(C)S(=O)(=O)c1cc(N)ccc1C	161031274	NMRDUGFRAOFKEN-LLVKDONJSA-N	302.465	2.339	70	20	DEID	
CCCn1c(C)nnc1Cn1cnc2sc(C)c(C)c2c1=O	161195023	PAGIIKCOCREVCD-UHFFFAOYSA-N	317.418	2.433	70	20	DEID	
CCCC(O)(CCC)CC(=O)NCC1CCN(C(C)=O)CC1	161442638	OJHPEEBWGLIXNL-UHFFFAOYSA-N	312.454	2.083	70	20	DEID	
CC[C@@H](NC(=O)COc1c(C)nn(C)c1C)c1c(C)noc1C	160041655	ISCDMZHSTHWDDW-CYBMUJFWSA-N	320.393	2.288	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)[C@H]1CCCN1Cc1ccccc1	160101914	QDGXVLNOCSBKOB-GOEBONIOSA-N	318.417	2.109	70	20	DEID	
CCCCN(CC)c1ccc(C(=O)N2CC[C@@H](C(N)=O)C2)cc1	160484089	WZZFHTZZZYOEAL-OAHLLOKOSA-N	317.433	2.260	70	20	DEID	
CN(C)CCCC1CCN(C(=O)NCc2nccs2)CC1	160619584	PCVLFBBNXXIRIR-UHFFFAOYSA-N	310.467	2.407	70	20	DEID	
Cc1cnccc1CCNC(=O)NCCc1c(C)noc1C	160949955	IRYQUJYSSDPKTO-UHFFFAOYSA-N	302.378	2.079	70	20	DEID	
O=C(Nc1ccc(-n2ccnn2)cc1)N1CCOC2(CCC2)C1	160954909	GIFXBDWNFBREFX-UHFFFAOYSA-N	313.361	2.054	70	20	DEID	
CC[C@H](O)CCNC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1	160984264	IKEQSJAJASGLPC-JYJNAYRXSA-N	306.406	2.367	70	20	DEID	
CCSCCN1CCN(CCCOCC(F)(F)F)CC1	159606880	DIGKDLVNOZPPTA-UHFFFAOYSA-N	314.417	2.326	70	20	DEID	
c1ccc(-c2cc(N3CCOC[C@H]3C3CC3)n3ncnc3n2)cc1	159634752	QGAAKFDOZNFXDZ-INIZCTEOSA-N	321.384	2.407	70	20	DEID	
CCO[C@@H]1C[C@@H](N(C)C(=O)c2cnc3c(c2)ncn3C)C1(C)C	159885383	UVIPVVCWJTWECV-ZIAGYGMSSA-N	316.405	2.244	70	20	DEID	
Cc1nccn1CCCCNC(=O)NC1C[C@@H](C)O[C@H](C)C1	159380336	KKGLYRPYNJBPCD-CHWSQXEVSA-N	308.426	2.227	70	20	DEID	
N#CCN(C(=O)c1ccc(S(=O)(=O)F)cc1)C1CCCC1	865207853	RATULGBUAJKKIK-UHFFFAOYSA-N	310.350	2.253	70	20	DEID	
O=C(CCc1ccc(S(=O)(=O)F)cc1)NC/C=C\Cl	1349956837	GIRMUORRRNJXNW-QPIMQUGISA-N	305.758	2.146	70	20	DEID	
CC[C@H](C#N)N(CC)C(=O)c1ccc(S(=O)(=O)F)cc1C	1518546979	FKNIGIZXOZXJJH-LLVKDONJSA-N	312.366	2.418	70	20	DEID	
Cn1cncc1CNC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	218175224	BJAQAJINRIWUMR-ZDUSSCGKSA-N	308.426	2.157	70	20	DEID	
Cc1ccc(NC(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)cn1	161304949	GMXHZDVIWXBNMX-OAHLLOKOSA-N	316.405	2.303	70	20	DEID	
CC(C)NC(=O)C(=O)Nc1cc(F)ccc1Br	161508171	BQZVORLXCKUBOY-UHFFFAOYSA-N	303.131	2.051	70	20	DEID	
CC(C)Oc1ccccc1NC(=O)C(=O)NCCn1cccc1	160232790	MYGJQWQBGDVLRU-UHFFFAOYSA-N	315.373	2.030	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)[C@@H]1Cc2cc(C)c(C)cc2O1	160326124	IYCVDUOVWUXOKN-DOMZBBRYSA-N	305.374	2.065	70	20	DEID	
Cc1cccc2[nH]c(CNC(=O)CN3CCC(C)CC3)nc12	160422111	KJPQGLYAJDSTSI-UHFFFAOYSA-N	300.406	2.219	70	20	DEID	
CN[C@@H]1CCN(C(=O)C[C@@H]2CCCc3cc(OC)ccc32)C1	160669269	MSZZLURFJCUCCP-LSDHHAIUSA-N	302.418	2.326	70	20	DEID	
CN(CCN1CCCC1)C(=O)Nc1ccn(CC(F)(F)F)n1	160808667	BCSYJNQOUKBBGR-UHFFFAOYSA-N	319.331	2.005	70	20	DEID	
Cc1ccc(C)c(OC2CCN(Cc3nncn3C)CC2)c1	160842016	AVSSTUVPCMCJEH-UHFFFAOYSA-N	300.406	2.475	70	20	DEID	
COC[C@H](O)CCNC(=O)c1ccc(Oc2cccnc2)cc1	160908808	NWMYHTHOBYIUQG-CQSZACIVSA-N	316.357	2.001	70	20	DEID	
COc1ccc(Cl)cc1NC(=O)CN(C)Cc1cncnc1	160937884	XDGBTNSCSTVRDS-UHFFFAOYSA-N	320.780	2.209	70	20	DEID	
CC[C@@H](NS(=O)(=O)[C@@H](C)COC)c1ccc(F)cc1F	159627386	AHRQWKSHICLMKL-TVQRCGJNSA-N	307.362	2.370	70	20	DEID	
Cc1cc(N[C@H](C)C(=O)NC[C@H](C)c2ccccc2)nn1C	159646961	NXYHLRNZOMGFIV-GXTWGEPZSA-N	300.406	2.449	70	20	DEID	
C[C@H](O)CN(C)[C@@H](C)C(=O)Nc1nc2ccc(F)cc2s1	159486026	VCVHNSZPYRJCJR-IUCAKERBSA-N	311.382	2.075	70	20	DEID	
COc1cccc([C@@H](C)CC(=O)N[C@H](CO)CCSC)c1	159899891	RPCPCKIVCJEOLG-JSGCOSHPSA-N	311.447	2.419	70	20	DEID	
Cc1ccc(C(=O)CCN2CCC(N(C)CCCO)CC2)cc1	159706186	UAUGQZSWUKSOSL-UHFFFAOYSA-N	318.461	2.346	70	20	DEID	
CS(=O)(=O)CCCC(=O)N[C@@H]1CCCc2sccc21	159939818	YOEUALIDFBLPQM-LLVKDONJSA-N	301.433	2.067	70	20	DEID	
Cc1cccc([C@@H](C)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c1	159392827	FCBVMOPBTQLDLC-CRAIPNDOSA-N	315.461	2.470	70	20	DEID	
Cc1ccc(Cl)cc1S(=O)(=O)N(C)[C@@H](CN)C1CC1	159950086	GOYAWUMGYSWZRI-LBPRGKRZSA-N	302.827	2.006	70	20	DEID	
CCOc1ccc(SCC(=O)N[C@@H]2CCC[C@@H]2CO)cc1	217995340	YPRCXDCSXYHXTR-IUODEOHRSA-N	309.431	2.455	70	20	DEID	
O=C(C[C@H]1CCCOC1)Nc1ccc(S(=O)(=O)F)cc1	193743067	VHHFASBWOAEDJN-SNVBAGLBSA-N	301.339	2.100	70	20	DEID	
O=C(CCC1CCOCC1)Nc1cccc(S(=O)(=O)F)c1	460098295	ZHSYIXURUTXTRR-UHFFFAOYSA-N	315.366	2.490	70	20	DEID	
CC[C@@](C)(C#N)C(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	857673015	QVBSLYJECOAZJG-LBPRGKRZSA-N	302.302	2.362	70	20	DEID	
C#CC1CCN(C(=O)CCc2ccc(S(=O)(=O)F)cc2)CC1	1339072606	PDIRNDCZBACAJE-UHFFFAOYSA-N	323.389	2.149	70	20	DEID	
COC[C@H](O)CCNC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1	161033059	AGUJOFVMIPEGME-DZGCQCFKSA-N	323.433	2.265	70	20	DEID	
CCc1n[nH]c(-c2ccccc2NC(=O)c2ccc(C)[nH]c2=O)n1	161149389	IFCOOUVDRGCIOB-UHFFFAOYSA-N	323.356	2.283	70	20	DEID	
COCc1ccc([C@@H]2CCCN2C(=O)c2cnn(C)c2C)o1	161250996	HSLIHMKYUUERCV-AWEZNQCLSA-N	303.362	2.445	70	20	DEID	
CCOc1ccc([C@@H]2CCCN2C(=O)[C@H]2CCNC(=O)C2)cc1	160014295	RWRGBDBQPFMLTP-HOCLYGCPSA-N	316.401	2.275	70	20	DEID	
CCN1CCN(C[C@@H](C)CNC(=O)[C@H](C)c2ccsc2)CC1	160119998	YUMRMYPJJYXLRE-LSDHHAIUSA-N	323.506	2.241	70	20	DEID	
CCOCCO[C@H](C)C(=O)N[C@@H]1CCc2c(OC)cccc21	160172993	VCHYSTKSSYFVMF-IUODEOHRSA-N	307.390	2.240	70	20	DEID	
CCOCCCCNC(=O)c1ccc(C(=O)NC2CC2)cc1	160305207	GVLGGJYXZGZIOP-UHFFFAOYSA-N	304.390	2.125	70	20	DEID	
Cc1ccc(N2CCN(C(=O)NC3CCOCC3)CC2)cc1C	160327160	JVVLHODNULEHFN-UHFFFAOYSA-N	317.433	2.314	70	20	DEID	
Cc1cc(F)c(C(=O)N[C@@H](C(N)=O)c2ccccc2)cc1F	160493575	IATWPYOCAFGFJP-CQSZACIVSA-N	304.296	2.230	70	20	DEID	
CC(C)CC(=O)NCCC(=O)NCCO[C@H]1CCCC[C@@H]1C	160646267	RFSICQUOPICURJ-GJZGRUSLSA-N	312.454	2.250	70	20	DEID	
O=C1CC[C@H]2CN(C(=O)Nc3cccc(Cl)c3)CC[C@H]2N1	160700495	HFXLURCSWQGZNC-GXFFZTMASA-N	307.781	2.472	70	20	DEID	
CN(CC(=O)NC[C@H]1CCc2ccccc2C1)[C@@H]1CCSC1	160832623	QWNOMLKVGPZMDY-WMLDXEAASA-N	318.486	2.345	70	20	DEID	
CC[C@H](NS(=O)(=O)C[C@H]1CCOC1)c1ccc(F)cc1F	159611863	VPFNDYSIZBSFCM-HZMBPMFUSA-N	319.373	2.372	70	20	DEID	
CC(C)C1(CNC(=O)Nc2ccnn2C[C@@H]2CCOC2)CC1	159905904	CVGDQAMGPHITJV-ZDUSSCGKSA-N	306.410	2.477	70	20	DEID	
COCCCN(C)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1	159985413	UIWUWCBNOKXPCP-WBVHZDCISA-N	319.449	2.327	70	20	DEID	
Cc1ccc(/C=C/S(=O)(=O)N2CCc3ncncc3C2)cc1	218076436	XMJROFUDOILKSI-VQHVLOKHSA-N	315.398	2.144	70	20	DEID	
CCS[C@@H]1CCC[C@@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1336961247	HNMCCEUKIKCCDV-GXSJLCMTSA-N	320.411	2.077	70	20	DEID	
C[C@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)c1ccccc1	1516690460	UNKGKJGOVXERGR-SNVBAGLBSA-N	310.350	2.206	70	20	DEID	
CSCC[C@@H](N)C(=O)N[C@H]1C[C@@H]1c1c(F)cccc1F	161022718	XNBMUAPFLJNRMQ-AXTRIDKLSA-N	300.374	2.017	70	20	DEID	
C[C@@H](CCO)CNC(=O)CCCc1nc(-c2cccs2)no1	161071877	WIGYFNSXPZHANA-NSHDSACASA-N	323.418	2.256	70	20	DEID	
CC(C)(C)NC(=O)c1ccccc1NC(=O)C[C@@H]1COC(=O)C1	161342181	HACFABGCCOSKGK-NSHDSACASA-N	318.373	2.107	70	20	DEID	
COCc1ccc([C@@H]2CCCN2C(=O)c2cn(C)nc2C)o1	161439877	KCBNRUAJYXUDRK-AWEZNQCLSA-N	303.362	2.445	70	20	DEID	
CN(CC(=O)Nc1cccc2c1N=S=N2)[C@H](CN)C1CC1	160119426	GFZPXJRBNSJABO-GFCCVEGCSA-N	305.407	2.021	70	20	DEID	
C[C@@H](C(=O)N(C)[C@H](C)CO)c1ccc(Br)s1	160423823	BPOPOYPRGCAPDX-HTQZYQBOSA-N	306.225	2.453	70	20	DEID	
CCCN(C)S(=O)(=O)N(Cc1cccc(O)c1)CC1CC1	160504393	TYNDLBUOUSHQAS-UHFFFAOYSA-N	312.435	2.191	70	20	DEID	
CC(=O)N[C@@H](C(=O)N[C@@H]1CCOC2(CCCCC2)C1)C(C)C	160579127	FTMADGOOIWAEMR-HUUCEWRRSA-N	310.438	2.145	70	20	DEID	
CC[C@@H](NC(=O)CCn1c(C)csc1=O)c1c(C)noc1C	160683666	UOJZOENBSYINJF-GFCCVEGCSA-N	323.418	2.481	70	20	DEID	
COCCN(CCOC)C(=O)Nc1ccn(CCC(C)C)n1	160747639	FQFXGNVWKSJKFY-UHFFFAOYSA-N	312.414	2.056	70	20	DEID	
CCNC(=O)N1CCc2ccc(NC(=O)[C@H](N)[C@H](C)CC)cc21	160774868	CAFVNHAVMCJFNQ-IAQYHMDHSA-N	318.421	2.091	70	20	DEID	
C[C@@]1(O)CCCN(C(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)C1	160827807	RXTPZAMVHGSLLR-XYJFISCASA-N	318.417	2.463	70	20	DEID	
O=C(NCCc1ccccc1Cl)[C@@H]1CCn2ccnc2C1	160840505	LJTIMGIWAGADTJ-CYBMUJFWSA-N	303.793	2.458	70	20	DEID	
O=C(Cc1ccccc1I)NCCCF	159409496	MLLRIOIKQKQHGZ-UHFFFAOYSA-N	321.133	2.310	70	20	DEID	
C[C@@H]1CN(C(C)(C)CNC(=O)N2CCC3(CCC3)C2)C[C@@H](C)O1	159665998	ULVHVQWZNDPTGP-HUUCEWRRSA-N	323.481	2.460	70	20	DEID	
CCN1CCCN(C(=O)NCCc2cc(C)ccc2OC)CC1	159556451	LTPPJONLGSELKW-UHFFFAOYSA-N	319.449	2.283	70	20	DEID	
CC(C)COC[C@@H](O)CNC(=O)C1C2CC3CC(C2)CC1C3	159379996	KJNLFIBWZOGWEQ-IKXAHOJESA-N	309.450	2.208	70	20	DEID	
O=S(=O)(NC[C@@H](O)C1CCCCC1)c1cc(F)cc(F)c1	159568967	XADDBCYWXUILFZ-CQSZACIVSA-N	319.373	2.184	70	20	DEID	
N#CCc1ccnc(NC(=O)c2cccc(S(=O)(=O)F)c2)c1	1262732421	HEWXZVQRQQQNDS-UHFFFAOYSA-N	319.317	2.058	70	20	DEID	
CN(CC1CCN(C(=O)C(C)(C)C)CC1)C1(C(N)=O)CCCC1	161051105	HAHGXIGCPVZBCJ-UHFFFAOYSA-N	323.481	2.001	70	20	DEID	
COC[C@@H](O)CCNC(=O)/C=C/c1ccc(OC(C)C)cc1	161090625	LYHGSHLENRLKNA-PPYMECGQSA-N	307.390	2.001	70	20	DEID	
CCn1cc(NC(=O)c2cnn(CC(C)C)c2C)ccc1=O	161190061	AHAYSYFLLLENMK-UHFFFAOYSA-N	302.378	2.281	70	20	DEID	
O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)Nn1cnc2ccccc21	161200213	HJUKVADCPCLWAD-GLQYFDAESA-N	312.373	2.247	70	20	DEID	
COCc1cc(C(=O)N[C@@H](C)CC(=O)c2ccc(F)cc2)no1	161222675	CGXFAGCYWJCYIZ-JTQLQIEISA-N	320.320	2.351	70	20	DEID	
C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@@H]1CCCS1	161452455	WZSQEAPDEDQLJS-NEPJUHHUSA-N	314.451	2.350	70	20	DEID	
Cc1cccc([C@@H](NC(=O)[C@@H]2CCC(=O)NC2)c2ccccn2)c1	160011889	SEIKDPSQRGZBIN-CRAIPNDOSA-N	323.396	2.122	70	20	DEID	
CN(C)[C@@H]1CCN(C(=O)Nc2ccc(O[C@H]3CCOC3)cc2)C1	160354815	PKJRSORSLDBBBZ-ZBFHGGJFSA-N	319.405	2.022	70	20	DEID	
CCOC(=O)CCc1ccc(NC(=O)[C@H]2CC[C@@H](N)C2)cc1	160491136	YVSGHUUSEOPSHQ-UONOGXRCSA-N	304.390	2.248	70	20	DEID	
COC[C@H](C)NC(=O)NC[C@H](C)COc1ccccc1OC	160570491	FBHXLNTYLZKVHI-STQMWFEESA-N	310.394	2.044	70	20	DEID	
CC(C)CSCCCNC(=O)c1ccc2c(c1)[nH]c(=O)n2C	160817837	SLBOVAFPYJIJSK-UHFFFAOYSA-N	321.446	2.376	70	20	DEID	
O=C(C[C@@H]1CCCN1)N[C@@H](Cc1ccccc1)C(F)(F)F	160836438	PACCGNOWHUOZJH-STQMWFEESA-N	300.324	2.418	70	20	DEID	
C[C@@H](CC(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccncc1	160895667	NFERHEZKSNPKSY-JSGCOSHPSA-N	303.406	2.091	70	20	DEID	
C[C@]1(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)CCNC1	159496267	AWGIIDYTGIGTNE-VIFPVBQESA-N	318.261	2.329	70	20	DEID	
Cc1cc(NC(=O)[C@H]2CCCNC2)ccc1C(=O)NC(C)C	159497485	HYYYURUTRJRKBY-ZDUSSCGKSA-N	303.406	2.071	70	20	DEID	
Cc1cc(C)c2nc(NC(=O)[C@H]3CCNC(=O)C3)sc2c1	159742095	MMDIUPOZJSYNTG-JTQLQIEISA-N	303.387	2.378	70	20	DEID	
C[C@H](c1ccco1)N(C)CCN1C(=O)NC2(CCCC2)C1=O	159761157	DZAMNUJAMCUGNF-GFCCVEGCSA-N	305.378	2.137	70	20	DEID	
CC(=O)N1CC[C@@H](NC(=O)COc2cc(C(C)C)ccc2C)C1	159769343	ONCNVOJZRWMDAY-MRXNPFEDSA-N	318.417	2.234	70	20	DEID	
C[C@@H]1C[C@H](C(=O)Nc2cccc(S(=O)(=O)F)c2)CCO1	460093595	OIOYFUOSRQIHIQ-NXEZZACHSA-N	301.339	2.098	70	20	DEID	
O=C(C[C@@H]1CCCO1)Nc1ccc(F)c(CS(=O)(=O)F)c1	876317760	GFSPLWSTZHZOMM-NSHDSACASA-N	319.329	2.133	70	20	DEID	
CSCCCNC(=O)NCCOc1ccc(Cl)cn1	161040987	JGYDHEVPYSZDRH-UHFFFAOYSA-N	303.815	2.166	70	20	DEID	
C[C@H](CNC(=O)[C@H]1[C@@H](N)[C@H]2CC[C@@H]1C2)Oc1ccc(F)cc1	161122330	KJMHLKFKYQVTPN-POPZOMSYSA-N	306.381	2.083	70	20	DEID	
Cc1cc(C(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)ncn1	161273749	FNXWHBZMHPHXEJ-ZDUSSCGKSA-N	322.372	2.199	70	20	DEID	
CC(=O)N1CC[C@@H](CN(C)C(=O)NCCc2ccc(C)cc2)C1	161311589	OWWDJTZXVBLDNR-KRWDZBQOSA-N	317.433	2.047	70	20	DEID	
Cc1cc(CNC(=O)N2CCC(CCCN(C)C)CC2)on1	161313711	QXIJOGOSFFBSTD-UHFFFAOYSA-N	308.426	2.246	70	20	DEID	
COc1ccccc1N1CC[C@@H](NC(=O)CCC2CC2)C1=O	161325810	GVGWMEZFUYNFIZ-CYBMUJFWSA-N	302.374	2.107	70	20	DEID	
Cc1cccc(NC(=O)CCCNC(=O)c2cccnc2)c1O	160022312	AITHCWHTCBBQPM-UHFFFAOYSA-N	313.357	2.244	70	20	DEID	
OCC1(CNC[C@H](O)COc2ccccc2Cl)CCCC1	160156878	AJFANTQGIKYZOG-ZDUSSCGKSA-N	313.825	2.222	70	20	DEID	
C[C@@H](CO)N(C)C(=O)[C@@H](C)Oc1cccc(Br)c1	160554465	HZKWEMAHHZMDOT-VHSXEESVSA-N	316.195	2.056	70	20	DEID	
COc1ccc([C@H](C)N[C@@H]2CCc3nc(C)nn3C2)c(OC)c1	160519619	FCMRPRYIUAIWDK-WCQYABFASA-N	316.405	2.269	70	20	DEID	
COC(=O)C[C@H](C)C(=O)NC[C@H](Nc1ccccc1)C(C)C	160570090	XLJOAYRXATUTLK-ZFWWWQNUSA-N	306.406	2.439	70	20	DEID	
O=C(C[C@@H]1COC(=O)C1)Nc1nc(CN2CCCCC2)cs1	160831892	FZSYWSSUQQNWEV-NSHDSACASA-N	323.418	2.021	70	20	DEID	
Cc1ccccc1[C@H]1CN(C(=O)[C@@H](N)Cc2ccccc2)CCO1	160841590	RKZBSAKTPFADSP-RBUKOAKNSA-N	324.424	2.465	70	20	DEID	
C[C@H](OC[C@H]1CCCO1)C(=O)NCCc1cc2ccccc2[nH]1	159605780	ATZCWMCDCCVGHV-XJKSGUPXSA-N	316.401	2.411	70	20	DEID	
C[C@H](CC(=O)NCCC(=O)N1CCCCCC1)c1ccncc1	159621943	YTQLZXQGGRESPU-OAHLLOKOSA-N	317.433	2.484	70	20	DEID	
CCCNC(=O)CCNC(=O)CCCOc1ccc(C)cc1C	159491673	YGURURNCDNLCMG-UHFFFAOYSA-N	320.433	2.495	70	20	DEID	
O=C(CC1C[C@@H]2CC[C@@H](C1)N2)Nc1cnn(CC(F)(F)F)c1	159698794	YWCCSSKIJKMVSJ-QWRGUYRKSA-N	316.327	2.305	70	20	DEID	
CCOC(=O)CN(C)[C@H](C)C(=O)Nc1c(C)cc(C)cc1C	159504926	AWVPYMLCUJSKRB-CQSZACIVSA-N	306.406	2.434	70	20	DEID	
CCn1cc(C(=O)NC[C@@H](C[C@H](C)O)c2ccccc2)cn1	159730786	OKWZOEVRYFQADK-DZGCQCFKSA-N	301.390	2.188	70	20	DEID	
CCCOc1ccc(NC(=O)NCC[C@@H](O)COC)c(C)c1	159775800	ZKCZUDBOPAWAFO-CYBMUJFWSA-N	310.394	2.303	70	20	DEID	
COc1cc([C@@H](F)CS(=O)(=O)Cl)cc(OC)c1OC	1537958613	GABPHKQFFFOXJW-QMMMGPOBSA-N	312.746	2.292	70	20	DEID	
CC(C)CO[C@H](C)C(=O)Nc1cccc(S(=O)(=O)F)c1	460095375	UIPSHFBEEYUEIE-SNVBAGLBSA-N	303.355	2.344	70	20	DEID	
Cn1cc(C(=O)Nc2ccc(S(=O)(=O)F)cc2)c(C2CC2)n1	291702209	KOZPHQHQTAQIOS-UHFFFAOYSA-N	323.349	2.208	70	20	DEID	
CCc1cc(=O)c2cc(F)ccc2n1CCS(=O)(=O)F	883954984	ZNKRDCOTLAEHIK-UHFFFAOYSA-N	301.314	2.002	70	20	DEID	
C[C@@H]1C[C@H](NCC(=O)Nc2ccc(Cl)cc2)CN1C1CC1	161111307	QYIAIFVQBHWEIR-RISCZKNCSA-N	307.825	2.493	70	20	DEID	
Cc1noc(CNC(=O)Nc2ccc(F)cc2OC(F)F)n1	161222893	UNAJILAHQKHQJF-UHFFFAOYSA-N	316.239	2.440	70	20	DEID	
Cc1cccc(C(=O)N(C)CC(C)(C)CN2CCOCC2)c1	160058937	YRUWMSHUSQRMFW-UHFFFAOYSA-N	304.434	2.425	70	20	DEID	
Cc1cc(C)n(Cc2cccc(C(=O)N3CCC[C@H]3CN)c2)n1	160210398	FKRKIEICBJCZBV-KRWDZBQOSA-N	312.417	2.112	70	20	DEID	
C[C@@H](CC(=O)N1CCNC(=O)[C@H]1c1ccccc1)c1ccncc1	160297115	UCHANORZYBRFMG-KBXCAEBGSA-N	323.396	2.275	70	20	DEID	
O=C(N[C@@H]1CCO[C@H](C2CC2)C1)N1CCN(C2CCCC2)CC1	160405986	AUBUMCAFSLFRFA-WBVHZDCISA-N	321.465	2.214	70	20	DEID	
CCOC[C@@H]1CCCN(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)C1	160710679	PEBSDTJCPMVUAC-CYBMUJFWSA-N	322.405	2.307	70	20	DEID	
CN(C[C@H](O)C1CC1)C(=O)N[C@H]1CCO[C@H](c2ccccc2)C1	160902455	LNZXDCXFICGTOY-ULQDDVLXSA-N	318.417	2.319	70	20	DEID	
COCC(C)(C)C(=O)N1CCN(Cc2cccc(C)c2)CC1	159497023	IMOGFIJZLXGCBT-UHFFFAOYSA-N	304.434	2.312	70	20	DEID	
C[C@H]1CSc2ccccc2N(C(=O)C2=NN(C)C(=O)CC2)C1	159517143	KPOQRXSBAPLRGG-LLVKDONJSA-N	317.414	2.370	70	20	DEID	
C[C@H]1C[C@@H](C)CN(C[C@@H](C)NC(=O)NCc2ncccc2F)C1	159758251	HVVDTWMNDROABW-HZSPNIEDSA-N	322.428	2.386	70	20	DEID	
Cn1cc(CCNC2CCN(CCc3ccccc3)CC2)cn1	159760957	YCIVGCKPHGBTPY-UHFFFAOYSA-N	312.461	2.259	70	20	DEID	
C[C@@H](C(=O)N1CCc2ccccc2C1)N(C)C[C@@H]1CCC[C@@H]1O	159773303	LDJGIVLNYFJOSU-WBAXXEDZSA-N	316.445	2.053	70	20	DEID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)c1ccnc(F)c1F	188019674	GROGWRZUHWZUMT-UHFFFAOYSA-N	316.260	2.270	70	20	DEID	
CCCCN1CCCC[C@@H]1CNC(=O)c1cc(OC)ccn1	217222242	PPIGOGLGRXBDMD-CQSZACIVSA-N	305.422	2.475	70	20	DEID	
Cc1cc(C(=O)Nc2cccc(S(=O)(=O)F)c2)c(C)nn1	809282352	DHOUINPFYXOKKC-UHFFFAOYSA-N	309.322	2.004	70	20	DEID	
Cc1ccc(NC(=O)C[C@H]2CCOC2)cc1S(=O)(=O)F	857675580	TVGYQLXNKNUNQQ-SNVBAGLBSA-N	301.339	2.018	70	20	DEID	
CC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)c1	1336920826	MKZVAKFXNJZGOQ-UHFFFAOYSA-N	310.306	2.128	70	20	DEID	
CO[C@H]1CC[C@H](OC(=O)c2cccc(S(=O)(=O)F)c2)C1	1349679013	NPUSZYKPNAWUJX-QWRGUYRKSA-N	302.323	2.069	70	20	DEID	
C[C@@H](CCS(=O)(=O)Cl)NC(=O)OCc1ccccc1	212373302	BHJVRQQEZRWOLG-JTQLQIEISA-N	305.783	2.260	70	20	DEID	
C[C@H]1CCCC[C@H]1OCCNC(=O)NOCc1cccnc1	161083973	BZHVTDSCNQWUDV-DZGCQCFKSA-N	307.394	2.408	70	20	DEID	
COC[C@H](O)CCNC(=O)CCCOc1ccccc1Cl	161289635	ZHRURKXTSHTLBZ-GFCCVEGCSA-N	315.797	2.013	70	20	DEID	
CCS(=O)(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1	160008197	HYJWYFOIFPWSPV-GDBMZVCRSA-N	310.463	2.321	70	20	DEID	
CC[C@H](C(=O)N[C@H](C)CS(=O)(=O)CC)c1ccc(F)cc1	160011196	IVHLRTXAHDYENH-RISCZKNCSA-N	315.410	2.259	70	20	DEID	
C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)C2(NC(N)=O)CC2)C2CC2)o1	160205750	KUEQDNMODLGLNF-MFKMUULPSA-N	317.389	2.095	70	20	DEID	
CNC(=O)[C@@H](C)CN(C)C(=O)CCOc1ccccc1C(C)C	160416695	MWAALUVTPFLIQV-AWEZNQCLSA-N	320.433	2.419	70	20	DEID	
C[C@H](NCc1ccc(CN2CCOCC2)cc1)[C@@H]1CCOC1	160580318	FAKYATNPNOMUJP-MAUKXSAKSA-N	304.434	2.033	70	20	DEID	
CCC(CC)c1nnc(NC(=O)c2cccc(=O)n2C)s1	160754338	UOLSZLSMKRDNEG-UHFFFAOYSA-N	306.391	2.393	70	20	DEID	
CC(C)Sc1n[nH]c(NS(=O)(=O)c2cccs2)n1	160937776	HWWZJIDJYQBUPZ-UHFFFAOYSA-N	304.422	2.168	70	20	DEID	
FC(F)(F)Cn1ccnc1CN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2	159627228	DZVMXEBPIHYXNR-RTXFEEFZSA-N	315.339	2.493	70	20	DEID	
CC(=O)N1CC[C@H](C(=O)Nc2cc(F)ccc2OC(F)F)C1	159461054	BUWKGVKZFCXFHL-VIFPVBQESA-N	316.279	2.234	70	20	DEID	
COCCN(C)CCN[C@H](C)c1ccc(-n2ccnc2C)cc1	159368585	NWIMZGXZYPUNOZ-OAHLLOKOSA-N	316.449	2.410	70	20	DEID	
CCc1ccc([C@@H](C)CC(=O)N[C@H]2CCN(C(C)=O)C2)cc1	159551917	UIZRBTMIASGJIJ-GUYCJALGSA-N	302.418	2.480	70	20	DEID	
C[C@H](NC(=O)N1CCc2cccc(F)c2C1)c1cnn(C)c1	159371617	ZLRNAJQCOWTCHY-NSHDSACASA-N	302.353	2.388	70	20	DEID	
COc1cc(C)cc(CNC(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)c1	159998108	FFYRFSPSARQTKT-UKRRQHHQSA-N	317.433	2.428	70	20	DEID	
COc1ccc([C@@H](C)NC(=O)N[C@H]2CC(=O)N(C(C)C)C2)cc1	217288143	WSBUIMHBQRGTRR-OCCSQVGLSA-N	319.405	2.065	70	20	DEID	
C[C@@H](C(=O)NCc1ccccc1Cl)N1CCC[C@@H](N(C)C)C1	217139951	QTIUCVPOJDHBHQ-DZGCQCFKSA-N	323.868	2.371	70	20	DEID	
COC(C)(C)C[C@@H](C)NC(=O)c1ccc(S(=O)(=O)F)cc1	864239485	KMRILTSUMPYIPW-SNVBAGLBSA-N	317.382	2.278	70	20	DEID	
Cc1cc(C(=O)NC[C@H]2CCOC2)nn1-c1ccc(F)cc1F	161115166	UMXFMXMPZDLXQU-LLVKDONJSA-N	321.327	2.225	70	20	DEID	
COc1ccc(COCCC(=O)N[C@H](CO)CC(C)C)cc1	161125942	BKFNHOPGNPFCCN-HNNXBMFYSA-N	309.406	2.125	70	20	DEID	
O=C(NCCOC1CCCC1)c1cccc(-c2ncn[nH]2)c1	161242188	JWCLALQQGUEGFJ-UHFFFAOYSA-N	300.362	2.161	70	20	DEID	
O=C(c1cnccn1)N1CC[C@@H](Oc2ccccc2Cl)C1	161249809	BVNSIPCHBXZNJK-LLVKDONJSA-N	303.749	2.424	70	20	DEID	
Cc1nc(Cc2noc(CSCc3cscn3)n2)no1	161254325	VRYWVPIXDXPHPM-UHFFFAOYSA-N	309.376	2.242	70	20	DEID	
COc1cc(C(=O)N(C)Cc2ccncc2)cc(OC)c1O	161256011	SHGKMOUOJWGCFG-UHFFFAOYSA-N	302.330	2.077	70	20	DEID	
CCC(CC)(CN)C(=O)N1CCN(C2CCC(C)CC2)CC1	161295018	HUVBTVBAKQHTMV-UHFFFAOYSA-N	309.498	2.474	70	20	DEID	
CO[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1cccc(Cl)c1C	160025071	QUHOBEAGIHKAKB-CHWSQXEVSA-N	310.781	2.271	70	20	DEID	
Cc1cnc(NC(=O)N[C@H]2CCN(c3ccccn3)C2)s1	160080530	BHDBCLZFTWHVHV-NSHDSACASA-N	303.391	2.247	70	20	DEID	
COC[C@@H]1CCCN1C(=O)Nc1ccn(CC(F)(F)F)n1	160333360	PBRMZYJOVUDTDJ-VIFPVBQESA-N	306.288	2.088	70	20	DEID	
CCCOc1ccc(CN2CCC[C@H]2C(N)=O)cc1OCC	160340854	PPUSEWJWQRQMAL-AWEZNQCLSA-N	306.406	2.324	70	20	DEID	
Cc1noc(C)c1[C@@H](C)CC(=O)N1CCOC2(CCOCC2)C1	160630126	CMDILSMSNYXJJG-LBPRGKRZSA-N	322.405	2.193	70	20	DEID	
CCOc1cccc2c1OCC(C(=O)N[C@@H](CO)CC(C)C)=C2	160742958	BMVWQTOKHFFUHZ-OAHLLOKOSA-N	319.401	2.384	70	20	DEID	
O=C1C[C@H](CC(=O)N2CCCN(CC3CCCCC3)CC2)CO1	160796256	WBMKFKLTMOHZSC-INIZCTEOSA-N	322.449	2.054	70	20	DEID	
CN(CC(C)(C)O)C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1	160842118	NQJZLKVKIGRNFP-CABCVRRESA-N	306.406	2.319	70	20	DEID	
Cc1nccn1C[C@H](C)CNC(=O)N[C@@H]1CCO[C@H](C2CC2)C1	159608098	SXMUIEVBXZPJLD-WQVCFCJDSA-N	320.437	2.084	70	20	DEID	
CCN1CCCN(C(=O)NCc2cccc(COC)c2)CC1	159617456	NCHBRVIZUWCDCI-UHFFFAOYSA-N	305.422	2.070	70	20	DEID	
CNC(=O)COc1cccc(CC(=O)O[C@@H]2CCC[C@H](C)C2)c1	159630710	ZXMLTVQYCIMYIH-XJKSGUPXSA-N	319.401	2.476	70	20	DEID	
CC(=O)N[C@H](C(=O)Nc1cc(C2CC2)nc(C)n1)C1CCCC1	159860493	OJKUYUHSZGOACS-INIZCTEOSA-N	316.405	2.296	70	20	DEID	
C[C@H]1C[C@H](NC(=O)Nc2cnn(C)c2)CN1Cc1ccccc1	159881647	MUJMPNLPHSIWPM-ZFWWWQNUSA-N	313.405	2.205	70	20	DEID	
O=C(NCC1(CO)CCOCC1)Nc1ccc(F)c(Cl)c1	159697311	ZYWXYUMRBUHOGX-UHFFFAOYSA-N	316.760	2.390	70	20	DEID	
O=C(CCC(=O)NC1CCCC1)NCc1nc(C2CC2)cs1	159770207	DGFWKESKAKBKEL-UHFFFAOYSA-N	321.446	2.476	70	20	DEID	
CC[C@@H](C)OCC(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	857674629	NQCMSQAIKQGZLR-MRVPVSSYSA-N	307.318	2.238	70	20	DEID	
C[C@@H](OCC1CC1)C(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	857674199	FHKPGVHJQNHQCK-MRVPVSSYSA-N	319.329	2.238	70	20	DEID	
C[C@]1(C(=O)Nc2ccc(S(=O)(=O)F)c(F)c2)CCCOC1	857674832	RRFYJVDROSLJGM-ZDUSSCGKSA-N	319.329	2.239	70	20	DEID	
O=C(N[C@@H]1CCc2ncnn2C1)N1CCC[C@@H]1C1CCCCC1	161030975	DJEBPZZBLRXEBG-HUUCEWRRSA-N	317.437	2.347	70	20	DEID	
O=C(Nc1ccc(-c2ncc[nH]2)cc1)[C@H]1CCn2ccnc2C1	161066187	UNFGGRXNWGDRJQ-ZDUSSCGKSA-N	307.357	2.474	70	20	DEID	
CN(Cc1ccncc1)C(=O)N[C@H]1[C@@H]2CCO[C@@H]2C12CCC2	161126652	HEQLLWGZKJVMOM-KKUMJFAQSA-N	301.390	2.181	70	20	DEID	
COCCC1(CNC(=O)NCCCNC2CCCCC2)CC1	161160502	AOHMFVFJODHFEY-UHFFFAOYSA-N	311.470	2.415	70	20	DEID	
COCc1nc2n(n1)C[C@@H](Nc1ccnc3ccccc13)CC2	161341408	AAXUAPDLANWLED-LBPRGKRZSA-N	309.373	2.400	70	20	DEID	
O=C(Nc1ccc(F)c(Cl)c1)N[C@@H]1CCc2ncnn2C1	161350113	UMFSQZZXPOKLQR-SECBINFHSA-N	309.732	2.207	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)c1c[nH]nc1-c1ccccc1	160309934	XXZMRPOSTZQLLZ-NSHDSACASA-N	301.346	2.148	70	20	DEID	
CN(CC(C)(C)CN1CCOCC1)C(=O)CCc1ccsc1	160329303	SGVIUXIBOUWCIB-UHFFFAOYSA-N	324.490	2.498	70	20	DEID	
COc1ccsc1C(=O)N1CCOC[C@@H]1[C@@H]1CCCCC1=O	160486280	MUMCOCSKSWJNLM-NWDGAFQWSA-N	323.414	2.357	70	20	DEID	
Cc1ccccc1[C@H]1CN(C(=O)[C@H](N)Cc2ccccc2)CCO1	160841357	RKZBSAKTPFADSP-RTBURBONSA-N	324.424	2.465	70	20	DEID	
CS[C@H](C)CC(=O)NCc1ccccc1N1CCOCC1	160875209	ABPMRHMIVJUHHC-CYBMUJFWSA-N	308.447	2.281	70	20	DEID	
CCS(=O)(=O)c1cccc(CC(=O)N[C@H]2CCC[C@@H]2C)c1	159825904	FNHNKUASSHUQIM-WFASDCNBSA-N	309.431	2.328	70	20	DEID	
C[C@@H](c1cccs1)N(C)C(=O)NC[C@@H]1CCCS1(=O)=O	159890791	RJJOQGXPKKCEGY-QWRGUYRKSA-N	316.448	2.028	70	20	DEID	
CCN1CCCN(C(=O)N[C@@H]2CCc3c(O)cccc32)CC1	159912455	RAJLVQMNXIGBMO-OAHLLOKOSA-N	303.406	2.117	70	20	DEID	
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1ccncc1	159948787	UAICFFUOKMMMSJ-MRXNPFEDSA-N	314.410	2.490	70	20	DEID	
N#CC1(NC(=O)c2cccc(S(=O)(=O)F)c2)CCCCC1	1120866163	IUTCTBHDGQIBIR-UHFFFAOYSA-N	310.350	2.301	70	20	DEID	
C[C@H]1CCCC[C@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1262673722	ZZQDRVFYALEHCF-UWVGGRQHSA-N	302.371	2.229	70	20	DEID	
CC(C)C[C@@H](CO)NC(=O)[C@H]1COc2ccc(Cl)cc2C1	161056618	HFJSDUQVIGUPDS-OCCSQVGLSA-N	311.809	2.414	70	20	DEID	
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)C2(CCOC)CC2)C1	161133731	ABFIBTAIBYASOL-HUUCEWRRSA-N	324.465	2.347	70	20	DEID	
O=S(=O)(c1cc2cc(Cl)ccc2s1)N1CC[C@@H](O)C1	161154546	PCBDCHLAZGJUSK-SNVBAGLBSA-N	317.819	2.310	70	20	DEID	
CSCCN(C)[C@H](C(N)=O)c1cccc(Br)c1	161376374	BRYQXLFOFZNSDD-NSHDSACASA-N	317.252	2.270	70	20	DEID	
COCCOc1cccc(CC(=O)NCCc2cccnc2)c1	161473105	JVRUSSMRJBSYQZ-UHFFFAOYSA-N	314.385	2.008	70	20	DEID	
CCCc1c(C(=O)N[C@@H]2CCC[C@H](N)C2)[nH]c(C)c1C(C)=O	161509029	TWTFIVGAFGLIOA-QWHCGFSZSA-N	305.422	2.478	70	20	DEID	
N[C@@H]1CCN(C(=O)c2nc(-c3ccccc3)n3c2CCCCC3)C1	160300835	BUZJCFQZBZCBRP-OAHLLOKOSA-N	324.428	2.450	70	20	DEID	
CNC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c(Cl)c1	160303124	REZFHUDDBXZFAN-BREBYQMCSA-N	308.765	2.206	70	20	DEID	
COc1cccc(NC(=O)NCc2c(C)nn(C)c2OC)c1	160358732	CZMCVDYQQMSLCD-UHFFFAOYSA-N	304.350	2.067	70	20	DEID	
O=C(NC[C@@H]1CCC[C@@H](O)C1)Nc1ccn(CC(F)(F)F)n1	160688603	OTFAWDQYQRAZGB-NXEZZACHSA-N	320.315	2.118	70	20	DEID	
Cc1ccc(S(=O)(=O)NCC(C)(C)O)cc1C(F)(F)F	160998567	SHJRIPXSENLFJX-UHFFFAOYSA-N	311.325	2.063	70	20	DEID	
CC[C@H](NS(=O)(=O)c1cnn(C)c1)c1ccc(F)cc1F	159622718	NLLUSNRIIXDLJM-ZDUSSCGKSA-N	315.345	2.128	70	20	DEID	
O=C(N[C@@H]1CCC[C@@H]2OCC[C@@H]21)c1cc(-c2ccco2)[nH]n1	159834287	CHNQFSIBBGWCAO-GYSYKLTISA-N	301.346	2.357	70	20	DEID	
CCOC(=O)C1CCN(C(=O)CN2CC[C@@H]3CCCC[C@@H]32)CC1	159681096	URXZZATXVKLCDF-HOCLYGCPSA-N	322.449	2.053	70	20	DEID	
CO[C@@H]1CCC[C@H]1NC(=O)NCc1cccc(NC(C)=O)c1	159952124	VLUQUJXJCNGTQP-HUUCEWRRSA-N	305.378	2.012	70	20	DEID	
CC(C)C[C@](C)(C#N)NC(=O)c1ccc(S(=O)(=O)F)cc1	864240531	ZJGHTRZQBYILMJ-CQSZACIVSA-N	312.366	2.403	70	20	DEID	
C[C@H](Cc1ccncc1)NC(=O)c1cccc(S(=O)(=O)F)c1	1120944761	XTNZKBIJLPNJFD-LLVKDONJSA-N	322.361	2.101	70	20	DEID	
O=C(CCc1ccc(S(=O)(=O)F)cc1)NCCC(F)F	1339201293	MLMIXFAVDGVTJV-UHFFFAOYSA-N	309.309	2.049	70	20	DEID	
CCN(CCSC)C(=O)Cc1ccc(S(=O)(=O)F)cc1	1349731210	HYSLRVYWSUCTON-UHFFFAOYSA-N	319.423	2.099	70	20	DEID	
O=C(NCc1cccc(F)c1)c1cccc(S(=O)(=O)F)c1	1515237775	UTSASSQTQCTEDJ-UHFFFAOYSA-N	311.309	2.414	70	20	DEID	
Cn1cncc1[C@H]1CCCCN1c1ccc(S(=O)(=O)F)cn1	1550621560	WHMYGGDAKZZUGV-GFCCVEGCSA-N	324.381	2.205	70	20	DEID	
Cn1cnc2cc(C(=O)N3CCc4cc(F)ccc4C3)cnc21	161071868	QFRUWEBXHFPFSL-UHFFFAOYSA-N	310.332	2.306	70	20	DEID	
CCCCn1ncc(C(=O)NCCCOC[C@@H]2CCCO2)c1C	161183582	KYSLINHSTLJXSW-HNNXBMFYSA-N	323.437	2.307	70	20	DEID	
Cc1ncc([C@@H](C)N[C@@H](C)C(=O)NCc2ccccc2)c(C)n1	161190519	STCDLFNHRWUVJJ-OCCSQVGLSA-N	312.417	2.449	70	20	DEID	
COc1ccc(NC(=O)c2cccn2C2CCNCC2)cc1N	161232925	WXYISULWQJDYGF-UHFFFAOYSA-N	314.389	2.256	70	20	DEID	
CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1cccnc1O	161502916	LYNLTDMGJIJUJE-UHFFFAOYSA-N	317.364	2.130	70	20	DEID	
O=C(NCc1cccc(O)c1)c1cc2c([nH]c1=O)CCCCC2	160225838	UKAHWMFECKWQOM-UHFFFAOYSA-N	312.369	2.279	70	20	DEID	
CCCNC(=O)CCNC(=O)C[C@@H](C)c1ccc(F)cc1F	160243801	DGQBYQOPZJYTKS-LLVKDONJSA-N	312.360	2.491	70	20	DEID	
CCN(CC(=O)Nc1c(F)cccc1F)Cc1c[nH]nc1C	160254878	WUCQKMRWJDBGEM-UHFFFAOYSA-N	308.332	2.457	70	20	DEID	
O=C(NCCCOCC1CC1)N[C@H]1[C@@H]2c3ccccc3C[C@H]21	160810490	SHYOFVNBHULLGB-BRWVUGGUSA-N	300.402	2.441	70	20	DEID	
CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)C(C)(C)C)nc1	160896577	OWZFNEPUQLWLGH-UHFFFAOYSA-N	313.423	2.143	70	20	DEID	
CCC(CC)(CNCC(=O)NC1CCC(C)CC1)C(=O)OC	159679929	UONCKHLVCZRQKE-UHFFFAOYSA-N	312.454	2.250	70	20	DEID	
CC(C)COCCCNC(=O)Nc1ccnn1C[C@@H]1CCOC1	159493930	LHPGGAPTDYHCQT-AWEZNQCLSA-N	324.425	2.104	70	20	DEID	
C[C@@H](CC(=O)Nc1cnn(CC(F)(F)F)c1)[C@@H]1CCCNC1	159697506	DFRJFTKQMFHPHK-WDEREUQCSA-N	318.343	2.410	70	20	DEID	
CC(C)n1nccc1C(=O)NCCNC(=O)CC1CCCCC1	159713342	XEVBZADJHJKIEW-UHFFFAOYSA-N	320.437	2.280	70	20	DEID	
CCOC(C)(C)CNC[C@@H](O)COc1ccccc1Cl	159398593	WSJYNFKMDVAZJT-GFCCVEGCSA-N	301.814	2.484	70	20	DEID	
C/C(=C\C(=O)NCC1CCN(C(=O)C(F)(F)F)CC1)C1CC1	216743813	WWGKOTTWTMYBEL-CSKARUKUSA-N	318.339	2.260	70	20	DEID	
C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1263717414	FHCIVGUSEIFJCF-ZFWWWQNUSA-N	322.361	2.133	70	20	DEID	
C=CCCCCCN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1527565325	JJKONMIZUQKMIF-UHFFFAOYSA-N	302.371	2.491	70	20	DEID	
CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NCc2cnc(C)s2)C1	161043143	AMIXFBYABUXLET-WCQYABFASA-N	323.462	2.352	70	20	DEID	
CCOc1ccc2c(c1)C[C@H](C(=O)N[C@H](CO)CC(C)C)CO2	161195592	FELVSKARRVSCPQ-GJZGRUSLSA-N	321.417	2.160	70	20	DEID	
O=C1CCCc2cc(NC(=O)[C@H]3CCn4ccnc4C3)ccc2N1	161388107	NCDUGQXYGFFYOO-ZDUSSCGKSA-N	324.384	2.359	70	20	DEID	
COc1ccc(CNC(=O)[C@H]2[C@@H](N)[C@H]3CC[C@@H]2C3)cc1Cl	161492117	AOXRDLMYPXZJHI-BVIHXZOGSA-N	308.809	2.338	70	20	DEID	
CCOCCO[C@H](C)C(=O)N[C@H]1CCc2c(OC)cccc21	160173200	VCHYSTKSSYFVMF-DOMZBBRYSA-N	307.390	2.240	70	20	DEID	
CC(C)CC(=O)Nc1ccc(C(=O)N(C)[C@@H](C)CO)cc1F	160420398	JIMHRZWNXIMWOB-NSHDSACASA-N	310.369	2.263	70	20	DEID	
CC(C)(C)C(=O)NCC(=O)N[C@@H]1CCOC2(CCCCC2)C1	160582366	ZGNGNLGXSQXPGK-CYBMUJFWSA-N	310.438	2.147	70	20	DEID	
CCCN(CC(=O)N(C)C)C(=O)c1ccc(F)c(SC)c1	160606760	ISIOPRRGUYVACU-UHFFFAOYSA-N	312.410	2.488	70	20	DEID	
CN[C@H]1CCN(C(=O)c2csc(CCc3ccccc3)n2)C1	160627454	LLWWXRTVKXGWTR-AWEZNQCLSA-N	315.442	2.362	70	20	DEID	
Cc1cnn(CCC(=O)N[C@@H](C)CC(=O)c2cccs2)c1	160744261	LCLYJCPDLJUQQS-LBPRGKRZSA-N	305.403	2.421	70	20	DEID	
C[C@]1(O)CCCN(C(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)C1	160827685	RXTPZAMVHGSLLR-BQFCYCMXSA-N	318.417	2.463	70	20	DEID	
Cc1cc(F)c(C(=O)Nc2ccc(OCC(N)=O)cc2)cc1F	160975432	GWRXORXPTZJFJC-UHFFFAOYSA-N	320.295	2.390	70	20	DEID	
CCOCCC1(CNC(=O)[C@H](NC(C)=O)C2CCCC2)CCC1	160997960	IBZVSSOYKZFSIP-MRXNPFEDSA-N	324.465	2.394	70	20	DEID	
CNS(=O)(=O)c1cccc(NC(=O)c2cc(C)c(C)o2)c1C	159414809	XUMBXJKGYJBIQO-UHFFFAOYSA-N	322.386	2.365	70	20	DEID	
CCO[C@H](C)c1noc(CN(C)C2(C(=O)OC)CCCC2)n1	159427109	FKDDHFKMBYKEDW-LLVKDONJSA-N	311.382	2.085	70	20	DEID	
O=C1CN(C(=O)CN2CC[C@@H]3CCCC[C@@H]32)c2ccccc2N1	159652930	DNFCBADKCVODKY-ZFWWWQNUSA-N	313.401	2.236	70	20	DEID	
Cc1ccc2c(CC(=O)N3CCCC[C@H]3C(N)=O)coc2c1	159865372	ZMAAGUZMSUPRTE-AWEZNQCLSA-N	300.358	2.150	70	20	DEID	
CC(C)(C)N1CCC(NC(=O)c2cccc3[nH]c(=O)oc23)CC1	159717003	LVBYMWRTRXHAEG-UHFFFAOYSA-N	317.389	2.114	70	20	DEID	
CCN1CCCN(C(=O)NCCCOC2CCCCC2)CC1	159558273	DVUDEJWDXALANF-UHFFFAOYSA-N	311.470	2.463	70	20	DEID	
CCOC(=O)c1sc2ccncc2c1S(=O)(=O)Cl	238854253	NDJDIZOKBKDLBY-UHFFFAOYSA-N	305.764	2.401	70	20	DEID	
C[C@@]1(C(=O)Nc2cccc(S(=O)(=O)F)c2)CCCCO1	460098338	ZSJKSXDQTRUDBO-ZDUSSCGKSA-N	301.339	2.243	70	20	DEID	
O=C(OC[C@H]1CCC[C@@H](O)C1)c1ccc(S(=O)(=O)F)cc1	490536349	JDBCVJYTTDPJLG-CMPLNLGQSA-N	316.350	2.053	70	20	DEID	
CC[C@@H](C)[C@H](OC)C(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	857672901	LPUVVYOKGOMFGQ-PELKAZGASA-N	321.345	2.484	70	20	DEID	
Cc1cnccc1CCNC(=O)c1ccc(S(=O)(=O)F)cc1	864243006	WVVACRLRGCLGHT-UHFFFAOYSA-N	322.361	2.021	70	20	DEID	
COCC1(NC(=O)c2ccc(S(=O)(=O)F)cc2)CCCC1	864243612	PLTTYMJPZROTKS-UHFFFAOYSA-N	315.366	2.034	70	20	DEID	
O=C(O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1	1602325254	QGAKBWYWSWPYED-UHFFFAOYSA-N	323.301	2.295	70	20	DEID	
COCCNC(=O)N[C@H](c1ccc(OC)cc1)C(F)(F)F	161498161	MYWGRZMIDKGXMI-LLVKDONJSA-N	306.284	2.244	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)Cc1c[nH]c2cccc(C)c12	160024159	LEYOMJRYZHREFJ-LBPRGKRZSA-N	302.374	2.477	70	20	DEID	
C[C@@H](CC(=O)NC[C@@]1(O)CCSC1)c1ccc(F)cc1F	160216430	DNAXINLCHGDWDQ-BONVTDFDSA-N	315.385	2.443	70	20	DEID	
CN(C(=O)Nc1ccc(O[C@H]2CCOC2)cc1)[C@H]1CCOC1	160346862	DLVXBRXRYJLANW-ZFWWWQNUSA-N	306.362	2.107	70	20	DEID	
CCOc1cc(CN2CCC[C@@H]2C(N)=O)ccc1OC(F)F	160367637	VPMHQZPTKYKDCW-LLVKDONJSA-N	314.332	2.136	70	20	DEID	
COc1cc(Cl)c(C(=O)N[C@@H](CO)CC(C)C)cc1OC	160710740	KYXVQHCGBQKSBA-SNVBAGLBSA-N	315.797	2.494	70	20	DEID	
CCN(CC)C(=O)CCC(=O)N1CCc2c(F)cccc2C1	160978157	HQIUTICTUMCWDR-UHFFFAOYSA-N	306.381	2.359	70	20	DEID	
CC(=O)N1CCCN(C(=O)Nc2ccnc(C)c2Cl)CC1	159433298	PSGHPPASAKWGAK-UHFFFAOYSA-N	310.785	2.130	70	20	DEID	
COc1ccc(NS(=O)(=O)c2sccc2OC)c(C)n1	159890546	VPZGXRRGBSGQKJ-UHFFFAOYSA-N	314.388	2.270	70	20	DEID	
CC(=O)N1CC[C@@H](NC(=O)Cc2ccc(Cl)cc2Cl)C1	159763687	JYCZCLHFNVIWNF-GFCCVEGCSA-N	315.200	2.273	70	20	DEID	
CCC1(C(=O)Nc2ccc(S(=O)(=O)F)cc2)CCOCC1	274954670	IZVODKBTQRJHKG-UHFFFAOYSA-N	315.366	2.490	70	20	DEID	
O=C(Nc1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)F)cc1	864238684	OERRWUVAGFEQRH-UHFFFAOYSA-N	323.301	2.326	70	20	DEID	
CCOC(=O)C[C@H](C)CNc1nc(C(C)C)nc(N(C)C)n1	161021398	DBCZEYKLHUJPIV-NSHDSACASA-N	309.414	2.062	70	20	DEID	
CCCCc1nc(Cn2ccc(C(=O)OC(C)C)cc2=O)no1	161048243	XRQCFDLDOILGFO-UHFFFAOYSA-N	319.361	2.187	70	20	DEID	
Cc1cccc(NC(=O)[C@H](C)N2C(=O)[C@H]3CCCC[C@H]3C2=O)c1	161137854	AZYMSWUJFKOPHZ-AEGPPILISA-N	314.385	2.497	70	20	DEID	
CN(Cc1cc2ccccc2o1)C(=O)CNC[C@@H]1CCCO1	161414548	SGLBUCWDAVVNJT-AWEZNQCLSA-N	302.374	2.160	70	20	DEID	
CC[C@H](NC(=O)C(=O)c1c(C)nn(C)c1C)c1c(C)noc1C	160056730	RLARBGMDLNNTSB-LBPRGKRZSA-N	318.377	2.092	70	20	DEID	
CCc1n[nH]c(=O)c(CNC(=O)N[C@@H](C)CC(C)C)c1CC	160221604	FIMDONZMHLBQPC-NSHDSACASA-N	308.426	2.129	70	20	DEID	
O=S(=O)(Nc1ccn(CC(F)(F)F)n1)c1ccccc1	160262559	WIMBCYKZICVJKR-UHFFFAOYSA-N	305.281	2.246	70	20	DEID	
CCN(CC)C(=O)C[S@](=O)c1ncc(C(C)(C)C)s1	160473973	QABFCGLSTPOYCC-LJQANCHMSA-N	302.465	2.417	70	20	DEID	
Cc1nc2n(n1)C[C@H](N[C@H](C)c1ccc(-n3ccnc3)cc1)CC2	160484950	OTNRUEDIBNVWFN-CZUORRHYSA-N	322.416	2.438	70	20	DEID	
CCCNC(=O)c1cccc(CN[C@H]2CCN(C)C[C@@H]2C)c1	160596472	CUQXARPXQRIETB-YOEHRIQHSA-N	303.450	2.256	70	20	DEID	
Cc1cnccc1CCNC(=O)NC[C@H](C(C)C)N1CCCC1	160816604	LXFJOHXVUOAVJT-QGZVFWFLSA-N	318.465	2.352	70	20	DEID	
CC(C)Oc1ccc(CNC(=O)N2CCO[C@H](C)[C@@H]2C)cn1	160857414	YCAAKNHLYWMYBK-QWHCGFSZSA-N	307.394	2.188	70	20	DEID	
CN(CCC(F)(F)F)C(=O)c1cccc2c1oc(=O)n2C	160991804	PSJHZYSKBXZPOT-UHFFFAOYSA-N	302.252	2.156	70	20	DEID	
CN(C[C@@H]1CCC[C@@H]1O)[C@H](C(=O)NC1CC1)c1ccccc1	159806318	FAQSMDCNHNWDKB-XIRDDKMYSA-N	302.418	2.099	70	20	DEID	
CCOC(=O)CN(C(=O)Cc1cc(F)c(F)cc1F)C1CC1	159813949	YOUJREFJIUIXMJ-UHFFFAOYSA-N	315.291	2.201	70	20	DEID	
CN(CCC1CC1)CC(=O)NC[C@@H](c1ccccc1)N(C)C	159426493	ALSVJHNEWYTJNP-KRWDZBQOSA-N	303.450	2.137	70	20	DEID	
CN(CCC1CC1)CC(=O)NC[C@H](c1ccccc1)N(C)C	159426601	ALSVJHNEWYTJNP-QGZVFWFLSA-N	303.450	2.137	70	20	DEID	
C[C@H]1CSc2ccccc2N(C(=O)c2ccc(=O)n(C)n2)C1	159641918	QEMSDJJCODHEDN-LLVKDONJSA-N	315.398	2.169	70	20	DEID	
CNC(=O)c1ccc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1	159661878	DLJOEEGKXSLZBA-XHSDSOJGSA-N	300.402	2.093	70	20	DEID	
COc1ccc(OCCC(=O)NC[C@H](O)c2ccsc2)cc1	159520043	RLOUAOFFJJHGMX-HNNXBMFYSA-N	321.398	2.375	70	20	DEID	
CO[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(OC(C)C)cc1	159929726	WFMIQPHTQKKQRU-HUUCEWRRSA-N	320.389	2.096	70	20	DEID	
CC(C)CCn1ccc(NC(=O)N2CC[C@H](N3CC=CC3)C2)n1	159547942	AATJQYKTYIYUBX-HNNXBMFYSA-N	317.437	2.407	70	20	DEID	
Cc1ccc(S(=O)(=O)NC2(C)CCOCC2)c(Cl)c1	161053231	MOZCWDZCQODZME-UHFFFAOYSA-N	303.811	2.496	70	20	DEID	
O=C1N[C@@H](CCc2ccccc2)C(=O)N1Cc1nccs1	161131305	WERFKCZUZCCESP-LBPRGKRZSA-N	301.371	2.196	70	20	DEID	
COCc1ccc(CNC(=O)NCc2ccccc2CO)cc1	161132729	PTMGPXRGRFYJOV-UHFFFAOYSA-N	314.385	2.325	70	20	DEID	
CC1CCN(C(=O)/C=C/C(=O)Nc2ccc3[nH]ncc3c2)CC1	161187901	DBLDPFCTOUBHAS-SNAWJCMRSA-N	312.373	2.316	70	20	DEID	
Cc1sc2ncnc(SCCC(=O)NCCCN)c2c1C	160080470	XKAAZNVFDJCYIH-UHFFFAOYSA-N	324.475	2.255	70	20	DEID	
CC[C@](C)(O)CNC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1	160081233	JASRXPSERDVBTJ-ZVZYQTTQSA-N	319.449	2.110	70	20	DEID	
CCc1c(C(=O)N(C)Cc2nccn2C)cnn1CC(C)C	160162242	YLMTWXRGZFRZRO-UHFFFAOYSA-N	303.410	2.107	70	20	DEID	
C[C@@H](CCO)NC(=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F	160328673	JYUAKYWYSWWHTE-KWQFWETISA-N	308.275	2.499	70	20	DEID	
Cc1ccc(-c2nnc(NC(=O)[C@@H]3CSCCS3)[nH]2)o1	160329755	XWGCQTZOAQLZOQ-VIFPVBQESA-N	310.404	2.160	70	20	DEID	
O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)[C@@H]2CCCCN2)C1	160389229	MZSZLAGWUUXXFY-HOCLYGCPSA-N	318.392	2.389	70	20	DEID	
CC(C)(C)c1cnc([S@](=O)Cc2nnnn2C2CC2)s1	160561633	WJTUKUOAQDAQRN-FQEVSTJZSA-N	311.436	2.070	70	20	DEID	
Cc1ccc(C(=O)NCC2CCN(CCO)CC2)cc1Cl	160657205	SATFNFXQZPUDMS-UHFFFAOYSA-N	310.825	2.083	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)C(C)(C)Oc1ccc(F)cc1	160721463	ZRKWZCBTAOCWSD-NSHDSACASA-N	311.353	2.441	70	20	DEID	
O=C(N[C@@H]1CCN(CC2CC2)C1)N1CCC[C@@H]1c1ccc[nH]1	160741755	HGOCJZAOKDJCHB-GDBMZVCRSA-N	302.422	2.346	70	20	DEID	
COc1cc(C)cc(CNC(=O)c2cnc3c(c2)ncn3C)c1	160957702	JSGKVWPTGOSRHW-UHFFFAOYSA-N	310.357	2.215	70	20	DEID	
COC(=O)CCCC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1	159441559	WPQWXFQIMOWANE-CABCVRRESA-N	305.374	2.366	70	20	DEID	
CCOc1cccc(NC(=O)C(=O)N2CCC3(CCC3)C2)c1	159449616	GFRDYSSLDVTFBU-UHFFFAOYSA-N	302.374	2.426	70	20	DEID	
CCCn1c(C)nnc1CN1CC[C@H](CN2CCCCC2)C1	159681463	VQNFHHBEURCKGS-MRXNPFEDSA-N	305.470	2.304	70	20	DEID	
CCc1ccc(CC(=O)NCc2nnc3n2CCCCC3)cc1	159553896	XBEVOLGQXCUAEC-UHFFFAOYSA-N	312.417	2.426	70	20	DEID	
O=C(CC1CCOCC1)Nc1ccc(S(=O)(=O)F)c(F)c1	857674620	NJCVMOSPUKXNHN-UHFFFAOYSA-N	319.329	2.239	70	20	DEID	
CCN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@H](C)C(F)(F)F	1121095007	NNTNWGIVDKTDES-ZCFIWIBFSA-N	316.276	2.086	70	20	DEID	
C[C@H]1CCC[C@H](C)N(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1337519788	JDLAKBIMHXPIIA-UWVGGRQHSA-N	302.371	2.324	70	20	DEID	
CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1339472250	MBYDTCPDRNDDEW-KOLCDFICSA-N	302.371	2.372	70	20	DEID	
CN(C[C@@H]1CCC[C@@H]1O)C(=O)NC[C@@H]1CCOc2ccccc21	161016287	ZNEPAQHXXTWDMJ-DZKIICNBSA-N	318.417	2.355	70	20	DEID	
CCS(=O)(=O)NCCN1c2ccccc2S[C@H](C)[C@@H]1C	161239712	MPEGFTUIRBREJS-NWDGAFQWSA-N	314.476	2.315	70	20	DEID	
O=C(C1=COCCO1)N1CC[C@@H](Oc2ccccc2Cl)C1	161288620	AGZYNDSGGRYYSN-LLVKDONJSA-N	309.749	2.208	70	20	DEID	
CCCOc1cc(F)ccc1NS(=O)(=O)c1cnn(C)c1	161292181	JYHPYWHMOCUBJE-UHFFFAOYSA-N	313.354	2.149	70	20	DEID	
CCC(=O)N[C@H]1CCCN(C(=O)C[C@H](C)c2ccncc2)C1	160295334	PFROPPBQKLLLGB-ZFWWWQNUSA-N	303.406	2.092	70	20	DEID	
NC(=O)[C@H]1CCCN1Cc1ccccc1OCc1cccnc1	160353546	WLOCFLMZDNWXCS-MRXNPFEDSA-N	311.385	2.110	70	20	DEID	
C[C@H](Cc1ccccc1F)NC(=O)[C@@H]1CCn2ccnc2C1	160358182	XCSBHWCHHHTDEB-TZMCWYRMSA-N	301.365	2.332	70	20	DEID	
CNC(=O)c1ccc(NC(=O)N(C)CCc2nccs2)cc1	160381099	VQLFVBKWFCNSSP-UHFFFAOYSA-N	318.402	2.209	70	20	DEID	
Clc1cc(N2CCC[C@@H]2CN2CCOCC2)nc(C2CC2)n1	160418227	UTWJTVWIOISEFW-CYBMUJFWSA-N	322.840	2.308	70	20	DEID	
Cc1nn(C)c(C)c1OCC(=O)N(C)c1ccc(Cl)cn1	160503737	RVPOYMYVFVUQBJ-UHFFFAOYSA-N	308.769	2.127	70	20	DEID	
CCCNC(=O)c1cccc(CN[C@H](C)c2cnn(C)c2)c1	160597086	RMUKRTVJCSMUPU-CYBMUJFWSA-N	300.406	2.411	70	20	DEID	
CS[C@H](C)CNC(=O)NCc1cccc2c1OCCCO2	160787208	WKNLUDCCAAGQKB-LLVKDONJSA-N	310.419	2.399	70	20	DEID	
Cc1c(C(=O)NC[C@@H](C)CCO)cnn1-c1ccc(F)cc1	160997910	PKUMKGQXLPCZKA-NSHDSACASA-N	305.353	2.068	70	20	DEID	
C[C@H]1CSc2ccccc2N(C(=O)CCS(C)(=O)=O)C1	159628713	KZHWPGFIQDBHKO-LLVKDONJSA-N	313.444	2.196	70	20	DEID	
Cc1c(CCC(=O)N[C@@H](C)CN2C[C@@H](C)C[C@@H](C)C2)cnn1C	159446688	KBPYARNBISKAJJ-ZNMIVQPWSA-N	320.481	2.144	70	20	DEID	
CCOC(=O)CN(C)[C@H](C)C(=O)N1CCC[C@@H]1c1cccs1	159514517	HPAABCXIAXJQRV-CHWSQXEVSA-N	324.446	2.295	70	20	DEID	
CNC(=O)[C@@H]1CCCN1C(=O)N[C@@H](C)c1ccc(C)c(F)c1	159738326	OFNLRYYUTIXZPJ-FZMZJTMJSA-N	307.369	2.115	70	20	DEID	
COc1ccc(COCCC(=O)Nc2c[nH]c(=O)c(C)c2)cc1	159374241	JOGHSGCPPWBXTJ-UHFFFAOYSA-N	316.357	2.237	70	20	DEID	
CCOc1cccc(NS(=O)(=O)c2sccc2OC)n1	159761687	GAWCLLPRZOHGAB-UHFFFAOYSA-N	314.388	2.351	70	20	DEID	
CCOCCC1(CNC(=O)c2cn(-c3ccccc3)nn2)CC1	159384137	CWMVMMMLYJZDDB-UHFFFAOYSA-N	314.389	2.204	70	20	DEID	
COCCC[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)F)cc1	123031409	RHFNCDSKQBHAMH-SNVBAGLBSA-N	303.355	2.346	70	20	DEID	
CC[C@H](C)[C@H](OC)C(=O)Nc1ccc(S(=O)(=O)F)cc1	460093721	QBGPZURKFAORJZ-CABZTGNLSA-N	303.355	2.344	70	20	DEID	
C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cccc(S(=O)(=O)F)c1	904587296	LWEAQNARLYWTDR-STQMWFEESA-N	313.350	2.265	70	20	DEID	
CCOc1ccc(NC(=O)N(C)CCCC(=O)NC)cc1F	161146763	PEMKWJDDTUNHTC-UHFFFAOYSA-N	311.357	2.214	70	20	DEID	
Cc1nccn1CCCCN1CCN(c2cccc(O)c2)CC1	161319922	FXNUTSOOEWIWNE-UHFFFAOYSA-N	314.433	2.500	70	20	DEID	
Cc1ccc(C(=O)c2ccccc2C(=O)N2CC(O)C2)cc1C	161443984	RVWXAJOBLITWNN-UHFFFAOYSA-N	309.365	2.351	70	20	DEID	
CC[C@H](Cc1ccccc1Br)C(=O)NCCCN	160067460	GNHBTNNZYWIWMB-LLVKDONJSA-N	313.239	2.483	70	20	DEID	
CC(C)OC(=O)CCCNC(=O)N1C[C@H](C)S[C@@H](C)C1	160109318	AFRZBHIGJYVNFQ-RYUDHWBXSA-N	302.440	2.254	70	20	DEID	
CCOCCC1(CNC(=O)CCOC2CCOCC2)CCC1	160202904	NXZLVBNCNXFSSY-UHFFFAOYSA-N	313.438	2.285	70	20	DEID	
CC(C)(C)c1nsc(NCCC(=O)NCc2ccccn2)n1	160321323	CXVWFPYBHJOBLW-UHFFFAOYSA-N	319.434	2.349	70	20	DEID	
COc1cc(C)ccc1OCC(=O)N(C)Cc1cccn1C	160359324	FESJQYVEQPXEKB-UHFFFAOYSA-N	302.374	2.380	70	20	DEID	
COCC(C)(C)C(=O)NC[C@@H](c1cccc(OC)c1)N(C)C	160372712	FOINRYOLQLITTN-HNNXBMFYSA-N	308.422	2.087	70	20	DEID	
Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[C@H]1COC(=O)C1	160439619	VNOYUKLOFJOAQZ-CYBMUJFWSA-N	313.357	2.381	70	20	DEID	
CC(C)c1cc(=O)n(CC(=O)N(C)Cc2ccc(F)cc2)cn1	160652579	AZLXBACFZJJIGS-UHFFFAOYSA-N	317.364	2.164	70	20	DEID	
Cc1cc(Cl)ccc1C(=O)N[C@H](C)CCS(C)(=O)=O	160824304	OAESAMWQQOITQG-SNVBAGLBSA-N	303.811	2.201	70	20	DEID	
CCC[C@@H]1CN(C(=O)N[C@@H](C)c2nnc3ccccn23)CCO1	159406746	MFORHVRSUMHMNR-QWHCGFSZSA-N	317.393	2.001	70	20	DEID	
C[C@H](c1ccsc1)N1CCN(C(=O)c2ncccc2O)CC1	159413424	WPMSRHCAWIVWJD-GFCCVEGCSA-N	317.414	2.368	70	20	DEID	
CN(C)C(=O)Nc1ccc(Cl)c(C(=O)NCC(F)F)c1	159421879	PXGVPQXYHGZKCH-UHFFFAOYSA-N	305.712	2.428	70	20	DEID	
COc1cccc(CNC(=O)N(C)C[C@@H]2CCC[C@H]2O)c1OC	159671237	ZIODGNWDERCYRZ-UONOGXRCSA-N	322.405	2.006	70	20	DEID	
CC[C@H](NC(=O)Nc1cccc(C(=O)NC)c1)[C@H]1CCCO1	159871986	HYCXBBFQXDNLFY-UONOGXRCSA-N	305.378	2.125	70	20	DEID	
C[C@@H](SCCN1CCOCC1)C(=O)N[C@H](C)c1ccccc1	159929959	GDXPKOJKRASSBG-HUUCEWRRSA-N	322.474	2.318	70	20	DEID	
NC(=O)c1cccc(CNC(=O)c2cc(F)cc3cccnc23)c1	159741205	KQKLKYAMSDCKSX-UHFFFAOYSA-N	323.327	2.403	70	20	DEID	
CCS(=O)(=O)CC(=O)N1C[C@H](C)CSc2ccccc21	159591788	PMNOIELULUIZIQ-NSHDSACASA-N	313.444	2.196	70	20	DEID	
CCOC(=O)c1sc2ncccc2c1S(=O)(=O)Cl	238860542	ZVPREGSYIALZCU-UHFFFAOYSA-N	305.764	2.401	70	20	DEID	
CC(=O)c1cccc(NC(=O)N[C@H]2CC(=O)N(C(C)C)C2)c1	217288264	QHURBWGETJNUGD-AWEZNQCLSA-N	303.362	2.020	70	20	DEID	
Cc1cc(NS(=O)(=O)C[C@H]2CCCCO2)cnc1Cl	161015487	OZTBTHAODPNHIZ-LLVKDONJSA-N	304.799	2.354	70	20	DEID	
Cc1ccc(NC(=O)COC(C)(C)C)cc1S(=O)(=O)F	857675209	GKGJJGZVAPMLHP-UHFFFAOYSA-N	303.355	2.407	70	20	DEID	
CO[C@H]1CC[C@@H](OC(=O)c2ccc(S(=O)(=O)F)cc2C)C1	1338918463	WDCXMLMDPSNOJS-WDEREUQCSA-N	316.350	2.378	70	20	DEID	
CCNC(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1	161038142	GAYRLTHGYFERSG-HNNXBMFYSA-N	313.405	2.472	70	20	DEID	
COCCC1(CNC(=O)N2CCC[C@H]2CN2CCCCC2)CC1	161119203	OBUXQKFKAHRSER-INIZCTEOSA-N	323.481	2.463	70	20	DEID	
C[C@H](c1ccco1)N(C)C(=O)CCCNC(=O)c1cccnc1	161132922	DSAGBMWGJNUERC-CYBMUJFWSA-N	315.373	2.404	70	20	DEID	
O=C(Nc1ccn(CC(F)(F)F)n1)N[C@H]1CCCC[C@@H]1CO	160331469	BSOZKHZQYFCMQS-ZJUUUORDSA-N	320.315	2.118	70	20	DEID	
Cc1cc(CN2CCC[C@@H]2C(N)=O)sc1Br	160334643	GSKBSXLWKNIRKX-SECBINFHSA-N	303.225	2.269	70	20	DEID	
O=C([C@@H]1CCCCO1)N1CCC[C@H](NCc2ccccc2)C1	160378688	MEHZQZAMWAUCKX-IRXDYDNUSA-N	302.418	2.336	70	20	DEID	
CC(C)C[C@@H](CO)NC(=O)c1cnn(-c2ccccc2F)c1	160692363	GNEWVGUJRHBQKL-ZDUSSCGKSA-N	305.353	2.148	70	20	DEID	
CC(C)[C@H](N)C(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1	160968895	SIKNUJNDUWTSQV-RYUDHWBXSA-N	305.205	2.126	70	20	DEID	
CCn1c(S[C@H](C(N)=O)C(C)C)nc2ccc(F)cc2c1=O	159810716	CKARRAJUJXVRRE-LBPRGKRZSA-N	323.393	2.158	70	20	DEID	
O=C(NCC1(CO)CCOCC1)Nc1cccc(Cl)c1F	159882149	OZEIXSMUALFRSO-UHFFFAOYSA-N	316.760	2.390	70	20	DEID	
CS(=O)(=O)CCN(C(=O)Nc1cc(F)ccc1F)C1CC1	159888057	ALBDJZAJBZBXCH-UHFFFAOYSA-N	318.345	2.006	70	20	DEID	
Cc1ccccc1CCNC(=O)CCC(=O)NC1CCCC1	159510717	JZABRVNWEDVGHQ-UHFFFAOYSA-N	302.418	2.493	70	20	DEID	
CC[C@@H]1C[C@H]1CNC(=O)CCc1ccc(S(=O)(=O)F)cc1	1129041845	LQLNRHLICYNZGH-OLZOCXBDSA-N	313.394	2.440	70	20	DEID	
CCN(CCNC[C@@H]1CCCN1C(=O)OC(C)(C)C)C1CC1	217466111	VDVPQHFCXRJKGE-HNNXBMFYSA-N	311.470	2.460	70	20	DEID	
CC1(NS(=O)(=O)Cc2cccc3cccnc23)CCOCC1	161020156	JCZXTPSALWUDPI-UHFFFAOYSA-N	320.414	2.223	70	20	DEID	
COC[C@@H](O)CCNC(=O)C1(c2cccc(OC)c2)CCCC1	161194952	RRWPQXAOCIKGKT-HNNXBMFYSA-N	321.417	2.021	70	20	DEID	
CCN1C[C@H](C(=O)N(C)c2ccc(OC)c(Cl)c2)CC1=O	160001384	KDMNHNPLAQXHCD-SNVBAGLBSA-N	310.781	2.180	70	20	DEID	
COc1cccc(-c2cc(C(=O)N[C@H](C)[C@@H]3CCOC3)[nH]n2)c1	160355023	GEWZPIPDUXWIBI-DGCLKSJQSA-N	315.373	2.240	70	20	DEID	
CCc1noc(CS(=O)(=O)c2ncc(C(C)(C)C)s2)n1	160379831	QXFFVOGYYBZQSL-UHFFFAOYSA-N	315.420	2.360	70	20	DEID	
Cc1cccc2ncnc(N3CCC[C@H]3CN3CCOCC3)c12	160403740	PDDQDGXOBOWPMX-HNNXBMFYSA-N	312.417	2.239	70	20	DEID	
CCC(N)(CC)CNC(=O)c1ccccc1OC[C@@H]1CCCO1	160545808	NIVYVSZJJSWJRJ-AWEZNQCLSA-N	320.433	2.492	70	20	DEID	
CN(C)C(=O)COc1ccccc1CN[C@H]1CCOC(C)(C)C1	160574390	LINQQOMLKLWEIF-HNNXBMFYSA-N	320.433	2.201	70	20	DEID	
CCC(CC)c1cc(C(=O)N[C@H](C)CN2CCOCC2)on1	160593363	HPOFLSFZSAQSRV-GFCCVEGCSA-N	309.410	2.029	70	20	DEID	
C[C@@H](O)CCN(C)C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1	160798795	SGUHKQFVKBUONO-BMFZPTHFSA-N	306.406	2.319	70	20	DEID	
Cn1ccc(CNC(=O)Nc2ccn(CC(F)(F)F)n2)c1	160833634	WSXDREZQCCNCJB-UHFFFAOYSA-N	301.272	2.106	70	20	DEID	
CN(CCNC(=O)CCC(=O)NC1CCCC1)c1ccccc1	160933480	LGORDRBXWRGVKO-UHFFFAOYSA-N	317.433	2.078	70	20	DEID	
Cc1nn(C)c(C)c1OCC(=O)Nc1cc(Cl)ccc1O	160949220	SOYBPVMLKFMMEB-UHFFFAOYSA-N	309.753	2.413	70	20	DEID	
Cc1nn(C)c(C)c1C(=O)C(=O)NCCc1cc2ccccc2[nH]1	159639066	RIKCOXJQGSMILC-UHFFFAOYSA-N	324.384	2.060	70	20	DEID	
CO[C@@H](CNC(=O)c1cnc2c(c1)ncn2C)c1ccccc1	159722329	HFRYEFJTYHWXEA-HNNXBMFYSA-N	310.357	2.086	70	20	DEID	
Cc1ccc(NC(=O)N(CCS(C)(=O)=O)C2CC2)cc1C	159739781	XOJVBYUIVJBHQU-UHFFFAOYSA-N	310.419	2.344	70	20	DEID	
CN(CC1(O)CCOCC1)C(=O)c1cc(Cl)ccc1F	161494802	HALGARKAWDVLRX-UHFFFAOYSA-N	301.745	2.093	70	20	DEID	
CCn1nccc1/C=C/C(=O)Nc1ccc(S(=O)(=O)F)cc1	185107474	ZZVCNWIYBNLTBK-VMPITWQZSA-N	323.349	2.213	70	20	DEID	
O=C(NCCc1ccccc1)c1ccc(S(=O)(=O)F)cc1	864241394	UJNKRIQLVXITAB-UHFFFAOYSA-N	307.346	2.317	70	20	DEID	
O=C(NC1Cc2ccccc2C1)c1ccc(S(=O)(=O)F)cc1	864240615	APPCYWMHNVYOKB-UHFFFAOYSA-N	319.357	2.242	70	20	DEID	
O=S(=O)(F)c1ccc(NC[C@@]23C[C@@H]2COC32CCC2)nc1	1551208198	HGRDDLPREKNUHY-MFKMUULPSA-N	312.366	2.111	70	20	DEID	
CSCc1nc2ccccc2n1CC(=O)NC[C@H](C)CCO	161002370	FYGQXPKDXSDIQE-GFCCVEGCSA-N	321.446	2.034	70	20	DEID	
C[C@H](Cn1ccnc1)NC(=O)N[C@H]1[C@H]2CCc3ccccc3[C@@H]21	161042314	NUUCLEBZPWOXLI-ZCPGHIKRSA-N	310.401	2.299	70	20	DEID	
CCN(Cc1ccccn1)[C@H](C)C(=O)Nc1c(C)nn(C)c1C	161127680	NCMFKEMNEMXGAS-CQSZACIVSA-N	315.421	2.281	70	20	DEID	
COc1ccc2nc(C3CC3)cc(C(=O)N3CC[C@H](O)C3)c2c1	160060604	DEELIVYAUDRIED-LBPRGKRZSA-N	312.369	2.328	70	20	DEID	
COCCOc1ccccc1NC(=O)N1CCOC2(CCC2)C1	160193114	ZVGUSWDBJBOBFB-UHFFFAOYSA-N	320.389	2.499	70	20	DEID	
C[C@@H](C(=O)Nc1cccc(-n2ccnn2)c1)C1CCOCC1	160199800	UOMBWSPOQJOMJT-GFCCVEGCSA-N	300.362	2.269	70	20	DEID	
CC(=O)Nc1ccc(S(=O)(=O)NCC2(C3CC3)CC2)cc1	160202243	ZTWMMQUNXZKORT-UHFFFAOYSA-N	308.403	2.114	70	20	DEID	
O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)C[C@@H]2CCCN2)C1	160392307	YTBCGLAFZWBHHN-ZBFHGGJFSA-N	318.392	2.389	70	20	DEID	
CCSCCN1CCN(C(=O)c2c(F)cccc2F)CC1	160408113	DUUSEYDNYWVFQW-UHFFFAOYSA-N	314.401	2.476	70	20	DEID	
COc1ccccc1[C@@H](NC(=O)NCC[C@H](C)O)c1ccco1	160569361	HUIKPKYEYPKXGA-BLLLJJGKSA-N	318.373	2.448	70	20	DEID	
CSc1ccc(C)c(C(=O)NCC2CCN(CCO)CC2)c1	160651843	JARFNIQNDXQNLG-UHFFFAOYSA-N	322.474	2.151	70	20	DEID	
COC[C@@H](O)CCNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3	160830858	PIZWBKNNPXLROF-ZDUSSCGKSA-N	316.401	2.174	70	20	DEID	
Cn1cc(C(=O)NC[C@@]2(C)CCCO2)c(-c2cccs2)n1	159384220	XYOPHJHEPDYANF-OAHLLOKOSA-N	305.403	2.448	70	20	DEID	
CN(CC(C)(C)CN1CCOCC1)C(=O)Cc1ccccc1F	159792184	KWGVLHJWPBRRAG-UHFFFAOYSA-N	322.424	2.185	70	20	DEID	
CN([C@H](CN)C1CC1)S(=O)(=O)c1cc(Cl)ccc1Cl	159953886	PEYIIOQHVLMRJA-LLVKDONJSA-N	323.245	2.351	70	20	DEID	
COCc1nc(C)c(C(=O)N(C)c2ccc(OC)nc2)s1	160441761	OEIZLKLRLFBOTQ-UHFFFAOYSA-N	307.375	2.278	70	20	DEID	
CN(C(=O)c1ccc(S(=O)(=O)F)cc1)c1nccs1	864240122	VEOZMKDQIQWPME-UHFFFAOYSA-N	300.336	2.078	70	20	DEID	
CN(Cc1ccncc1)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	161126539	HEQLLWGZKJVMOM-ZNMIVQPWSA-N	301.390	2.181	70	20	DEID	
CC[C@@H](C)[C@H](N)C(=O)NCCc1nc(C(F)(F)F)cs1	161205812	DYHJCVCXLDWQRN-XCBNKYQSSA-N	309.357	2.194	70	20	DEID	
C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H](C)Sc2ncnc3[nH]cnc23)C1	161340992	JNXWQTHFIOHFBJ-GMTAPVOTSA-N	319.434	2.338	70	20	DEID	
CCN1CCC(NC(=O)c2cc(F)cc(Cl)c2O)CC1	161399765	TZVAUFJIGKOJFB-UHFFFAOYSA-N	300.761	2.399	70	20	DEID	
CCn1nccc1CNc1ccc(OC2CCN(C)CC2)nc1	160064247	RWEHWENGDSQMKG-UHFFFAOYSA-N	315.421	2.383	70	20	DEID	
CCN1C[C@@H](C(=O)O[C@@H](C)c2cc(C)ccc2OC)CC1=O	160190066	ZQYZGELEVQCJKK-STQMWFEESA-N	305.374	2.476	70	20	DEID	
Cc1nc(C)c(C(=O)N2CCOC[C@@H]2[C@@H]2CCCCC2=O)s1	160471950	CAXQNZCZIXOYGD-QWHCGFSZSA-N	322.430	2.360	70	20	DEID	
CCN(CC(=O)Nc1cccc(OC)c1)Cc1ccnn1CC	160647884	QJKTWHOWIAEGSI-UHFFFAOYSA-N	316.405	2.372	70	20	DEID	
COCC[C@@H](C)NC(=O)Nc1ccc(-c2ncn(C)n2)cc1	160726277	SUTNJYLNZMXLEP-LLVKDONJSA-N	303.366	2.029	70	20	DEID	
CC[C@H]1CCC[C@H]1NC(=O)CCS(=O)(=O)C1CCCC1	159677561	RQQUUAZUURTTNI-GXTWGEPZSA-N	301.452	2.429	70	20	DEID	
COC(=O)c1csc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2C)c1	159758883	DDJREGBYHWQENY-KOLCDFICSA-N	324.402	2.168	70	20	DEID	
CC(C)C[C@H](C)Oc1cc(CNC(=O)N[C@@H](C)CCO)ccn1	159576144	NLDFOVWWMRIWJA-KBPBESRZSA-N	323.437	2.465	70	20	DEID	
CCOC(=O)CCc1ccc(NC(=O)N[C@H](C)COC)cc1	159595307	GQFHHWVEMOALCR-GFCCVEGCSA-N	308.378	2.339	70	20	DEID	
CC(C)CC(=O)COC(=O)c1ccc(S(=O)(=O)F)cc1	838093394	PHGFAEMEXKAFQS-UHFFFAOYSA-N	302.323	2.117	70	20	DEID	
CCN(CC(=O)Nc1ccc(F)c(F)c1)Cc1cnn(C)c1	161082842	JHXSOYMUQILBLE-UHFFFAOYSA-N	308.332	2.159	70	20	DEID	
CN(C)C(=O)C(=O)Nc1ccc2c(c1)ncn2-c1ccccc1	161083332	WRYQDJVWYUFMOE-UHFFFAOYSA-N	308.341	2.052	70	20	DEID	
Cc1ccc([C@@]2(C)NC(=O)N(Cc3nccs3)C2=O)cc1	161125444	ZNIKWIKLGYCUPH-OAHLLOKOSA-N	301.371	2.419	70	20	DEID	
O=C([C@@H]1COc2ccc(Cl)cc2C1)N1C[C@@H]2CCC[C@H](C1)N2	160082282	WXCRZWCIVZPOMT-AEGPPILISA-N	320.820	2.244	70	20	DEID	
C[C@H]1CC[C@H](NC(=O)N2CCN(Cc3ccccn3)CC2)CC1	160117452	DQHVKNYRGUNTKN-IYBDPMFKSA-N	316.449	2.488	70	20	DEID	
Cc1nc(CC(=O)NC[C@H](O)c2ccc(F)cc2)c(C)s1	160135843	ZVIOHSJWGBBCJV-AWEZNQCLSA-N	308.378	2.291	70	20	DEID	
CC[C@H](C)C(=O)N1CCC[C@H](C(=O)Nc2c(C)n[nH]c2C)C1	160370478	ZJZZCJYUNSCIET-GWCFXTLKSA-N	306.410	2.250	70	20	DEID	
O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)C[C@H]2CCCN2)C1	160392561	YTBCGLAFZWBHHN-GDBMZVCRSA-N	318.392	2.389	70	20	DEID	
Cc1noc(CCCC(=O)N(C)c2ccc3c(c2)OCO3)n1	160433471	IORAZXSVIMGCAK-UHFFFAOYSA-N	303.318	2.092	70	20	DEID	
CCC(N)(CC)CNC(=O)c1c[nH]nc1-c1ccccc1F	160502665	TZTKVBXIUAKPIR-UHFFFAOYSA-N	304.369	2.463	70	20	DEID	
O=C(N[C@@H]1CCO[C@H](C2CC2)C1)c1cnc(C(F)(F)F)nc1	160579919	XVQQLXNLAYRZLG-MNOVXSKESA-N	315.295	2.183	70	20	DEID	
CC(C)S(=O)(=O)CCCN(C)CCOc1ccc(F)cc1	160590308	CZEPAQMKVJWVJP-UHFFFAOYSA-N	317.426	2.350	70	20	DEID	
CCCCNc1ccccc1C(=O)N[C@H](C)[C@@H]1CN(C)CCO1	160628204	XIILJNFGIJPZFZ-PBHICJAKSA-N	319.449	2.348	70	20	DEID	
COCCCn1ccc(NC(=O)C[C@H](C)c2ccncc2)n1	160638043	XVYOJLNGXWAOLT-ZDUSSCGKSA-N	302.378	2.447	70	20	DEID	
Cn1cc(CCNC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)cn1	160927603	QVANYPHTKVITIK-OLZOCXBDSA-N	305.328	2.161	70	20	DEID	
CCCCN1CCc2ccc(NC(=O)[C@@H]3CCC(=O)N3)cc21	160974011	LQMNCSMDTJVFES-AWEZNQCLSA-N	301.390	2.066	70	20	DEID	
CC(C)N(CCN(C)C)C(=O)NC1CCN(C2CCCC2)CC1	159441486	PYBXQFHZXMDBSO-UHFFFAOYSA-N	324.513	2.375	70	20	DEID	
Cc1nccc(NC(=O)NCc2ccc(C(N)=O)o2)c1Cl	159363730	GUBUHVFFSYGNPW-UHFFFAOYSA-N	308.725	2.057	70	20	DEID	
O=C(NC[C@H]1Cc2ccccc2O1)c1cccc(-c2ncn[nH]2)c1	159994176	QDAIQOYCHJTADV-OAHLLOKOSA-N	320.352	2.205	70	20	DEID	
CN([C@@H](CN)C1CC1)S(=O)(=O)c1cccc(Cl)c1Cl	159944393	GAEGKFSTCQWMCI-JTQLQIEISA-N	323.245	2.351	70	20	DEID	
CC[C@H](C)OCC(=O)Nc1ccc(F)c(CS(=O)(=O)F)c1	876318710	IWCKXUCXGBIQHS-VIFPVBQESA-N	321.345	2.379	70	20	DEID	
Cc1ccsc1CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1121032578	TYJVYWKGVUTVGF-UHFFFAOYSA-N	316.379	2.015	70	20	DEID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N1CCSC[C@@H]1C	1337168139	HVSOOTXQKAHREI-JTQLQIEISA-N	317.407	2.231	70	20	DEID	
CC(=O)c1cccc(OCCCC(=O)NC[C@@H](C)CCO)c1	161007631	FZYXIKVOLAXFRB-ZDUSSCGKSA-N	307.390	2.183	70	20	DEID	
COc1ccc(C(F)(F)C(=O)N[C@H](CO)CC(C)C)cc1	161107047	WFMWYDOXDXAXBS-LBPRGKRZSA-N	301.333	2.310	70	20	DEID	
CC(C)OCCS(=O)(=O)Nc1cccc(OCCF)c1	161189392	BMRDIYVFMVUTOM-UHFFFAOYSA-N	305.371	2.202	70	20	DEID	
COc1ccc(OCCNC2CCC(NC(C)=O)CC2)cc1	161238807	JCZBXQFVRDFBBS-UHFFFAOYSA-N	306.406	2.111	70	20	DEID	
CN(c1ccccc1NC(=O)Cc1cccs1)S(C)(=O)=O	161477759	PGTZDVKUFPDXAH-UHFFFAOYSA-N	324.427	2.325	70	20	DEID	
CC(C)c1nc2c(n1C)CCN(Cc1nsc(N(C)C)n1)C2	160035379	CZVJCDJLTGYUNU-UHFFFAOYSA-N	320.466	2.019	70	20	DEID	
CCc1n[nH]c(=O)c(CNC(=O)c2cc3ccccn3c2)c1CC	160142900	NDGNQADNZVPALO-UHFFFAOYSA-N	324.384	2.077	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)COc1ccc(Cl)c(C)c1	160145503	YVCNCKFBZGYBRZ-NSHDSACASA-N	313.781	2.485	70	20	DEID	
C[C@H]1CN(Cc2ccccc2)C[C@@H]1Nc1ccncc1C(N)=O	160218357	FMYOOLAOJVBXSI-GUYCJALGSA-N	310.401	2.113	70	20	DEID	
CSc1nc(C(=O)N[C@@H](CCO)C(C)C)c2ccccn12	160613648	JMDJFMUIIOBUGO-NSHDSACASA-N	307.419	2.193	70	20	DEID	
CCCCNc1ccccc1C(=O)N[C@@H](C)[C@H]1CN(C)CCO1	160628311	XIILJNFGIJPZFZ-WMLDXEAASA-N	319.449	2.348	70	20	DEID	
C[C@H](C(=O)NC(C)(C)C(=O)NCC1CCCC1)C1CCOCC1	160657715	KJSRRHWROBMEGC-ZDUSSCGKSA-N	324.465	2.250	70	20	DEID	
O=C(c1ccccc1O)N1CCC(N2CCCCC2=O)CC1	159456872	WRFPZMOMCNZMIM-UHFFFAOYSA-N	302.374	2.009	70	20	DEID	
CCN1CCC(NC(=O)N2CCC(CCCN(C)C)CC2)CC1	159880183	XPEIZQGVEYPHJP-UHFFFAOYSA-N	324.513	2.234	70	20	DEID	
CCOC(=O)CN(Cc1n[nH]c(CC)n1)[C@H](C)c1ccccc1	159517116	CENPENLWFDRKSK-CYBMUJFWSA-N	316.405	2.493	70	20	DEID	
CC(=O)N1CC[C@H](NC(=O)Cc2cc(Cl)ccc2Cl)C1	159524689	JNEWNOFKRMAUJM-LBPRGKRZSA-N	315.200	2.273	70	20	DEID	
Cc1sc(=O)n(CC(=O)N[C@@H]2CCOC3(CCCC3)C2)c1C	159745694	UXUFFHBGFUSGHV-CYBMUJFWSA-N	324.446	2.135	70	20	DEID	
Cc1cnn([C@@H]2CCCN(C(=O)NCCc3cscn3)C2)c1	159374912	OADSIPFFQCNQBV-CQSZACIVSA-N	319.434	2.237	70	20	DEID	
C[C@@H]1CC(=O)CC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)F)cc1	185107032	YHMVXWDVZBIOAF-RNCFNFMXSA-N	313.350	2.289	70	20	DEID	
C[C@@H](Cc1cccs1)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1263716570	GTBYIUPAVYBYBL-QMMMGPOBSA-N	316.379	2.095	70	20	DEID	
Cc1ccc2c(c1)[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)CC2	1347340071	LLLFOHYMGAYUFL-CYBMUJFWSA-N	322.361	2.399	70	20	DEID	
c1cc2c(s1)CCN(CCNC1CCC3(CC1)OCCO3)C2	161346310	CNWSFPBHBJMOJU-UHFFFAOYSA-N	322.474	2.382	70	20	DEID	
Cc1cc(C(=O)N2CSC[C@@H]2C(=O)N(C)C(C)C)oc1C	160194641	JCSXOMXSJCEPRY-GFCCVEGCSA-N	310.419	2.278	70	20	DEID	
COC[C@@H]1CCCN(C(=O)c2cc3c([nH]c2=O)CCCCC3)C1	160202071	GZTITLQIRJGNOQ-CYBMUJFWSA-N	318.417	2.142	70	20	DEID	
C[C@H](NC(=O)c1ccc(N(C)C)cc1F)C(=O)OC1CCCC1	160364274	URWFIRRKDJTLEF-NSHDSACASA-N	322.380	2.496	70	20	DEID	
Cc1cc2c(N3CCC[C@H]3CN3CCOCC3)ncnc2s1	160385622	DVFNHRVATKLLGU-ZDUSSCGKSA-N	318.446	2.301	70	20	DEID	
Cc1ccccc1OCCCNC(=O)c1cnc2c(c1)ncn2C	160402181	XJMGBAPWTYZCMN-UHFFFAOYSA-N	324.384	2.476	70	20	DEID	
Cn1cnnc1S[C@@H]1CCCN(c2ccccc2F)C1=O	160411225	HLYSKTOYFNDGOD-GFCCVEGCSA-N	306.366	2.242	70	20	DEID	
Cc1nc2n(n1)C[C@@H](NC1CCN(c3ccccc3)CC1)CC2	160457542	VPZIFJBJTQKFNU-INIZCTEOSA-N	311.433	2.160	70	20	DEID	
CNC(=O)CCCN(C)C(=O)Nc1ccc2ncsc2c1	160708463	HNBPAYLVKUBWQC-UHFFFAOYSA-N	306.391	2.286	70	20	DEID	
CC(C)(C)[C@H](NC(=O)C1(NC(N)=O)CC1)c1ccc(F)cc1	160730504	KKSBJLAUXQNWSP-GFCCVEGCSA-N	307.369	2.230	70	20	DEID	
CC(C)CSCCCNC(=O)c1ccc(-n2cncn2)nc1	160730565	JIFVREQUKSEOHB-UHFFFAOYSA-N	319.434	2.171	70	20	DEID	
CCCN(CCO)C(=O)N[C@H]1CCO[C@H](c2ccccc2)C1	160775609	GKGHVYZKBBEZGY-HOTGVXAUSA-N	306.406	2.321	70	20	DEID	
COCC1CCN(C(=O)N[C@H]2CCN(C3CCCC3)C2)CC1	160809190	UCWAJELQTUFCET-HNNXBMFYSA-N	309.454	2.071	70	20	DEID	
C[C@@H](NC(=O)c1cccc2[nH]cnc12)C(=O)Nc1ccccc1	159502235	VNIFLBZXQAPHLP-LLVKDONJSA-N	308.341	2.320	70	20	DEID	
C[C@@H]1CC(=O)CC[C@@H]1C(=O)N(C)CC(=O)Nc1ccccc1	159920931	ZGQMNTAPOSABTB-DOMZBBRYSA-N	302.374	2.089	70	20	DEID	
Cc1cccc([C@@H](C)C(=O)NCCCCN2CCN(C)CC2)c1	159780761	VRQGGHFGBHZOOV-QGZVFWFLSA-N	317.477	2.242	70	20	DEID	
CSC1(CNC(=O)c2ccc(S(=O)(=O)F)cc2C)CC1	1338896957	JBTVGXKDFLZIAX-UHFFFAOYSA-N	317.407	2.279	70	20	DEID	
C[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)CNC(=O)C(C)(C)C	161281489	WVXGNHWEFCVNMV-NSHDSACASA-N	322.380	2.066	70	20	DEID	
CCN(c1ccc(C(=O)N2CCCC[C@@H]2C(N)=O)cc1)C(C)C	160070996	BUIDMTZSLLKLCK-MRXNPFEDSA-N	317.433	2.401	70	20	DEID	
Cc1ccc(C(=O)CCN2CCO[C@@H]([C@@H]3CCCO3)C2)cc1	160128242	CBDXCGXNZGZPAK-ZWKOTPCHSA-N	303.402	2.448	70	20	DEID	
COCc1nc(C(=O)N(C)c2ccc3c(c2)OCO3)cs1	160312580	YEEAESISPFLNLA-UHFFFAOYSA-N	306.343	2.295	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)CSc1nc2ccccc2o1	160332565	AJWYMQXWFMDLOF-SNVBAGLBSA-N	322.386	2.378	70	20	DEID	
CCC(CC)CNC(=O)N1CCC(C(=O)N2CCCC2)CC1	160538103	SAOVMMDMSJQNPZ-UHFFFAOYSA-N	309.454	2.467	70	20	DEID	
CCO[C@@H]1C[C@H](N(C)C(=O)NC2CCN(CC)CC2)C12CCC2	160753016	RCCSWWVHLYRUIL-JKSUJKDBSA-N	323.481	2.460	70	20	DEID	
CCN(CCNC(=O)c1cnn(C2CCOCC2)c1C)C(C)C	160811629	YMYWVPIUVAWHRV-UHFFFAOYSA-N	322.453	2.003	70	20	DEID	
C[C@@H](CCO)CNC(=O)CCCc1nnc(-c2ccccc2)o1	160999977	XZCUWLJPXUEHQG-ZDUSSCGKSA-N	317.389	2.194	70	20	DEID	
Cn1cc(N2CCC[C@H](N3CC[C@H](c4ccccc4)C3)C2=O)cn1	159810745	WVZHUFJDVDBUOH-WMZOPIPTSA-N	324.428	2.405	70	20	DEID	
CCCN(CCC)CCCNC(=O)N1CCCN(CC)CC1	159814454	ZVCOGHSHATVLGU-UHFFFAOYSA-N	312.502	2.236	70	20	DEID	
C[S@@](=O)c1ccc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1	159649698	GXSOZDYJUMBCKE-YJXLLHPSSA-N	305.443	2.471	70	20	DEID	
CC(=O)N1CC[C@H](NC(=O)c2cncc(-c3ccc(C)cc3)c2)C1	159568358	UDDAONOJBMPGBU-SFHVURJKSA-N	323.396	2.408	70	20	DEID	
C[C@@H]1CC(=O)CC[C@H]1C(=O)NCCN1CCc2ccccc2C1	159761041	DPEIOQGJXSDRBL-RDTXWAMCSA-N	314.429	2.166	70	20	DEID	
COc1cc(F)c([C@H](C)NC(=O)[C@@H]2CCCNC2)cc1OC	159964162	RGKVKCKZIWRSCA-WDEREUQCSA-N	310.369	2.020	70	20	DEID	
CNC(=O)Cc1ccc(NC(=O)N2CCS[C@H](C)[C@@H]2C)cc1	159384628	WLGUMINISGOVHM-NWDGAFQWSA-N	321.446	2.333	70	20	DEID	
O=S(=O)(NCC1(CO)CCCC1)c1ccc(F)c(Cl)c1	160342735	NINRYBGKYYPHHM-UHFFFAOYSA-N	321.801	2.310	70	20	DEID	
CC(C)(C)OC(=O)NCCNC(=O)Nc1cc(Cl)ccn1	217263875	WOHSILMLMHPFBV-UHFFFAOYSA-N	314.773	2.381	70	20	DEID	
CO[C@@H](C(=O)Nc1ccc(C)c(S(=O)(=O)F)c1)C1CC1	857673581	DEWKJNVKOJOZOI-GFCCVEGCSA-N	301.339	2.017	70	20	DEID	
COc1cc(C)c(S(=O)(=O)NC2(C)CCOCC2)cc1C	161070011	JBOAGKSEVGUFKG-UHFFFAOYSA-N	313.419	2.159	70	20	DEID	
CCOCCO[C@H]1CCN(C(=O)C[C@H](C)c2c(C)noc2C)C1	161261971	AMIDSOMLCZJPNA-WFASDCNBSA-N	324.421	2.439	70	20	DEID	
CC[C@H](C(=O)N[C@@H]1CCN(C(C)C)C1=O)c1ccc(F)cc1	160040145	UUMGKJBZNNRXOQ-LSDHHAIUSA-N	306.381	2.445	70	20	DEID	
NC(=O)[C@H]1CCCCC[C@@H]1NC(=O)Cc1ccc(O)cc1Cl	160385775	WORFNEFFZXEDBA-JSGCOSHPSA-N	324.808	2.139	70	20	DEID	
NC(=O)c1ccc(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)s1	160461482	JCGFSCYJXGHYAP-LLVKDONJSA-N	322.430	2.459	70	20	DEID	
CCc1sc(C(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)cc1C	160575095	KSYDZJSHDUOMMR-NEPJUHHUSA-N	306.431	2.360	70	20	DEID	
CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)N(C)Cc2cccn2C)C1	160894073	KMUWRMPSYKSIKI-CABCVRRESA-N	319.449	2.268	70	20	DEID	
CC(C)c1cc(=O)n(CC(=O)N[C@H]2CCC[C@@H](C)[C@H]2C)cn1	160901075	JRVINFYLECBLCI-MCIONIFRSA-N	305.422	2.308	70	20	DEID	
COC[C@@H](NC(=O)Nc1cc(F)c(OC)cc1OC)C1CC1	160903623	LLAMKCOKCOIQLZ-GFCCVEGCSA-N	312.341	2.389	70	20	DEID	
CCN(CC(C)(C)O)C(=O)NC[C@@H]1CCCCN1CC(C)C	160909896	FLXOJWUCNNEJGS-HNNXBMFYSA-N	313.486	2.299	70	20	DEID	
O=C(CN1CC[C@@H]2CCCC[C@@H]21)NC(=O)NCc1cccs1	159601974	JBBSJWNWOVNYIF-JSGCOSHPSA-N	321.446	2.338	70	20	DEID	
Cc1cccc([C@H](C)C(=O)N2CCN(c3cnccn3)CC2)c1	159569660	ZZWRIPWPYABNRP-HNNXBMFYSA-N	310.401	2.237	70	20	DEID	
CC(C)(C)C(=O)COC(=O)c1ccc(S(=O)(=O)F)cc1	838088384	UQXIDNOLLYGXLY-UHFFFAOYSA-N	302.323	2.117	70	20	DEID	
CN(C)CCSc1ccc([N+](=O)[O-])cc1CS(=O)(=O)F	882076424	IHATZZLNOYKDIU-UHFFFAOYSA-N	322.383	2.048	70	20	DEID	
O=C(CCc1ccc(S(=O)(=O)F)cc1)N1CCC[C@@H](F)C1	1262801770	FMKIQCVHMCDORD-GFCCVEGCSA-N	317.357	2.238	70	20	DEID	
CCN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CCCCC1	1345450604	BACASXQAPPQQHI-UHFFFAOYSA-N	302.371	2.468	70	20	DEID	
CNC[C@H]1CCCN1C(=O)Cc1ccc(OCC(C)C)cc1	161233188	ODRPUCFOJMDQFO-MRXNPFEDSA-N	304.434	2.474	70	20	DEID	
CC(C)(C)[C@@H](CCO)NC(=O)NCC(C)(C)N1CCCCC1	161246908	MVUJFPPFAUAULP-CQSZACIVSA-N	313.486	2.347	70	20	DEID	
CCc1cccc(NC(=O)Cn2c(-c3cccnc3)noc2=O)c1	161319091	FFSXENJGMKJIEK-UHFFFAOYSA-N	324.340	2.099	70	20	DEID	
CN(C)C(=O)[C@H]1CSCN1C(=O)c1ccc(F)c(Cl)c1	160200341	DNQDKHSGZZOWBZ-LLVKDONJSA-N	316.785	2.082	70	20	DEID	
C[C@@H]1CCCN(CCNC(=O)N(CCN(C)C)C2CCCC2)C1	160275523	XHJWZLJSJIXAQD-MRXNPFEDSA-N	324.513	2.234	70	20	DEID	
CC[C@@H](C)NC[C@H](c1ccc(OC)c(OC)c1)N1CCOCC1	160352613	NCAACFOCJIXKLD-GDBMZVCRSA-N	322.449	2.465	70	20	DEID	
CC(C)C(=O)N(C)Cc1ccc(C(=O)N2CCSCC2)cc1	160821224	LNGWTFQFXYLCCA-UHFFFAOYSA-N	320.458	2.490	70	20	DEID	
CC(C)(CO)[C@@H](CNC(=O)NC[C@H]1CCCO1)c1ccccc1	160969540	XYMXLQCIPWWLEV-CVEARBPZSA-N	320.433	2.267	70	20	DEID	
CN([C@H]1CCSC1)S(=O)(=O)c1ccc(F)c(F)c1F	159434754	DBQJLIZRTVJVHQ-ZETCQYMHSA-N	311.350	2.230	70	20	DEID	
CCOC(=O)N1CCC(NC(=O)N2CC[C@H](C)[C@@H](C)C2)CC1	159635157	NEEMQSGAIFQACM-STQMWFEESA-N	311.426	2.295	70	20	DEID	
O=C(COC[C@H]1CCCO1)NCCc1cc2ccccc2[nH]1	159660011	PXDHGMKQEZHDFK-OAHLLOKOSA-N	302.374	2.022	70	20	DEID	
CC(=O)N1CC[C@@H](NC(=O)c2ccc(OCCC(C)C)cc2)C1	159672154	OONNLDBOGIQPSF-MRXNPFEDSA-N	318.417	2.462	70	20	DEID	
CCC(CC)(CNCc1csc(NC(C)=O)n1)C(=O)OC	159680057	VNUITVSQKAEGFT-UHFFFAOYSA-N	313.423	2.171	70	20	DEID	
NC(=O)c1ccc(C(=O)N[C@@H]2CCOC3(CCCC3)C2)s1	159514759	QHLJKCYQDCNSKM-SNVBAGLBSA-N	308.403	2.069	70	20	DEID	
COC(=O)c1cc(CN(C)C2(C(=O)OC)CCCC2)oc1C	159376581	BQKZBWPLQXTEJI-UHFFFAOYSA-N	309.362	2.292	70	20	DEID	
CC[C@@H](C)OCC(=O)NCc1ccc(CN2CCCC2=O)cc1	159973209	LKUYXMGAGHKTMP-CQSZACIVSA-N	318.417	2.240	70	20	DEID	
O=C(NCCSCCCO)c1cc(Br)cs1	161503230	AROVUYQIXPABIO-UHFFFAOYSA-N	324.265	2.356	70	20	DEID	
C[C@@H]1CCCC[C@H]1N(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1120785375	YGAXMUNIYUYZJX-BXKDBHETSA-N	302.371	2.324	70	20	DEID	
CSCC(C)(C)NC(=O)c1cccc(S(=O)(=O)F)c1	1337668292	CCKKJPDJBQMWTE-UHFFFAOYSA-N	305.396	2.216	70	20	DEID	
CC[C@@H](C(=O)N[C@H]1CCOC2(CCCCC2)C1)N1CCCC1=O	161052294	GYBMHGRRTVAWKJ-GJZGRUSLSA-N	322.449	2.386	70	20	DEID	
CC[C@@H]1CCCCN1C(=O)[C@@H](C)N(CC)Cc1cnn(C)c1	161071216	MYVSLLHZQPZQJA-GDBMZVCRSA-N	306.454	2.422	70	20	DEID	
CSc1ccccc1NC(=O)C(=O)N[C@H](C)C1CCOCC1	161113061	IBFBDPOGNWCAGW-LLVKDONJSA-N	322.430	2.278	70	20	DEID	
CCNCC1CCN(C(=O)c2cccc(-n3ccnc3)c2)CC1	161127630	SZXQIXUCMATOJW-UHFFFAOYSA-N	312.417	2.334	70	20	DEID	
COCCCOc1ccc(C(=O)NCC2(C3CC3)CC2)cn1	160042775	IIYQLIDENWAMHC-UHFFFAOYSA-N	304.390	2.417	70	20	DEID	
CN(Cc1ccc(O)cc1)C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1	160567723	MKVUROLFXJOYIF-GDBMZVCRSA-N	304.390	2.491	70	20	DEID	
CC1(C)CCC(C(=O)N2CC[C@H](CN3CCOCC3)C2)CC1	160709068	XCFROOAKFJPNFP-OAHLLOKOSA-N	308.466	2.384	70	20	DEID	
O=C(NCCc1cn2c(n1)CCCC2)N1CCC2(CCC2)C1	160734894	IJPNFYOMCNFEII-UHFFFAOYSA-N	302.422	2.348	70	20	DEID	
CC(C)c1cc(=O)n(CC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cn1	160901350	JRVINFYLECBLCI-MGPQQGTHSA-N	305.422	2.308	70	20	DEID	
N[C@@H](CCC(=O)NCCCOC1CCOCC1)c1ccccc1	160940062	GLDJSGVVEKXTLA-KRWDZBQOSA-N	320.433	2.169	70	20	DEID	
CCN(CC)CCN(CCOC)Cc1c(C)nc2ccccn12	160952566	ZGICWZJHQGGMSY-UHFFFAOYSA-N	318.465	2.433	70	20	DEID	
CC[C@@H]1CN(C(=O)Nc2ccc(C(C)(C)C(N)=O)cc2)CCO1	159901590	JXDRAKAGVXEHTF-CQSZACIVSA-N	319.405	2.092	70	20	DEID	
CSCc1cccc(NC(=O)N[C@@H](C)[C@H]2CN(C)CCO2)c1	159589501	QOWFMTAEMLSQGY-SWLSCSKDSA-N	323.462	2.390	70	20	DEID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)c1ccnc(C2CC2)n1	460087217	AFBLJIOIPMXKQK-UHFFFAOYSA-N	321.333	2.265	70	20	DEID	
Cc1ccc(NC(=O)C[C@@H]2CCCO2)cc1S(=O)(=O)F	857675259	IEWZUTZZOFTGBO-NSHDSACASA-N	301.339	2.161	70	20	DEID	
O=C(NCCc1cccs1)c1cccc(S(=O)(=O)F)c1	1515237164	FUZQSOSAZQXIPJ-UHFFFAOYSA-N	313.375	2.379	70	20	DEID	
COc1ccc(OCCNC(=O)N[C@H]2CCOC(C)(C)C2)cc1	161076755	MRLDYMCHULRJIP-ZDUSSCGKSA-N	322.405	2.331	70	20	DEID	
COc1ccc(OCCNC(=O)N[C@H](CCO)C(C)(C)C)cc1	161504905	RUQKXZYBNSTKPM-OAHLLOKOSA-N	324.421	2.170	70	20	DEID	
NC(=O)N[C@H](CC(=O)NCC1(C2CC2)CC1)c1cccs1	160062237	XCDQVPDXEJEJAH-LLVKDONJSA-N	307.419	2.154	70	20	DEID	
CCCC(=O)N[C@@H]1CCCN(C(=O)Cc2nc(C)sc2C)C1	160146766	OPXKLHQXPZKQGL-CYBMUJFWSA-N	323.462	2.210	70	20	DEID	
C[C@H]1C[C@@H]1c1ccc(CN(C(=O)C2(NC(N)=O)CC2)C2CC2)o1	160205890	KUEQDNMODLGLNF-GWCFXTLKSA-N	317.389	2.095	70	20	DEID	
Cc1ccc([C@H](O)CNC(=O)Cc2nc(C)sc2C)cc1	160224539	CRCBGNVKRVLMQR-OAHLLOKOSA-N	304.415	2.461	70	20	DEID	
Cc1nc(CC(=O)NC[C@H](O)c2cccc(F)c2)c(C)s1	160333526	SEDHZPXXLYFEJF-AWEZNQCLSA-N	308.378	2.291	70	20	DEID	
COc1cc(NC(=O)[C@@]2(C(F)(F)F)CCNC2)ccc1F	160343621	HUTAUHOVKDQFLC-GFCCVEGCSA-N	306.259	2.315	70	20	DEID	
CCOC(=O)NCCCC(=O)N[C@H](CC)c1c(C)noc1C	160427176	YAWUDWPYJOXELD-GFCCVEGCSA-N	311.382	2.385	70	20	DEID	
O=C(Nc1ccn(CC(F)(F)F)n1)N[C@@H]1CCCSC1	160451723	NYRMBILZMGGKQS-MRVPVSSYSA-N	308.329	2.463	70	20	DEID	
CN(CCNC(=O)C[C@H]1CSCCS1)Cc1ccccc1	160677430	QJHSLBVIGXMWAA-HNNXBMFYSA-N	324.515	2.473	70	20	DEID	
O=C(NCCCn1ccnc1)NCC1(c2cccc(F)c2)CC1	160796596	LRRFWXJXVYEUAV-UHFFFAOYSA-N	316.380	2.443	70	20	DEID	
Cn1c(C(=O)Nc2ccc(N3CCCCC3)cn2)cccc1=O	160835284	NCZHGVBRBXNLOI-UHFFFAOYSA-N	312.373	2.023	70	20	DEID	
O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)N1CCC[C@H]1CO	160894550	RCIIPSXXBVVXOQ-HRCADAONSA-N	304.390	2.073	70	20	DEID	
C[C@@H]1CSc2ccccc2N(C(=O)CCS(C)(=O)=O)C1	159628836	KZHWPGFIQDBHKO-NSHDSACASA-N	313.444	2.196	70	20	DEID	
CC(C)[C@@H]1CN(C)CCN1C(=O)NC[C@@H](C)Oc1ccccc1	159938814	DBTMWZSHLZRFBR-WBVHZDCISA-N	319.449	2.436	70	20	DEID	
COCCOc1cccc(CC(=O)Nc2nnc(C)s2)c1	159740818	ZOHWKJAOJFERSP-UHFFFAOYSA-N	307.375	2.053	70	20	DEID	
CCCCn1ncc(NC(=O)N[C@@H](C)[C@H](CO)SC)c1C	159950101	WTAJIZPSWMZTLI-GWCFXTLKSA-N	314.455	2.226	70	20	DEID	
NC(=O)CC1CCN(Cc2c[nH]nc2-c2ccc(F)cc2)CC1	159790905	RTCIFZHHDNJBFC-UHFFFAOYSA-N	316.380	2.303	70	20	DEID	
N[C@H](C(=O)N1CCN(CCc2ccccc2)CC1)c1ccccc1	217361676	OQXSLSGRTZWFRD-IBGZPJMESA-N	323.440	2.073	70	20	DEID	
C#CCN(C(=O)c1cc(S(=O)(=O)F)ccc1Cl)C(C)C	1337678406	DDNHMJLZRZNKBR-UHFFFAOYSA-N	317.769	2.482	70	20	DEID	
O=S(=O)(F)c1ccc(N[C@@H](C2CC2)[C@H]2CCCCO2)nc1	1550628507	ITTAMLTWMGNVIF-OCCSQVGLSA-N	314.382	2.499	70	20	DEID	
COC[C@@H](O)CCNC(=O)[C@H](C)Oc1cc(C(C)C)ccc1C	161090121	NTIOMVMROSYSPZ-HOCLYGCPSA-N	323.433	2.399	70	20	DEID	
CCOCCC1(CNC(=O)c2cc(C(N)=O)cs2)CCC1	161330554	URYDMHUHLIDWIQ-UHFFFAOYSA-N	310.419	2.174	70	20	DEID	
CC(C)[C@@H]1CCCN(C(=O)N[C@@H]2CCc3ncnn3C2)CC1	161352127	PFZRPZLIDNLARP-ZIAGYGMSSA-N	305.426	2.061	70	20	DEID	
Cc1cccc2c(CCC(=O)NCCC(=O)NC(C)C)c[nH]c12	160028960	JZKIFWKDUNEHMC-UHFFFAOYSA-N	315.417	2.440	70	20	DEID	
COCCN(Cc1ccc(C)o1)C(=O)N[C@@H](C)Cn1ccnc1	160264418	IDWDBABLUBCRLL-ZDUSSCGKSA-N	320.393	2.031	70	20	DEID	
CC(=O)N(C)C1CCN(C(=O)c2cnc(C(C)C)s2)CC1	160452545	YOGPMOXEUBYSOQ-UHFFFAOYSA-N	309.435	2.349	70	20	DEID	
COC[C@@H](NCc1ccccc1CN1CCOCC1)C(C)C	160486558	OPFXFUPQECQPJH-GOSISDBHSA-N	306.450	2.279	70	20	DEID	
C[C@H]1CC(=O)CC[C@H]1C(=O)NCc1cccc2c1OCCCO2	160591135	PWWXXMWLNXNFOS-SWLSCSKDSA-N	317.385	2.469	70	20	DEID	
CC(C)CN1CCC[C@@H]1CNC(=O)c1n[nH]c2ccccc12	160606947	BOHYRDRMTJSHQC-CYBMUJFWSA-N	300.406	2.413	70	20	DEID	
CN(Cc1nc2ccsc2c(=O)[nH]1)c1nc(C2CC2)ns1	160632835	YNRSOVIPVQRNCX-UHFFFAOYSA-N	319.415	2.350	70	20	DEID	
CC[C@H]1COCCN1C(=O)Nc1ccn(CC(F)(F)F)n1	160747555	ZNHQIXFKMJENEM-VIFPVBQESA-N	306.288	2.088	70	20	DEID	
C[C@@H](CC(=O)NCc1nc(-c2ccncc2)no1)c1ccncc1	160816165	XCEFCZSZWITNSM-LBPRGKRZSA-N	323.356	2.337	70	20	DEID	
CC(=O)N1CC[C@H](NC(=O)CCc2c[nH]c3c(C)cccc23)C1	159846676	NVCKCRCUHKAYAU-HNNXBMFYSA-N	313.401	2.146	70	20	DEID	
Cc1cc(N[C@H]2CCN(c3c(F)cccc3F)C2=O)nn1C	159654107	IZRVVKZAGIIGRB-LBPRGKRZSA-N	306.316	2.224	70	20	DEID	
CCC[C@H]1C(=O)NCCN1C(=O)Nc1ccnc(C)c1Cl	159675494	HGMZQBRMLZOBNT-NSHDSACASA-N	310.785	2.176	70	20	DEID	
CCCOC(=O)CCNC(=O)NCc1ccc(C)cc1OC	159512295	IMZAAWBVVQNDOI-UHFFFAOYSA-N	308.378	2.146	70	20	DEID	
C[C@@H]1CSc2ccccc2N(C(=O)[C@@H](C)S(C)(=O)=O)C1	159533429	JAAQAPGGBRMQTL-WDEREUQCSA-N	313.444	2.195	70	20	DEID	
Cc1ccccc1CCNC(=O)[C@@H](C)Nc1cc(C)n(C)n1	159566198	OOXHIUIMVBOPED-CQSZACIVSA-N	300.406	2.196	70	20	DEID	
CN([C@H](CN)C1CC1)S(=O)(=O)c1c(Cl)cccc1Cl	159941790	YMNXEEDVMUTXDM-LLVKDONJSA-N	323.245	2.351	70	20	DEID	
Cc1noc(C)c1N(C)C(=O)c1ccc(S(=O)(=O)F)cc1	864239226	DBBGVGVUQURFKA-UHFFFAOYSA-N	312.322	2.226	70	20	DEID	
O=C(OCC[C@H]1CCCC1=O)c1cccc(S(=O)(=O)F)c1	1119614719	ITMYDZHNJBAOAU-SNVBAGLBSA-N	314.334	2.261	70	20	DEID	
CCSCCCNC(=O)Cc1ccc(S(=O)(=O)F)cc1	1121211150	MUQCCVBTNMXURL-UHFFFAOYSA-N	319.423	2.147	70	20	DEID	
O=C(Nc1cnc2ccccc2c1)c1cc(S(=O)(=O)F)c[nH]1	1339473082	ZOFZFRAOSJVKJE-UHFFFAOYSA-N	319.317	2.473	70	20	DEID	
O=C(Cc1ccc(S(=O)(=O)F)cc1)N1CC[C@@H](C2CC2)C1	1517880276	XEIXJAHMXMPTPX-CYBMUJFWSA-N	311.378	2.146	70	20	DEID	
O=S(=O)(F)c1ccc(N[C@@H]2CCCN3CCCC[C@H]23)nc1	1550627340	FDSSMQONDMFKNR-CHWSQXEVSA-N	313.398	2.169	70	20	DEID	
CNS(=O)(=O)c1cc(-c2nc(C3CCCCC3)no2)co1	161451338	PSYVHMHTHGLDJZ-UHFFFAOYSA-N	311.363	2.285	70	20	DEID	
COC[C@H](O)CCNC(=O)c1cccc(Oc2nccs2)c1	161476374	GKBAMJDSARNJOG-GFCCVEGCSA-N	322.386	2.063	70	20	DEID	
Cc1conc1NC(=O)C(=O)N[C@@H](C)c1ccccc1Cl	160017118	DRJCVDVWKGTDSV-VIFPVBQESA-N	307.737	2.452	70	20	DEID	
CC(C)NC(=O)CCNC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F	160027743	LWIWFNXXGJQWSN-NEPJUHHUSA-N	310.344	2.099	70	20	DEID	
COc1cccc2c1CC[C@H]2NC(=O)[C@H](C)NC(=O)C(C)(C)C	160058056	QMKSXHKDWRKIPT-SMDDNHRTSA-N	318.417	2.350	70	20	DEID	
NCCCNC(=O)CCC(=O)c1cc(Cl)sc1Cl	160177808	PFOYXMZUCIAAPS-UHFFFAOYSA-N	309.218	2.483	70	20	DEID	
CC(C)OC(=O)CCCNc1ccc2nnc(C(F)F)n2n1	160250145	UPTJUJNXNWFPMS-UHFFFAOYSA-N	313.308	2.206	70	20	DEID	
CC(C)C(=O)N[C@H]1CCCN(C(=O)C[C@@H](C)c2ccncc2)C1	160323139	HRQRETHISBUDLC-ZBFHGGJFSA-N	317.433	2.338	70	20	DEID	
Cc1ccccc1[C@H]1CN(C(=O)CNCC2CC2)[C@H](C)CO1	160410952	RNVHMGOWSRKENT-RHSMWYFYSA-N	302.418	2.283	70	20	DEID	
CCC(CC)NC(=O)Nc1nnc(CCCC(=O)OC)s1	160702489	SPWXQIXNDIMPKU-UHFFFAOYSA-N	314.411	2.344	70	20	DEID	
CN(Cc1ccccn1)C(=O)N[C@@H]1CCN(C2CCCC2)C1	160817069	NXZLHEGQQYGQEU-OAHLLOKOSA-N	302.422	2.240	70	20	DEID	
Cc1ccc([C@H](C)N(C)C(=O)NC[C@@H]2CCCS2(=O)=O)cc1	159801220	AUMCWPPWMISPGM-ZFWWWQNUSA-N	324.446	2.275	70	20	DEID	
CCCCNC(=O)[C@H]1CSCN1C(=O)c1cc(C)c(C)o1	159638765	OHPLKTWJIAEJBA-GFCCVEGCSA-N	310.419	2.328	70	20	DEID	
Cc1ccc(NC(=O)N(CCS(C)(=O)=O)C(C)C)c(F)c1	159975018	BDVXWKWQOGPMBM-UHFFFAOYSA-N	316.398	2.421	70	20	DEID	
COCc1nc2n(n1)C[C@@H](N[C@H](C)c1ccccc1C)CC2	159793822	WTORTJBYAQAYKS-KGLIPLIRSA-N	300.406	2.399	70	20	DEID	
CCOc1cccc(CNC(=O)NOCc2cccnc2)c1	161061708	BMPIUDOQHZGJHS-UHFFFAOYSA-N	301.346	2.411	70	20	DEID	
COC[C@@H](O)CCNC(=O)CCOc1cc(C)ccc1C(C)C	161255708	PVVINSRVVOKODD-HNNXBMFYSA-N	323.433	2.401	70	20	DEID	
Cc1cccc(-n2cc(C(=O)N(C)CCc3ccccn3)nn2)c1	161372921	MMXCKEBITBMDFU-UHFFFAOYSA-N	321.384	2.285	70	20	DEID	
CSC[C@@H](CCO)N[C@H](C)c1cccc(N2CCOC2=O)c1	160262438	JCULFYSCXLOXLU-TZMCWYRMSA-N	324.446	2.408	70	20	DEID	
CC(C)CCn1ccc(NC(=O)N[C@@H]2CCN(C(C)C)C2=O)n1	160445143	MERNIXVQDLDLHA-CYBMUJFWSA-N	321.425	2.060	70	20	DEID	
Cn1cnnc1[C@@H]1CCCN1C(=O)Nc1cc(C(C)(C)C)on1	160447895	XNOYBEOZMQIOJG-JTQLQIEISA-N	318.381	2.470	70	20	DEID	
CCc1n[nH]c(=O)c(CNC(=O)N2CCCCCCC2)c1CC	160490574	PGPYSBLZPLGADA-UHFFFAOYSA-N	320.437	2.370	70	20	DEID	
CCCC(=O)N1CCC[C@@H]1C(=O)N(C)c1ccc2c(c1)OCO2	160611317	UGPKUYKQVJGXFE-CYBMUJFWSA-N	318.373	2.169	70	20	DEID	
CC(=O)N(C)c1cccc(NC(=O)c2cnc3c(c2)ncn3C)c1	160676480	IPLVYDMBWSYEHJ-UHFFFAOYSA-N	323.356	2.203	70	20	DEID	
CCNC(=O)CCCC(=O)N[C@@H]1CCOC2(CCCCC2)C1	160715463	CMRVCFJGOMWXKU-CQSZACIVSA-N	310.438	2.291	70	20	DEID	
CCNC(=O)CCC(=O)NCCc1csc(C(C)(C)C)n1	160739960	NGHGIZZEGMBUQO-UHFFFAOYSA-N	311.451	2.016	70	20	DEID	
O=C(N[C@H]1CCN(CC2CC2)C1)N1CCC[C@H]1c1ccc[nH]1	160741882	HGOCJZAOKDJCHB-HOCLYGCPSA-N	302.422	2.346	70	20	DEID	
O=C(NCc1nc(-c2cccc(Cl)c2)no1)[C@H]1CCCNC1	160938080	HOFKUCIRWOAWNJ-NSHDSACASA-N	320.780	2.006	70	20	DEID	
CSc1cccc(NC(=O)NCC2(CO)CCOCC2)c1	159620121	MBHBCOQJKGYXRV-UHFFFAOYSA-N	310.419	2.319	70	20	DEID	
CN(C)C(=O)c1ccc(NC(=O)N(C)[C@H]2CCSC2)cc1	159672671	VUJSJGNRJIRASE-ZDUSSCGKSA-N	307.419	2.358	70	20	DEID	
O=C(NC[C@@H]1CCN(C2CC2)C1)N1CCc2cccc(F)c2C1	159732029	BLNXPLMRWNBQDB-ZDUSSCGKSA-N	317.408	2.378	70	20	DEID	
CC(C)CC(=O)NCCC(=O)N[C@@H]1CCOC2(CCCC2)C1	159990591	ZURFFAFTWJGUQE-CQSZACIVSA-N	310.438	2.147	70	20	DEID	
CSC[C@@](C)(O)CNC(=O)COc1ccccc1C(C)C	217629439	JVCPYQLPOSCUHV-INIZCTEOSA-N	311.447	2.419	70	20	DEID	
C[C@@H](CC(F)(F)F)NC(=O)c1cccc(S(=O)(=O)F)c1	1349533709	VHNPKIOMYAAVSJ-ZETCQYMHSA-N	313.272	2.416	70	20	DEID	
C[C@@H]1[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCC[C@H]1C	1517958761	ZLLBERHRKNZOGB-OUAUKWLOSA-N	316.398	2.475	70	20	DEID	
CCCC(=O)N1CCCC[C@@H]1C(=O)N1CCC(CNCC)CC1	161001022	AORCBICGCJLIBY-MRXNPFEDSA-N	323.481	2.016	70	20	DEID	
CCN(CC(=O)Nc1c(C)cccc1C)Cc1cnn(C)c1	161084401	XASBNJYALOSFBB-UHFFFAOYSA-N	300.406	2.498	70	20	DEID	
Cc1ccc(CCNC(=O)NCc2cccc(N(C)C)n2)cc1	161311345	AMUQHTHUIUMHAK-UHFFFAOYSA-N	312.417	2.498	70	20	DEID	
CC[C@@H](NC(=O)C(=O)c1c(C)nn(C)c1C)c1c(C)noc1C	160056857	RLARBGMDLNNTSB-GFCCVEGCSA-N	318.377	2.092	70	20	DEID	
O=C(COc1ccc2c(c1)CCC(=O)N2)NCC1(C2CC2)CC1	160213331	MCUXRHREBBHKRZ-UHFFFAOYSA-N	314.385	2.257	70	20	DEID	
Cc1cc(NC(=O)[C@@H]2CCC[C@H](N)C2)ccc1C(=O)N(C)C	160516337	MYLHNBOMAGSOOV-OLZOCXBDSA-N	303.406	2.153	70	20	DEID	
CC(C)[C@@H](CCO)NC(=O)COc1cccc2c1OC(C)(C)C2	160653785	KEQWEHCNJIXJOG-CQSZACIVSA-N	321.417	2.302	70	20	DEID	
CN(CCC(=O)OC(C)(C)C)C(=O)NCc1ccc(O)cc1	159893164	VRZAOFUAEIOCMS-UHFFFAOYSA-N	308.378	2.265	70	20	DEID	
C[C@H](O)CCNC(=O)CN(C(=O)OC(C)(C)C)c1ccccc1	161161098	CBCPVLMQQTUUNW-ZDUSSCGKSA-N	322.405	2.315	70	20	DEID	
CCC[C@H](C#N)NC(=O)CCc1ccc(S(=O)(=O)F)cc1	1121175092	NOJJBMIPTDOTOO-GFCCVEGCSA-N	312.366	2.086	70	20	DEID	
CCC(CC)N1C[C@@H](C(=O)Nc2ccc(OC)c(N)c2)CC1=O	161106166	SNTWPOZONXBGAV-NSHDSACASA-N	319.405	2.253	70	20	DEID	
CSc1nc(C2CC2)nc(C)c1C(=O)N[C@@H]1CCC[C@H]1O	161193236	DDSATQZKVZHFLV-GHMZBOCLSA-N	307.419	2.028	70	20	DEID	
CCOc1ccc(Nc2ncccc2C(=O)N2CC(O)C2)cc1	161444114	GUAHTAGGNBTZRZ-UHFFFAOYSA-N	313.357	2.041	70	20	DEID	
CC(=O)c1cccc(S(=O)(=O)N[C@@H](CN)C2CCCCC2)c1	160157383	KUTCTTQVSPASPZ-INIZCTEOSA-N	324.446	2.075	70	20	DEID	
Cc1cc(Cl)ccc1C(=O)N1CCCC[C@@H]1CNC(N)=O	160383908	DUEJFFDIJAWZKY-GFCCVEGCSA-N	309.797	2.311	70	20	DEID	
FC(F)(F)Cn1ccnc1CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	159626954	DZVMXEBPIHYXNR-UHTWSYAYSA-N	315.339	2.493	70	20	DEID	
COCCC1(C(=O)NC[C@@]2(O)CCc3ccccc32)CCC1	159434051	OBYNVDHPBDWLIB-SFHVURJKSA-N	303.402	2.143	70	20	DEID	
O=C(CNC(=O)c1cc2ccccc2[nH]1)NCC1(C2CC2)CC1	159650925	NQVDKXUXRWEGSZ-UHFFFAOYSA-N	311.385	2.204	70	20	DEID	
C[C@@H](CNC(=O)[C@H](C)N)Sc1ccc(Br)cc1	159653245	WBTTZYXPDCCOLA-IUCAKERBSA-N	317.252	2.393	70	20	DEID	
Cc1nccc(NC(=O)N[C@H](C)CO[C@H]2CCOC2)c1Cl	159657942	PBULFJKHKPOKQU-KOLCDFICSA-N	313.785	2.359	70	20	DEID	
C[C@H]1CCCCN1C(=O)[C@@H](C)Nc1ccc(S(C)(=O)=O)cc1	159373328	CXEUHWNMNPQWDM-QWHCGFSZSA-N	324.446	2.292	70	20	DEID	
Cc1cnn([C@H]2CCCN(C(=O)NCCc3cscn3)C2)c1	159375055	OADSIPFFQCNQBV-AWEZNQCLSA-N	319.434	2.237	70	20	DEID	
CC[C@H](CO)NC(=O)NCCc1cccc(Br)c1	217489722	XCMTXQUSFFIGIY-GFCCVEGCSA-N	315.211	2.062	70	20	DEID	
CC(C)C[C@H](N)C(=O)N1CC[C@@H](COCc2ccccc2)C1	161329163	FKEYBEUABAZPRU-SJORKVTESA-N	304.434	2.425	70	20	DEID	
Cc1ccc(NC(=O)CSC2CC2)cc1S(=O)(=O)F	857673869	MOTMPBOTDDTNGL-UHFFFAOYSA-N	303.380	2.487	70	20	DEID	
O=S(=O)(F)c1ccc(N[C@H](C2CCC2)[C@@H]2CCCO2)nc1	1550637717	RIAOFRVIQDOKQC-GXTWGEPZSA-N	314.382	2.499	70	20	DEID	
CCCN(CC(F)F)C(=O)NCCNC(=O)OC(C)(C)C	161010391	GYSLXIIJCNNXQF-UHFFFAOYSA-N	309.357	2.198	70	20	DEID	
CCC(CC)(CN)C(=O)NCCc1cnn(-c2ccccc2)c1	161170879	VIDGWVPTYMEKKY-UHFFFAOYSA-N	314.433	2.296	70	20	DEID	
C[C@@H](c1ccccc1F)N(C)C(=O)N[C@H]1CCc2ncnn2C1	161325440	JXRDFPKTRGMEPR-RYUDHWBXSA-N	317.368	2.135	70	20	DEID	
CCNC(=O)C(C)(C)CNc1cnc2cc(F)c(F)cc2n1	161337394	JIGWGTYCWGVPCA-UHFFFAOYSA-N	308.332	2.482	70	20	DEID	
C[C@H]1[C@@H](C)OCCN1C(=O)NCCCOCCc1ccccc1	161472770	YJOPKNLGNFNEJA-JKSUJKDBSA-N	320.433	2.455	70	20	DEID	
O=C(CNC(=O)c1cccs1)N[C@@H]1CCOC2(CCCC2)C1	160173869	OCVJPNQUZGXCSR-GFCCVEGCSA-N	322.430	2.086	70	20	DEID	
CCCC(O)(CCC)CC(=O)N1CCCN(C(=O)CC)CC1	160189253	KTVBGVNNYZIICW-UHFFFAOYSA-N	312.454	2.179	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)c1cnc(-c2ccccn2)s1	160498824	XAZPQCGHJHKBNQ-SNVBAGLBSA-N	319.386	2.277	70	20	DEID	
Cc1c(C(=O)N2CC[C@@H](N3CCCC3)C2)cnn1CC(C)C	160525094	CFAWTQPCUKAAFS-OAHLLOKOSA-N	304.438	2.158	70	20	DEID	
CC(C)[C@H](CCO)NC(=O)[C@H]1CCCN1Cc1ccccc1	160702211	DJCLZAQWBCAIQU-DLBZAZTESA-N	304.434	2.174	70	20	DEID	
CCOCCNC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1	160910084	JZTYDSSGZJCQSG-UHFFFAOYSA-N	306.406	2.115	70	20	DEID	
Cc1cc(NC(=O)[C@@H]2CCCNC2)ccc1OC1CCOCC1	160940077	QKOMCRJEISKPGS-CQSZACIVSA-N	318.417	2.491	70	20	DEID	
CN(C)[C@H](CNC(=O)N[C@@H]1CCO[C@H](C2CC2)C1)c1ccco1	159483128	FEZVMVIJXMXJPV-FMKPAKJESA-N	321.421	2.139	70	20	DEID	
C[C@@H](C(=O)N(CC(N)=O)Cc1ccccc1)c1ccsc1	159945572	YAWWIYLPEAUVEI-GFCCVEGCSA-N	302.399	2.366	70	20	DEID	
COc1cc(F)c([C@@H](C)NC(=O)C2CCNCC2)cc1OC	159962713	IMRNMWILAUPPRO-SNVBAGLBSA-N	310.369	2.020	70	20	DEID	
CC(C)N1CC[C@@H](Nc2ccccc2O[C@@H]2CCOC2)C1=O	159962930	RVYMWFMGHUNLJY-UKRRQHHQSA-N	304.390	2.276	70	20	DEID	
Cc1ccccc1NC(=O)N1CCC(N2CCCNC2=O)CC1	159579719	IOVFIWRWUGWFFJ-UHFFFAOYSA-N	316.405	2.407	70	20	DEID	
C[C@@H](C(=O)Nc1ccc(C(N)=O)nc1)c1c(F)cccc1F	161073941	FMXKYTFQJXYQQF-MRVPVSSYSA-N	305.284	2.201	70	20	DEID	
Cc1cc(C(=O)NC[C@H](c2ccco2)N2CCCCC2)ncn1	161225282	IGDJMBFKZXXXDU-OAHLLOKOSA-N	314.389	2.335	70	20	DEID	
CCCC[C@H](C(=O)OC)N1CCC([C@@H](O)C(F)(F)F)CC1	161275819	SJSUCCZEVQMHQW-VXGBXAGGSA-N	311.344	2.353	70	20	DEID	
CC(C)CCS(=O)(=O)N1CCC[C@@H](N2CCCC2)CC1	160162827	JMSPWOJEENKEBL-OAHLLOKOSA-N	302.484	2.313	70	20	DEID	
CC(C)[C@@H](C(=O)NC[C@@H](O)CN1CCCCC1)c1ccccc1	160206752	OADVHFWVMPCKQG-QZTJIDSGSA-N	318.461	2.389	70	20	DEID	
CC(C)OCCC(=O)Nc1ccc(CS(C)(=O)=O)c(F)c1	160404866	ZBEDUGYUFIQJOI-UHFFFAOYSA-N	317.382	2.124	70	20	DEID	
CC(C)CCn1ccc(NC(=O)N(C)Cc2cnn(C)c2)n1	160687162	MMEGEFGITBPHAN-UHFFFAOYSA-N	304.398	2.327	70	20	DEID	
C[C@@H](C(=O)NCCCOC1CCOCC1)[C@@H](N)c1ccccc1	160941564	WDAQBEJDJAYFJX-RHSMWYFYSA-N	320.433	2.024	70	20	DEID	
O=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)[C@H]1CCCNC1	160968636	FWXAJXPDKWOVGN-TVQRCGJNSA-N	317.216	2.143	70	20	DEID	
Cc1cccc(C(=O)Nc2cccn(CC(F)(F)F)c2=O)n1	159894002	WBMMMFDNGHVTES-UHFFFAOYSA-N	311.263	2.366	70	20	DEID	
NCCCC(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1	159770214	XOTUPVTZZDMTFD-UHFFFAOYSA-N	316.361	2.203	70	20	DEID	
C[C@@H]1CC(=O)CC[C@@H]1C(=O)Nc1cccc(S(=O)(=O)F)c1	274680360	WSQVVBREDFWBHB-RNCFNFMXSA-N	313.350	2.289	70	20	DEID	
Cc1ccc(NC(=O)/C=C\[C@@H]2CCOC2)cc1S(=O)(=O)F	857674501	YNOZNADUKGHYMB-USEMIUTHSA-N	313.350	2.184	70	20	DEID	
CC(C)OCC(C)(C)NC(=O)c1ccc(S(=O)(=O)F)cc1	864244284	QOKYZTVHUDKDHR-UHFFFAOYSA-N	317.382	2.278	70	20	DEID	
O=S(=O)(F)CCN1CCOc2cc(Cl)c(Cl)cc21	883954489	PCGDLXHGNNABMN-UHFFFAOYSA-N	314.165	2.492	70	20	DEID	
C[C@H](CCS(=O)(=O)Cl)NC(=O)OCc1ccccc1	135646969	BHJVRQQEZRWOLG-SNVBAGLBSA-N	305.783	2.260	70	20	DEID	
CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC1(CCOC)CC1	161052154	ZIEFQCVJOGSNPL-CABCVRRESA-N	309.454	2.071	70	20	DEID	
COC[C@@H](O)CCNC(=O)Nc1cccc2ccc(C)nc12	161418746	JCVKPNMXWXWIHQ-ZDUSSCGKSA-N	303.362	2.062	70	20	DEID	
Cc1nn(C)c(C)c1CCC(=O)N(C)c1ccc2c(c1)OCO2	160177865	FSCDLVBULYAYEE-UHFFFAOYSA-N	315.373	2.361	70	20	DEID	
CCN(CC)C(=O)CS(=O)(=O)c1ncc(C(C)(C)C)s1	160406275	HUVUHNHTFTVTID-UHFFFAOYSA-N	318.464	2.083	70	20	DEID	
CC(C)[C@H](CCO)NC(=O)c1cccc(OC[C@@H]2CCCO2)c1	160655197	LCOILLWMNNYISW-IRXDYDNUSA-N	321.417	2.381	70	20	DEID	
Cc1c(CNC(=O)NCc2cccc3cccnc23)cnn1C	160688240	SWELAPYSWUFKJZ-UHFFFAOYSA-N	309.373	2.276	70	20	DEID	
CCn1cc(S(=O)(=O)N[C@H](C)Cc2ccc(C)s2)cn1	159645679	KGYCDHWIYOGRFY-SNVBAGLBSA-N	313.448	2.182	70	20	DEID	
CN(CCOc1cccc(Cl)c1)C(=O)C[C@@H]1COC(=O)C1	159671470	XGMDXUIURCKQSX-NSHDSACASA-N	311.765	2.130	70	20	DEID	
CO[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(C)cc1Cl	159923724	NVJMKMXTPBUZTB-CHWSQXEVSA-N	310.781	2.271	70	20	DEID	
O=C(c1ccc(-n2cccn2)cc1)N1CCC(NCC2CC2)CC1	159775665	FKSWWOUIVCOFAO-UHFFFAOYSA-N	324.428	2.477	70	20	DEID	
C[C@@H](C(=O)Nc1ccc(F)cc1F)N(C)C[C@@H]1CCC[C@@H]1O	159794132	HMRAXRZZLRNVJN-PGUXBMHVSA-N	312.360	2.385	70	20	DEID	
CCOC(=O)[C@H]1CCCN(c2nnc(C(F)(F)F)s2)C1	160418650	FXACRDBNOFZNAC-ZETCQYMHSA-N	309.313	2.336	70	20	DEID	
CSCC[C@H](C)N(C)S(=O)(=O)c1ccc(N)cc1F	161040654	HRDGIZABJYYCLM-VIFPVBQESA-N	306.428	2.170	70	20	DEID	
C[C@@H](Oc1cccnc1)C(=O)Nc1ccc(S(=O)(=O)F)cc1	187236051	OKNOKKXNOPSHRM-SNVBAGLBSA-N	324.333	2.146	70	20	DEID	
COCCCOc1cccc(CNC(=O)N2CCOC[C@H]2C)c1	161225721	LPEFXYHYTPALPJ-CQSZACIVSA-N	322.405	2.032	70	20	DEID	
CC(=O)c1c(C)[nH]c(C(=O)CSCCN2CCOCC2)c1C	160005466	OBGODNYEFZXCDO-UHFFFAOYSA-N	324.446	2.082	70	20	DEID	
C[C@]1(NC(=O)Nc2cccc(N3CCCC3=O)c2)CCOC1	160095281	LRTRQENZFWAGAD-INIZCTEOSA-N	303.362	2.114	70	20	DEID	
O=C(NCCCO[C@@H]1CCCc2ccccc21)[C@H]1CSCN1	160123334	XFLIXZXLFFFPEO-HZPDHXFCSA-N	320.458	2.249	70	20	DEID	
C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)[C@@H]1CCCCO1	160162259	DSEINPYYSAFSJZ-CJNGLKHVSA-N	314.389	2.356	70	20	DEID	
CN(CC1CCOCC1)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	160242789	AQQLLQJQQFIBIQ-ZNMIVQPWSA-N	308.422	2.012	70	20	DEID	
Cc1cc2cn[nH]c2cc1NC(=O)c1cnc2c(c1)ncn2C	160353712	SRJPNEUXINNQGO-UHFFFAOYSA-N	306.329	2.405	70	20	DEID	
COC(=O)c1cc(CN(C)Cc2ccc(OC)cc2OC)c[nH]1	160836982	ZVVNHJKHFPEZRS-UHFFFAOYSA-N	318.373	2.451	70	20	DEID	
CC(C)C[C@@H](C)NC(=O)N1CCN(Cc2ccccn2)CC1	160900693	RJXBBJYJGZUKNQ-OAHLLOKOSA-N	304.438	2.343	70	20	DEID	
CC[C@@H](NC(=O)Nc1ccc(-n2cccn2)nc1)[C@@H]1CCCO1	160935563	GNDLBHSIGYZWBU-KGLIPLIRSA-N	315.377	2.346	70	20	DEID	
Cc1nccc(NC(=O)N2CCOC[C@@H]2C[C@@H](C)O)c1Cl	159424438	IEIOWIKTCYWODX-KOLCDFICSA-N	313.785	2.047	70	20	DEID	
CC(=O)N1CC[C@H](NC(=O)[C@@H](C)CCc2ccccc2F)C1	159444004	JEMIMLOLARDULJ-WFASDCNBSA-N	306.381	2.131	70	20	DEID	
CC(=O)N1CC[C@H](NC(=O)C2(c3cccc(F)c3)CCCC2)C1	159669474	IBJSDOKZPLMDLI-INIZCTEOSA-N	318.392	2.375	70	20	DEID	
C[C@@H](c1ccccc1F)N1CCC(N2CCC[C@@H]2C(N)=O)CC1	159364718	MOKTWHRIDXRAAF-SUMWQHHRSA-N	319.424	2.301	70	20	DEID	
CC(C)(C)C(=O)C(=O)Nc1ccc(F)c(CS(=O)(=O)F)c1	876319343	SYGLYFDCCMKVMW-UHFFFAOYSA-N	319.329	2.179	70	20	DEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC=C(c2ccco2)C1	1123829355	MLGPSWZOTDJHAA-UHFFFAOYSA-N	324.333	2.195	70	20	DEID	
O=C(OCC[C@H]1CCCO1)c1cccc(S(=O)(=O)F)c1	1333518507	DDLBMFVEPWABNM-LLVKDONJSA-N	302.323	2.071	70	20	DEID	
COC[C@@H](O)CCNC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1	161032807	AGUJOFVMIPEGME-ZFWWWQNUSA-N	323.433	2.265	70	20	DEID	
COC[C@@H](O)CCNC(=O)[C@H](C)Oc1cccc(C(C)(C)C)c1	161048495	BREDQYSAQQSHFE-ZFWWWQNUSA-N	323.433	2.265	70	20	DEID	
C[C@@H](CCO)CNC(=O)c1cccc(NC(=O)c2ccco2)c1	161073215	PFDVQYQWTREFHI-LBPRGKRZSA-N	316.357	2.280	70	20	DEID	
Cc1ccc(NC(=O)C(=O)N[C@@H](C)C2CCOCC2)cc1C	161165205	CXXGKBLCSBILLQ-ZDUSSCGKSA-N	304.390	2.173	70	20	DEID	
N[C@@H]1CCC[C@@H](NC(=O)c2cccnc2N2CCCCC2)C1	161218433	QUWNFRCWDCHWSI-ZIAGYGMSSA-N	302.422	2.072	70	20	DEID	
O=c1c2ccoc2ccn1C[C@@H](O)COc1ccc(F)cc1	161389289	LWTKBLCSOVCNNG-GFCCVEGCSA-N	303.289	2.174	70	20	DEID	
CCN(C(=O)CSc1ncnc2[nH]cnc12)c1ccccc1	161390929	ZTIULEKTTSOYBC-UHFFFAOYSA-N	313.386	2.498	70	20	DEID	
COC(=O)[C@@H](C)NC(=O)c1cc(C)c(Br)cc1C	160122355	AHKDPYZAQBXSFP-SECBINFHSA-N	314.179	2.357	70	20	DEID	
CCOCc1ccc(CNC(=O)N2CCC[C@@](C)(O)C2)cc1	160273236	ZQVQEWFYECWDEV-QGZVFWFLSA-N	306.406	2.280	70	20	DEID	
COCCCOc1ccc(C(=O)Nc2c(C)n[nH]c2C)cn1	160376068	YWECKONGLFBEDO-UHFFFAOYSA-N	304.350	2.089	70	20	DEID	
CC(C)CN1CCC[C@@H]1CNC(=O)c1cccc2c1OCCO2	160383968	IMUHKBKMHPGONB-CQSZACIVSA-N	318.417	2.308	70	20	DEID	
CCN(CCS(C)(=O)=O)C(=O)Nc1ccc(SC)cc1	160439951	YTZYUSAWBHCPNN-UHFFFAOYSA-N	316.448	2.307	70	20	DEID	
C[C@H]1CN(C[C@@H]2CCCN2c2nc(C3CC3)ns2)C[C@@H](C)O1	160466189	MDEODDFIDXENNM-SCRDCRAPSA-N	322.478	2.494	70	20	DEID	
C[C@]1(O)CCCN(C(=O)NCC2(c3ccc(F)cc3)CC2)C1	160502089	YVVFKCXKMYYVIF-INIZCTEOSA-N	306.381	2.414	70	20	DEID	
COC[C@H](N[C@@H](CN1CCCC1=O)c1ccccc1)C1CC1	160793193	XDWLHGHVBRQKKK-IRXDYDNUSA-N	302.418	2.365	70	20	DEID	
CC(C)(CNC(=O)CNC[C@@H]1CCCO1)Cc1ccccc1	159486989	GTMJJUCTLTWZHU-INIZCTEOSA-N	304.434	2.140	70	20	DEID	
C/C=C(/C)C(=O)NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2	159489141	YJOHUMKOVMWZFX-KNVNGTOESA-N	311.765	2.227	70	20	DEID	
COc1cccnc1N(C)S(=O)(=O)c1cccc(F)c1C	159540274	LRTVLBRRMMPYCZ-UHFFFAOYSA-N	310.350	2.363	70	20	DEID	
COC[C@H](NC(=O)N(CCN(C)C)C(C)C)c1ccc(C)o1	159374291	SQFLDBWZQYPIFE-AWEZNQCLSA-N	311.426	2.257	70	20	DEID	
COc1cccc(CCNC(=O)NCc2ccc(CO)cc2)c1	217432309	RSCNMMOHXZRTRO-UHFFFAOYSA-N	314.385	2.229	70	20	DEID	
CO[C@H](C)CCNc1ccc([N+](=O)[O-])cc1CS(=O)(=O)F	881905311	PFLRGBNBNIHGES-SECBINFHSA-N	320.342	2.231	70	20	DEID	
CSC[C@](C)(O)CNC(=O)c1nc(C(C)C)ncc1Cl	217659188	JOXUWFMDEIFLBZ-CYBMUJFWSA-N	317.842	2.097	70	20	DEID	
CCN(CCc1ccccc1)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1515237392	MJMYOJHOPOCOFZ-UHFFFAOYSA-N	324.377	2.378	70	20	DEID	
COCCC1(CNC(=O)N2CCC[C@@H](N3CCCC3)C2)CC1	161018862	HYUWYLBMFZADSX-OAHLLOKOSA-N	309.454	2.073	70	20	DEID	
Cc1ccc(F)c(OCC(=O)N[C@H](C)C(=O)OC(C)(C)C)c1	161072328	BJTDZNIHADAJBP-LLVKDONJSA-N	311.353	2.359	70	20	DEID	
CC[C@H](COC)NC(=O)Nc1ccc(O[C@H]2CCOC2)cc1	160170346	VDSFCRDEGCCFLR-DOMZBBRYSA-N	308.378	2.401	70	20	DEID	
O=C([C@@H]1CCn2ccnc2C1)N1CCCN(c2ccccc2)CC1	160185579	ZPAYSLFIDYFNFX-MRXNPFEDSA-N	324.428	2.184	70	20	DEID	
COC(=O)C[C@@H](C)C(=O)/N=c1/ccccn1Cc1ccccc1	160465990	SMHPYMXHBZPIAQ-DZTQIWHNSA-N	312.369	2.163	70	20	DEID	
CCNC(=O)CN(CC)C(=O)NCC1(Cc2ccccc2)CC1	160708598	BXWDQQBLDAINDH-UHFFFAOYSA-N	317.433	2.177	70	20	DEID	
COCC(=O)N1CCC(NCc2ccc(Cl)cc2F)CC1	160761543	UHNWAWRSMBFGFX-UHFFFAOYSA-N	314.788	2.206	70	20	DEID	
O=C(N[C@H]1CCN(C2CCCC2)C1)N[C@@H](CO)c1ccccc1	160822137	HTCGYCDDMYRAFH-RDJZCZTQSA-N	317.433	2.036	70	20	DEID	
C[C@H]1CN(CCCNC(=O)N2CCC3(CCC3)C2)C[C@@H](C)O1	159808466	WWMIPMJAXBPDTI-GASCZTMLSA-N	309.454	2.071	70	20	DEID	
COCCC1(C(=O)N2CCN(c3ccccc3O)CC2)CCC1	159626596	YKPQPLGIYGSODO-UHFFFAOYSA-N	318.417	2.248	70	20	DEID	
COCCOc1ccccc1NC(=O)N[C@H](COC)C1CC1	159553787	MFPLXTIPLSSQNV-CQSZACIVSA-N	308.378	2.258	70	20	DEID	
CC(C)(C)OC(=O)N1CC[C@@]2(CCN(c3cnccn3)C2)C1	159998906	AAFYABTWWHZODQ-MRXNPFEDSA-N	304.394	2.314	70	20	DEID	
CN(C)c1nc(N)nc(CSCc2cnc(Cl)s2)n1	161160552	SYEUSWKBTVMYMP-UHFFFAOYSA-N	316.843	2.063	70	20	DEID	
CC(C)[C@H]1CCCCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1	1340081915	IYVVGQFQSUJLDQ-GFCCVEGCSA-N	302.371	2.324	70	20	DEID	
CCOCCC1(CNC(=O)[C@@H](CC)N2CCCC2=O)CCC1	161342478	IUPLBYYVOIRSKM-CQSZACIVSA-N	310.438	2.101	70	20	DEID	
C[C@H](NC1CCN(C)CC1)c1cccc(OCCN(C)C)c1	161451701	LWSNPQAPWLDGFQ-HNNXBMFYSA-N	305.466	2.372	70	20	DEID	
NC(=O)C1(NC(=O)c2cc(F)cc3cccnc23)CCCCC1	161473853	SENUNKMQELVKIZ-UHFFFAOYSA-N	315.348	2.292	70	20	DEID	
CCC[C@H]1CN(C(=O)NC(C2CC2)C2CC2)CCN1CCOC	160100955	FTHHWCQVIQJQLC-INIZCTEOSA-N	323.481	2.317	70	20	DEID	
CCN(CC)[C@@H](CNC(=O)N1CCC[C@](C)(O)C1)CC(C)C	160138605	RWFDCYYACQLBOE-WBVHZDCISA-N	313.486	2.299	70	20	DEID	
COC(=O)[C@H](C)CNC(=O)CSc1nccc2ccccc12	160463893	IHJLGZOFCZMDGV-LLVKDONJSA-N	318.398	2.252	70	20	DEID	
COC[C@H](NCc1ccccc1CN1CCOCC1)C1CC1	160506834	VQVOQWSKIGGAOT-SFHVURJKSA-N	304.434	2.033	70	20	DEID	
CC(C)n1cc([C@@H](C)NCCCCN2CCC[C@@H]2CO)cn1	160747321	BUXJOOJGRANEMX-NVXWUHKLSA-N	308.470	2.352	70	20	DEID	
CCC(CC)[C@@H](CNC(=O)NCC[C@@H](O)CC)N1CCCC1	160902651	XLZMKLPCYVAAOA-JKSUJKDBSA-N	313.486	2.347	70	20	DEID	
Cc1ccc(C(=O)CCN2CCN(Cc3ccon3)CC2)cc1	159827960	DNNZJZHCZJTJSW-UHFFFAOYSA-N	313.401	2.374	70	20	DEID	
CC(C)[C@@H]1OCCC[C@H]1CNC(=O)N(CCN(C)C)C(C)C	159463786	BHGVRBXYMPQYEX-HOTGVXAUSA-N	313.486	2.419	70	20	DEID	
C[C@H]1COCCN1C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1	159883968	QTSFKULCQGABEZ-HLLBOEOZSA-N	317.433	2.080	70	20	DEID	
C[C@H](CNC[C@H](O)COc1ccc(Cl)cc1)N(C)C1CC1	218561230	SUDFFJFQWKECND-DOMZBBRYSA-N	312.841	2.152	70	20	DEID	
Cc1ccc(NC(=O)[C@@H]2O[C@H](C)C[C@@H]2C)cc1S(=O)(=O)F	857674006	OOFNUUFZIUABSU-OPQQBVKSSA-N	315.366	2.405	70	20	DEID	
CCn1nc(C)c(Br)c1CS(=O)(=O)Cl	91352955	QFOQLKALSGWXIV-UHFFFAOYSA-N	301.593	2.043	70	20	DEID	
COC(=O)CSCCC(=O)NCCc1cc2ccccc2[nH]1	161027529	KASMHMWRFHQZOJ-UHFFFAOYSA-N	320.414	2.123	70	20	DEID	
CC(C)C[C@H](CO)NC(=O)CCCc1nc(C(C)(C)C)no1	161136797	MLMLQZFOJZJOMR-GFCCVEGCSA-N	311.426	2.213	70	20	DEID	
CNC[C@H]1CCCN1C(=O)CCCOc1ccc(F)cc1F	161168246	MBQOOMJLMRTPLC-CYBMUJFWSA-N	312.360	2.334	70	20	DEID	
COc1cc(C)cc(CNC(=O)CCC(=O)NC2CCCC2)c1	161343716	USWGGQJHYFGUBW-UHFFFAOYSA-N	318.417	2.459	70	20	DEID	
Cc1ccc(-c2n[nH]c(NC(=O)C[C@@H]3COC(=O)C3)c2C)o1	161371542	HULPHALRPRNYAD-JTQLQIEISA-N	303.318	2.178	70	20	DEID	
Cc1cc(C)n(-c2ccc(N[C@H](CO)CC(C)(C)C)nn2)n1	161402895	CJIDPVGOAILLCY-ZDUSSCGKSA-N	303.410	2.488	70	20	DEID	
Cc1ccccc1OCCCNC(=O)[C@@H]1CCn2ccnc2C1	161434642	VVQWEIRZXXKXQU-OAHLLOKOSA-N	313.401	2.339	70	20	DEID	
Cc1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C)n1	161476973	HLOUMQXYLDSILN-CYBMUJFWSA-N	319.405	2.471	70	20	DEID	
CCCc1c(C(=O)N[C@H]2CCC[C@H](N)C2)[nH]c(C)c1C(C)=O	161509161	TWTFIVGAFGLIOA-STQMWFEESA-N	305.422	2.478	70	20	DEID	
C[C@H](NC(=O)[C@H]1CCCCO1)c1ccc(-n2cncn2)cc1	160152237	UMHMCHQZNKZFHT-SWLSCSKDSA-N	300.362	2.014	70	20	DEID	
CCC(=O)N1CCC[C@H](C(=O)N(C)c2ccc3c(c2)OCO3)C1	160469311	URIVDGZNXATLMB-LBPRGKRZSA-N	318.373	2.027	70	20	DEID	
CCC(CC)CNC(=O)N1CCN([C@@H](C)c2nc(C)no2)CC1	160562495	MCEZHGAFTNAGPH-LBPRGKRZSA-N	323.441	2.202	70	20	DEID	
CNC(=O)Cn1cc(NC(=O)CC2CCC(C)(C)CC2)cn1	159429692	AZHBAPXJLQEPBB-UHFFFAOYSA-N	306.410	2.174	70	20	DEID	
CCCNC(=O)Nc1ccccc1S(=O)(=O)NC(C)(C)C	159366275	DYKFYIOBEKUUAR-UHFFFAOYSA-N	313.423	2.295	70	20	DEID	
Cn1nc(NC(=O)c2cccc(S(=O)(=O)F)c2)cc1C1CC1	1349534049	ZIYPJHPWXCTNAL-UHFFFAOYSA-N	323.349	2.208	70	20	DEID	
C[C@@H](NC(=O)CN1CCC[C@@H](CN)C1)c1ccccc1Cl	217549552	NNVVJOCDKWERNY-OLZOCXBDSA-N	309.841	2.188	70	20	DEID	
C[C@H]1CN(C(C)(C)CNC(=O)[C@H]2CC2(Cl)Cl)C[C@@H](C)O1	218517223	PICPNIMUMOEBEQ-OUAUKWLOSA-N	323.264	2.184	70	20	DEID	
O=C(Nc1ccc(F)c(CS(=O)(=O)F)c1)[C@H]1CCCCO1	876319273	QZSBNQJDHNBZRW-GFCCVEGCSA-N	319.329	2.133	70	20	DEID	
Cn1nccc1CNC1CCC(NC(=O)OC(C)(C)C)CC1	218107611	XMSJQRPYTDGZNK-UHFFFAOYSA-N	308.426	2.346	70	20	DEID	
COC[C@H](O)CCNC(=O)[C@@H](OC(C)(C)C)c1ccccc1	161257146	FHNOSHSNHLONDE-CABCVRRESA-N	309.406	2.056	70	20	DEID	
COc1ccc(NC(=O)CSc2nc(C)cc(C)n2)cc1N	161318005	DVXMCNMYYIIQAA-UHFFFAOYSA-N	318.402	2.415	70	20	DEID	
COc1ccccc1S(=O)(=O)N[C@@H](C)c1cccc(O)c1	160124358	YXRYLXJQGAKBEG-NSHDSACASA-N	307.371	2.440	70	20	DEID	
CS[C@@H](C)CNC(=O)NCCOc1ncccc1Cl	160394979	BVDAAGNRVQAAAW-VIFPVBQESA-N	303.815	2.165	70	20	DEID	
CCN(Cc1c(C)nc2ccccn12)[C@H](C)CS(=O)(=O)CC	160397043	NVQMFWCBVYZZKV-CYBMUJFWSA-N	323.462	2.288	70	20	DEID	
CC[C@H](C)[C@@H](O)CNC(=O)c1c(-c2ccccn2)noc1C	160448002	UXTWVSHDUFHDPD-GWCFXTLKSA-N	303.362	2.182	70	20	DEID	
Cc1cccc(-n2cc(C(=O)N(C)C[C@@H]3CCCCO3)nn2)c1	160840267	RNKAGINHLWZLLD-HNNXBMFYSA-N	314.389	2.217	70	20	DEID	
COc1ccsc1S(=O)(=O)Nc1ccnn1CC(C)C	159537696	UVGRCSWKGJCKHI-UHFFFAOYSA-N	315.420	2.410	70	20	DEID	
CC(=O)N1CC[C@H](NC(=O)Cc2ccc(Cl)cc2Cl)C1	159763545	JYCZCLHFNVIWNF-LBPRGKRZSA-N	315.200	2.273	70	20	DEID	
CSC[C@@](C)(O)CNC(=O)c1cc(-c2ccccc2)no1	217633206	PGQFJIPJEHGMBD-HNNXBMFYSA-N	306.387	2.185	70	20	DEID	
CCOC[C@H](O)CN1CCO[C@@H](c2ccc(F)c(Cl)c2)C1	217183607	BAHHKOVOSFIVRZ-IUODEOHRSA-N	317.788	2.250	70	20	DEID	
CCN(Cc1cnc(C(C)C)s1)[C@@H]1CCS(=O)(=O)C1	160536927	CHKXVOJNXOQJFR-LLVKDONJSA-N	302.465	2.276	70	20	DEID	
O=C(O)c1ccc(OC(=O)c2ccc(S(=O)(=O)F)cc2)cc1	1602386853	RUTNAPDZVBXIGO-UHFFFAOYSA-N	324.285	2.262	70	20	DEID	
O=C(Nc1ccccc1C(=O)O)c1ccc(S(=O)(=O)F)cc1	1594810843	ZYKHSRLDIJDVLX-UHFFFAOYSA-N	323.301	2.295	70	20	DEID	
COc1cc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)ccc1O	160215621	DFTNWRCZMAFAJP-UHFFFAOYSA-N	317.429	3.624	70	20	DEID	
O=C(N[C@@H]1[C@H]2Cc3ccccc3[C@@H]21)c1ncn(-c2ccccc2)n1	160410398	RHDJCRFXQFNVFT-YESZJQIVSA-N	316.364	2.335	70	20	DEID	
CS[C@@H](C)CC(=O)N1CCC[C@@H]1C(=O)NCc1ccco1	160682205	XBTYVQIFOLHMTH-WCQYABFASA-N	310.419	2.028	70	20	DEID	
CN1CCc2ccc(C(=O)N3CC[C@@H]4[C@H](CCCN4C)C3)cc21	159452394	NMNZWTXEEDPHOS-IAGOWNOFSA-N	313.445	2.235	70	20	DEID	
CC(C)CCC[C@@H](C)NC(=O)CSCCN1CCOCC1	159875673	HQDYFFGRGIKPHV-OAHLLOKOSA-N	316.511	2.383	70	20	DEID	
CCCC[C@H](COC)NC(=O)Nc1ccnn1C[C@@H]1CCOC1	159884405	VWPICKRMJMAZJP-UONOGXRCSA-N	324.425	2.246	70	20	DEID	
O=C1[C@@H]2CCCCN2C(=O)N1Cc1noc(C2CCCCC2)n1	159514902	NWRXTZOQQMZKRP-LBPRGKRZSA-N	318.377	2.434	70	20	DEID	
CCN(CC)c1ccc(C(=O)N(C)CCCC(=O)NC)cc1	159363814	HLWKPUKEGVQPTI-UHFFFAOYSA-N	305.422	2.131	70	20	DEID	
CCn1cnnc1CNCc1ccc(OC(F)(F)F)cc1	218232902	YJNOIMXXFAGZIQ-UHFFFAOYSA-N	300.284	2.486	70	20	DEID	
C=CCOCCCC(=O)Nc1cccc(S(=O)(=O)F)c1	274495087	OTRYDROIBXANAK-UHFFFAOYSA-N	301.339	2.266	70	20	DEID	
CO[C@H](C(=O)Nc1ccc(F)c(CS(=O)(=O)F)c1)C(C)C	876319348	TVSUEVYICMXQGH-LBPRGKRZSA-N	321.345	2.235	70	20	DEID	
O=C(Cc1ccc(S(=O)(=O)F)cc1)N[C@@H]1CCC[C@H](F)C1	1337475043	NZGHMFWVSNRZGQ-NWDGAFQWSA-N	317.357	2.284	70	20	DEID	
CC(C)[C@](CCS(=O)(=O)F)(C(=O)O)C(=O)c1ccccc1	1590981305	TXAHLDLOYKQSJV-AWEZNQCLSA-N	316.350	2.286	70	20	DEID	
N[C@H]1CCC[C@H](NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)C1	161125361	OEIWXZARQSWWRQ-RYUDHWBXSA-N	324.808	2.040	70	20	DEID	
CCc1noc(C)c1NC(=O)C(=O)N1CC[C@@H](C)C[C@@H](C)C1	161159492	CCYSASJSVVYCAK-GHMZBOCLSA-N	307.394	2.379	70	20	DEID	
Cn1ccnc1-c1cccc(NC(=O)N2CCC[C@@](C)(O)C2)c1	161218802	NSRSYWCZVBGYNH-QGZVFWFLSA-N	314.389	2.466	70	20	DEID	
Cc1ccc(F)c(OCC(=O)N2CCC[C@@H](CCC(N)=O)C2)c1	161326314	AJCKSDHMWJQSTH-ZDUSSCGKSA-N	322.380	2.017	70	20	DEID	
CC(C)(C)NC(=O)CNC(=O)CNc1cccc(C(F)F)c1	161383798	BFUXLLXOJMTMMD-UHFFFAOYSA-N	313.348	2.067	70	20	DEID	
COCC(=O)N[C@H](C(=O)N[C@@H]1CCCc2sccc21)C(C)C	160035994	ZBQFRNHKSIVFSQ-DOMZBBRYSA-N	324.446	2.029	70	20	DEID	
CC[C@H](C(=O)N[C@H]1CCN(C(C)C)C1=O)c1ccc(F)cc1	160040365	UUMGKJBZNNRXOQ-GJZGRUSLSA-N	306.381	2.445	70	20	DEID	
COCCCNC(=O)NCc1nnc(-c2ccccc2)s1	160210783	MWEXNSCFOQIWTL-UHFFFAOYSA-N	306.391	2.041	70	20	DEID	
COc1ccc(OC)c(CCC(=O)N[C@H](CCO)C(C)C)c1	160506677	JQODTGSSIHQEKK-OAHLLOKOSA-N	309.406	2.160	70	20	DEID	
Cc1c(CNC(=O)NCCc2csc(C(C)C)n2)cnn1C	160922531	SZHYVPQBNZHBHT-UHFFFAOYSA-N	321.450	2.350	70	20	DEID	
Cc1nsc(N2CCN(c3nc(C(C)(C)C)ns3)CC2)n1	159658780	YRNNFLSTQQTPCQ-UHFFFAOYSA-N	324.479	2.322	70	20	DEID	
CCN(CC)C(=O)CCCNc1ccc(C(=O)OC)c(C)n1	159700608	CNALADTVNTUKRX-UHFFFAOYSA-N	307.394	2.237	70	20	DEID	
COc1cccc(CO[C@@H](C)C(=O)Nc2c[nH]c(=O)c(C)c2)c1	159748882	FLSKEQSNHMPSEM-LBPRGKRZSA-N	316.357	2.236	70	20	DEID	
NC(=S)c1ccc(C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]23)cc1	159757276	QRSYKXOVWVNJBD-MGPQQGTHSA-N	304.415	2.008	70	20	DEID	
CC(C)CONC(=O)Nc1ccccc1CN1CCOCC1	159385987	JEXSLANWRZNFGB-UHFFFAOYSA-N	307.394	2.228	70	20	DEID	
CCCCN1CCCC[C@@H]1CNC(=O)NC[C@@H](C)N(C)C1CC1	217037292	ODULNNCTYRTPKE-NVXWUHKLSA-N	324.513	2.423	70	20	DEID	
CCOc1ccc(NC(=O)N[C@@H]2CC(=O)N(C(C)C)C2)cc1	217288252	UJHBDJCBBVHOAW-CYBMUJFWSA-N	305.378	2.216	70	20	DEID	
O=C([C@H]1CCCCN1)N1CC[C@H](COCc2ccccc2)C1	161322690	LYUCCCGWQKRBCO-DLBZAZTESA-N	302.418	2.194	70	20	DEID	
O=C(Nc1cccc(S(=O)(=O)F)c1)c1ccc2c(c1)OCO2	460091605	KFXIWOQRYAHTMV-UHFFFAOYSA-N	323.301	2.326	70	20	DEID	
Cc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)F)c[nH]2)cc1	1336920274	GUADNDHIIOVKEK-SNVBAGLBSA-N	310.350	2.472	70	20	DEID	
O=S(=O)(F)c1ccc(NC[C@@H]2C[C@@H]3CCC[C@@H]3O2)nc1	1550640471	CHDLWMXCEODKJF-NHCYSSNCSA-N	300.355	2.109	70	20	DEID	
O=C(NCCCC(=O)N1CCc2c(F)cccc2C1)C1CC1	161111994	UPGQSZKGDAWLEJ-UHFFFAOYSA-N	304.365	2.017	70	20	DEID	
Cc1ccc(NC(=O)N[C@H](C)C(=O)NCc2ccccc2)cn1	161376596	TZXHNERGSYZPBE-CYBMUJFWSA-N	312.373	2.216	70	20	DEID	
CC[C@@H]1CCCCN1CCNC(=O)N(C)C[C@@H]1CCC[C@@H]1O	161391147	PGBDEIDDIPZWCY-XHSDSOJGSA-N	311.470	2.053	70	20	DEID	
O=C(Nc1cccc(N2CCCNC2=O)c1)NC1CC=CC1	161499147	NSNPUGFHVYZJPB-UHFFFAOYSA-N	300.362	2.446	70	20	DEID	
C[C@H](CNC(=O)[C@H](O)c1ccccc1Cl)CN1CCCC1	160094401	RXGHIIVZZSRESI-IUODEOHRSA-N	310.825	2.222	70	20	DEID	
CC(C)OC(=O)CCCNC(=O)NCC(C)(C)[C@H](O)C(C)C	160125548	NKFMJAJWTYGTGR-CQSZACIVSA-N	316.442	2.061	70	20	DEID	
CSCC[C@@H](N)C(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1	160399499	SUMQOSOTYDSKIT-DZGCQCFKSA-N	310.438	2.297	70	20	DEID	
Cc1cc(Oc2ccc(NC(=O)CCc3nnc[nH]3)cc2)n[nH]1	160474161	IWZQOXCYULDWAC-UHFFFAOYSA-N	312.333	2.200	70	20	DEID	
CCc1ccc(/C=C/C(=O)N[C@H]2CCCn3nc(C)nc32)o1	160876538	PMKMMQMRCOJWGG-VFNNOXKTSA-N	300.362	2.406	70	20	DEID	
NC(=O)c1ccc(C(=O)N(Cc2ccco2)C2CCCC2)cn1	160880367	AIFHKRZSWBFFIZ-UHFFFAOYSA-N	313.357	2.359	70	20	DEID	
Cc1ccc(N2CC[C@H](N3CCN(CC4CC4)CC3)C2=O)cc1	159406314	RJJQMKSWYCADIY-SFHVURJKSA-N	313.445	2.128	70	20	DEID	
Cc1nccn1C[C@H](C)CNC(=O)N[C@H]1CCO[C@H](C2CC2)C1	159608357	SXMUIEVBXZPJLD-KCXAZCMYSA-N	320.437	2.084	70	20	DEID	
COC(=O)Cn1cc(CCSC2=Nc3ccccc3C2)nn1	159817138	OEIBLZIIWZHOJN-UHFFFAOYSA-N	316.386	2.013	70	20	DEID	
Cc1csc(NC(=O)N[C@H]2CCN(c3ccccn3)C2)n1	159893307	VRNXBMYFEFPHBJ-NSHDSACASA-N	303.391	2.247	70	20	DEID	
Cc1ccc(NC(=O)C2(F)CCOCC2)cc1S(=O)(=O)F	875835998	PNGUFYLCTHBIPO-UHFFFAOYSA-N	319.329	2.110	70	20	DEID	
CN(C(=O)c1cccc(S(=O)(=O)F)c1)c1nccs1	1336405651	HRZNNGXCAJTFTD-UHFFFAOYSA-N	300.336	2.078	70	20	DEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@@H](C2CCCC2)C1	1262787835	KFLBLUFDBNYIQK-LLVKDONJSA-N	314.382	2.325	70	20	DEID	
CCOC1CC2(C1)C[C@H]2Nc1ccc(S(=O)(=O)F)cn1	1550640194	BKZRSJSWETZQHA-DMLGSKKGSA-N	300.355	2.109	70	20	DEID	
CCc1ncc(NC(=O)NCc2ccc(OC)cc2OC)cn1	161189046	NOMHVYBOENSCNA-UHFFFAOYSA-N	316.361	2.378	70	20	DEID	
COCC(C)(C)C(=O)Nc1ccc(N2CCCC2=O)c(OC)c1	161241541	PFYNDAYUEOUETB-UHFFFAOYSA-N	320.389	2.433	70	20	DEID	
CC(C)(C)OC(=O)CCN1CCC[C@@H](c2nnc3n2CCC3)C1	161394720	MUZAEXUVHXCLPE-CYBMUJFWSA-N	320.437	2.136	70	20	DEID	
CN(Cc1cccn1C)C(=O)c1ncccc1OCC(F)F	160396240	WXCNNWSMSPFZMK-UHFFFAOYSA-N	309.316	2.336	70	20	DEID	
CN[C@H]1CCN(C(=O)c2cccnc2Nc2ccccc2F)C1	160469314	WLSNRXWXXNBFBW-LBPRGKRZSA-N	314.364	2.398	70	20	DEID	
COc1cc(CCC(=O)NOCc2cccnc2)cc(OC)c1	160770427	WIMGBDFPGXFECP-UHFFFAOYSA-N	316.357	2.279	70	20	DEID	
CN(C[C@@H](O)C1CC1)[C@@H]1CCN(c2cccc(Cl)c2)C1=O	160794809	LTVUSJLCVFEMEZ-HUUCEWRRSA-N	308.809	2.148	70	20	DEID	
COc1cccc(CN(Cc2nncn2C)C[C@@H]2CCCO2)c1	160855424	LSDJMKNZXWDNNA-INIZCTEOSA-N	316.405	2.005	70	20	DEID	
O=C(CC1CCCC1)NCC(=O)N(Cc1ccncc1)C1CC1	160877385	GWWRZAWHILOIRI-UHFFFAOYSA-N	315.417	2.269	70	20	DEID	
CN(C)[C@@H](C(=O)N1CCC(NCC2CC2)CC1)c1ccccc1	159802610	OKODVDNSSNZNNM-GOSISDBHSA-N	315.461	2.280	70	20	DEID	
Cc1c(C(=O)N2CCN(CC3CC3)CC2)cnn1CC(C)C	159482647	GHMRXXXDMVZNFN-UHFFFAOYSA-N	304.438	2.015	70	20	DEID	
CCCCNC(=O)CN1CCO[C@]2(CCc3ccccc32)C1	159549205	FRAVKZREKMCLRV-GOSISDBHSA-N	302.418	2.077	70	20	DEID	
CC(C)(C)NC(=O)CNC(=O)CNc1cccc2ccccc12	161053607	PEAYQNSHHKGIFG-UHFFFAOYSA-N	313.401	2.283	70	20	DEID	
Cc1ccc([C@]2(C)NC(=O)N(Cc3nccs3)C2=O)cc1	161125557	ZNIKWIKLGYCUPH-HNNXBMFYSA-N	301.371	2.419	70	20	DEID	
CCOC(=O)CCCCN1CCC([C@H](O)C(F)(F)F)CC1	161458807	ZVHSXNQUUJNQGG-ZDUSSCGKSA-N	311.344	2.355	70	20	DEID	
O=C(NCC1(C2CC2)CC1)c1ccc(=O)n(Cc2ccccc2)n1	160002289	YQGJFWSASJXIBD-UHFFFAOYSA-N	323.396	2.212	70	20	DEID	
CC(C)CCn1ccc(NC(=O)N(C)CCn2cccn2)n1	160049951	WCINNOSJEBZQJB-UHFFFAOYSA-N	304.398	2.290	70	20	DEID	
O=C(Nc1ccc(O[C@H]2CCOC2)cc1)NC1CCC(O)CC1	160161954	QEBDTNVLMLPJSP-PXCJXSSVSA-N	320.389	2.279	70	20	DEID	
COC[C@@H](NC(=O)Nc1cnn(Cc2ccccc2)c1)C1CC1	160483480	NNIRFHPJONIFHU-MRXNPFEDSA-N	314.389	2.478	70	20	DEID	
CSc1ccccc1C(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1	160566014	TXEHKRMFFXQNNW-WCQYABFASA-N	304.415	2.149	70	20	DEID	
C[C@@H](C(=O)NCc1ccccc1Cl)N(C)C[C@H](O)C1CC1	160864995	ZPTJAYLBHRRMMO-NHYWBVRUSA-N	310.825	2.047	70	20	DEID	
O=C(CC1CCCCC1)NCC(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21	159889100	JKBITICMUCEZOE-OAGGEKHMSA-N	322.449	2.147	70	20	DEID	
CCNC(=O)N1CCN(C(=O)c2ccc(Cl)cc2C)CC1	159744003	KRDWCOIPXMUGEH-UHFFFAOYSA-N	309.797	2.136	70	20	DEID	
C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N(C)C[C@@H](C)O	159364194	VXROTQLJCFPNJO-ZJUUUORDSA-N	304.312	2.345	70	20	DEID	
C[C@@H]1CN(S(=O)(=O)c2ccccc2C(F)(F)F)CC[C@@H]1O	159377054	CUGJCGGWNXBIIW-KOLCDFICSA-N	323.336	2.097	70	20	DEID	
OC1(CNc2ncc(Cl)cc2Br)CCOCC1	159616791	GTEIQFQBMGTRQY-UHFFFAOYSA-N	321.602	2.451	70	20	DEID	
CCCC[C@@H](COC)NC(=O)c1ccc(S(=O)(=O)F)cc1	865207471	JVHFKDNWHIPNTH-LBPRGKRZSA-N	317.382	2.280	70	20	DEID	
O=C(Nc1ccc(F)c(CS(=O)(=O)F)c1)[C@@H]1CCSC1	876319384	VIZDTLWIXNKBIG-MRVPVSSYSA-N	321.370	2.317	70	20	DEID	
CC(C)N(CC(F)F)C(=O)Cc1ccc(S(=O)(=O)F)cc1	1121172512	WZIQVIHENZFCSI-UHFFFAOYSA-N	323.336	2.389	70	20	DEID	
O=C(NCc1ccc(F)cc1)c1cccc(S(=O)(=O)F)c1	1336413704	OICWOZBHDWFQGB-UHFFFAOYSA-N	311.309	2.414	70	20	DEID	
CCC1(CC)CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1351578794	ONQJRMFDEQPCMT-UHFFFAOYSA-N	302.371	2.325	70	20	DEID	
Cc1[nH]c2ccccc2c1CCNC(=O)C[C@@H]1COC(=O)C1	161141055	YPJWRCCMYHNRJJ-LBPRGKRZSA-N	300.358	2.088	70	20	DEID	
Cc1ccccc1CC(=O)N1CCN(CCOCC2CC2)CC1	160028787	RGJBULRFICJDEU-UHFFFAOYSA-N	316.445	2.108	70	20	DEID	
O=C(CCC1CCCC1)Cn1c(-c2ccccn2)noc1=O	160365116	NYAXDTLPUBEWKR-UHFFFAOYSA-N	301.346	2.438	70	20	DEID	
CCCCN(CC)C(=O)Cc1cccc(OCC(=O)NC)c1	160610157	LOZKPEMUEBPOPX-UHFFFAOYSA-N	306.406	2.003	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)c1ccc(OC(F)F)cc1	160663978	JYTITXNPQWBLTD-SECBINFHSA-N	301.289	2.360	70	20	DEID	
CCc1ccc([C@H](COC)NC(=O)N2CCCN(CC)CC2)o1	159906586	FKKHQVZKGQBACL-HNNXBMFYSA-N	323.437	2.267	70	20	DEID	
COc1ccccc1NC(=O)N1CCC(Cn2ccnn2)CC1	159729390	UIXWNXHAPFECFC-UHFFFAOYSA-N	315.377	2.231	70	20	DEID	
C=CCN(C(=O)c1ccc(S(=O)(=O)F)cc1)[C@@H](C)COC	864243602	PAISPGISVMCEEV-NSHDSACASA-N	315.366	2.008	70	20	DEID	
CO[C@H](C)[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)ccc1Cl	1337449319	OXAUPUQWROYRON-HTQZYQBOSA-N	323.773	2.151	70	20	DEID	
O=C(NC[C@@H]1CCC[C@@H]1C1CC1)c1cc(S(=O)(=O)F)c[nH]1	1354886179	SIXJSNJMHASEEO-CMPLNLGQSA-N	314.382	2.229	70	20	DEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@@H]2CCCC[C@H]2C1	1527390939	ANSILMIITSOPHA-QWRGUYRKSA-N	314.382	2.325	70	20	DEID	
CC[C@H](Nc1ccc(N2CCC(CN(C)C)CC2)cc1)C(N)=O	161188675	WXYKGBKBMGMWCX-KRWDZBQOSA-N	318.465	2.140	70	20	DEID	
C[C@H](NC(=O)Nc1ccn(CC(F)(F)F)n1)c1cnn(C)c1	160344981	YCMMLMJSKAOLCL-QMMMGPOBSA-N	316.287	2.062	70	20	DEID	
COc1c(C)cc(S(=O)(=O)Nc2[nH]nc(C)c2C)cc1C	160478410	YBLLXZSQLJVXPD-UHFFFAOYSA-N	309.391	2.453	70	20	DEID	
COc1ccc(OCC(=O)NC[C@H]2CCCN2CC(C)C)cc1	160537851	HYDMFQFAQUKVBA-OAHLLOKOSA-N	320.433	2.311	70	20	DEID	
CN[C@H]1CCN(C(=O)c2ccc(OCC(C)C)c(OC)c2)C1	160600277	NHIVAJGILABIAW-AWEZNQCLSA-N	306.406	2.164	70	20	DEID	
COc1ccc(CCC(=O)N[C@H](CCO)C(C)C)cc1OC	160611035	METLIAVDMYSRHD-CQSZACIVSA-N	309.406	2.160	70	20	DEID	
COc1ccc(/C=C/C(=O)NOCc2cccnc2)cc1OC	160744013	DVGPCTZYOPYNCC-SOFGYWHQSA-N	314.341	2.360	70	20	DEID	
CNC(=O)C(C)(C)CNC(=O)[C@@H](C)Cc1ccc(Cl)cc1	160826345	YMTZQUFHBRSUDE-NSHDSACASA-N	310.825	2.407	70	20	DEID	
CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N(C)C[C@@H]2CCCCO2)C1	160834268	MJUONVZAAFHGSG-JYJNAYRXSA-N	324.465	2.299	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)c1ncoc1-c1ccccc1	160878641	UYVJYFFMQQULMO-LLVKDONJSA-N	302.330	2.413	70	20	DEID	
CC(=O)N1CCC[C@@H](C(=O)N[C@H]2CCOC3(CCCCC3)C2)C1	160889362	KKTPJUCYKZEQFI-CVEARBPZSA-N	322.449	2.243	70	20	DEID	
CCNC(=O)CN(CC)C(=O)c1cncc(-c2ccccc2)c1	160913286	RURJNILTPAUCNZ-UHFFFAOYSA-N	311.385	2.347	70	20	DEID	
CC(C)n1cc([C@@H](C)N[C@@H](C(N)=O)c2ccc(F)cc2)cn1	159847561	FHIXOHLNPBQOTE-IAQYHMDHSA-N	304.369	2.480	70	20	DEID	
Cc1onc(-c2ccccn2)c1C(=O)Nc1c[nH]c(=O)c(C)c1	159489770	KPHOKKVIBBFDSV-UHFFFAOYSA-N	310.313	2.294	70	20	DEID	
CCCCn1ncc(NC(=O)N2CCC[C@@H](NC(C)=O)C2)c1C	159897686	ZBKYBJILQHNFDX-CQSZACIVSA-N	321.425	2.124	70	20	DEID	
COC[C@H](O)CNC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl	159533621	ROSBNEDLMDTSQT-IEBDPFPHSA-N	318.200	2.220	70	20	DEID	
C[C@@H](NC(=O)c1ccoc1)C(=O)N[C@H]1CCOC2(CCCC2)C1	159974516	LQBVOWGGWGVCKE-OCCSQVGLSA-N	320.389	2.006	70	20	DEID	
O=C(NCC1(C2CC2)CC1)N[C@@H]1CCN(CC(F)(F)F)C1	159780885	JIXHEHNWUWVFKR-LLVKDONJSA-N	305.344	2.112	70	20	DEID	
CNS(=O)(=O)c1cccc([C@@H](C)N[C@H]2CCCSC2)c1	159597485	BNACSXSNQRFQDJ-YPMHNXCESA-N	314.476	2.141	70	20	DEID	
COc1ccccc1-c1nc(C(=O)NCC(C)(C)N)cs1	159999625	VRQOUPBASCCVEE-UHFFFAOYSA-N	305.403	2.286	70	20	DEID	
COc1ncccc1NC(=O)c1cccc(S(=O)(=O)F)c1	1262673082	YICKQJSDLNLGQF-UHFFFAOYSA-N	310.306	2.001	70	20	DEID	
CC1(NS(=O)(=O)c2ccc3c(c2)CCCC3)CCOCC1	161013294	DDWVHGXQOOWTHY-UHFFFAOYSA-N	309.431	2.413	70	20	DEID	
CC1(NC(=O)NCCCNC(=O)c2ccc(F)cc2)CCC1	161110645	RARZKISEWCSJKO-UHFFFAOYSA-N	307.369	2.187	70	20	DEID	
CCc1n[nH]c(-c2ccccc2NC(=O)c2cnc(C)cn2)n1	161251448	ZDCVOJBBHLFKCQ-UHFFFAOYSA-N	308.345	2.385	70	20	DEID	
O=C(Nc1cccnc1Cl)N1CCC(Cn2ccnn2)CC1	161270552	RKSHVVQPROAFTD-UHFFFAOYSA-N	320.784	2.271	70	20	DEID	
CC(C)Cc1noc(CN2CCC([C@@H](O)C(F)(F)F)CC2)n1	161372465	AKVJIFGKMDLBIF-CYBMUJFWSA-N	321.343	2.403	70	20	DEID	
CCOCCC1(CNC(=O)N[C@@H](C)C(C)(C)CN(C)C)CC1	160029904	ZIZNHGXTBZZJFB-AWEZNQCLSA-N	313.486	2.469	70	20	DEID	
COCc1nc(C)c(C(=O)N(C[C@@H]2CCOC2)C2CC2)s1	160071548	BNBWJVDVVXECRE-NSHDSACASA-N	310.419	2.239	70	20	DEID	
CCN(CCS(C)(=O)=O)C(=O)Nc1ccc2c(c1)CCC2	160088249	MSYPRDBCODCGEQ-UHFFFAOYSA-N	310.419	2.074	70	20	DEID	
COc1cc(F)c(NC(=O)C(=O)N2CCC3(CCC3)C2)cc1F	159422772	WVLOZGNXVZDEJH-UHFFFAOYSA-N	324.327	2.315	70	20	DEID	
CCOC(=O)CN(C)C[C@@H](O)COc1ccc(C(C)(C)C)cc1	159517324	VGOPGMZGXIKYSY-OAHLLOKOSA-N	323.433	2.219	70	20	DEID	
CC(=O)N[C@H](C)C(=O)N[C@H](c1cccc(C)c1)c1ccccn1	159776612	SXTOOOVAYVWRMM-CXAGYDPISA-N	311.385	2.120	70	20	DEID	
Cc1cc(F)c(S(=O)(=O)N(C)[C@@H]2CCSC2)cc1F	159396503	CKTHWMRAJFBNJF-SECBINFHSA-N	307.387	2.399	70	20	DEID	
CC(C)[C@H](CCO)NC(=O)[C@H]1CCCN(Cc2ccccc2)C1	160728782	XJWXIOCIUVSJSU-ROUUACIJSA-N	318.461	2.422	70	20	DEID	
Nc1cc(Cl)ccc1C(=O)OCc1nnc2n1CCCC2	217322760	DOMLITMVYPHOJB-UHFFFAOYSA-N	306.753	2.207	70	20	DEID	
C[C@H](Cc1ccccn1)NC(=O)c1ccc(S(=O)(=O)F)cc1	864244072	KDOFTNACRZHNBP-LLVKDONJSA-N	322.361	2.101	70	20	DEID	
CO[C@@H]1CC[C@H](OC(=O)c2ccc(S(=O)(=O)F)cc2)C1	890422040	PRGTXSYXXYOVQS-MNOVXSKESA-N	302.323	2.069	70	20	DEID	
CSC[C@](C)(O)CNCc1csc(-c2ccccn2)n1	217865007	MAAZACQXBYUEGU-CQSZACIVSA-N	309.460	2.409	70	20	DEID	
C[C@H](CO)N(C)S(=O)(=O)c1ccc(Cl)c2ccccc12	161279413	SHKHVQWUQGPAOZ-SNVBAGLBSA-N	313.806	2.495	70	20	DEID	
Cc1ccccc1CNC(=O)CSc1ncnc2[nH]cnc12	161359628	WCZBUIKQQVJMRJ-UHFFFAOYSA-N	313.386	2.070	70	20	DEID	
CC(C)c1cccc(OCC(=O)NCCSCCCO)c1	161447146	MPALPBJWTICSJV-UHFFFAOYSA-N	311.447	2.421	70	20	DEID	
CN(c1ccccc1NC(=O)c1ccc(F)cc1)S(C)(=O)=O	161500671	STWSFAQFUNVJTG-UHFFFAOYSA-N	322.361	2.474	70	20	DEID	
Cc1ccc(S(=O)(=O)NC[C@@H](O)c2cccc(F)c2)cc1C	160088493	YJXCHXDABPOIPA-MRXNPFEDSA-N	323.389	2.454	70	20	DEID	
CNC(=O)c1ccc(NC(=O)c2cc(OC)ccn2)c(Cl)c1	160261036	GDXDADRASKOLCM-UHFFFAOYSA-N	319.748	2.356	70	20	DEID	
O=C(NCC1(CO)CCCC1)[C@@H]1Cc2cc(Cl)ccc2O1	160302897	ZWWMXIBVHQRFSC-AWEZNQCLSA-N	309.793	2.312	70	20	DEID	
O=C1CCCC[C@H]1[C@@H]1COCCN1C(=O)c1ccc(F)cc1	160496295	CGSDDMLDQZVFIB-GJZGRUSLSA-N	305.349	2.426	70	20	DEID	
CNC(=O)c1ccc(CNC(=O)c2ccc(C(C)C)nc2)cc1	160934539	ROKCRUFGINBWEW-UHFFFAOYSA-N	311.385	2.495	70	20	DEID	
CC(C)(CCC#N)CNC(=O)c1cccc(S(=O)(=O)F)c1	1121095822	UUONAOGODKPTAL-UHFFFAOYSA-N	312.366	2.405	70	20	DEID	
CCOC(=O)c1ccc(CN2CCCC[C@H]2C(=O)OCC)o1	161278894	KUPBHUWKJJZPSB-ZDUSSCGKSA-N	309.362	2.374	70	20	DEID	
N[C@H]1CCC[C@@H](NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)C1	161310512	WUMSBWMRYZXMMZ-UONOGXRCSA-N	311.385	2.042	70	20	DEID	
COCCN(Cc1ncc(-c2ccccc2)s1)[C@@H](C)C(N)=O	160031847	ZVCSXMOYOVMYPA-LBPRGKRZSA-N	319.430	2.132	70	20	DEID	
NC(=O)NC1(C(=O)N(Cc2ccco2)Cc2cccs2)CC1	160048284	PAPRQZMUMVHLMX-UHFFFAOYSA-N	319.386	2.071	70	20	DEID	
CCC1=NN(C)C(=O)[C@@H]1C(=O)Nc1ccc(Br)cc1	160126683	GVXLFDGUZBPRET-NSHDSACASA-N	324.178	2.242	70	20	DEID	
COC(=O)Cc1nnc(NC(=O)CC[C@@H](C)c2ccccc2)[nH]1	160310569	GCXZBSGTGZCMHW-LLVKDONJSA-N	316.361	2.043	70	20	DEID	
COc1ccc(NC(=O)N(C)CCNC(=O)C(C)C)c(C)c1	160372891	UIGQDWIUOBQUHF-UHFFFAOYSA-N	307.394	2.240	70	20	DEID	
CC[C@H](NC(=O)[C@@H](C)Sc1nncn1C)c1c(C)noc1C	160402619	JNRKXUIMZGLTAF-MNOVXSKESA-N	323.422	2.168	70	20	DEID	
CC(C)CN1CCC[C@@H]1CNC(=O)Cn1ncc2ccccc21	160495325	BSVVGSWRGQGAIW-MRXNPFEDSA-N	314.433	2.273	70	20	DEID	
Cn1nnc2cc(C(=O)N[C@@H]3CCCc4sccc43)cnc21	160496526	XPUPCZKBEDRHQZ-LLVKDONJSA-N	313.386	2.232	70	20	DEID	
CC[C@@H](NC(=O)Nc1ccc(CC(=O)NC)cc1)[C@H]1CCCO1	160497394	YTCUQGWUOQTSFX-HUUCEWRRSA-N	319.405	2.054	70	20	DEID	
CCc1onc(C)c1NC(=O)Nc1ccn(CCCOC)n1	160588635	VPLZHCBQXFYJAE-UHFFFAOYSA-N	307.354	2.422	70	20	DEID	
COCCCOc1ccc(C(=O)N(C)Cc2cccn2C)cn1	160637125	BRMKLJAIMRUIBS-UHFFFAOYSA-N	317.389	2.108	70	20	DEID	
O=C1CC[C@@H]2CN(C(=O)c3cccc(F)c3Cl)CC[C@@H]2N1	160663343	QMEMTWOOQGMYFJ-SKDRFNHKSA-N	310.756	2.220	70	20	DEID	
Cc1c(/C=C/C(=O)Nc2nnc(CC(C)C)s2)cnn1C	160749299	PUHCMJDNWBFICR-AATRIKPKSA-N	305.407	2.430	70	20	DEID	
CSc1ccc(NC(=O)[C@@H](C)N(C)C[C@H](O)C2CC2)cc1	160788950	ACZWPHCKJSEIMQ-ABAIWWIYSA-N	308.447	2.438	70	20	DEID	
O=C(NCCNC(=O)c1ccccc1F)NCC1(C2CC2)CC1	160789090	LSRPGLJYMPAVFC-UHFFFAOYSA-N	319.380	2.045	70	20	DEID	
Cc1ccc(C)c(-n2ncc(NC(=O)N[C@H](C)CO)c2C)c1	160819075	JGEKACMFDIVSQI-GFCCVEGCSA-N	302.378	2.300	70	20	DEID	
Cc1cc(NC(=O)[C@@H]2CSCN2)ccc1OC1CCOCC1	160938501	NVRGMBKRGYHYFL-AWEZNQCLSA-N	322.430	2.154	70	20	DEID	
CCN1CCN(CCCNC(=O)[C@H](C)c2cccc(C)c2)CC1	159808583	ISTRAKACSDOADQ-QGZVFWFLSA-N	317.477	2.242	70	20	DEID	
CCN1CCCN(C(=O)NC[C@H](C)Oc2ccccc2C)CC1	159919357	WYKGOUMMYPKEMQ-INIZCTEOSA-N	319.449	2.500	70	20	DEID	
CCC[C@@H]1CN(C(=O)NCc2cccc(OC)c2OC)CCO1	159957942	VBMUOXORMXGFMK-CQSZACIVSA-N	322.405	2.414	70	20	DEID	
CCOC(=O)CCc1ccc(NC(=O)NC[C@H]2CCOC2)cc1	159575610	ARTWBVNZRGQWGK-CQSZACIVSA-N	320.389	2.340	70	20	DEID	
CCN(C(=O)CCNC(C)C)[C@H]1CCN(c2ccccc2)C1=O	159771337	WEOKZHCDILFGCR-INIZCTEOSA-N	317.433	2.029	70	20	DEID	
CC(C)N1C[C@@H](NC(=O)NCc2ccccc2Cl)CC1=O	217288004	AEIIDVSSRWXGTF-LBPRGKRZSA-N	309.797	2.149	70	20	DEID	
C[C@@H]1CC[C@H](CC(=O)Nc2ccc(S(=O)(=O)F)cc2)O1	460091193	JICHYPSGXYEXRV-MWLCHTKSSA-N	301.339	2.241	70	20	DEID	
C#C[C@@H](CC)Nc1ccc([N+](=O)[O-])cc1CS(=O)(=O)F	882251685	QQVOBRKUDZVKHD-JTQLQIEISA-N	300.311	2.218	70	20	DEID	
CC[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@@H]1CC1(C)C	1338818144	RXKLFGUONHQEPD-VHSXEESVSA-N	302.371	2.227	70	20	DEID	
CCC[C@@]1(NC(=O)c2cccc(S(=O)(=O)F)c2)CCOC1	1517974548	GYUXBWKCEXPNQH-CQSZACIVSA-N	315.366	2.034	70	20	DEID	
Cc1ccc(C)c(NC(=O)Cn2c(-c3cccnc3)noc2=O)c1	161286626	NWUQJJXCOLQNKS-UHFFFAOYSA-N	324.340	2.154	70	20	DEID	
CN(CC1CCN(C(=O)C(C)(C)C)CC1)C[C@@H](O)C(F)(F)F	161403396	PZHHIILHXGXLKX-GFCCVEGCSA-N	324.387	2.126	70	20	DEID	
C[C@@H](Cc1cccs1)NC(=O)CNC(=O)CC1CCCC1	160003879	SWVBEYDQZGKYCF-LBPRGKRZSA-N	308.447	2.492	70	20	DEID	
CCN1CCCN(C(=O)N[C@@H]2CCOC3(CCCC3)C2)CC1	160012326	JWWNBELABRQFDB-OAHLLOKOSA-N	309.454	2.215	70	20	DEID	
CCCOc1ccc(/C=C/C(=O)NCC(C)(C)N)cc1OC	160059736	AFAJWKWKSPTXHX-VQHVLOKHSA-N	306.406	2.351	70	20	DEID	
CC[C@H](C)c1cc(C(=O)N2CCC(c3nncn3C)CC2)on1	160107385	WKDGFMNYWDONOV-NSHDSACASA-N	317.393	2.336	70	20	DEID	
COCCN(CC(F)F)C(=O)COc1cc(C)ccc1F	160378498	DTSSFZSLYQWHDV-UHFFFAOYSA-N	305.296	2.253	70	20	DEID	
CC1(C)C[C@@H]1C(=O)NCc1cccc(NC(=O)[C@H]2CCCO2)c1	160379989	ADJWVWQWDHRIGV-HUUCEWRRSA-N	316.401	2.466	70	20	DEID	
CCOC(=O)c1c(C)oc2nc(CN(CC)C3CC3)nc(N)c12	160531825	WWAITDAHVTYTMQ-UHFFFAOYSA-N	318.377	2.274	70	20	DEID	
Cc1cc(-n2cncn2)ccc1C(=O)N(C)Cc1cccn1C	160830074	GHKGSONFDYASGE-UHFFFAOYSA-N	309.373	2.186	70	20	DEID	
CC(C)=CCC[C@H](C)NCc1ccc(C(=O)NCC(N)=O)cc1	160974252	DLTYPOQCBVLRFL-AWEZNQCLSA-N	317.433	2.126	70	20	DEID	
O=C(CC1CCCC1)NCC(=O)N[C@@H]1CCOC2(CCCC2)C1	159617025	ZRQLJAAPGZERGF-OAHLLOKOSA-N	322.449	2.291	70	20	DEID	
Cc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@H]1CCCCO1	159937886	SPAZJLJBBSRJCW-QGZVFWFLSA-N	317.433	2.254	70	20	DEID	
COc1cc(CNC(=O)N[C@H]2CCO[C@@H](C3CC3)C2)ccc1O	159540261	IIMLIDGDCQNADP-DZGCQCFKSA-N	320.389	2.158	70	20	DEID	
CCCCN(CC)c1ccc(C(=O)NCc2nncn2C)cc1	159945210	DRGKDIFYZNWKSA-UHFFFAOYSA-N	315.421	2.372	70	20	DEID	
CC(=O)N1CC[C@@H](NC(=O)C2(c3ccccc3)CCCC2)C1	159769754	CKUFSGGNEGNVDO-MRXNPFEDSA-N	300.402	2.235	70	20	DEID	
COc1ccc(-c2cncc(C(=O)NCCn3ccnc3)c2)cc1	159788698	NSDPLBGAMCIZJS-UHFFFAOYSA-N	322.368	2.384	70	20	DEID	
CNC(=O)CCCN(C)C(=O)Nc1ccc(OC)c(Cl)c1	159995304	NGUVXJQZQQJWGO-UHFFFAOYSA-N	313.785	2.339	70	20	DEID	
CSC[C@](C)(O)CNC(=O)CCc1c[nH]c2ccccc12	217715063	WTRGWUDYZZKRIN-MRXNPFEDSA-N	306.431	2.331	70	20	DEID	
O=C(CCc1ccc(S(=O)(=O)F)cc1)N1CCC[C@H](F)C1	1262801771	FMKIQCVHMCDORD-LBPRGKRZSA-N	317.357	2.238	70	20	DEID	
O=S(=O)(F)c1ccc(NC[C@]23CCC[C@H]2OCC3)nc1	1551190419	AEDIFXNFFUCESS-DGCLKSJQSA-N	300.355	2.111	70	20	DEID	
CC(=O)N[C@H](C(=O)N1CCc2c(F)cccc2C1)C1CCCC1	161068195	HXWLZSAVAXCGQC-KRWDZBQOSA-N	318.392	2.405	70	20	DEID	
C[C@H](NCc1ccccc1CN1CCC(O)CC1)[C@@H]1CCOC1	161160561	SURFSSBKOJOUTP-MAUKXSAKSA-N	318.461	2.158	70	20	DEID	
CC[C@@H](NC(=O)c1cccc(-c2ncn[nH]2)c1)[C@H]1CCCO1	161427532	OXRONQISDUBQPF-ZIAGYGMSSA-N	300.362	2.159	70	20	DEID	
CN(C)c1cccc(C(=O)N[C@@H]2CCN(c3ccccn3)C2)c1	161441904	KLXCGMYKFDZILA-OAHLLOKOSA-N	310.401	2.156	70	20	DEID	
CC[C@H](C)c1cc(C(=O)N2CCC[C@H](c3nncn3C)C2)on1	160337606	CRQZJEUKCACIQV-RYUDHWBXSA-N	317.393	2.336	70	20	DEID	
CN(C)C[C@H]1CCN(C(=O)Cc2cc(F)c(F)cc2F)C1	160370409	XUGJASHSTYMDRZ-SNVBAGLBSA-N	300.324	2.057	70	20	DEID	
COCCc1nsc(N2CCN(c3cccs3)CC2)n1	160665631	JYEDUGJMYYRKCR-UHFFFAOYSA-N	310.448	2.115	70	20	DEID	
Cc1ccc(-n2nnnc2SCc2nnc(C)n2C)c(C)c1	160917281	JASSQHMCOCAPCI-UHFFFAOYSA-N	315.406	2.008	70	20	DEID	
Cc1nnc(-c2ccc(C(=O)NCc3ccccc3CO)cc2)o1	160933384	ZWMNEQJYCSGFLS-UHFFFAOYSA-N	323.352	2.467	70	20	DEID	
COC(=O)c1cccc(OCc2noc(C3CCOCC3)n2)c1	160976903	VLXADTPLLFBQLD-UHFFFAOYSA-N	318.329	2.329	70	20	DEID	
CC[C@@H]1CCN(C(=O)N[C@@H]2CCN(C3CCCCC3)C2=O)C1	159438390	NZFOVTGPBXCCSB-UKRRQHHQSA-N	307.438	2.362	70	20	DEID	
COc1cc([C@H](F)CS(=O)(=O)Cl)cc(OC)c1OC	1537958612	GABPHKQFFFOXJW-MRVPVSSYSA-N	312.746	2.292	70	20	DEID	
CN(C)c1cc(NC(=O)c2cccc(S(=O)(=O)F)c2)ccn1	1121031652	ADOQAWQEAYAWOD-UHFFFAOYSA-N	323.349	2.058	70	20	DEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC[C@@H]1C1CCC1	1351024880	ZILFABOALNFQOD-GFCCVEGCSA-N	300.355	2.078	70	20	DEID	
COCCCCNC(=O)c1cc(S(=O)(=O)F)ccc1Cl	1354312514	DRVQPVOXSIFQTF-UHFFFAOYSA-N	323.773	2.155	70	20	DEID	
CC(=O)Nc1nc(C(=O)N2CCc3c(F)cccc3C2)cs1	161026742	QRHATPLINLAQJM-UHFFFAOYSA-N	319.361	2.439	70	20	DEID	
CCN(CC(=O)N(C)[C@H]1CCCC[C@@H]1C)Cc1cnn(C)c1	161126117	ULJXKDSURQJQBO-HOCLYGCPSA-N	306.454	2.279	70	20	DEID	
CNC[C@@H]1CCCN1C(=O)[C@@H]1COc2ccc(Cl)cc2C1	161161110	LZVRTJJMBNNUBG-JSGCOSHPSA-N	308.809	2.102	70	20	DEID	
CCN(CC)[C@H](CNC(=O)N1CCC[C@@](C)(O)C1)c1ccco1	161212289	IDVCZXLZYALJEI-RHSMWYFYSA-N	323.437	2.219	70	20	DEID	
Cc1cccc(CCNC(=O)Nc2ccc3c(c2)C(=O)NC3=O)c1	160017093	SNUYMPOGKLYODU-UHFFFAOYSA-N	323.352	2.243	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)C[C@@H]1OCCc2ccccc21	160167614	SCLZBNOKGUOHOF-WFASDCNBSA-N	305.374	2.148	70	20	DEID	
CN(C)CCN(C(=O)c1cnc2c(c1)ncn2C)c1ccccc1	160269435	ZISNVKCWAYLUIX-UHFFFAOYSA-N	323.400	2.177	70	20	DEID	
COC(=O)c1cccc(CC(=O)N(C)c2ccc(OC)nc2)c1	160441490	HIHVGSZDCHDOBM-UHFFFAOYSA-N	314.341	2.082	70	20	DEID	
CC[C@@H](C)[C@@H](O)CNC(=O)COc1ccc2c(c1)CCCC2	160449352	IBSUGWZCPSCSOZ-DYVFJYSZSA-N	305.418	2.467	70	20	DEID	
CCN(Cc1ccc2c(c1)CC(C)(C)O2)[C@H]1CCS(=O)(=O)C1	160552634	OMUUIJOLUZUKFG-HNNXBMFYSA-N	323.458	2.409	70	20	DEID	
O=C1CC[C@@H]2CN(C(=O)c3cccc(Cl)c3F)CC[C@H]2N1	160557922	IQNJYKAEIGEWTE-BXKDBHETSA-N	310.756	2.220	70	20	DEID	
CC[C@@H](NC(=O)CCNC(=O)c1ccco1)c1c(C)noc1C	160580056	OFMIHKRFFQFGCI-GFCCVEGCSA-N	319.361	2.272	70	20	DEID	
CC[C@H](C(=O)NCc1ccccc1-n1nc(C)cc1C)N(C)C	159414859	AUPFZPCBCFRZHG-MRXNPFEDSA-N	314.433	2.446	70	20	DEID	
COCCC1(C(=O)Nc2nc3c(s2)CN(C)CC3)CCC1	159632384	KRBYWVSPDFMGMS-UHFFFAOYSA-N	309.435	2.276	70	20	DEID	
CC1=C(C(=O)Nc2ccc(S(=O)(=O)F)cc2)SCCO1	297964078	PPEXAVPXGFREMZ-UHFFFAOYSA-N	317.363	2.278	70	20	DEID	
COCCCCCNC(=O)c1ccc(S(=O)(=O)F)cc1C	1348790058	HSBVWRLEQMOWEF-UHFFFAOYSA-N	317.382	2.200	70	20	DEID	
O=S(=O)(F)c1ccc(NC[C@]23C[C@@H]2COC32CCC2)nc1	1551208199	HGRDDLPREKNUHY-ZWNOBZJWSA-N	312.366	2.111	70	20	DEID	
Cc1ccc(CN2CCN(C(=O)[C@H]3CCCO3)CC2)cc1C	161016053	FLMUXGCQIOYCDT-QGZVFWFLSA-N	302.418	2.127	70	20	DEID	
C[C@H](CCO)CNC(=O)c1cccc(NC(=O)c2ccco2)c1	161073346	PFDVQYQWTREFHI-GFCCVEGCSA-N	316.357	2.280	70	20	DEID	
Cc1noc(C)c1C[C@H](C)NC(=O)N(C)Cc1cccn1C	161162388	SNSDEMDOOPDICL-NSHDSACASA-N	304.394	2.403	70	20	DEID	
CC[C@@H](Nc1ccc(N2CCC(CN(C)C)CC2)cc1)C(N)=O	161188784	WXYKGBKBMGMWCX-QGZVFWFLSA-N	318.465	2.140	70	20	DEID	
CC1(O)CCN(CC(=O)Nc2cccc3c2N=S=N3)CC1	161225412	HNEQCWOZKVHJGS-UHFFFAOYSA-N	306.391	2.198	70	20	DEID	
O=c1onc(-c2cccnc2)n1Cc1cccc2cccnc12	161278177	ORWQRYXRVUEGID-UHFFFAOYSA-N	304.309	2.495	70	20	DEID	
CCOCc1ccc(NC(=O)N2CCC[C@H](CC(N)=O)C2)cc1	161466230	BJLINLQVGROFFH-CQSZACIVSA-N	319.405	2.342	70	20	DEID	
CCN1CCCN(C(=O)N[C@H]2CCOC3(CCCC3)C2)CC1	160012462	JWWNBELABRQFDB-HNNXBMFYSA-N	309.454	2.215	70	20	DEID	
CCN1CCC[C@H]1CNC(=O)C(F)(F)c1ccc(OC)cc1	160332607	XIDAUIROWXPPQY-ZDUSSCGKSA-N	312.360	2.388	70	20	DEID	
CCc1n[nH]c(=O)c(CNC(=O)N(C)C2CCCCC2)c1CC	160457200	GMDKPQWCSJCVRG-UHFFFAOYSA-N	320.437	2.369	70	20	DEID	
C[C@H](CC(=O)NCC1CCN(CCO)CC1)C1CCCCC1	160533641	OKLNMOYCEYDUHU-OAHLLOKOSA-N	310.482	2.413	70	20	DEID	
COC(=O)Nc1cccc(C(=O)N(C)Cc2cccn2C)c1	160561203	YRUBLGWXGIYPGZ-UHFFFAOYSA-N	301.346	2.476	70	20	DEID	
CC(C)[C@H](CCO)NC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2	160574478	ACNUNQIBUVAFDX-JQWIXIFHSA-N	322.430	2.256	70	20	DEID	
Cc1ccccc1CCNC(=O)Cn1cnc(C(C)C)cc1=O	160685092	MIHQLKJIDDTUNE-UHFFFAOYSA-N	313.401	2.034	70	20	DEID	
CCOc1ccc(NC(=O)[C@@H](C)N(C)C[C@H](O)C2CC2)cc1	160743339	SAGZRPKTDWZWFQ-WBMJQRKESA-N	306.406	2.115	70	20	DEID	
COC(=O)C[C@H]1CSCCN1C(=O)C[C@H](C)c1ccncc1	160754809	DTUJWQRBIZXJIM-JSGCOSHPSA-N	322.430	2.082	70	20	DEID	
COc1ccc(-c2noc(-c3c(C)c(C)nn(C)c3=O)n2)cc1	160818826	KVOXEBDGAKQDSJ-UHFFFAOYSA-N	312.329	2.123	70	20	DEID	
C[C@]1(CNC(=O)Nc2ccn(CC(F)(F)F)n2)CCCO1	160843731	CYXGVOGGWTURNJ-LLVKDONJSA-N	306.288	2.136	70	20	DEID	
COc1cc(N(C)C(=O)[C@H](N)CC(C)C)cc(OC)c1OC	160853637	MRCIINYWWWBTMD-GFCCVEGCSA-N	310.394	2.049	70	20	DEID	
Cc1ccc(C)c(OCCC(=O)N(CC(N)=O)CC(C)C)c1	159808151	TWZACWZKEPHTAX-UHFFFAOYSA-N	306.406	2.042	70	20	DEID	
O=C(N[C@H](c1cccc(Cl)c1)C1CCCC1)c1nc(=O)[nH][nH]1	159832013	GJMNTJCTQIMLPM-LBPRGKRZSA-N	320.780	2.413	70	20	DEID	
Cc1ccc(NC(=O)C(=O)NCCCOC2CCCCC2)cn1	159865595	SUQKIUNJLAJBIO-UHFFFAOYSA-N	319.405	2.184	70	20	DEID	
CCCNC(=O)CSc1nnc(Cc2ccccc2F)o1	159491011	KQMDWOUYKLCBNL-UHFFFAOYSA-N	309.366	2.418	70	20	DEID	
C[C@H]1OCCN(C(=O)NCc2cccc(CN(C)C)c2)[C@@H]1C	159901094	ZMBHFJICVKNSLW-ZIAGYGMSSA-N	305.422	2.067	70	20	DEID	
COc1cccc2c1CC[C@@H]2NC(=O)[C@@H]1CCc2cn[nH]c2C1	159924791	UVDSVJKFNALCMH-ABAIWWIYSA-N	311.385	2.327	70	20	DEID	
COCc1ccccc1C(=O)NC[C@@]1(O)CCc2ccccc21	159380394	KEALVMKVVKZOGI-IBGZPJMESA-N	311.381	2.397	70	20	DEID	
NC1(C(=O)NCc2nc(C(F)(F)F)cs2)CCCCC1	161004133	AVIKBKUAXQADOO-UHFFFAOYSA-N	307.341	2.440	70	20	DEID	
CCC[C@@]1(NC(=O)c2ccc(S(=O)(=O)F)cc2)CCOC1	865210834	QMDZOEIRLCYPKF-CQSZACIVSA-N	315.366	2.034	70	20	DEID	
O=C(NCC1CC(F)(F)C1)c1cccc(S(=O)(=O)F)c1	1121094260	BJUHQMJZKDJOPB-UHFFFAOYSA-N	307.293	2.120	70	20	DEID	
Cc1ccc([C@@H]2C[C@H]2NC(=O)c2cc(S(=O)(=O)F)c[nH]2)cc1	1338942129	BUOGHZOZEOLARK-QWHCGFSZSA-N	322.361	2.267	70	20	DEID	
Cc1c(C#N)cccc1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1338388700	CBLQBWZMDSMRIK-UHFFFAOYSA-N	307.306	2.105	70	20	DEID	
O=C(Cc1ccc(S(=O)(=O)F)cc1)NC12CCC(CC1)C2	1340607808	LGEFQPLJELINFH-UHFFFAOYSA-N	311.378	2.336	70	20	DEID	
COCCC1(CNC(=O)N2CC[C@H](C)[C@H](n3ccnc3)C2)CC1	161021585	JYDBLSMEDNGKHM-LSDHHAIUSA-N	320.437	2.292	70	20	DEID	
CCC[C@H]1C(=O)NCCN1C(=O)Nc1cc(C(C)(C)C)on1	161081421	KCGCRIFWYIQEHY-JTQLQIEISA-N	308.382	2.105	70	20	DEID	
CC[C@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccn(CCC(C)C)n1	161093267	UMPBXDHOHHKAOV-STQMWFEESA-N	323.441	2.354	70	20	DEID	
Cc1ccccc1OC(=O)[C@H](C)N1C(=O)[C@@H]2CCCC[C@H]2C1=O	161162257	MCMXDQDOCCOSJJ-BFHYXJOUSA-N	315.369	2.464	70	20	DEID	
CC(C)(C)C(=O)NCCC(=O)NC[C@H]1[C@H]2Cc3ccccc3[C@H]12	161479712	XHYXBRQXDBRPRG-VYDXJSESSA-N	314.429	2.241	70	20	DEID	
O=C(Nc1cccc2c1OCCO2)c1cccc(-c2ncn[nH]2)c1	161498148	VSQVDKPCMQLLHR-UHFFFAOYSA-N	322.324	2.495	70	20	DEID	
Cn1ncc(CSCCN2CCOCC2)c1C(F)(F)F	160071742	DTKBTCZVKVTREU-UHFFFAOYSA-N	309.357	2.004	70	20	DEID	
CC(C)S(=O)(=O)CC(=O)N[C@H]1CCCc2sccc21	160082123	IEWHEFUCYTUJAT-NSHDSACASA-N	301.433	2.065	70	20	DEID	
CCOC(=O)C1(C(=O)NC[C@]2(N(C)C)CCC[C@@H](C)C2)CCC1	160416930	FIMOXUORSPEBPB-PBHICJAKSA-N	324.465	2.347	70	20	DEID	
CCn1cc(C(=O)C(=O)N[C@H]2CCCc3sccc32)cn1	160493400	PSCPUEHEJCZZMY-LBPRGKRZSA-N	303.387	2.341	70	20	DEID	
CN(C(=O)c1cnc2c(c1)ncn2C)[C@H](CCO)c1ccccc1	160892536	UAEFRORPSSTWNN-MRXNPFEDSA-N	324.384	2.164	70	20	DEID	
O=C(Nc1ccc(COC2CCCC2)cc1)[C@H]1CNCCO1	159603649	BFZNEXWFSSQGQP-MRXNPFEDSA-N	304.390	2.073	70	20	DEID	
CN(CC1CCOCC1)C(=O)N[C@@H]1CCCC[C@H]1n1cccn1	159627660	PHMNCANQMVLRDT-HZPDHXFCSA-N	320.437	2.435	70	20	DEID	
CC(=O)N1CC[C@@H](NC(=O)[C@@H](C)CSc2ccc(F)cc2)C1	159758565	UQHVFJKVEMIVNS-SMDDNHRTSA-N	324.421	2.291	70	20	DEID	
CCS(=O)(=O)c1cccc(CC(=O)Nc2ccc(F)cn2)c1	159759307	ZYNNTGGQUQQIOS-UHFFFAOYSA-N	322.361	2.196	70	20	DEID	
CN(C[C@H]1CCCO1)C(=O)Nc1ccc(C(C)(C)C(N)=O)cc1	159962872	WUHCQIGABYYNHY-CQSZACIVSA-N	319.405	2.092	70	20	DEID	
O=C1CC[C@H]2CN(C(=O)c3cc(Cl)c(Cl)[nH]3)CC[C@H]2N1	160568573	XAGBKJBDNDMCTN-IONNQARKSA-N	316.188	2.062	70	20	DEID	
CN1CCCN(CCS(=O)(=O)F)c2cc(Cl)ccc21	883954675	VZZXPDIZGLRTLA-UHFFFAOYSA-N	306.790	2.286	70	20	DEID	
CCC(CC)(CN)C(=O)NCCc1ccc(NC(C)=O)cc1	161197947	RJDQXRGCOKUTDG-UHFFFAOYSA-N	305.422	2.069	70	20	DEID	
Cc1cccc(C)c1NC(=O)CN1CCN(c2ccncc2)CC1	161292662	XWWMAYAZFHXKCZ-UHFFFAOYSA-N	324.428	2.459	70	20	DEID	
Cc1ccc(C)c(C(=O)Cn2c(-c3cccnc3)noc2=O)c1	161302368	FZFBUARFCOKSRL-UHFFFAOYSA-N	309.325	2.398	70	20	DEID	
O=C(N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)c1ncn(-c2ccccc2)n1	160410646	RHDJCRFXQFNVFT-IXDOHACOSA-N	316.364	2.335	70	20	DEID	
CN(CC1CCOCC1)C(=O)Nc1ccc2c(c1)oc(=O)n2C	160541541	SQNZDYBGQWEOPB-UHFFFAOYSA-N	319.361	2.022	70	20	DEID	
CO[C@@H]1CCC[C@H]1NC(=O)c1c[nH]c2c(C)cc(F)cc2c1=O	160572653	YDFDFISKVNGUII-ZIAGYGMSSA-N	318.348	2.273	70	20	DEID	
CC(C)[C@H](CCO)NC(=O)CSCC(=O)c1ccccc1	160666116	LGHKGLOXHFFATA-AWEZNQCLSA-N	309.431	2.126	70	20	DEID	
COC(=O)CCCC(=O)Nc1cncc(Br)c1	159440873	SVKIXLPBSRBAJV-UHFFFAOYSA-N	301.140	2.126	70	20	DEID	
COc1cccc(CNC(=O)N(C)C[C@H]2CCC[C@@H]2O)c1OC	159671116	ZIODGNWDERCYRZ-KGLIPLIRSA-N	322.405	2.006	70	20	DEID	
C[C@@H]1C[C@@H](NC(=O)Nc2cnn(C)c2)CN1Cc1ccccc1	159881768	MUJMPNLPHSIWPM-UKRRQHHQSA-N	313.405	2.205	70	20	DEID	
CC(=O)N1CC[C@@H](NC(=O)[C@@H](C)Oc2cc(C)ccc2Cl)C1	159510150	IZXDGQCKSVBDEE-DGCLKSJQSA-N	324.808	2.153	70	20	DEID	
COC(=O)c1ccc(CSCCN2CCOCC2)cc1F	159936186	HWKORJSZYWFEAK-UHFFFAOYSA-N	313.394	2.178	70	20	DEID	
Cc1cc(Br)ccc1CNC(=O)[C@@H]1CCCNC1	159545585	JOGYOCZOQUVRFA-GFCCVEGCSA-N	311.223	2.373	70	20	DEID	
C[C@]1(CNC(=O)c2ccc(S(=O)(=O)F)cc2)CCCS1	865209270	MOTQWAAHFQBLIM-CYBMUJFWSA-N	317.407	2.360	70	20	DEID	
O=C(CCc1ccc(S(=O)(=O)F)cc1)N[C@H]1C[C@@H]2C[C@@H]2C1	1340770000	OMINFZMPZJUYTL-CLLJXQQHSA-N	311.378	2.192	70	20	DEID	
O=C(NC[C@@H]1CCCCC1(F)F)c1cc(S(=O)(=O)F)c[nH]1	1123727838	QQUCCPAMLIMQKE-QMMMGPOBSA-N	324.324	2.228	70	20	DEID	
CCCN(CCO)Cc1cc(C)c(OCC(=O)OC)c(C)c1	161235848	RGQXBRYUORPCOB-UHFFFAOYSA-N	309.406	2.060	70	20	DEID	
COc1ccc(NC(=O)c2cc3c([nH]c2=O)CCCC3)cc1N	161342515	LKBUUELNOKORHP-UHFFFAOYSA-N	313.357	2.097	70	20	DEID	
O=C(C[C@H]1COC(=O)C1)NCCCCOc1ccc(F)cc1	160022736	XZBQLXXXQIFEBI-GFCCVEGCSA-N	309.337	2.054	70	20	DEID	
Cn1cnnc1C1CCN(C(=O)c2c(F)cc(F)cc2F)CC1	160101477	YNONBULVJYYKSI-UHFFFAOYSA-N	324.306	2.252	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)COc1cccc(Cl)c1C	160169281	BBVPOUHVHPVPCJ-SNVBAGLBSA-N	313.781	2.485	70	20	DEID	
CC(C)OC(=O)CCCNC(=O)N1CCS[C@@H](C)[C@@H]1C	160187843	LVTUDLUBWSQNAA-RYUDHWBXSA-N	302.440	2.254	70	20	DEID	
CC[C@@H](COC)NS(=O)(=O)c1ccc(OC(C)C)c(C)c1	160334754	QFQPCWHHTVNEOY-ZDUSSCGKSA-N	315.435	2.486	70	20	DEID	
CCn1nc(C)c([C@H](C)N[C@H]2CCc3nc(C)nn3C2)c1C	160515937	NQMNYGRJPWSYCX-HZMBPMFUSA-N	302.426	2.085	70	20	DEID	
CS[C@@H](C)CC(=O)NCc1ccc(-n2ccnc2C)nc1	160561585	QKAXLZIIBGFUDJ-NSHDSACASA-N	304.419	2.334	70	20	DEID	
O=C1CC[C@H]2CN(C(=O)c3ccc(Cl)cc3F)CC[C@@H]2N1	160639739	PRMDGZKTGKEWKR-ZANVPECISA-N	310.756	2.220	70	20	DEID	
CN(CCc1ccncc1)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	160936791	LBWUJTQBWMOBES-XHSDSOJGSA-N	315.417	2.223	70	20	DEID	
CNC(=O)COc1cccc(CC(=O)O[C@H]2CCC[C@H](C)C2)c1	159630521	ZXMLTVQYCIMYIH-BBRMVZONSA-N	319.401	2.476	70	20	DEID	
CCCCN(C)S(=O)(=O)N[C@H]1CCCc2cc(N)ccc21	159448229	ZRDMSMMXJZQBRD-HNNXBMFYSA-N	311.451	2.213	70	20	DEID	
COc1ccc(-n2ccc(C(=O)Nc3c[nH]c(=O)c(C)c3)n2)cc1	159450114	KACHQJQGGTZBSQ-UHFFFAOYSA-N	324.340	2.130	70	20	DEID	
CNC(=O)c1ccc(S(=O)(=O)N2CC[C@H](C)C[C@@H](C)C2)cc1	159722750	LFVJPBUIXZTZIJ-QWHCGFSZSA-N	324.446	2.103	70	20	DEID	
CCn1c(SCCCCC(N)=O)nc2ccc(F)cc2c1=O	159533746	YOLWBLGUEXCUOQ-UHFFFAOYSA-N	323.393	2.303	70	20	DEID	
CNC[C@H]1CCCN1C(=O)COc1ccc(F)cc1Cl	161156654	MEVQSPXXHOGPNW-LLVKDONJSA-N	300.761	2.068	70	20	DEID	
CCCN(CC(F)(F)F)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1337667608	VFVRUXCEMWNVRH-UHFFFAOYSA-N	316.276	2.087	70	20	DEID	
O=C(N[C@@H]1C[C@H]1c1ccco1)c1cccc(S(=O)(=O)F)c1	1275773915	DTFYRTOHAZUHJZ-VXGBXAGGSA-N	309.318	2.224	70	20	DEID	
CCCN1CCC(NC(=O)c2cc(OC)c(O)c(OC)c2)CC1	161061669	NEFRAJZNUOLEQU-UHFFFAOYSA-N	322.405	2.014	70	20	DEID	
CN(C)[C@H](CNC(=O)N[C@H](CCO)C(C)(C)C)c1ccccc1	161183138	UDWMSDVLHLQTHB-HZPDHXFCSA-N	321.465	2.386	70	20	DEID	
CC(C)C[C@@H](CO)NC(=O)c1ccc(OC2CCOCC2)cc1	161270554	PYSFVAGDCBUZGH-HNNXBMFYSA-N	321.417	2.381	70	20	DEID	
C[C@@H]1CCCN1C(=O)CCN1CCC([C@H](O)C(F)(F)F)CC1	161499283	HEJDMOLAJDWOAT-RISCZKNCSA-N	322.371	2.023	70	20	DEID	
CCN1C[C@H](C(=O)O[C@@H](C)c2cc(C)ccc2OC)CC1=O	160189969	ZQYZGELEVQCJKK-QWHCGFSZSA-N	305.374	2.476	70	20	DEID	
CC[C@@H](C)[C@H](O)CNC(=O)COc1ccc2c(c1)CCCC2	160449105	IBSUGWZCPSCSOZ-CXAGYDPISA-N	305.418	2.467	70	20	DEID	
COC[C@@H](NC(=O)Nc1cnn(-c2ccccc2)c1)C1CC1	160485533	STCPKHJRVOGOEB-OAHLLOKOSA-N	300.362	2.419	70	20	DEID	
CC(=O)N(C)c1ccc(NC(=O)N2CCOC3(CCC3)C2)cc1	160488514	XGUAVGZSBZROHZ-UHFFFAOYSA-N	317.389	2.456	70	20	DEID	
CCC[C@@H]1C(=O)NCCN1C(=O)Nc1cccc2[nH]ccc12	160818431	AQNMWTVZPDLGCV-CQSZACIVSA-N	300.362	2.300	70	20	DEID	
Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)N(C)C[C@H](O)C1CC1	160866537	JHTAXGBUQZTYSU-VBQJREDUSA-N	304.434	2.263	70	20	DEID	
N[C@H]1CCC[C@H](NC(=O)Cc2csc(-c3ccoc3)n2)C1	160981712	ZYFAJSNZXBINEK-RYUDHWBXSA-N	305.403	2.332	70	20	DEID	
Cn1cc(N2CCC[C@@H](N3CC[C@H](c4ccccc4)C3)C2=O)cn1	159810859	WVZHUFJDVDBUOH-FUHWJXTLSA-N	324.428	2.405	70	20	DEID	
C[C@H](NCc1cn2ccccc2n1)c1ccc(-n2cnnn2)cc1	159439753	IKBRVLMWQNPNGD-ZDUSSCGKSA-N	319.372	2.161	70	20	DEID	
Cc1ccc(F)cc1S(=O)(=O)N(C)CCc1nccs1	159638227	SSSLTAOQLZITCB-UHFFFAOYSA-N	314.407	2.454	70	20	DEID	
CCCCOCCNC(=O)CN1CCC[C@H]1c1cccc(C)n1	159736708	YGXFONLHBDAYHQ-KRWDZBQOSA-N	319.449	2.460	70	20	DEID	
CCCCC[C@@H](C)NC(=O)Cc1cccc(OCC(=O)NC)c1	159549281	LYVPKQKCZUGJSC-CQSZACIVSA-N	320.433	2.439	70	20	DEID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)[C@@H]1CCCSC1	460095256	RPZDYVQLZGIVDY-SECBINFHSA-N	303.380	2.427	70	20	DEID	
O=C(NC[C@H]1CCCCS1)c1ccc(S(=O)(=O)F)cc1	865209993	NVUYHWPMDIVLGB-LLVKDONJSA-N	317.407	2.360	70	20	DEID	
O=C(Nc1ccc(F)cc1F)c1cc(S(=O)(=O)F)c[nH]1	1339471820	IIBXNLTXLAGFRJ-UHFFFAOYSA-N	304.249	2.203	70	20	DEID	
O=C(O[C@@H]1CCCCC1=O)c1cccc(S(=O)(=O)F)c1	1350902962	KQEHNDXIPWXAAJ-GFCCVEGCSA-N	300.307	2.013	70	20	DEID	
C[C@@H](c1ccc(F)cc1)N(C)C(=O)N[C@H]1CCc2ncnn2C1	161178064	GYVIBMPQWCEPNY-FZMZJTMJSA-N	317.368	2.135	70	20	DEID	
COc1cc(C)ccc1OCC(=O)N[C@@H](C)Cc1cc(C)[nH]n1	161351305	RMUIDPFAZZPMQC-LBPRGKRZSA-N	317.389	2.161	70	20	DEID	
CCOc1ccc([C@H]2CCCN2C(=O)[C@H]2CCNC(=O)C2)cc1	160014425	RWRGBDBQPFMLTP-GOEBONIOSA-N	316.401	2.275	70	20	DEID	
Cc1cc(NC(=O)c2cnc3c(c2)nnn3C)c2ccccc2n1	160089475	ZZNINVSSMZCMFA-UHFFFAOYSA-N	318.340	2.472	70	20	DEID	
COc1ccc2c(c1)[C@H](NCCN1CCC(N(C)C)CC1)CC2	160187960	ITMRRDCEEUUQBL-LJQANCHMSA-N	317.477	2.298	70	20	DEID	
C[C@@]1(C(=O)N2CCC(CC(N)=O)CC2)CCCc2ccccc21	160476993	CHVVOOFXDBZYGM-LJQANCHMSA-N	314.429	2.395	70	20	DEID	
CCC1(CO)CCN(C(=O)N[C@H]2CCO[C@@H](C3CC3)C2)CC1	160533341	OXKFOKRYDVGLNT-LSDHHAIUSA-N	310.438	2.138	70	20	DEID	
O=C1CC[C@@H]2CN(C(=O)Cc3cccc(Cl)c3)CC[C@@H]2N1	160586986	HYKZDWYLFQCKLC-OCCSQVGLSA-N	306.793	2.010	70	20	DEID	
CCNC(=O)C(C)(C)CNC(=O)C[C@@H](C)c1c(C)noc1C	160976324	YQAXKFKVQOOVCA-SNVBAGLBSA-N	309.410	2.064	70	20	DEID	
COCCCOc1cccc(C(=O)N[C@@H](CO)CC(C)C)c1	160984484	AWKZBGRMYRMDQT-OAHLLOKOSA-N	309.406	2.239	70	20	DEID	
COC(=O)C1(N(C)Cc2cnn(C)c2C(F)(F)F)CCCC1	159432027	JFADDMJASPYELM-UHFFFAOYSA-N	319.327	2.357	70	20	DEID	
C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)NCCCF	159522626	FFIGRFVANTWXAW-VXGBXAGGSA-N	317.405	2.433	70	20	DEID	
Cc1cc(C(=O)Nc2ccc(S(=O)(=O)F)cc2)cnc1F	865205615	ZICFOOYNLYUSFY-UHFFFAOYSA-N	312.297	2.440	70	20	DEID	
O=S(=O)(F)c1ccc(NC[C@H]2CCC3(CCC3)O2)nc1	1550642645	CEFKGEKTMNAAFZ-SNVBAGLBSA-N	300.355	2.253	70	20	DEID	
Cc1[nH]ncc1CCCNC(=O)[C@H]1COc2ccc(F)cc2C1	160186291	ZMGGRXIGMVWJMZ-CQSZACIVSA-N	317.364	2.157	70	20	DEID	
CC(=O)Nc1ccc(C(=O)NC[C@H]2CCCN2CC(C)C)cc1	160456825	HYTPWZDAOGKJGP-QGZVFWFLSA-N	317.433	2.495	70	20	DEID	
Cc1cc(C)cc(CCC(=O)NC[C@@H](O)CN2CCCCC2)c1	160498176	IEXMGKFAAQXWOD-GOSISDBHSA-N	318.461	2.199	70	20	DEID	
Cc1cc(N[C@@H](C)C(=O)NCc2ccccc2Cl)nn1C	159649759	LVXLBMJZDFONGL-NSHDSACASA-N	306.797	2.499	70	20	DEID	
CC(C)[C@H]1CCC[C@H](NC(=O)NC[C@@H]2CCCS2(=O)=O)C1	159736108	XUSCNWPRYWWAJQ-IHRRRGAJSA-N	316.467	2.078	70	20	DEID	
C[C@H]1C[C@@H](C)C[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1262732401	GOHCUOXCBQAEQJ-MYJAWHEDSA-N	302.371	2.227	70	20	DEID	
O=C(Nc1cccc2cc[nH]c12)c1cc(S(=O)(=O)F)c[nH]1	1346928919	JNLPRXZMARCNPU-UHFFFAOYSA-N	307.306	2.407	70	20	DEID	
CO[C@H]1CCCN(C(=O)NC[C@H]2CCCCN2CC(C)C)C1	161002516	JTXYWJBSHOWWKG-CVEARBPZSA-N	311.470	2.317	70	20	DEID	
CCc1n[nH]c(-c2ccccc2NC(=O)[C@H]2CCCOC2)n1	161010825	HAOGDDYTYHYWME-NSHDSACASA-N	300.362	2.399	70	20	DEID	
CC(C)CCn1ccc(NC(=O)NCCSCCCO)n1	161127086	VXCYGFVWVYRBPW-UHFFFAOYSA-N	314.455	2.166	70	20	DEID	
CS[C@@H](C)CC(=O)Nc1ccccc1CN1C(=O)CCC1=O	161148607	JRNCEEGTJXBWCH-NSHDSACASA-N	320.414	2.416	70	20	DEID	
C[C@@]1(C(=O)NCCCCOc2ccc(F)cc2)CCCNC1	161316316	LLVDVLDVMUTDOC-QGZVFWFLSA-N	308.397	2.491	70	20	DEID	
O=C(N[C@@H]1CCN(c2ccccn2)C1)c1cccnc1Cl	161408000	YLDKETJGNZVJAJ-LLVKDONJSA-N	302.765	2.139	70	20	DEID	
CCOC(=O)C1(C(=O)NCCOCc2ccccc2)CCC1	160009181	FTSUCGHSMYMJOH-UHFFFAOYSA-N	305.374	2.053	70	20	DEID	
CCc1c(C(=O)NCc2ccc(C)c(F)c2)[nH]c(C)c1C(N)=O	160152322	SNKKBYXVSSCMGD-UHFFFAOYSA-N	317.364	2.362	70	20	DEID	
Cc1cc(C)nc(SCC(=O)NCCc2cccc(O)c2)n1	160213687	NELBLQVXCSDWKY-UHFFFAOYSA-N	317.414	2.250	70	20	DEID	
CCOC(=O)NCCCC(=O)Nc1nnc(CC(C)C)s1	160345227	CLJLXTWPIKRVOB-UHFFFAOYSA-N	314.411	2.201	70	20	DEID	
CCc1n[nH]c(=O)c(CNC(=O)N2CC[C@H](C)C[C@H]2C)c1CC	160349531	YVVBACCQAWEDFC-NWDGAFQWSA-N	320.437	2.225	70	20	DEID	
C[C@@H](Cc1ccccc1F)NC(=O)[C@@H]1CCn2ccnc2C1	160358059	XCSBHWCHHHTDEB-GXTWGEPZSA-N	301.365	2.332	70	20	DEID	
CCCN(CCO)C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1	160417656	OMVCBRDAABYBNN-OAHLLOKOSA-N	308.378	2.091	70	20	DEID	
O=C(NCCCOCC1CC1)Nc1ccn(CC(F)(F)F)n1	160428424	IQKZZUAKDOQZLQ-UHFFFAOYSA-N	320.315	2.384	70	20	DEID	
O=C(C[C@@H]1CCCN1)NC[C@H](O)c1c(Cl)cccc1Cl	160686166	VVJGPPMIWLBPAF-CABZTGNLSA-N	317.216	2.285	70	20	DEID	
CCCOc1ccc(CNC(=O)N(C)C[C@H]2CCC[C@H]2O)cn1	160975041	VZWNPLIBMIMKJW-HUUCEWRRSA-N	321.421	2.173	70	20	DEID	
C[C@@H]1CN(CCCNC(=O)N2CCC3(CCC3)C2)C[C@@H](C)O1	159808682	WWMIPMJAXBPDTI-HUUCEWRRSA-N	309.454	2.071	70	20	DEID	
C[C@@H](C(=O)Nc1ccc(Br)cc1)N(C)C[C@@H](C)O	159441781	MGISTONQWKTCBR-ZJUUUORDSA-N	315.211	2.089	70	20	DEID	
CCc1ccc(/C=C/C(=O)N(CC)[C@@H](C)CS(C)(=O)=O)o1	159986750	AHQRSUJPUIFKFK-VMPCVLLUSA-N	313.419	2.137	70	20	DEID	
COc1cccc(CNC(=O)NCCc2ccc(O)cc2)c1	217314595	YUCVPYONSQSBBB-UHFFFAOYSA-N	300.358	2.443	70	20	DEID	
O=S(=O)(F)c1ccc(NC[C@@H]2CC[C@H](C3CC3)O2)nc1	1551201818	CVUSCFLFXCYCJM-CMPLNLGQSA-N	300.355	2.109	70	20	DEID	
Cn1cncc1[C@@H]1CCCCN1c1ccc(S(=O)(=O)F)cn1	1550621578	WHMYGGDAKZZUGV-LBPRGKRZSA-N	324.381	2.205	70	20	DEID	
COc1ccc(CNC(=O)c2c(-c3ccncc3)noc2C)cn1	161059127	SZJYCVQWVTYJGB-UHFFFAOYSA-N	324.340	2.379	70	20	DEID	
Cn1cnc(-c2ccc(NC(=O)NCCc3ccco3)cc2)n1	161119690	OYTJSACUNLNXDR-UHFFFAOYSA-N	311.345	2.439	70	20	DEID	
COc1ccc(CCNC(=O)N[C@H](CCO)C(C)(C)C)cc1	161135548	IREOZMPCIORERV-OAHLLOKOSA-N	308.422	2.334	70	20	DEID	
CCOCCC1(CNC(=O)[C@H]2CCCCN2C(=O)CC)CCC1	161425640	VPLCSTZWEKCELY-OAHLLOKOSA-N	324.465	2.491	70	20	DEID	
CN1CCC(NC(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)CC1	160335634	WGSPAWAFZGHZIT-MRXNPFEDSA-N	319.405	2.070	70	20	DEID	
O=C1CC[C@@H]2CN(C(=O)Cc3ccc(Cl)cc3)CC[C@@H]2N1	160564242	NFMDJPVCDXOBMY-OCCSQVGLSA-N	306.793	2.010	70	20	DEID	
COC[C@@H](O)CCNC(=O)CCCOc1ccc(Cl)cc1	160905821	PWQAVEPUDRKROL-ZDUSSCGKSA-N	315.797	2.013	70	20	DEID	
CCC[C@@H]1C(=O)NCCN1C(=O)Nc1ccc(OCC)c(F)c1	159722177	ZPDXDBBXNTZBDN-CYBMUJFWSA-N	323.368	2.357	70	20	DEID	
CC(C)C[C@@H]1CCCN1CCN1C(=O)NC2(CCCC2)C1=O	159938041	GJJMKSCNJJKKTM-AWEZNQCLSA-N	307.438	2.362	70	20	DEID	
CCNC(=O)CNC(=O)c1cncc(-c2ccc(Cl)cc2)c1	159967951	RHZBGQQJIUDFDI-UHFFFAOYSA-N	317.776	2.268	70	20	DEID	
Cc1cnn(-c2ccc(NC(=O)[C@H]3CC[C@H](N)C3)cc2F)c1	159775465	XGLWOMPCMWVARB-RYUDHWBXSA-N	302.353	2.386	70	20	DEID	
CC[C@@H]1CCO[C@@H]1C(=O)Nc1cccc(S(=O)(=O)F)c1	460092571	MABFXLIJPZCTKD-SKDRFNHKSA-N	301.339	2.098	70	20	DEID	
C[C@@H](NC(=O)NCc1cccc(N(C)C)n1)c1cccc(O)c1	161197039	DZLYCFZYKODJNZ-GFCCVEGCSA-N	314.389	2.414	70	20	DEID	
CNC(=O)CCN(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1	161226972	LOIRGVFRKSCHCO-UHFFFAOYSA-N	318.396	2.216	70	20	DEID	
C[C@@H](CO)CNC(=O)N[C@H](C[C@@H]1CCOC1)c1ccccc1	161315188	NLKJOTOGECUKKW-IJEWVQPXSA-N	306.406	2.082	70	20	DEID	
CC[C@H](NC(=O)CNC(=O)CCC(C)C)c1c(C)noc1C	160201130	FGDDYZNNBSMZDC-ZDUSSCGKSA-N	309.410	2.411	70	20	DEID	
CCOCCN(CC)C(=O)Nc1ccn(CC(F)(F)F)n1	160359384	ZZTOGBCFBTWKEB-UHFFFAOYSA-N	308.304	2.336	70	20	DEID	
O=C1CCCC[C@H]1[C@@H]1COCCN1C(=O)c1cccc(F)c1	160391609	JXLASYWTBVYNFJ-GJZGRUSLSA-N	305.349	2.426	70	20	DEID	
CCOC(=O)CN(C(=O)CCc1ccc(F)cc1F)C1CC1	160957512	JFZVLNSLMLKOBQ-UHFFFAOYSA-N	311.328	2.452	70	20	DEID	
CC(C)(C)c1ccc([C@@H](O)CNC(=O)[C@H]2CCCNC2)cc1	160972451	DERKQHZZHONFDI-HOCLYGCPSA-N	304.434	2.133	70	20	DEID	
Cc1ccc([C@@H](C)CNS(=O)(=O)c2c(C)nn(C)c2C)cc1	159681856	NOHABDGCKMJALX-LBPRGKRZSA-N	321.446	2.427	70	20	DEID	
CCN1CCCN(C(=O)N[C@@H](C)CCc2cccn2C)CC1	159914236	JIWRPANAHMBGQY-HNNXBMFYSA-N	306.454	2.083	70	20	DEID	
O=C(c1ccc2c(c1)CCO2)N1CCC(NCC2CC2)CC1	159735758	VNYXWPHDKWMTJZ-UHFFFAOYSA-N	300.402	2.226	70	20	DEID	
CC(C)CO[C@H]1CCN(C(=O)c2ncn(-c3ccccc3)n2)C1	159973992	TUCLEQQSKNTVQV-HNNXBMFYSA-N	314.389	2.154	70	20	DEID	
COc1cc(C(=O)NCc2cc(Cl)cc3c2OCC3)on1	159783232	CJCNQSOYSJXWBX-UHFFFAOYSA-N	308.721	2.202	70	20	DEID	
C[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)c2ccccc21	1349546359	JFJVLRFUKDHHDU-VIFPVBQESA-N	308.334	2.437	70	20	DEID	
CCOc1ccc2c(c1)C[C@@H](C(=O)N[C@H](CO)CC(C)C)CO2	161195711	FELVSKARRVSCPQ-CABCVRRESA-N	321.417	2.160	70	20	DEID	
Cc1nc(CC(=O)NC[C@@H](O)c2cccc(F)c2)c(C)s1	160333650	SEDHZPXXLYFEJF-CQSZACIVSA-N	308.378	2.291	70	20	DEID	
Cc1cc(Cl)ccc1C(=O)NC[C@@H](O)CN1CCCCC1	160535745	ARMBMXQCQFRDRS-CQSZACIVSA-N	310.825	2.225	70	20	DEID	
Cc1c(C(=O)N[C@@H](C)C[C@H]2CCCO2)cnn1C1CCOCC1	160836555	XDWWWRYRESPHKX-SWLSCSKDSA-N	321.421	2.230	70	20	DEID	
CC[C@H](NCC(C)(C)NS(C)(=O)=O)c1ccc(F)cc1F	160902899	FRORKERXTOGBLB-ZDUSSCGKSA-N	320.405	2.333	70	20	DEID	
C[C@H](NC(=O)C1(C)CCCCC1)c1cccc(S(N)(=O)=O)c1	160973401	ITJHNRKCMTWWDO-LBPRGKRZSA-N	324.446	2.482	70	20	DEID	
CC[C@H](c1ccncc1)N(C)S(=O)(=O)c1c(C)noc1C	159717834	YKUOEOVYKKYPOD-CYBMUJFWSA-N	309.391	2.458	70	20	DEID	
Cc1nccc(NC(=O)NCC(=O)Nc2cccnc2)c1Cl	159719665	NCJLCPDXKXOTRD-UHFFFAOYSA-N	319.752	2.199	70	20	DEID	
COc1ccc(N(C)C(=O)CCOC[C@H]2CCCO2)cc1F	159566010	CJRYXBALLIRITH-CYBMUJFWSA-N	311.353	2.383	70	20	DEID	
COc1ccc(Cl)c(S(=O)(=O)NCc2ccncc2)c1	159569564	ATSOBJXKVCCQAY-UHFFFAOYSA-N	312.778	2.222	70	20	DEID	
O=C(Nc1cc2ccccn2n1)c1cccc(S(=O)(=O)F)c1	1262788227	WHQHXTWDPPVXHI-UHFFFAOYSA-N	319.317	2.245	70	20	DEID	
O=C(NC[C@H]1CCC[C@H]1C1CC1)c1cc(S(=O)(=O)F)c[nH]1	1354886185	SIXJSNJMHASEEO-PWSUYJOCSA-N	314.382	2.229	70	20	DEID	
C[C@@H](N[C@H](C)C1CCN(C)CC1)C(=O)NCc1ccccc1	161216791	XSYGDWQEVQTQIG-HUUCEWRRSA-N	303.450	2.011	70	20	DEID	
CC(C)c1ccc(C(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)cn1	161405385	NEIFPRFLFUALOD-GJZGRUSLSA-N	319.449	2.434	70	20	DEID	
CC[C@@H](CC(=O)N[C@H]1CCN(C(N)=O)C1)c1ccc(C)cc1	160016846	QEMZSCXRBFIHOZ-ZFWWWQNUSA-N	303.406	2.148	70	20	DEID	
COc1cc(C(=O)N2CCC[C@H]2CN)ccc1OCC(C)C	160229286	AFUYEOHNZWYPHP-AWEZNQCLSA-N	306.406	2.293	70	20	DEID	
Cc1cccc(CCNC(=O)CNC(=O)c2cccc(F)c2)c1	160297997	LQDAKZPJLFTEKO-UHFFFAOYSA-N	314.360	2.223	70	20	DEID	
CCOCCC1(CNC(=O)c2c(C)nn(C)c2OC)CCC1	160400223	UPRRYJQNDKSXON-UHFFFAOYSA-N	309.410	2.064	70	20	DEID	
COc1cccc(NC(=O)C(=O)Nc2cnn(CC(C)C)c2)c1	160437311	HOXMXJARSKTBAI-UHFFFAOYSA-N	316.361	2.125	70	20	DEID	
CC[C@@H](C)CN(C)c1ccc(F)cc1CN1CCNC(=O)C1	160508017	PISPCVCKAXUGIP-CYBMUJFWSA-N	307.413	2.240	70	20	DEID	
Cc1ncsc1C(=O)N1CCOC[C@@H]1[C@@H]1CCCCC1=O	160587426	IIFFIUJKXYXHNK-NWDGAFQWSA-N	308.403	2.052	70	20	DEID	
COC[C@@H](NC(=O)Nc1ccn(CC(F)(F)F)n1)C(C)C	160610007	JFCHBANPSZPNOC-SECBINFHSA-N	308.304	2.238	70	20	DEID	
CC[C@H](NC(=O)CCCNC(=O)C1CC1)c1c(C)noc1C	160749126	XKCHDMFTMRJIMO-ZDUSSCGKSA-N	307.394	2.165	70	20	DEID	
COCC(C)(C)C(=O)N(C)Cc1ccccc1N1CCOCC1	160758858	YNVKIEXBJCNZQV-UHFFFAOYSA-N	320.433	2.154	70	20	DEID	
CNC(=O)C(C)(C)CNC(=O)[C@H](C)Cc1cccc(Cl)c1	160826734	QFGDRQHRHWDLTP-LLVKDONJSA-N	310.825	2.407	70	20	DEID	
CCCN(CCC)C(=O)CCCC(=O)Nc1c[nH]c(=O)c(C)c1	159652934	VLIXKUUVFCYHKF-UHFFFAOYSA-N	321.421	2.441	70	20	DEID	
CN(Cc1nc2ccc(Cl)cc2c(=O)[nH]1)C[C@H]1CCC[C@@H]1O	159863888	IKESXXXDLTVTDG-YGRLFVJLSA-N	321.808	2.169	70	20	DEID	
CSCC[C@@H](N)C(=O)Nc1ccc(C(=O)NC(C)C)c(C)c1	159497937	NJJCAFOIVJJLFC-CQSZACIVSA-N	323.462	2.152	70	20	DEID	
CCOCCCCNC(=O)NC[C@](C)(O)c1ccc(F)cc1	159925092	FJRAVEOSDQLFTJ-INIZCTEOSA-N	312.385	2.149	70	20	DEID	
CC(C)CCOc1ccc(NC(=O)NCC2(CO)COC2)cc1	159553841	NHGYDTUSSGSQEH-UHFFFAOYSA-N	322.405	2.242	70	20	DEID	
CN1C(=O)COc2ccc(NC(=O)c3cccc4[nH]cnc34)cc21	159767409	NZZKHVMHAJJYSV-UHFFFAOYSA-N	322.324	2.170	70	20	DEID	
CCOCCO[C@H](C)C(=O)NCCc1cc2ccccc2[nH]1	159575474	CCLFRMUXGHQZBV-CYBMUJFWSA-N	304.390	2.268	70	20	DEID	
COc1ccc(/C=C/C(=O)Nc2c[nH]c(=O)c(C)c2)cc1OC	159399978	UZZGGSSFZBYKDM-FNORWQNLSA-N	314.341	2.352	70	20	DEID	
CCSCC[C@H](C)NS(=O)(=O)c1cc(N)ccc1C	159864287	LBBHNLKSHSBSTE-NSHDSACASA-N	302.465	2.387	70	20	DEID	
CC(C)(CF)NC(=O)CCc1ccc(S(=O)(=O)F)cc1	1355019498	DUOODNDGYQVQRR-UHFFFAOYSA-N	305.346	2.142	70	20	DEID	
C[C@@H]1CCC[C@H](NC(=O)CCCNC(=O)c2cccnc2)C1	161054197	RCFPMJLNLRYBRD-HIFRSBDPSA-N	303.406	2.287	70	20	DEID	
Cc1cccc(N2CCN(CCCCS(C)(=O)=O)CC2)c1C	161095552	WCIITUIQIWZHOJ-UHFFFAOYSA-N	324.490	2.250	70	20	DEID	
CNC(=O)c1ccc(OC)c(NC(=O)N[C@H](C)C2CCC2)c1	161110932	JBANFYSUFZTVCU-SNVBAGLBSA-N	305.378	2.365	70	20	DEID	
Cc1cc(S(=O)(=O)N2CCC[C@H]2C(C)(C)O)cc(C)c1F	161149592	KFAVSRHYCRZLJO-ZDUSSCGKSA-N	315.410	2.367	70	20	DEID	
CCc1cc(N2CCC[C@@H](NC(=O)NC3(C)CCC3)C2)ncn1	161207519	BYQASZMKEFGGGP-CQSZACIVSA-N	317.437	2.250	70	20	DEID	
COC(=O)[C@@](C)(NC(=O)Cc1cc(F)c(F)cc1F)C1CC1	161290749	WHMQSHZWECFQHD-HNNXBMFYSA-N	315.291	2.104	70	20	DEID	
O=C(NCCc1ccccn1)Nc1ccn(CC(F)(F)F)n1	160315500	CAFNWSFKNQJJKP-UHFFFAOYSA-N	313.283	2.205	70	20	DEID	
CC(C)Cn1cc(NC(=O)C(=O)Nc2cc(F)cc(F)c2)cn1	160379732	GNKPMILLCWWMGM-UHFFFAOYSA-N	322.315	2.395	70	20	DEID	
CCc1cc(O)nc(CN2CCN(c3ccccc3F)CC2)n1	160476504	KWGUFOOOTBSXPF-UHFFFAOYSA-N	316.380	2.206	70	20	DEID	
COC[C@@H](N[C@@H](CN1CCCC1=O)c1ccccc1)C1CC1	160793323	XDWLHGHVBRQKKK-DLBZAZTESA-N	302.418	2.365	70	20	DEID	
CCCN(CC)CCNC(=O)Nc1cc(C(=O)OC)cs1	160871908	VXQKIMLQNDDODW-UHFFFAOYSA-N	313.423	2.388	70	20	DEID	
NC1(CNC(=O)c2ccc3c(c2)NC(=O)CS3)CCCCC1	159458887	WARLEIMTTWCCKF-UHFFFAOYSA-N	319.430	2.122	70	20	DEID	
CC(C)[C@H](CNC(=O)N[C@H]1CCO[C@H](C2CC2)C1)N1CCCC1	159660937	APJYXVHLYDGYOV-ULQDDVLXSA-N	323.481	2.364	70	20	DEID	
CCc1ccccc1NC(=O)NCC1CCS(=O)(=O)CC1	159522275	XOSHYVZSNRWTKG-UHFFFAOYSA-N	310.419	2.195	70	20	DEID	
COCCCCS(=O)(=O)Cc1noc(C2CCCCC2)n1	159363388	VWBHWAISFABHNZ-UHFFFAOYSA-N	316.423	2.459	70	20	DEID	
O=S(=O)(F)CCN1CCCc2cccc(OC(F)F)c21	883954632	USOWANQUXHAWCX-UHFFFAOYSA-N	309.309	2.340	70	20	DEID	
COc1ccc(SCC(=O)NC[C@](C)(O)CSC)cc1	217628571	KZPGDOGTUXGCCY-AWEZNQCLSA-N	315.460	2.018	70	20	DEID	
COCCOCCNC(=O)C[C@@H](C)c1ccc(F)cc1F	161222528	HIKGNCZJUZTIHS-LLVKDONJSA-N	301.333	2.238	70	20	DEID	
Cc1c(NC(=O)Nc2ccn(C)n2)cccc1N1CCOC1=O	161460762	ZBMVOHFEJFSEQJ-UHFFFAOYSA-N	315.333	2.329	70	20	DEID	
O=C([C@H]1OCCc2ccccc21)N1CCC(NCC2CC2)CC1	160148260	TTZIWEIFADBBKY-SFHVURJKSA-N	314.429	2.291	70	20	DEID	
Cc1ccc(C(=O)NC2CCN([C@H]3CCCC[C@H]3O)CC2)o1	160240358	SLHHPGUCWVSZFO-LSDHHAIUSA-N	306.406	2.086	70	20	DEID	
CN(C(=O)c1ccc(C(=O)Nc2nnc[nH]2)cc1)c1ccccc1	160241460	KMJSYVMEDXJISW-UHFFFAOYSA-N	321.340	2.334	70	20	DEID	
CC(C)(C)CC(=O)Nc1ccc(CC(=O)NC2(CO)CC2)cc1	160259289	XKZGMDXBSPHEGA-UHFFFAOYSA-N	318.417	2.245	70	20	DEID	
O=C(Cc1c[nH]c2cc(F)ccc12)NCCCC(=O)NC1CC1	160364026	CFYVCVFNDXVZRA-UHFFFAOYSA-N	317.364	2.025	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)c1cnn(-c2ccccc2C)c1	160500947	MPJBONINCCLTLT-ZDUSSCGKSA-N	315.373	2.252	70	20	DEID	
CC[C@@H](NC(=O)c1cccc(C(N)=O)c1)c1c(C)noc1C	160575352	UHNIFYLJWPZXQW-CYBMUJFWSA-N	301.346	2.271	70	20	DEID	
CC(C)c1cc(NS(=O)(=O)c2ccc(Cl)nc2)[nH]n1	160657731	BESRBIHWXIYRFE-UHFFFAOYSA-N	300.771	2.382	70	20	DEID	
C[C@@H](N[C@@H](CN1CCCC1=O)c1ccccc1)[C@@H]1CCOC1	160676716	KKILRAPHCLLTBR-OIISXLGYSA-N	302.418	2.365	70	20	DEID	
COc1cccc(CN(CC(OC)OC)C[C@H]2CCCO2)c1	160699581	FJKBHBRBLRAMCN-MRXNPFEDSA-N	309.406	2.295	70	20	DEID	
Cc1c(CCC(=O)Nc2cnn(-c3ccccc3)c2)cnn1C	160713345	UBOBIRRFZZZWOQ-UHFFFAOYSA-N	309.373	2.486	70	20	DEID	
C[C@H]1CCN(C(=O)Nc2cccnc2-n2cncn2)C[C@H]1C	160730807	WTBCKTMVRRYKOG-NWDGAFQWSA-N	300.366	2.172	70	20	DEID	
COC[C@H](NC(=O)c1c(-c2ccncc2)noc1C)C(C)C	160776512	HNXFYGHHMOXHHV-ZDUSSCGKSA-N	303.362	2.446	70	20	DEID	
CC(C)c1cc(=O)n(CC(=O)NCCC2=CCCCC2)cn1	160862563	MSKGLFRMJJYTNE-UHFFFAOYSA-N	303.406	2.373	70	20	DEID	
CCN(C(=O)C(=O)Nc1cc(C(=O)OC)cs1)C1CCCC1	160904343	UUSQOHGBJKWOLH-UHFFFAOYSA-N	324.402	2.264	70	20	DEID	
CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@H]2CO)s1	159842385	RRYXFQOVSXAMDR-JTQLQIEISA-N	303.449	2.191	70	20	DEID	
CCOC(=O)CN(C)Cc1cccc(C(=O)N2CCCCC2)c1	159520300	LQHFYXOAYXEPNU-UHFFFAOYSA-N	318.417	2.308	70	20	DEID	
CS(=O)(=O)c1ccc(CNCCCN2CCCCC2)cc1	159736867	JWJJAQNYBJDVHD-UHFFFAOYSA-N	310.463	2.056	70	20	DEID	
CC[C@@H]1CCCCN1C(=O)[C@@H](C)SCCN1CCOCC1	159763900	IAQYHVFWTLIYGR-HUUCEWRRSA-N	314.495	2.231	70	20	DEID	
C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)F)cc1	904409741	HIOUOMJVPCBBLI-STQMWFEESA-N	313.350	2.265	70	20	DEID	
O=C(NCC[C@@H]1CCCCO1)c1ccc(S(=O)(=O)F)cc1	864240875	DCQCYVUJRJLPSU-LBPRGKRZSA-N	315.366	2.034	70	20	DEID	
CN(C)c1cncc(NC(=O)c2ccc(S(=O)(=O)F)cc2)c1	864243594	OUTICRKGSDNTJR-UHFFFAOYSA-N	323.349	2.058	70	20	DEID	
CCOCCC1(CNC(=O)N(C)CC2CCN(C)CC2)CC1	161352120	LFRHZXFGZUCUCX-UHFFFAOYSA-N	311.470	2.176	70	20	DEID	
COC(=O)CCC1CCN(Cc2cnc3ccccn23)CC1	161443911	GJEQBNWQNSMECB-UHFFFAOYSA-N	301.390	2.500	70	20	DEID	
CCc1ccc(/C=C/C(=O)N2CCSC[C@@H]2CC(=O)OC)o1	160332032	MEMLGODHDUMKOU-SYTKJHMZSA-N	323.414	2.362	70	20	DEID	
CC1(C)C[C@@H]1C(=O)NCc1cccc(NC(=O)[C@@H]2CCCO2)c1	160379862	ADJWVWQWDHRIGV-CABCVRRESA-N	316.401	2.466	70	20	DEID	
CC(C)CN1CCC[C@@H]1CNC(=O)c1ccc2c(c1)OCO2	160492030	BWANNZOFWVLPPP-CQSZACIVSA-N	304.390	2.266	70	20	DEID	
Cc1cccc([C@@H](C)S(=O)(=O)CCCCS(C)(=O)=O)c1	160505179	DGIWKHCGFXSSOR-CYBMUJFWSA-N	318.460	2.296	70	20	DEID	
Cc1c(C)c(C)c(CNC(=O)NCC(=O)NC2CC2)c(C)c1C	160625472	LTQYNXUCUXDWBJ-UHFFFAOYSA-N	317.433	2.307	70	20	DEID	
C[C@H](c1nc(-c2ccccc2)no1)N1CCC2(C1)OCCO2	160625477	NMHFRIVQPALZQW-GFCCVEGCSA-N	301.346	2.246	70	20	DEID	
CN(C(=O)Nc1ccc(-c2ncn(C)n2)cc1)[C@@H]1CCSC1	160800468	LUZOTXBZGLKHME-CYBMUJFWSA-N	317.418	2.451	70	20	DEID	
COC(=O)[C@@H](C)CN(C(=O)Cc1nc(C)sc1C)C1CC1	160907218	DRBGNYSZZIMMRL-VIFPVBQESA-N	310.419	2.103	70	20	DEID	
COc1cc(C(=O)NC[C@H]2CCOC2)sc1Br	159879494	LEXLEQVEXIFWNN-SSDOTTSWSA-N	320.208	2.286	70	20	DEID	
Cc1cc(NC(=O)[C@H](C)Oc2ccc(F)c(F)c2)c[nH]c1=O	159775078	STNUYSWJLRZCEW-VIFPVBQESA-N	308.284	2.368	70	20	DEID	
Cc1noc(NC(=O)c2ccc(C(=O)NCC(C)(C)C)cc2)n1	161249913	ROOFFSGJQGCFIQ-UHFFFAOYSA-N	316.361	2.406	70	20	DEID	
Cc1ccc(-c2n[nH]c(NC(=O)C[C@H]3COC(=O)C3)c2C)o1	161371444	HULPHALRPRNYAD-SNVBAGLBSA-N	303.318	2.178	70	20	DEID	
O=C([C@@H]1CCCCO1)N1CCCN(Cc2ccc(F)cc2)CC1	161403426	MPIHLRPKDZSQLQ-KRWDZBQOSA-N	320.408	2.429	70	20	DEID	
CC[C@](C)(O)CN1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1	161450089	AOUHDEPWAWATNL-NUJGCVRESA-N	312.498	2.359	70	20	DEID	
COc1cccc(CN(C)C(=O)c2cnc3c(c2)ncn3C)c1	160002954	XPGYBBSIKBWYSN-UHFFFAOYSA-N	310.357	2.249	70	20	DEID	
CCCCN(C)C(=O)C(=O)Nc1cnn(-c2ccccc2)c1C	160285834	QEVLRTUYSGEQLX-UHFFFAOYSA-N	314.389	2.378	70	20	DEID	
CN[C@@H]1CCN(C(=O)c2ccccc2C(=O)c2ccccc2)C1	160465277	JPMBOGSWQGSPEM-OAHLLOKOSA-N	308.381	2.352	70	20	DEID	
CC[C@@H]1COCCN1C(=O)NCCOCc1cccc(OC)c1	160603051	DCEUHGCJERQGPU-OAHLLOKOSA-N	322.405	2.032	70	20	DEID	
Cc1cc(NC(=O)CNC[C@H]2CCCO2)ccc1OC(C)C	160903737	ZGVPGCQRCUWHOH-OAHLLOKOSA-N	306.406	2.489	70	20	DEID	
COCCNCC(=O)Nc1ccc(COC2CCCC2)cc1	159604043	FPKIKOMEYMNYIT-UHFFFAOYSA-N	306.406	2.320	70	20	DEID	
C[C@H](NC(=O)[C@@H]1CC1(C)C)c1ccc(S(=O)(=O)N(C)C)cc1	159807967	SVWOWKDDNKRUAO-FZMZJTMJSA-N	324.446	2.160	70	20	DEID	
CCN1CCCN(C(=O)NCc2ccc(F)c(COC)c2)CC1	159834042	PKPUDLZYVPKXGG-UHFFFAOYSA-N	323.412	2.209	70	20	DEID	
CCNC(=O)C(C)(C)CNC(=O)Nc1ccn(CCC(C)C)n1	159464125	GOPRMGPYEARRIU-UHFFFAOYSA-N	323.441	2.213	70	20	DEID	
CN(C)C(=O)c1ccc(NC(=O)N(C)[C@@H]2CCSC2)cc1	159672550	VUJSJGNRJIRASE-CYBMUJFWSA-N	307.419	2.358	70	20	DEID	
Cc1ccc(NC(=O)C(=O)NCCc2c[nH]c3ccccc23)cn1	159739156	DLSFFXNPOSXDJN-UHFFFAOYSA-N	322.368	2.169	70	20	DEID	
CCc1oc(C(=O)OC)cc1CSCCN1CCOCC1	159770510	KOMSOVATDSYYFP-UHFFFAOYSA-N	313.419	2.194	70	20	DEID	
CC(=O)c1cccc(NC(=O)N[C@@H]2CC(=O)N(C(C)C)C2)c1	217288262	QHURBWGETJNUGD-CQSZACIVSA-N	303.362	2.020	70	20	DEID	
c1ccc(Cn2nnnc2CN2C[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2)cc1	216978623	VGRLLHXTXQDAHP-LUKYLMHMSA-N	309.417	2.199	70	20	DEID	
C[C@H]1CN(Cc2ccccc2)C[C@@H]1Nc1cn[nH]c(=O)c1Cl	160243962	DQDTWUJPTJNRMX-FZMZJTMJSA-N	318.808	2.356	70	20	DEID	
O=C(NCc1cc2ccccc2[nH]1)c1cc(S(=O)(=O)F)c[nH]1	1528214713	MGTDYKAYIATUHG-UHFFFAOYSA-N	321.333	2.084	70	20	DEID	
COc1ccc(NC(=O)Cn2nc(C)c(Cl)c2C)cc1N	161277867	ZRDFAKADBYPIGE-UHFFFAOYSA-N	308.769	2.383	70	20	DEID	
Cn1nccc1CSc1nnc(NC[C@H]2CCCO2)s1	161303914	YNLKJTADAZDXQI-SNVBAGLBSA-N	311.436	2.155	70	20	DEID	
CCc1n[nH]c(-c2ccccc2NC(=O)CCn2cccn2)n1	161311790	RGVJYNQJOVSEQU-UHFFFAOYSA-N	310.361	2.259	70	20	DEID	
Cc1ccccc1S(=O)(=O)N1CCC[C@H]1[C@H](O)C(F)(F)F	161504867	JSAQPEUWWUIZKW-JQWIXIFHSA-N	323.336	2.071	70	20	DEID	
COC[C@@H](O)CCNC(=O)Nc1ccc(COC(C)C)cc1	160197387	CWRIWAYWRIWWTJ-HNNXBMFYSA-N	310.394	2.131	70	20	DEID	
CN(C(=O)Nc1ccccc1S(C)(=O)=O)[C@H]1CCSC1	160198013	APCKUXQVUOPZAL-JTQLQIEISA-N	314.432	2.059	70	20	DEID	
CC(=O)N1CCC[C@@H](C(=O)Nc2cccc(OCCF)c2)C1	160486453	MVEXXQLAEVXSKG-CYBMUJFWSA-N	308.353	2.232	70	20	DEID	
COc1cc(/C=C/C(=O)N(C)[C@@H](C)CO)ccc1OC(F)F	160516844	PWRHSXDFAYGDES-STUBTGCMSA-N	315.316	2.149	70	20	DEID	
COc1ccc([C@H](C)[C@H](C)NCC(=O)NCC(F)(F)F)cc1	160586812	YZENRXCMZLLDKX-MNOVXSKESA-N	318.339	2.455	70	20	DEID	
CCc1ncnc(N2CCN(c3cc(C)ccn3)CC2)c1F	160654699	OKQGXIXDMXVQAE-UHFFFAOYSA-N	301.369	2.208	70	20	DEID	
CN(CCNC(=O)C[C@@H]1CSCCS1)Cc1ccccc1	160677325	QJHSLBVIGXMWAA-OAHLLOKOSA-N	324.515	2.473	70	20	DEID	
CNC(=O)COc1cccc(CC(=O)N2[C@@H](C)CCC[C@@H]2C)c1	160764281	PUTVKQGUJSZISY-KBPBESRZSA-N	318.417	2.143	70	20	DEID	
CC(C)CC(=O)NCCC(=O)N1CCc2c(F)cccc2C1	160976901	XXHGPSYLBCTUCD-UHFFFAOYSA-N	306.381	2.263	70	20	DEID	
CC(C)OC(=O)CCCNC(=O)NCCN(C)c1ccccc1	159526504	JUDWPYWZVWAYQD-UHFFFAOYSA-N	321.421	2.154	70	20	DEID	
CCn1cc(C(=O)NC[C@H](C[C@H](C)O)c2ccccc2)cn1	159730906	OKWZOEVRYFQADK-ZFWWWQNUSA-N	301.390	2.188	70	20	DEID	
Cc1n[nH]c(C)c1[C@H](C)CC(=O)NCCCC(=O)OC(C)C	159379125	VWRZFXQSPPUZBJ-LLVKDONJSA-N	309.410	2.368	70	20	DEID	
CS[C@@H](C)CNC(=O)CCc1ccc(S(=O)(=O)F)cc1	1340578382	GISVGBYHHCNFFO-JTQLQIEISA-N	319.423	2.145	70	20	DEID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)c1cnc2n1CCCC2	368383337	OHBIMYGVISVXFM-UHFFFAOYSA-N	323.349	2.130	70	20	DEID	
CC(C)n1nccc1C(=O)Nc1cccc(S(=O)(=O)F)c1	460098358	ZUAXNURLCFMBEV-UHFFFAOYSA-N	311.338	2.375	70	20	DEID	
Cc1cc(NC(=O)c2cccc(S(=O)(=O)F)c2)cnc1O	1337519778	IPKLOOIJPWYIQI-UHFFFAOYSA-N	310.306	2.006	70	20	DEID	
CCCN(Cc1cnn(C(C)(C)C)c1)[C@H]1CCS(=O)(=O)C1	161118514	OCIOBHXVCAGZHY-AWEZNQCLSA-N	313.467	2.037	70	20	DEID	
Cc1ccc(C(N)=O)cc1NC(=O)NC1C[C@@H](C)O[C@H](C)C1	160023565	VJERCMBGQUYPAM-GHMZBOCLSA-N	305.378	2.171	70	20	DEID	
COC(=O)c1cccc(CC(=O)N(C[C@@H]2CCOC2)C2CC2)c1	160071006	UJXMJYHUBAIYTP-AWEZNQCLSA-N	317.385	2.043	70	20	DEID	
Cc1conc1NC(=O)C(=O)NCc1ccc(OC(C)C)cc1	160138589	KDNNLRQCRAVCSY-UHFFFAOYSA-N	317.345	2.025	70	20	DEID	
CCCN(CC1CC1)S(=O)(=O)N[C@H](C)c1cccc(O)c1	160169612	JTAAAXOXCDOOFX-GFCCVEGCSA-N	312.435	2.410	70	20	DEID	
COc1ccccc1CCN(C)C(=O)c1cnc2c(c1)ncn2C	160396290	RMBMYURTTUXYMI-UHFFFAOYSA-N	324.384	2.292	70	20	DEID	
Cn1cnc(-c2ccc(NC(=O)NC[C@@H]3CCCCO3)cc2)n1	160471673	HSKVZKFIEXQBTD-AWEZNQCLSA-N	315.377	2.173	70	20	DEID	
COCCNCC(=O)Nc1nc2ccccc2n1C1CCCC1	160532077	JVIGFESMQNAPFD-UHFFFAOYSA-N	316.405	2.326	70	20	DEID	
CC(C)CN1CCC[C@@H]1CNC(=O)[C@@H]1COc2ccccc2O1	160537501	KDTYBPOJPMERPD-PBHICJAKSA-N	318.417	2.063	70	20	DEID	
CCOC(=O)NCCCC(=O)N[C@H](C)COc1cccc(C)c1	160573637	ABPTWCOVPKZCRY-CQSZACIVSA-N	322.405	2.405	70	20	DEID	
O=C(Nc1nnc2ccccn12)N1CCc2cccc(F)c2C1	160721749	WYDKEPHLGWTLBL-UHFFFAOYSA-N	311.320	2.459	70	20	DEID	
C[C@@H]1CCC[C@@H](C(=O)N2CCC(CN3CCOCC3)CC2)C1	160735946	RPNFVJLDNJPEGA-NVXWUHKLSA-N	308.466	2.384	70	20	DEID	
CC(C)c1cc(=O)n(CC(=O)c2ccc3c(c2)OCCO3)cn1	160801677	NCGXNULIFLNDSF-UHFFFAOYSA-N	314.341	2.021	70	20	DEID	
CCN(Cc1c(F)cccc1F)C(=O)C(=O)Nc1nocc1C	160948523	FCCBVXZSONDIIT-UHFFFAOYSA-N	323.299	2.248	70	20	DEID	
O=C(Nc1cccn(CC(F)(F)F)c1=O)c1cscn1	159809968	YPCMWQWPZDOJCF-UHFFFAOYSA-N	303.265	2.119	70	20	DEID	
CCC(CC)(CNCC(=O)N(C)C1CCCCC1)C(=O)OC	159679062	HMSKAIXXKZIFSJ-UHFFFAOYSA-N	312.454	2.347	70	20	DEID	
C[C@@H]1CN(C(=O)CCc2cc3ccccc3[nH]c2=O)[C@H](C)CO1	159752513	DMTDRZLPDDFSGG-CHWSQXEVSA-N	314.385	2.097	70	20	DEID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)C1SCCS1	274976165	OQXWBDFCYUZFKJ-UHFFFAOYSA-N	307.393	2.089	70	20	DEID	
O=C(Nc1cccc(S(=O)(=O)F)c1)c1cn2c(n1)CCCC2	460096492	UQMRMUYWHCFPII-UHFFFAOYSA-N	323.349	2.130	70	20	DEID	
CSCC[C@@H](C)NC(=O)Cc1ccc(S(=O)(=O)F)cc1	1121031220	CZLNCFIBUCRMNL-SNVBAGLBSA-N	319.423	2.145	70	20	DEID	
CN(Cc1cscn1)C(=O)c1cccc(S(=O)(=O)F)c1	1120865938	CCNRYCPKMBEULT-UHFFFAOYSA-N	314.363	2.074	70	20	DEID	
O=C(OC[C@@H]1CCC[C@H](O)C1)c1cccc(S(=O)(=O)F)c1	1333519126	LTLXMFLKIVATBS-PWSUYJOCSA-N	316.350	2.053	70	20	DEID	
CC(C)(CF)NC(=O)c1cc(S(=O)(=O)F)ccc1Cl	1262803541	KNKZWTCZEFMNRY-UHFFFAOYSA-N	311.737	2.476	70	20	DEID	
CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NC[C@H](C)CCO	161075266	MZLRWJSKEJLFNB-CXAGYDPISA-N	316.401	2.085	70	20	DEID	
Cc1noc(C)c1S(=O)(=O)Nc1cccc(OCCF)c1	161211883	KXSQTHPOEIFDSO-UHFFFAOYSA-N	314.338	2.441	70	20	DEID	
CC(C)(C)CN(CCCO)S(=O)(=O)Cc1ccccc1F	161350757	OPCICSXHCYJNCX-UHFFFAOYSA-N	317.426	2.386	70	20	DEID	
COC(=O)CN(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1	161387159	YJAJUKKCOYCMAM-UHFFFAOYSA-N	305.353	2.253	70	20	DEID	
COc1cccc2c1CC[C@H]2NC(=O)CCOC1CCOCC1	160071049	HEPOJKCHJAUUIV-MRXNPFEDSA-N	319.401	2.384	70	20	DEID	
CC(C)(C)c1cnc([S@](=O)CCCCS(C)(=O)=O)s1	160487863	RHHXMAJRJURDOX-SFHVURJKSA-N	323.505	2.373	70	20	DEID	
Cc1cccc(OC[C@H](C)NC(=O)NCc2cnn(C)c2C)c1	160505767	NXBNJLXQYQAJEU-ZDUSSCGKSA-N	316.405	2.304	70	20	DEID	
Cc1cc(C(=O)NCCc2csc(C(C)(C)C)n2)nc(O)n1	160724912	JBJZIBIZYCARAB-UHFFFAOYSA-N	320.418	2.217	70	20	DEID	
Cc1noc2nc(C(C)C)cc(C(=O)N3CCCNCC3)c12	160836075	ADUBZZPODXCSBX-UHFFFAOYSA-N	302.378	2.090	70	20	DEID	
O=C(NC[C@@H]1CSCCS1)N[C@@H]1CCO[C@@H](C2CC2)C1	159828178	WACKRPSZROYXTP-JHJVBQTASA-N	316.492	2.092	70	20	DEID	
C[C@@H](CCn1cccn1)Nc1cccc(CS(C)(=O)=O)c1	159433924	OKWPRLIDZRYOKA-ZDUSSCGKSA-N	307.419	2.318	70	20	DEID	
CCN1CCCN(C(=O)NC[C@@H]2CCOc3ccccc32)CC1	159837071	UWGSPNGIXCEJBU-HNNXBMFYSA-N	317.433	2.290	70	20	DEID	
CC(C)[C@@H]1CN(C)CCN1C(=O)N[C@@H](C)c1cccc(O)c1	159786637	BEXFAGFSYMOHLP-BBRMVZONSA-N	305.422	2.435	70	20	DEID	
COC(C)(C)CNC[C@H](O)COCc1ccc(Cl)cc1	160263293	GZEVNVKRHKTJNK-AWEZNQCLSA-N	301.814	2.232	70	20	DEID	
CCOC(=O)N1CCN(c2cc(Cl)nc(C3CC3)n2)CC1	217953670	KVXHANFEWRIHNF-UHFFFAOYSA-N	310.785	2.286	70	20	DEID	
COCC(C)(C)N(C)C(=O)c1ccc(S(=O)(=O)F)cc1C	1354982471	XENIJNDVJAOOEG-UHFFFAOYSA-N	317.382	2.150	70	20	DEID	
CCN(CC(=O)N(C)C1CCC(C)CC1)Cc1cnn(C)c1	161092823	KCMULDFPECHDGO-UHFFFAOYSA-N	306.454	2.279	70	20	DEID	
C[C@H](NC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)[C@@H]1CN(C)CCO1	160552709	YDEIEKCBZXPBBF-SIRPWMCASA-N	308.466	2.428	70	20	DEID	
CC(C)[C@@H](CCO)NC(=O)C[C@@H]1Sc2ccccc2NC1=O	160587860	BZIHQWHGIKTPLV-RISCZKNCSA-N	322.430	2.013	70	20	DEID	
CC[C@H](O)CCNC(=O)NCCN(CC)c1cccc(C)c1	160751534	KOSPSZHDJUAZNF-INIZCTEOSA-N	307.438	2.282	70	20	DEID	
CCCOc1ccc(CNC(=O)N2CCC([C@H](C)O)CC2)cn1	159402770	MQEUHCOWXNRLOU-ZDUSSCGKSA-N	321.421	2.173	70	20	DEID	
Cc1ccc(S(=O)(=O)NCCSCCCO)c(Cl)c1	161314590	OUVRLSMASQPQQN-UHFFFAOYSA-N	323.867	2.042	70	20	DEID	
Cc1ncc(C(=O)Nc2ccc(S(=O)(=O)F)cc2)s1	187232234	JPVGWGHEZBWEGG-UHFFFAOYSA-N	300.336	2.362	70	20	DEID	
O=C(Nc1cccc(S(=O)(=O)F)c1)[C@@H]1CSCCS1	460088455	CROKBBCVRDUTHQ-JTQLQIEISA-N	321.420	2.132	70	20	DEID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)C1CCSCC1	274974281	OFVKVGVGHFTHOY-UHFFFAOYSA-N	303.380	2.427	70	20	DEID	
Cc1ccc(NC(=O)[C@H]2CCO[C@H]2C)cc1S(=O)(=O)F	857675666	WVCUXMBAWQSFBW-ONGXEEELSA-N	301.339	2.017	70	20	DEID	
CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C1(NC(N)=O)CC1	161000882	PMAYINNBFGGWIS-UHFFFAOYSA-N	316.188	2.153	70	20	DEID	
COC(=O)c1csc(NC(=O)NCc2c(C)nn(C)c2C)c1	161026063	AXDPMBMGSFWXCM-UHFFFAOYSA-N	322.390	2.207	70	20	DEID	
COC[C@@H](NCc1ccccc1CN1CCC(O)CC1)C(C)C	161212961	VYMKYAITLRZEPD-LJQANCHMSA-N	320.477	2.404	70	20	DEID	
CCCCCN(CCO)C(=O)N[C@@H]1CCN(C2CCCC2)C1	160794565	GMVOWLDRKSITRP-OAHLLOKOSA-N	311.470	2.197	70	20	DEID	
C[C@H](CC(=O)c1cccs1)NC(=O)CCCC(=O)N(C)C	160947291	XVYRDAFUHVJMRJ-LLVKDONJSA-N	310.419	2.084	70	20	DEID	
CCOC(=O)CN(C)[C@@H](C)C(=O)N1c2ccccc2CC[C@@H]1C	159514957	ZMHLYLGNTWTFRW-KBPBESRZSA-N	318.417	2.238	70	20	DEID	
C[C@@H]1CCN(S(=O)(=O)c2cn(C)c(Cl)n2)C[C@H](C)C1	159726915	UMMFRFSFJLEPKH-NXEZZACHSA-N	305.831	2.130	70	20	DEID	
Cc1cnccc1CCNC(=O)NC[C@H](C)CN1CCCCC1	159759293	ZKAMNOZLAYDUOD-HNNXBMFYSA-N	318.465	2.354	70	20	DEID	
C[S@@](=O)c1ccc(C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]23)cc1	159790172	SBWHBEHSSVNTEJ-JRMKUOIOSA-N	307.415	2.111	70	20	DEID	
COc1cccc2c1CC[C@H]2NC(=O)[C@@H]1CCCN(C(C)=O)C1	159996552	HUDTVDZUFISBJP-CZUORRHYSA-N	316.401	2.057	70	20	DEID	
COc1cccc(CNC(=O)NCc2ccc(CO)cc2)c1	217314683	UDLNGMSSRFAZSG-UHFFFAOYSA-N	300.358	2.187	70	20	DEID	
CCN(CCNC[C@H](O)COc1ccc(Cl)cc1)C1CC1	218310098	MWORHVLJYXINJM-HNNXBMFYSA-N	312.841	2.154	70	20	DEID	
Cn1nc(NC(=O)c2ccc(S(=O)(=O)F)cc2)cc1C1CC1	864241744	JULJYZUPLNWCPF-UHFFFAOYSA-N	323.349	2.208	70	20	DEID	
CC[C@H](C)[C@H](CNC(=O)c1ccc(S(=O)(=O)F)cc1)OC	864244183	NBZKNWHQVPDRKN-GWCFXTLKSA-N	317.382	2.136	70	20	DEID	
CC[C@@](C)(OC)C(=O)Nc1ccc(F)c(CS(=O)(=O)F)c1	876318264	AIPCCIGFCCJSQK-CYBMUJFWSA-N	321.345	2.379	70	20	DEID	
CC(C)CCN(C)C(=O)Cc1ccc(S(=O)(=O)F)cc1	1337995417	VOVCJHPRFRPUMZ-UHFFFAOYSA-N	301.383	2.392	70	20	DEID	
CCC1(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCCC1	1338391276	YNEOIFHBBWZFSU-UHFFFAOYSA-N	302.371	2.373	70	20	DEID	
O=C(Cc1ccccc1Br)NC1C[C@@H]2CC[C@H](C1)N2	217917801	JTPRTRRMYQCMDR-FUNVUKJBSA-N	323.234	2.391	70	20	DEID	
COc1cc(C(=O)N[C@H](C)c2cccnc2)cc(OC)c1O	161042986	ZIJAGMBKIWRUGR-SNVBAGLBSA-N	302.330	2.295	70	20	DEID	
CCN(Cc1cnn(C)c1)[C@@H](C)C(=O)NCc1ccccc1F	161118294	ZNYKFVXMIHEYMT-ZDUSSCGKSA-N	318.396	2.086	70	20	DEID	
CCC(CC)(CN)C(=O)NCCc1ccc(-n2cccn2)cc1	161170496	RASYFYCDBRNMLC-UHFFFAOYSA-N	314.433	2.296	70	20	DEID	
Cc1ccc(F)c(OCC(=O)N2CCC[C@H](CCC(N)=O)C2)c1	161326186	AJCKSDHMWJQSTH-CYBMUJFWSA-N	322.380	2.017	70	20	DEID	
COc1ccc(CN(C)C(=O)[C@H]2CCn3ccnc3C2)cc1C	161376765	QSVJVKFADMSWFU-HNNXBMFYSA-N	313.401	2.421	70	20	DEID	
Cc1nc(CCNC(=O)N(C)CC2CCOCC2)sc1C	160045071	ARDNQZGDAWZTEB-UHFFFAOYSA-N	311.451	2.370	70	20	DEID	
Cc1ccsc1CCCC(=O)N1CCC[C@H]1C(=O)N(C)C	160158134	QJNOBWPBQYTNFM-ZDUSSCGKSA-N	308.447	2.458	70	20	DEID	
CC(C)CCS(=O)(=O)N1CCC[C@H](N2CCCC2)CC1	160162679	JMSPWOJEENKEBL-HNNXBMFYSA-N	302.484	2.313	70	20	DEID	
CC[C@@H](NC(=O)[C@@H](C)Sc1nncn1C)c1c(C)noc1C	160402713	JNRKXUIMZGLTAF-GHMZBOCLSA-N	323.422	2.168	70	20	DEID	
O=C(Nc1cccc(N2CCCC2=O)c1)N[C@H]1CC[C@H](O)CC1	160428895	MXGNANLMYOIZML-JNSHFYNHSA-N	317.389	2.238	70	20	DEID	
Cc1ccc([C@@H]2COCCN2C(=O)[C@H]2CCC(=O)C[C@@H]2C)o1	160677062	PLPHLOAXZJZOSE-CQDKDKBSSA-N	305.374	2.493	70	20	DEID	
Cc1nnc(CSc2nc(Cc3cccs3)n[nH]2)n1C	160984986	LEAQJLBOKLZSKQ-UHFFFAOYSA-N	306.420	2.186	70	20	DEID	
CCS(=O)(=O)c1ccc(C(=O)N(C)Cc2cccn2C)cc1	160989258	QTJMIQWUYNLYAN-UHFFFAOYSA-N	320.414	2.091	70	20	DEID	
CCOCCC1(CNC(=O)NCc2nccn2C(F)F)CC1	159810068	PFGQWFDRPBKSOB-UHFFFAOYSA-N	316.352	2.284	70	20	DEID	
COc1ccc(C)c2c1N(CC(=O)NC[C@H]1CCCO1)CCC2	159699399	UOOSHTZHTARUFJ-CQSZACIVSA-N	318.417	2.051	70	20	DEID	
C[C@]1(CNC(=O)c2ncn(-c3ccccc3)n2)CCCS1	159911970	FDNQHEBZZNIBJT-OAHLLOKOSA-N	302.403	2.283	70	20	DEID	
COc1ccc(OCCC(=O)NC[C@@H](O)c2ccsc2)cc1	159520208	RLOUAOFFJJHGMX-OAHLLOKOSA-N	321.398	2.375	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)C(C)(C)c1ccc(OC)cc1	159553502	NLIKMWANXBHAGI-GFCCVEGCSA-N	307.390	2.431	70	20	DEID	
CN(OCc1ccccc1)[C@@H]1CCN(CC(F)(F)F)C1=O	159639534	QZUWDNRBNDVKPA-GFCCVEGCSA-N	302.296	2.213	70	20	DEID	
O=C(Cc1cccc(Br)c1)N1CCc2[nH]ncc2C1	161286671	FGGNRVNJOPHMLQ-UHFFFAOYSA-N	320.190	2.300	70	20	DEID	
CC[C@H](C)[C@@H](OC)C(=O)Nc1ccc(S(=O)(=O)F)cc1	460093723	QBGPZURKFAORJZ-JOYOIKCWSA-N	303.355	2.344	70	20	DEID	
O=C(CCOc1ccc(F)cc1Cl)N[C@@H]1CCC[C@H]1O	161107740	FCWGGQMLPCJMKQ-VXGBXAGGSA-N	301.745	2.278	70	20	DEID	
COCCCOc1cccc(CNC(=O)N2CCSCC2)c1	161153753	BNWZWUAKMINHQM-UHFFFAOYSA-N	324.446	2.360	70	20	DEID	
Cc1cc(C)cc(NC(=O)C(=O)N[C@H](C)C2CCOCC2)c1	161168258	RSDDVVQBWLPWJM-CYBMUJFWSA-N	304.390	2.173	70	20	DEID	
COC1(C(=O)N2CC[C@@H](c3ccccc3)[C@H](C)C2)CCNCC1	161238185	UDTFHQIPZURXBE-NVXWUHKLSA-N	316.445	2.407	70	20	DEID	
CSCC[C@H](N)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21	161394146	WRWRFTMBTRRYMY-STQMWFEESA-N	308.447	2.485	70	20	DEID	
C[C@@]1(c2cc(F)cc(F)c2)NC(=O)N(Cc2nccs2)C1=O	161411790	YBEIQFDBRLJEIA-AWEZNQCLSA-N	323.324	2.389	70	20	DEID	
CNC(=O)c1cccc(NC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)c1	161414011	SDDSLMLKZQROQR-CABCVRRESA-N	317.389	2.125	70	20	DEID	
CN(c1ccccc1NC(=O)C[C@@H]1C=CCC1)S(C)(=O)=O	161422042	UPYSOZFMCJQQQV-GFCCVEGCSA-N	308.403	2.377	70	20	DEID	
Cc1cc(O)cc(=O)n1CC(=O)N[C@H](C)c1ccc(F)cc1F	161434245	YXQLAHHHFQNVCI-SNVBAGLBSA-N	322.311	2.018	70	20	DEID	
C[C@H](NC(=O)CN(C)[C@@H](CN)C1CC1)c1ccccc1Cl	160004571	HDHANFSBDZHNLU-NHYWBVRUSA-N	309.841	2.186	70	20	DEID	
CNC(=O)[C@H]1CCCCN1C(=O)c1cc(F)cc2cccnc12	160033615	XEBUMAVMDBXIFG-CQSZACIVSA-N	315.348	2.115	70	20	DEID	
CCN1C[C@@H](C(=O)O[C@H](c2ccccn2)C(F)(F)F)CC1=O	160228036	RPWQRAKNXJAGCQ-JOYOIKCWSA-N	316.279	2.097	70	20	DEID	
Cn1cc(NC(=O)N2CCO[C@@]3(CCc4ccccc43)C2)cn1	160365426	WVAJRFFSAABKHJ-KRWDZBQOSA-N	312.373	2.126	70	20	DEID	
CN(C)C[C@@H]1CCN(C(=O)Cc2cc(F)c(F)cc2F)C1	160370251	XUGJASHSTYMDRZ-JTQLQIEISA-N	300.324	2.057	70	20	DEID	
COc1cccc(CCCNC(=O)N(C)C[C@H]2CCC[C@H]2O)c1	160600196	QIHNVILBERCLRE-NVXWUHKLSA-N	320.433	2.430	70	20	DEID	
CSC[C@H]1CCCN1C(=O)c1ncn(-c2ccccc2)n1	160627638	FSPONNDNQJOEPJ-CYBMUJFWSA-N	302.403	2.235	70	20	DEID	
O=C(C[C@H]1COC(=O)C1)Nc1nc(CN2CCCCC2)cs1	160831756	FZSYWSSUQQNWEV-LLVKDONJSA-N	323.418	2.021	70	20	DEID	
Cc1cc(S(=O)(=O)NCC2(O)CCCCC2)c(F)cc1F	159814431	RLEZCXZQWFHIFX-UHFFFAOYSA-N	319.373	2.247	70	20	DEID	
CCN(CCCNCc1coc2ccccc12)S(C)(=O)=O	159820794	BMCFURZTCFKUOK-UHFFFAOYSA-N	310.419	2.194	70	20	DEID	
C[C@H](CC(=O)N1CCC[C@H](CCC(N)=O)C1)c1ccncc1	159860745	XPRIJQMIRJSVNH-ZIAGYGMSSA-N	303.406	2.079	70	20	DEID	
NC(=O)[C@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)cc1	159860763	JCBCJEYSRPCJJO-LLVKDONJSA-N	300.280	2.185	70	20	DEID	
CC[C@H]1CCC[C@H]1NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1	159700257	JQFICNMECJJOJH-GZBFAFLISA-N	304.390	2.323	70	20	DEID	
C[C@H]1CCCCN1CCCCNC(=O)[C@H](O)c1ccccc1	159594806	ZAIYVZJASJSJRY-DOTOQJQBSA-N	304.434	2.491	70	20	DEID	
COC[C@@H](O)CCNC(=O)CSCc1cccc(Cl)c1	161076121	SSKQAROWCQRUPR-ZDUSSCGKSA-N	317.838	2.087	70	20	DEID	
COc1ccc(CCNC(=O)N[C@H]2CCOC(C)(C)C2)cc1	161007705	PZQNJYVRSJFTOX-AWEZNQCLSA-N	306.406	2.495	70	20	DEID	
CN(CC(=O)NCCc1cc2ccccc2[nH]1)[C@@H]1CCSC1	161446919	AKZAXXIHQLGSIB-OAHLLOKOSA-N	317.458	2.264	70	20	DEID	
CCN1CCCN(C(=O)NC[C@H]2[C@H]3Cc4ccccc4[C@H]23)CC1	160011298	QPZSTWDPWIUDHL-SQNIBIBYSA-N	313.445	2.310	70	20	DEID	
COC(=O)CN1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1	160151341	ADUIJIFTSCXJBM-LBPRGKRZSA-N	319.336	2.228	70	20	DEID	
Cn1cnc2cc(C(=O)N[C@H]3CCc4c(O)cccc43)cnc21	160499246	UFDUHPBEOGXRCP-ZDUSSCGKSA-N	308.341	2.091	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)c1cc(-c2ccccc2)no1	160575067	IQZDCQQXMKQDDM-LLVKDONJSA-N	302.330	2.413	70	20	DEID	
CC[C@H](NC(=O)Nc1ccc(F)c(C(N)=O)c1)[C@H]1CCCO1	160775646	YZKYJYZAMPMMIG-QWHCGFSZSA-N	309.341	2.004	70	20	DEID	
C[C@H](CC(=O)c1cccs1)NC(=O)CCn1ccccc1=O	160837551	RBTKWWBXFLACAU-GFCCVEGCSA-N	318.398	2.078	70	20	DEID	
CC(C)CONC(=O)Nc1ccc(CS(C)(=O)=O)c(F)c1	160982268	SSMSHPPIMWXEOU-UHFFFAOYSA-N	318.370	2.079	70	20	DEID	
CC(=O)N1CC[C@@H](NC(=O)C(C)(C)c2cccc(Cl)c2)C1	159843879	WUJLDCFHYZGNOU-CQSZACIVSA-N	308.809	2.355	70	20	DEID	
CN(C(=O)NC[C@@]1(C)CCCO1)[C@@H]1CCCc2c1cnn2C	159548370	IWINIRQMCSGOHT-CZUORRHYSA-N	306.410	2.008	70	20	DEID	
CCN1CCCN(C(=O)N[C@@H]2COc3ccc(C)cc32)CC1	159999920	MTFVUTLIRCBSFN-OAHLLOKOSA-N	303.406	2.166	70	20	DEID	
CC(C)N1C[C@@H](NC(=O)NCCc2ccc(Cl)cc2)CC1=O	217289255	XCJDKOYONGFVSA-AWEZNQCLSA-N	323.824	2.191	70	20	DEID	
CC(C)NC(=O)C[C@@H]1CSCCN1C(=O)OC(C)(C)C	160960009	OWTPGRYPAKFXLG-LLVKDONJSA-N	302.440	2.254	70	20	DEID	
O=C(OC[C@@H]1CCC[C@H](O)C1)c1ccc(S(=O)(=O)F)cc1	490536351	JDBCVJYTTDPJLG-PWSUYJOCSA-N	316.350	2.053	70	20	DEID	
CC(C)OCCCCNC(=O)c1cccc(S(=O)(=O)F)c1	1354470176	WXKLPBAQLDZUTE-UHFFFAOYSA-N	317.382	2.280	70	20	DEID	
CCc1n[nH]c(-c2ccccc2NC(=O)C2CCN(C)CC2)n1	161130288	UWFCXXNJISZYFS-UHFFFAOYSA-N	313.405	2.314	70	20	DEID	
Cc1sc2nc(CN3C[C@@H](C)OC[C@@H]3C)[nH]c(=O)c2c1C	161375937	XKZJHXYINGEBJS-DTWKUNHWSA-N	307.419	2.211	70	20	DEID	
Cc1cccc(N2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)c1	160209812	QKBFKOFKWYKAJE-QGZVFWFLSA-N	303.450	2.230	70	20	DEID	
COc1c(CNC(=O)N2CCc3sccc3C2)c(C)nn1C	160349042	CRUKKXTWOKNJCU-UHFFFAOYSA-N	320.418	2.067	70	20	DEID	
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NC[C@H](C)CO	160411401	HBOHWGOMHAZPNP-NSHDSACASA-N	321.808	2.251	70	20	DEID	
O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)N1CCC(n2ccnc2)CC1	160424458	BYXFGCGRUYRJHL-GDBMZVCRSA-N	318.421	2.187	70	20	DEID	
CCC(CC)CNC(=O)N1CCNC(=O)[C@@H]1c1ccccc1	160536598	SOZNWGXUAKRPAH-HNNXBMFYSA-N	303.406	2.305	70	20	DEID	
CCOC(=O)c1ccc(NC(=O)N[C@H]2CC[C@H](O)CC2)cc1	160736360	XAQPXBVAAIXHPX-OKILXGFUSA-N	306.362	2.288	70	20	DEID	
CCNC(=O)COc1cccc(N[C@@H](C)C(=O)OC(C)(C)C)c1	160744287	ZLGUPIGOWLECCK-LBPRGKRZSA-N	322.405	2.344	70	20	DEID	
COc1ncccc1NC(=O)c1ccc(C(=O)NC(C)C)cc1	160795169	XGJFCAYCAXCTTL-UHFFFAOYSA-N	313.357	2.481	70	20	DEID	
CC[C@H](O)CCNC(=O)NCc1ccccc1CN(CC)CC	160829213	YQPSVGMXWMJKJC-KRWDZBQOSA-N	321.465	2.489	70	20	DEID	
Cc1noc(C)c1[C@H](C)CNC(=O)NC[C@H](C)CN1CCCC1	159660982	CGCUBZOAEWZSCG-QWHCGFSZSA-N	322.453	2.426	70	20	DEID	
NC(=O)[C@@H]1CCCCN1C(=O)c1cc(Cl)cc(Cl)c1	159861718	UIHVPYAEFAOTOK-NSHDSACASA-N	301.173	2.473	70	20	DEID	
CCc1noc(C)c1NC(=O)Nc1ccnn1C[C@@H]1CCOC1	159936738	OZPWSVALWXPQBP-NSHDSACASA-N	319.365	2.422	70	20	DEID	
COc1cc([C@@H](C)NCCc2cnn(C)c2)cc(OC)c1OC	159745880	YRYMFWLGQVHKLB-GFCCVEGCSA-N	319.405	2.339	70	20	DEID	
Cn1ncc(C2CC2)c1C(=O)Nc1ccc(S(=O)(=O)F)cc1	460096577	UVKNHBZACNYMBX-UHFFFAOYSA-N	323.349	2.208	70	20	DEID	
COC1(CCOC(=O)c2ccc(S(=O)(=O)F)cc2)CCC1	490538163	XHEKAODQUPAMKF-UHFFFAOYSA-N	316.350	2.461	70	20	DEID	
CSC[C@H](C)NC(=O)CCc1ccc(S(=O)(=O)F)cc1	1337257964	FDDINVCTDWHYSI-JTQLQIEISA-N	319.423	2.145	70	20	DEID	
CS[C@H](C)CNC(=O)CCc1ccc(S(=O)(=O)F)cc1	1340578383	GISVGBYHHCNFFO-SNVBAGLBSA-N	319.423	2.145	70	20	DEID	
Cc1cc(C)cc(NC(=O)Cn2c(-c3cccnc3)noc2=O)c1	161271876	ZGTVCRBWYWABHP-UHFFFAOYSA-N	324.340	2.154	70	20	DEID	
CCN(CCCN1CCCCC1)[C@H](C)CS(=O)(=O)CC	161358281	UURKWXRZFKLMFU-OAHLLOKOSA-N	304.500	2.008	70	20	DEID	
C[C@@H](NC(=O)Nc1ccccc1OCCC(N)=O)C1CCC1	161392562	FDRICODWIRRJRT-LLVKDONJSA-N	305.378	2.251	70	20	DEID	
Cc1ccc(NC(=O)N(CCN(C)C)Cc2ccccn2)cn1	161464219	UXDPRQBQICBSOY-UHFFFAOYSA-N	313.405	2.381	70	20	DEID	
Cc1cc(C(=O)NCc2ccc(C(N)=O)cc2)cc(C)c1F	160253035	GZONSJYWMKPESH-UHFFFAOYSA-N	300.333	2.471	70	20	DEID	
Cn1c(=O)oc2c(C(=O)NC[C@H]3Cc4ccccc43)cccc21	160291198	NBFFBRVZWPRFPR-GFCCVEGCSA-N	308.337	2.201	70	20	DEID	
COCCN(Cc1ccccc1)Cc1ccc(C(=O)N(C)C)[nH]1	160441777	ZWJHZBLTGQEJAD-UHFFFAOYSA-N	315.417	2.365	70	20	DEID	
Cc1nc2n(n1)C[C@@H](N[C@H](C)c1ccc(-n3ccnc3)cc1)CC2	160485086	OTNRUEDIBNVWFN-CJNGLKHVSA-N	322.416	2.438	70	20	DEID	
CN[C@H]1CCN(C(=O)C2(c3cccc(Br)c3)CC2)C1	160613053	QOHQBSGJHFDVFS-ZDUSSCGKSA-N	323.234	2.301	70	20	DEID	
CC[C@@H]1CN(C(=O)Nc2ccn(CC(F)(F)F)n2)C[C@@H](C)O1	160704862	PZDJHRPIJWMWLO-NXEZZACHSA-N	320.315	2.477	70	20	DEID	
CC(C)n1nccc1C(=O)NCC(C)(C)N1C[C@H](C)O[C@H](C)C1	160968176	BIZPQWIFBYBDCU-OKILXGFUSA-N	322.453	2.082	70	20	DEID	
Cc1nnc(CSc2nnc(-c3ccc(F)cc3)n2C)n1C	160969600	MKKPAOZGVCHWBO-UHFFFAOYSA-N	318.381	2.350	70	20	DEID	
COCCC1(C(=O)NCCN2CCc3sccc3C2)CC1	159631108	GMHRTPKKLQYGAF-UHFFFAOYSA-N	308.447	2.039	70	20	DEID	
C[C@H]1CSc2ccccc2N(C(=O)C(=O)c2cnn(C)c2)C1	159693173	OOASDNUDCUMHHI-LLVKDONJSA-N	315.398	2.378	70	20	DEID	
Cc1ccc(S(=O)(=O)NC[C@@H](O)C2CCCCC2)c(F)c1	159568087	IKWDFTPBEKIIRK-CQSZACIVSA-N	315.410	2.354	70	20	DEID	
CC[C@@H]1CN(C(=O)c2cc3c([nH]c2=O)CCCCC3)C[C@@H](C)O1	159777033	DHZJIAAAPGRDRG-TZMCWYRMSA-N	318.417	2.283	70	20	DEID	
CCC[C@@H](CNC(=O)c1ccc(S(=O)(=O)F)cc1C)OC	1349709026	WQNXWLSEWMKANW-NSHDSACASA-N	317.382	2.198	70	20	DEID	
CSC[C@](C)(O)CNC(=O)COc1ccccc1C(C)C	217629524	JVCPYQLPOSCUHV-MRXNPFEDSA-N	311.447	2.419	70	20	DEID	
Cc1ncc(C(=O)Nc2cccc(S(=O)(=O)F)c2)s1	460098059	YWOWPPRSIOYMLT-UHFFFAOYSA-N	300.336	2.362	70	20	DEID	
O=C(/C=C/C1CCOCC1)Nc1cccc(S(=O)(=O)F)c1	460092928	NAVZNTOGHXFUHL-SNAWJCMRSA-N	313.350	2.266	70	20	DEID	
CCC[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1338259364	AXNPVTMQJCNZTP-SNVBAGLBSA-N	302.371	2.325	70	20	DEID	
CN1CCN(Cc2cccc(NC(=O)[C@@H]3CC3(C)C)c2)CC1	161040466	UXLQQWPIUPPMPL-INIZCTEOSA-N	301.434	2.419	70	20	DEID	
CC(C)C[C@H](CO)NC(=O)[C@H]1COc2ccc(Cl)cc2C1	161056754	HFJSDUQVIGUPDS-TZMCWYRMSA-N	311.809	2.414	70	20	DEID	
CCc1n[nH]c(-c2ccccc2NC(=O)c2n[nH]c3c2CCC3)n1	161064949	WWDGSMZKTGDDNQ-UHFFFAOYSA-N	322.372	2.498	70	20	DEID	
C[C@]1(c2ccc(F)cc2)NC(=O)N(Cc2nccs2)C1=O	161215742	DKXIGEFRECBZOM-CQSZACIVSA-N	305.334	2.249	70	20	DEID	
CS[C@@H](C)CC(=O)NCCCS(=O)(=O)c1ccccc1	161307883	VUPDPUGYFTUBLZ-LBPRGKRZSA-N	315.460	2.108	70	20	DEID	
CC[C@@H](C)[C@H](C)NC(=O)C(=O)Nc1cc(C(=O)OC)cs1	161387940	AOAQKTGAVJBXKS-BDAKNGLRSA-N	312.391	2.024	70	20	DEID	
C[C@@H]1CCC[C@@H]1NC(=O)N1CCN(Cc2ccccn2)CC1	160079051	MHZXFNJKYWRVQX-ZBFHGGJFSA-N	302.422	2.097	70	20	DEID	
COc1ccc(C(=O)N(C)c2ccc(OC)c(Cl)c2)nn1	160083417	YIMYUJRTHSBTSM-UHFFFAOYSA-N	307.737	2.424	70	20	DEID	
CCC(CC)c1cc(C(=O)NC[C@@H](C)N2CCOCC2)on1	160205494	JJBNRPNYKFNQNO-GFCCVEGCSA-N	309.410	2.029	70	20	DEID	
CC1(C)CN(C(=O)Nc2ccc(O[C@H]3CCOC3)cc2)CCO1	160242733	HMJYOXZCWUVWOM-HNNXBMFYSA-N	320.389	2.497	70	20	DEID	
CC[C@H]1CN(C(=O)Nc2ccn(CC(F)(F)F)n2)CCO1	160357126	MXXUVODLYCJETG-VIFPVBQESA-N	306.288	2.088	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)c1ccccc1OC(F)F	160462183	IHJZJSALJQKMMA-SECBINFHSA-N	301.289	2.360	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)c1cn(-c2ccccc2)nc1C	160522246	KFLNZBRPFRKBIZ-GFCCVEGCSA-N	315.373	2.252	70	20	DEID	
CC[C@H](Oc1ccccc1Cl)C(=O)NCC[C@@H](O)COC	160972263	KXICOFMZBQFEHT-YPMHNXCESA-N	315.797	2.011	70	20	DEID	
CCCCOCCOC(=O)c1ccc(S(=O)(=O)F)cc1	838092513	HGQIYSTUVCVRIO-UHFFFAOYSA-N	304.339	2.318	70	20	DEID	
COCC(C)(C)C(=O)Nc1ccc(C)c(S(=O)(=O)F)c1	857675421	MVPLHXBKDOBTSL-UHFFFAOYSA-N	303.355	2.264	70	20	DEID	
CC[C@H](C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)F)cc1)OC	864244184	NBZKNWHQVPDRKN-GXFFZTMASA-N	317.382	2.136	70	20	DEID	
N#CCCCC(=O)Nc1ccc(F)c(CS(=O)(=O)F)c1	876319084	ONUMZBQGDWFIQA-UHFFFAOYSA-N	302.302	2.257	70	20	DEID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N[C@](C)(C#N)C(C)C	1336590812	HWHDVHDTGNVYCT-CQSZACIVSA-N	312.366	2.321	70	20	DEID	
O=S(=O)(C[C@H]1CCCCO1)Nc1cccc(OCCF)c1	161190769	SUOQVUYDXPLWCS-CQSZACIVSA-N	317.382	2.346	70	20	DEID	
CCN(CCCCS(C)(=O)=O)Cc1ccc2c(c1)OCO2	161321574	JSYSKBXXPVRVHH-UHFFFAOYSA-N	313.419	2.062	70	20	DEID	
CCOc1ccccc1N(C)C(=O)CS(=O)(=O)C(C)(C)C	161334014	YKNBDJULUUGPMR-UHFFFAOYSA-N	313.419	2.261	70	20	DEID	
O=C(N[C@@H]1CCO[C@H](C2CC2)C1)N1CCC(n2ccnc2)CC1	160424214	BYXFGCGRUYRJHL-ZBFHGGJFSA-N	318.421	2.187	70	20	DEID	
CCOC(=O)CCc1ccc(NC(=O)[C@@H]2CC[C@@H](N)C2)cc1	160490992	YVSGHUUSEOPSHQ-ZIAGYGMSSA-N	304.390	2.248	70	20	DEID	
COC(=O)c1csc(NC(=O)N2CC[C@H](N3CC=CC3)C2)c1	160646418	YATAALKQQQJSKD-LBPRGKRZSA-N	321.402	2.013	70	20	DEID	
NC(=O)[C@@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)cc1	159860877	JCBCJEYSRPCJJO-NSHDSACASA-N	300.280	2.185	70	20	DEID	
CN(CCOc1cccc(Cl)c1)C(=O)C[C@H]1COC(=O)C1	159671337	XGMDXUIURCKQSX-LLVKDONJSA-N	311.765	2.130	70	20	DEID	
Cc1nc(N2CCOCC2)ccc1N[C@@H](C)CCn1cccn1	159480834	OZEHPSZDPLQFFM-AWEZNQCLSA-N	315.421	2.314	70	20	DEID	
CCCNC(=O)CN(CC(=O)OC)[C@@H](CC)c1ccccc1	159685372	QTNYZKQIOPVGRT-HNNXBMFYSA-N	306.406	2.139	70	20	DEID	
CSC[C@H](C)C(=O)Nc1cccn(CC(F)(F)F)c1=O	159905778	CFAQMVZWEIACHU-QMMMGPOBSA-N	308.325	2.348	70	20	DEID	
O=C(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1ccon1	159908889	STCLBTYKYPFNDH-GFCCVEGCSA-N	323.711	2.002	70	20	DEID	
CCN(CC)c1ccc(NC(=O)C2(O)CCSCC2)cn1	159724913	POTPJXAPYSZISM-UHFFFAOYSA-N	309.435	2.124	70	20	DEID	
CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21	159937439	JBGCRKMRNKRVBK-HUUCEWRRSA-N	316.401	2.416	70	20	DEID	
CCc1ccc([C@@H](C)CC(=O)N[C@@H]2CCN(C(C)=O)C2)cc1	159551624	UIZRBTMIASGJIJ-SUMWQHHRSA-N	302.418	2.480	70	20	DEID	
Cc1ccc(S(=O)(=O)NC[C@H](O)C2CCCCC2)c(F)c1	159567944	IKWDFTPBEKIIRK-AWEZNQCLSA-N	315.410	2.354	70	20	DEID	
CCc1ccc(/C=C/C(=O)N(CC)[C@H](C)CS(C)(=O)=O)o1	159986878	AHQRSUJPUIFKFK-BZYZDCJZSA-N	313.419	2.137	70	20	DEID	
COc1cc(F)c(C(=O)Nc2ccc(C(N)=O)cc2)cc1OC	161193554	YRLMNWYRFLBLED-UHFFFAOYSA-N	318.304	2.194	70	20	DEID	
CCc1ccc(/C=C/C(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)o1	160004399	PAZRBAGRHVKSIZ-CZHKVUGUSA-N	313.419	2.135	70	20	DEID	
Cc1ccc(C)c(S(=O)(=O)NC[C@@H](O)c2cccc(F)c2)c1	160090190	QCRIRVDAJFWRTM-OAHLLOKOSA-N	323.389	2.454	70	20	DEID	
C[C@@H](CCO)NC(=O)NC1CCN([C@H](C)c2ccccc2)CC1	160203220	RKSNXOQYXHWTIK-LSDHHAIUSA-N	319.449	2.282	70	20	DEID	
CCOCc1cccc(NC(=O)N(C)CCNC(=O)C(C)C)c1	160288877	DDGFKDNCHXTREE-UHFFFAOYSA-N	321.421	2.459	70	20	DEID	
CSC[C@H](C)C(=O)Nc1ccc(CS(C)(=O)=O)c(F)c1	160342400	LBCHXDBLMSHLJH-VIFPVBQESA-N	319.423	2.308	70	20	DEID	
C[C@@]1(O)CCCN(C(=O)Nc2ccc3oc(=O)ccc3c2)C1	160377086	JXBBMYYHIANCGB-MRXNPFEDSA-N	302.330	2.172	70	20	DEID	
CCc1cc(O)nc(CN2CCN(c3ccccc3C)CC2)n1	160544722	LBLBLEDYVWUSMB-UHFFFAOYSA-N	312.417	2.375	70	20	DEID	
CN(C(=O)N[C@@H]1CCO[C@H](C2CC2)C1)C1CCC(CO)CC1	160556204	PKQHSJRDRSOEJZ-UHDQLFAASA-N	310.438	2.137	70	20	DEID	
Cc1ccc(NC(=O)N[C@H](C)C2CCC2)cc1-n1cnnn1	160560889	UTLURYPVTKVVAH-LLVKDONJSA-N	300.366	2.281	70	20	DEID	
CC(=O)Nc1ccc(O)c(C(=O)N[C@H]2[C@H]3Cc4ccccc4[C@@H]32)c1	160618314	QBACLAPWCRXYRL-SZMVWBNQSA-N	322.364	2.419	70	20	DEID	
CC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2C)ccc1O	160863462	BCWBTXLRMGXIJR-UHFFFAOYSA-N	320.370	2.460	70	20	DEID	
O=C(C[C@@H]1CCOc2ccccc21)N1C[C@@H]2CCC[C@H](C1)N2	159416356	GAFFWJXHHZFRLJ-SOUVJXGZSA-N	300.402	2.296	70	20	DEID	
COC(=O)CCNC(=O)[C@H]1C[C@H]1c1ccccc1OC(F)F	159416893	HMLJUHAWBAGVNJ-QWRGUYRKSA-N	313.300	2.071	70	20	DEID	
Cc1nc(COc2ccc(NC(=O)[C@@H]3CCCCN3)cc2)no1	159474156	FIHUFHUHZJXFAA-AWEZNQCLSA-N	316.361	2.038	70	20	DEID	
Cc1nc(C(=O)N(C)C)ccc1C(=O)NCC1(C2CC2)CC1	159882445	XZXKYXZBQGVEMR-UHFFFAOYSA-N	301.390	2.012	70	20	DEID	
CCNc1ncc(C(=O)N[C@H](CCO)c2ccccc2)s1	159503975	SOEJIXIHRALMIG-GFCCVEGCSA-N	305.403	2.428	70	20	DEID	
C[C@@H](NC(=O)N(C)[C@H]1CCCc2c1cnn2C)C1CCOCC1	159703292	BINQLDLGOXJSNI-DOMZBBRYSA-N	320.437	2.254	70	20	DEID	
COCCN1CCN(Cc2noc(C3CCCCC3)n2)C[C@H]1C	159920921	MVZOVURWTLKDGM-CQSZACIVSA-N	322.453	2.270	70	20	DEID	
COC(=O)CCCc1csc(NC(=O)[C@@H]2CCCCO2)n1	159741737	CXNODSXTLMGRCT-NSHDSACASA-N	312.391	2.146	70	20	DEID	
O=C(CCn1ccccc1=O)N[C@@H]1CCCc2sccc21	159994450	KARGMIFEXSQWTA-CYBMUJFWSA-N	302.399	2.494	70	20	DEID	
COCCOCCN(Cc1ccccc1)C(=O)c1ccncc1	160223411	IGPGPSZLHMXTPG-UHFFFAOYSA-N	314.385	2.387	70	20	DEID	
CN(C[C@@H]1CC1(C)C)C(=O)Cc1ccc(S(=O)(=O)F)cc1	1338974850	IABPTDFUZLTIJJ-LBPRGKRZSA-N	313.394	2.392	70	20	DEID	
CCOC1CC2(C1)C[C@@H]2Nc1ccc(S(=O)(=O)F)cn1	1550640195	BKZRSJSWETZQHA-QDYJBQRPSA-N	300.355	2.109	70	20	DEID	
Cc1ccc(F)cc1NC(=O)C(=O)N[C@@H](C)C1CCOCC1	161168401	SCKLXEUSIKOUGC-NSHDSACASA-N	308.353	2.004	70	20	DEID	
COCc1ccc([C@H]2CCCN2C(=O)CCCNC(=O)OC)o1	161264727	NYMCGKMEQJEEEZ-CYBMUJFWSA-N	324.377	2.226	70	20	DEID	
C[C@H]1CC[C@@H](C)N1C(=O)Cn1cc(Br)ccc1=O	161458524	AVZOKSFJNQQCEA-AOOOYVTPSA-N	313.195	2.010	70	20	DEID	
c1cncc(CN2CCN(CCCN3CCCCC3)CC2)c1	161459559	ZHMCSFNABSLVIO-UHFFFAOYSA-N	302.466	2.075	70	20	DEID	
O=C(NCC1(C2CC2)CC1)c1cn(Cc2cccs2)nn1	160010797	CONFFPOVNOXPDD-UHFFFAOYSA-N	302.403	2.308	70	20	DEID	
CCc1noc(C)c1CS[C@@H]1CCN(c2cnn(C)c2)C1=O	160066329	CPFMWDKFHYXGIT-CQSZACIVSA-N	320.418	2.318	70	20	DEID	
Cc1ccc(NC(=O)C(=O)NCCO[C@@H]2CCCC[C@@H]2C)cn1	160097006	BTIRLRULMDOJBT-SWLSCSKDSA-N	319.405	2.040	70	20	DEID	
C[C@H](C(=O)NCCc1ccc(F)cc1)N(C)Cc1cccnc1	160299667	FBUPKJXOISQZQQ-CQSZACIVSA-N	315.392	2.400	70	20	DEID	
CCOc1c(Cl)cc(C(=O)NC[C@@H](C)CO)cc1OC	160491299	MSVPXDROCNTHAB-SECBINFHSA-N	301.770	2.106	70	20	DEID	
CCCC1(CNC(=O)Cn2nnc(-c3ccc(C)cc3)n2)CC1	160661727	NCOHCRIXAAMEPL-UHFFFAOYSA-N	313.405	2.345	70	20	DEID	
O=C(C[C@H]1CCCN1)N[C@H](Cc1ccccc1)C(F)(F)F	160836852	PACCGNOWHUOZJH-CHWSQXEVSA-N	300.324	2.418	70	20	DEID	
COC(=O)[C@@H](C)CS[C@@H]1CCCN(CC(F)(F)F)C1=O	159814171	GCOKFSABQMZVEY-DTWKUNHWSA-N	313.341	2.082	70	20	DEID	
CC(C)OCCN[C@@H]1CCS(=O)(=O)c2ccc(F)cc21	160038860	FALIGUBYMDECTR-CYBMUJFWSA-N	301.383	2.059	70	20	DEID	
O=S(=O)(NCCOc1ccccc1Cl)c1cccnc1	160065148	UHONJZLNWJCOBM-UHFFFAOYSA-N	312.778	2.092	70	20	DEID	
O=C(NCCCC(F)(F)F)c1ccc(S(=O)(=O)F)cc1	865210873	SDYBRZLZEPBVHT-UHFFFAOYSA-N	313.272	2.417	70	20	DEID	
CO[C@H]1CCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)F)cc1	1349519426	TYVHVPJCWQTUSJ-NEPJUHHUSA-N	301.339	2.098	70	20	DEID	
C=CC[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1528547962	BHAFZOUTHJCRHI-JTQLQIEISA-N	300.355	2.101	70	20	DEID	
CCc1ncc(NC(=O)NC2CCN(CC(C)C)CC2)cn1	161179989	QRZIKUNFDXGUHO-UHFFFAOYSA-N	305.426	2.281	70	20	DEID	
CCCn1c(C)nnc1COc1ccc(Cl)cc1C(N)=O	161233473	PHNMDHWZKZQEBJ-UHFFFAOYSA-N	308.769	2.328	70	20	DEID	
Cc1cccc([C@H](NC(=O)[C@@H]2CCNC(=O)C2)c2ccccn2)c1	160115910	HNKAWTCPIYTHII-QAPCUYQASA-N	323.396	2.122	70	20	DEID	
CCCCc1nnc(NC(=O)CCCNC(=O)OCC)s1	160349293	QCBYGRFSZYTLAK-UHFFFAOYSA-N	314.411	2.346	70	20	DEID	
C[C@H]1CN(C[C@@H]2CCCN2c2ncc(Cl)cn2)C[C@@H](C)O1	160466599	YFYCWGYXDCWMMF-SCRDCRAPSA-N	310.829	2.208	70	20	DEID	
CCCCN(CC)c1ccc(C(=O)N2CC[C@H](C(N)=O)C2)cc1	160483947	WZZFHTZZZYOEAL-HNNXBMFYSA-N	317.433	2.260	70	20	DEID	
Cc1ccc(NC(=O)N[C@@H](C)C2CCC2)cc1-n1cnnn1	160560754	UTLURYPVTKVVAH-NSHDSACASA-N	300.366	2.281	70	20	DEID	
CC(C)CC(=O)NCCC(=O)NC[C@@H](C)N(C)c1ccccc1	160562940	YMRBRYINXGIRFL-OAHLLOKOSA-N	319.449	2.180	70	20	DEID	
CCC(CC)(CC)NC(=O)N[C@H]1CCc2nc(COC)nn2C1	160735201	TYVOJGUCDSTFDH-LBPRGKRZSA-N	323.441	2.007	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)c1cnc(OCC)c(Cl)c1	160878903	VRWZIVJVAIBWRA-VIFPVBQESA-N	314.769	2.205	70	20	DEID	
COc1ccc(C(=O)CCC(=O)N[C@H]2CCC[C@H](N)C2)cc1	160885765	FHTFQZYSENXADD-KBPBESRZSA-N	304.390	2.044	70	20	DEID	
Cc1nnc(-c2cccc(C(=O)Nc3c[nH]c(=O)c(C)c3)c2)o1	159479418	IKYCSJKLCOJGAX-UHFFFAOYSA-N	310.313	2.294	70	20	DEID	
CSC1(CNC(=O)c2cccc3[nH]cnc23)CCOCC1	159699903	JQINDFLOSBTXRA-UHFFFAOYSA-N	305.403	2.205	70	20	DEID	
Cc1ccc(Cl)cc1S(=O)(=O)N(C)[C@H](CN)C1CC1	159950221	GOYAWUMGYSWZRI-GFCCVEGCSA-N	302.827	2.006	70	20	DEID	
C[C@H]1C[C@H](C(=O)Nc2ccc(S(=O)(=O)F)cc2)CCC1=O	460097129	VVXFXJXTHUZBRP-VHSXEESVSA-N	313.350	2.289	70	20	DEID	
N#CCC1(CNC(=O)CCc2ccc(S(=O)(=O)F)cc2)CC1	1121115184	MZHGADVNSHDMJX-UHFFFAOYSA-N	324.377	2.087	70	20	DEID	
CS[C@@H]1CCC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1338400804	RGMZSGOHYSDBQC-DTWKUNHWSA-N	320.411	2.077	70	20	DEID	
C#CCN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CCCCC1	1337520030	NRPNHCMKXUZRPJ-UHFFFAOYSA-N	312.366	2.081	70	20	DEID	
CNC(=O)C(C)(C)CNc1nc(-c2ccncc2)nc(C)c1C	161111300	OUGJHZHMISVJFB-UHFFFAOYSA-N	313.405	2.340	70	20	DEID	
CCC[C@@H](CCO)CNC(=O)[C@]1(C)Cc2ccccc2C(=O)O1	161161256	TVCFXGIYEHFSNO-UGSOOPFHSA-N	319.401	2.073	70	20	DEID	
CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)CC(=O)N(C)C	161229195	RDOIZUBELHETQV-UHFFFAOYSA-N	318.396	2.168	70	20	DEID	
CC1=C(C(=O)Nc2ccc(NS(C)(=O)=O)cc2)CCCO1	161342799	OTSBWRUCAIDNDR-UHFFFAOYSA-N	310.375	2.081	70	20	DEID	
CCCCn1ncc(NS(=O)(=O)c2cnn(CC)c2)c1C	160195790	FSIHYIPPQBLORD-UHFFFAOYSA-N	311.411	2.009	70	20	DEID	
NC(=O)[C@H]1CCCN1Cc1ccc(-n2cnc3ccccc32)cc1	160341290	AILHCCRQGXTKFU-GOSISDBHSA-N	320.396	2.475	70	20	DEID	
COc1ccc(C[C@@H](C)CNC(=O)NC[C@H]2CCOC2)cc1	160563437	GYDXGBUIGDRLAL-UKRRQHHQSA-N	306.406	2.210	70	20	DEID	
COCCC1(CNC(=O)Nc2ccn(CC(F)(F)F)n2)CC1	160659149	PIPYRYYOCVUKGY-UHFFFAOYSA-N	320.315	2.384	70	20	DEID	
C[C@@]1(C(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)CCNC1	160832644	NBBOPQNUWMRWEH-GXTWGEPZSA-N	300.324	2.276	70	20	DEID	
COc1ccc(S(C)(=O)=O)cc1C(=O)N1[C@H](C)CC[C@H]1C	160842983	KOADQYZJRSXXHR-GHMZBOCLSA-N	311.403	2.112	70	20	DEID	
CC[C@@H](O)CCNC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1	160984404	IKEQSJAJASGLPC-XHSDSOJGSA-N	306.406	2.367	70	20	DEID	
CSC[C@@](C)(O)CNC(=O)NC[C@@H]1CCc2ccccc21	159600913	KFFNQEQUNAYHNO-BBRMVZONSA-N	308.447	2.130	70	20	DEID	
COC(=O)c1ccc(NC(=O)[C@@H]2[C@@H](N)[C@H]3CC[C@@H]2C3)cc1Cl	159463732	AVCIEOVBQJDEMZ-GHSKTYPESA-N	322.792	2.439	70	20	DEID	
CC[C@@H](NC(=O)NC[C@@H]1CCCS1(=O)=O)c1ccc(C)cc1	159673620	UUORNHIFUBVEAC-LSDHHAIUSA-N	324.446	2.323	70	20	DEID	
O=C(NCC1(CO)CCOCC1)Nc1cccc2c1CCCC2	159729930	RMSPPUBHTZLNCR-UHFFFAOYSA-N	318.417	2.476	70	20	DEID	
Cc1cc(NC(=O)C[C@@H](C)NC(=O)C2CCCCC2)c[nH]c1=O	159552592	ARTBTAYMXGTNCG-GFCCVEGCSA-N	319.405	2.097	70	20	DEID	
O=C([C@H]1C[C@H]1c1ccc(Br)cc1)N1CCOCC1	217806116	PVYODCWWKWZHDP-STQMWFEESA-N	310.191	2.411	70	20	DEID	
O=C(NCCn1ccc(C(F)(F)F)n1)NCc1ccccc1	217274878	APLUKBXIZJILMO-UHFFFAOYSA-N	312.295	2.401	70	20	DEID	
COC(=O)c1ccc(S(=O)(=O)Cl)cc1Br	584647921	RJQUHFUYISCPHU-UHFFFAOYSA-N	313.556	2.163	70	20	DEID	
CC[C@H]1CC[C@H](C(=O)Nc2ccc(S(=O)(=O)F)c(F)c2)O1	857674981	WYAOFTPABZXVHV-GXSJLCMTSA-N	319.329	2.380	70	20	DEID	
CCC[C@@H](OC)C(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	857672470	BGVHACQZARTXMW-SNVBAGLBSA-N	307.318	2.238	70	20	DEID	
O=C(Nc1ccc(F)c(CS(=O)(=O)F)c1)[C@H]1CCCS1	876318597	GQZLCXLHQVUKDD-LLVKDONJSA-N	321.370	2.459	70	20	DEID	
CN(CC1=CCSC1)C(=O)c1ccc(S(=O)(=O)F)cc1	893047906	APLQJVCUVFPAPI-UHFFFAOYSA-N	315.391	2.090	70	20	DEID	
CCNCC1CCN(C(=O)c2ccc(F)c(NC(C)=O)c2)CC1	161048022	ILPPNHNHEPKMHK-UHFFFAOYSA-N	321.396	2.246	70	20	DEID	
CCCC(O)(CCC)CC(=O)N1CCC[C@@H](CCC(N)=O)C1	161190903	CBKGXWALPGIQKH-AWEZNQCLSA-N	312.454	2.212	70	20	DEID	
CC(C)(C)C(=O)N1CCC(CN2CCOC[C@@H]2C2CC2)CC1	161273020	LXEAXXYCNQSLNV-MRXNPFEDSA-N	308.466	2.382	70	20	DEID	
CCCn1c(C)nnc1COc1ccc(C(=O)NCC)cc1	161374659	DSPKBKIDUINTGY-UHFFFAOYSA-N	302.378	2.325	70	20	DEID	
O=C(NC[C@H]1CCCS1(=O)=O)N1CCC[C@H]1c1ccccc1	160030884	FRDOLGPDKONUBP-CABCVRRESA-N	322.430	2.110	70	20	DEID	
CN(CCCOCCc1ccccc1)[C@H]1CCCCNC1=O	160299820	IMEXIHLXJIKAAJ-KRWDZBQOSA-N	304.434	2.236	70	20	DEID	
CCCc1cc(N(C)CCC2CCOCC2)n2ncnc2n1	160540346	SZVKVJJPZLQJMN-UHFFFAOYSA-N	303.410	2.330	70	20	DEID	
CC(C)c1cc(=O)n(CC(=O)N(C2CCCC2)C2CC2)cn1	160673867	HXKJYUZOSOOHFL-UHFFFAOYSA-N	303.406	2.300	70	20	DEID	
C[C@H]1CCN(C(=O)Nc2cccnc2-n2cncn2)C[C@@H]1C	160730552	WTBCKTMVRRYKOG-RYUDHWBXSA-N	300.366	2.172	70	20	DEID	
CC(C)c1ncc(CN2CCN(C(=O)[C@@H]3CCCO3)CC2)s1	160967108	ZPBDNYVUVBIGQT-AWEZNQCLSA-N	323.462	2.090	70	20	DEID	
COc1ccc(N(C)C(=O)Cc2c(C)nn(C)c2C)cc1F	159810646	QHAXBLXXQKMGTG-UHFFFAOYSA-N	305.353	2.390	70	20	DEID	
O=S(=O)(NCC1(O)CCCCC1)c1cc2ccccc2o1	159814144	CBOCMNXSAGHJQZ-UHFFFAOYSA-N	309.387	2.406	70	20	DEID	
CCOCC1(C(=O)Nc2ccc(S(=O)(=O)F)cc2)CC1	281783708	JKJXKOPLVDRHCP-UHFFFAOYSA-N	301.339	2.100	70	20	DEID	
O=S(=O)(F)c1ccc(N[C@@H](C2CCC2)[C@H]2CCCO2)nc1	1550637719	RIAOFRVIQDOKQC-OCCSQVGLSA-N	314.382	2.499	70	20	DEID	
CC[C@H](C)N(C)CCN[C@@H](C)c1cccc(-n2cnnn2)c1	160059399	JAXFMECMVWSURO-KBPBESRZSA-N	302.426	2.043	70	20	DEID	
COCCOCCC(=O)N(C)c1ccc(OC)c(Cl)c1	160136481	GBDFXOOJLSMHRD-UHFFFAOYSA-N	301.770	2.365	70	20	DEID	
O=C(CCC(=O)N[C@@H]1CCOC2(CCCC2)C1)NC1CCCC1	160147300	AYVPAIIPMZATQN-OAHLLOKOSA-N	322.449	2.433	70	20	DEID	
O=C(NCC1(CO)CCCC1)c1ccc(C(F)(F)F)nc1	160288230	VCEUPXQZMOBNHW-UHFFFAOYSA-N	302.296	2.383	70	20	DEID	
COC(=O)c1ccc(NC(=O)c2cnc3c(c2)ncn3C)cc1C	160376951	NUOFFLCFANDELG-UHFFFAOYSA-N	324.340	2.316	70	20	DEID	
O=C1CCCC[C@@H]1[C@@H]1COCCN1C(=O)c1ccccc1F	160607461	NDQGVHRVMFPQOM-HIFRSBDPSA-N	305.349	2.426	70	20	DEID	
COc1ccc(NS(=O)(=O)c2ccccc2OC)c(C)n1	160683388	CAVCDGVEXPHLDK-UHFFFAOYSA-N	308.359	2.208	70	20	DEID	
C[C@H](C(=O)N[C@@H]1CCCC[C@@H]1C(N)=O)c1c(F)cccc1F	160736733	CVCODHSFVOVDSC-OUJBWJOFSA-N	310.344	2.229	70	20	DEID	
CC[C@H](O)CCNC(=O)N[C@H](C)c1cccc(NC(C)=O)c1	160936687	APEPERZPVZTBGL-ABAIWWIYSA-N	307.394	2.166	70	20	DEID	
O=C(CNCC1CC1)Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1	159422637	ZEMOEHVLNKCMQO-SJORKVTESA-N	318.417	2.307	70	20	DEID	
CCC(C)(CC)C(=O)N1CCC(n2cc(C(=O)OC)nn2)CC1	159483929	ZJXAKHBMSARJGF-UHFFFAOYSA-N	322.409	2.055	70	20	DEID	
CCC[C@H](CCO)CNC(=O)[C@H]1CC(c2cccc(F)c2)=NO1	159362969	WIIURMBPKMMZAW-MLGOLLRUSA-N	322.380	2.234	70	20	DEID	
COCC1CCN(C(=O)c2cc3c([nH]c2=O)CCCCC3)CC1	159954572	HXMPVDYFWYIUDZ-UHFFFAOYSA-N	318.417	2.142	70	20	DEID	
O=C(NCCOC1CCCC1)Nc1ccnn1C[C@H]1CCOC1	159399253	LZVMNAZJCKRAES-CYBMUJFWSA-N	322.409	2.000	70	20	DEID	
NC[C@@H]1CCCN1C(=O)CSc1nc2ccccc2s1	160271684	ABSASKTZUMVVNN-JTQLQIEISA-N	307.444	2.338	70	20	DEID	
O=C(NCc1ccc(F)cc1)c1ccc(S(=O)(=O)F)cc1	864238069	CENACQYQQVFEEN-UHFFFAOYSA-N	311.309	2.414	70	20	DEID	
O=C(NC[C@@H]1CCCSC1)c1cccc(S(=O)(=O)F)c1	1517974157	CYUYJCSUFQLLHZ-JTQLQIEISA-N	317.407	2.218	70	20	DEID	
CC(C)(C)NC(=O)CNC(=O)CNc1ccccc1C(C)(C)C	161149441	FIQPNMQLRNLSDV-UHFFFAOYSA-N	319.449	2.427	70	20	DEID	
CCOc1ccc2c(c1)C[C@H](C(=O)N[C@@H](CO)CC(C)C)CO2	161195824	FELVSKARRVSCPQ-LSDHHAIUSA-N	321.417	2.160	70	20	DEID	
O=C(Nc1nnc(Cc2cccc(Cl)c2)s1)[C@@H]1CCNC1	161394507	NIRXIIXPZVCLCQ-SNVBAGLBSA-N	322.821	2.330	70	20	DEID	
CNC(=O)COc1ccc(NC(=O)N2CC[C@H](C)[C@H](C)C2)cc1	161444606	YCVBCMRJOPZCND-QWHCGFSZSA-N	319.405	2.321	70	20	DEID	
Cc1ccc(C(=O)CCN2CC(=O)N[C@H]3CCCC[C@@H]32)cc1	160158481	QIDXFOABLYWUHQ-HOTGVXAUSA-N	300.402	2.311	70	20	DEID	
CC[C@@H](COC)NS(=O)(=O)c1ccc(C)c2ncccc12	160329137	OTBCQXCWFBJHBP-LBPRGKRZSA-N	308.403	2.247	70	20	DEID	
Cc1nc(NC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)sc1C	160385145	QGMVCCITFXNOCN-JRPNMDOOSA-N	309.435	2.231	70	20	DEID	
C[C@@H](CC(=O)NC[C@@H](O)CN1CCCCC1)c1ccc(F)cc1	160446984	KHCPHNZCSNHSRI-WMLDXEAASA-N	322.424	2.282	70	20	DEID	
Cc1cc(F)c(C(=O)N[C@H](C(N)=O)c2ccccc2)cc1F	160493421	IATWPYOCAFGFJP-AWEZNQCLSA-N	304.296	2.230	70	20	DEID	
CC(C)[C@H](CCO)NC(=O)C[C@H]1Sc2ccccc2NC1=O	160587721	BZIHQWHGIKTPLV-SMDDNHRTSA-N	322.430	2.013	70	20	DEID	
COC(CN1CCO[C@@H](c2ccc(F)c(Cl)c2)C1)OC	160859262	UEPHQXWXIQYELF-CYBMUJFWSA-N	303.761	2.471	70	20	DEID	
CC(C)c1cc(=O)n(Cc2nc(Cc3ccccc3)no2)cn1	160784308	KCRZZJCHHXDZND-UHFFFAOYSA-N	310.357	2.389	70	20	DEID	
O=C(CSc1nnnn1C1CCCC1)Nc1cccc(F)n1	160818498	DGODZVFCHBAPTC-UHFFFAOYSA-N	322.369	2.053	70	20	DEID	
CCCOc1cccc(CC(=O)NCCCn2cccn2)c1	160867360	IAXZRGUUDXOFRR-UHFFFAOYSA-N	301.390	2.421	70	20	DEID	
CC(C)C[C@H](CO)NC(=O)NC[C@H]1CCCCN1CC(C)C	160962403	MYKDFFFIJKBRBE-HZPDHXFCSA-N	313.486	2.203	70	20	DEID	
Cc1nccc(NC(=O)N2CCOC[C@@H]2C[C@H](C)O)c1Cl	159424723	IEIOWIKTCYWODX-ONGXEEELSA-N	313.785	2.047	70	20	DEID	
CC[C@H]1CCN(C(=O)N[C@@H]2CCN(C3CCCCC3)C2=O)C1	159438534	NZFOVTGPBXCCSB-DZGCQCFKSA-N	307.438	2.362	70	20	DEID	
CC(=O)N1CC[C@@H](NC(=O)[C@H](C)Oc2cc(C)ccc2Cl)C1	159510002	IZXDGQCKSVBDEE-WCQYABFASA-N	324.808	2.153	70	20	DEID	
CC[C@@H](C)CS(=O)(=O)Oc1cc(C(=O)N(C)C)ccc1C	159939993	RJNYHCSWWVTLLR-LLVKDONJSA-N	313.419	2.452	70	20	DEID	
CCOc1cc(Cl)ccc1CNS(=O)(=O)[C@H](C)COC	159989857	UWZNNBHUWDBNSK-SNVBAGLBSA-N	321.826	2.193	70	20	DEID	
CO[C@H](CC(C)C)C(=O)Nc1ccc(S(=O)(=O)F)cc1	460089994	GKKNSEUWVNUSHM-GFCCVEGCSA-N	303.355	2.344	70	20	DEID	
C[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1)C1CCOCC1	161082372	KEOPEFKBHDIGAS-JTQLQIEISA-N	310.781	2.210	70	20	DEID	
CCO[C@@H](CCN(C)C)CNC(=O)C[C@@H](C)c1ccncc1	161098073	RSMYNRPMRNPZPC-ZBFHGGJFSA-N	307.438	2.048	70	20	DEID	
CNC(=O)c1ccc(OC)c(NC(=O)N[C@@H](C)C2CCC2)c1	161110813	JBANFYSUFZTVCU-JTQLQIEISA-N	305.378	2.365	70	20	DEID	
CC(C)(O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)c(F)c1F	161143228	HQCZPUINIVYZSQ-SNVBAGLBSA-N	323.336	2.028	70	20	DEID	
O=C(CCc1nc2ccccc2s1)NCCSCCCO	161442087	MHUMSEMRXAFUTA-UHFFFAOYSA-N	324.471	2.461	70	20	DEID	
COc1cc(/C=C/C(=O)N2CC[C@@H](N)C2)ccc1OC(C)C	160295031	VJYBYGVDTCWVPN-HZRUHFOJSA-N	304.390	2.055	70	20	DEID	
CN(C)c1ccc(-c2cncc(C(=O)N3CCC[C@H]3CN)c2)cc1	160400024	MQNFWDMMAWKNKE-SFHVURJKSA-N	324.428	2.378	70	20	DEID	
CC(C)OC(=O)CCCNC(=O)NCc1cccc(N(C)C)c1	159601534	FJMFEOGJXYBONQ-UHFFFAOYSA-N	321.421	2.284	70	20	DEID	
COCCOc1ccc(NC(=O)[C@H]2CCC(=O)C[C@H]2C)cn1	159911102	LDSWXDOARGDMMT-RISCZKNCSA-N	306.362	2.051	70	20	DEID	
CC(C)(N)CNC(=O)Cc1csc(-c2cccc(F)c2)n1	159930576	CYSUNQAIYDQJFU-UHFFFAOYSA-N	307.394	2.345	70	20	DEID	
C[C@H](O)CN(C)[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O	159566519	HGTMOJCWULWQLJ-GXFFZTMASA-N	316.323	2.123	70	20	DEID	
CCOc1ncccc1CNC(=O)N1CCOC2(CCCC2)C1	159569724	ADXCMIZSSIERFF-UHFFFAOYSA-N	319.405	2.335	70	20	DEID	
C[C@@H](Nc1nnc(C(F)(F)F)s1)C(=O)N1CCCCC1	160159897	ITJLBFVBWOIMDB-SSDOTTSWSA-N	308.329	2.370	70	20	DEID	
CO[C@@H](CNC(=O)C(=O)NC1CCCC1)c1ccccc1Cl	218343544	VMMZKNIZMWOHBY-AWEZNQCLSA-N	324.808	2.203	70	20	DEID	
C=CCCN(C)c1ccc([N+](=O)[O-])cc1CS(=O)(=O)F	882240007	QHYOPLAMVJIGSD-UHFFFAOYSA-N	302.327	2.406	70	20	DEID	
COC(=O)c1csc(NC(=O)NCCCc2cnn(C)c2)c1	161004458	XRYWLQKKJKHCSG-UHFFFAOYSA-N	322.390	2.023	70	20	DEID	
CC[C@@](C)(CCO)NC(=O)Nc1ccc(-c2ncn(C)n2)cc1	161092338	MLEFVRVPDYUZFF-INIZCTEOSA-N	317.393	2.155	70	20	DEID	
COC1(C(=O)N[C@H](C)Cc2cc(C)cc(C)c2)CCNCC1	161350346	GUIGNIGWYUADCF-OAHLLOKOSA-N	304.434	2.119	70	20	DEID	
CNC(=O)COc1ccc(NC(=O)N2CC[C@@H](C)[C@@H](C)C2)cc1	161444255	YCVBCMRJOPZCND-OLZOCXBDSA-N	319.405	2.321	70	20	DEID	
C[C@H]1CCCC[C@H]1N(C)C(=O)CSCCN1CCOCC1	160024218	QQUUMCXMQQAEFE-LSDHHAIUSA-N	314.495	2.089	70	20	DEID	
NC[C@@H]1CCCN1C(=O)c1csc(Cc2ccc(F)cc2)n1	160257756	SHUHDFVJJLQRDV-ZDUSSCGKSA-N	319.405	2.436	70	20	DEID	
CCc1ncsc1C(=O)NC1CN(C(=O)OC(C)(C)C)C1	160284115	CTOOEHZBKOXXBJ-UHFFFAOYSA-N	311.407	2.055	70	20	DEID	
Cc1ccc(NC(=O)C(=O)Nc2cnn(CC(C)C)c2)c(C)n1	160366467	GLZHHUJPSAAVIF-UHFFFAOYSA-N	315.377	2.128	70	20	DEID	
CC(=O)N1CCC[C@H](C(=O)NCCCSCC(C)C)C1	160705214	ZGYSVVOMOLEZQU-AWEZNQCLSA-N	300.468	2.140	70	20	DEID	
C[C@H](CC(=O)NCc1nc(-c2ccncc2)no1)c1ccncc1	160816299	XCEFCZSZWITNSM-GFCCVEGCSA-N	323.356	2.337	70	20	DEID	
COC[C@H](NC(=O)Nc1ccc(C)c(C(=O)N(C)C)c1)C1CC1	160848881	VDWFIBCBINLNFA-HNNXBMFYSA-N	319.405	2.243	70	20	DEID	
CC(=O)Nc1ccc(CCNC(=O)c2cccc3[nH]cnc23)cc1	159407273	OYARDRRBMSMJBD-UHFFFAOYSA-N	322.368	2.494	70	20	DEID	
C[C@H]1CC[C@H](NC(=O)NCCC(=O)N(C)C)c2ccccc21	159647030	UUVHUAAEWROMHY-WFASDCNBSA-N	303.406	2.403	70	20	DEID	
COCCOc1ccccc1NC(=O)N[C@@H](COC)C1CC1	159553646	MFPLXTIPLSSQNV-AWEZNQCLSA-N	308.378	2.258	70	20	DEID	
CCN1CCCN(C(=O)NCC2(CCOC)CCCC2)CC1	159988404	RYBLPYSCPNTBTQ-UHFFFAOYSA-N	311.470	2.321	70	20	DEID	
CCn1cnnc1CNCc1cc(Cl)c2c(c1)OCCO2	218222515	LMRPEYHSJIJKMG-UHFFFAOYSA-N	308.769	2.012	70	20	DEID	
C[C@@H]1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)F)cc2)CCC1=O	460097131	VVXFXJXTHUZBRP-ZJUUUORDSA-N	313.350	2.289	70	20	DEID	
CCOC(=O)[C@]1(CCS(=O)(=O)F)CCCCCCC1=O	883954389	LGYZOAJEBSTYEC-ZDUSSCGKSA-N	308.371	2.149	70	20	DEID	
COC(C)(C)CCNC(=O)c1ccc(S(=O)(=O)F)cc1C	1262803760	QKSZRMAKAKFZKG-UHFFFAOYSA-N	317.382	2.198	70	20	DEID	
C[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC(C)(C)C1	1527978014	XPQHAKXIUIHIIR-SECBINFHSA-N	302.371	2.181	70	20	DEID	
C[C@@H]1Cc2ccccc2CN1C(=O)c1cc(S(=O)(=O)F)c[nH]1	1527565101	FZXPCMHBWYEGFL-SNVBAGLBSA-N	322.361	2.260	70	20	DEID	
Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)[C@@H]2CSCN2)cc1	161099043	RKWPCVMKYQXHMS-PMPSAXMXSA-N	320.458	2.241	70	20	DEID	
O=C(NCc1cc(-c2ccccc2)on1)[C@@H]1CCn2ccnc2C1	161130250	ARQVPAIVURCSQJ-CQSZACIVSA-N	322.368	2.417	70	20	DEID	
CC(C)CN(CCN(C)C)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2	161158681	CXAVLHXFAMVUGF-OAGGEKHMSA-N	323.481	2.173	70	20	DEID	
COc1ccccc1N1CC[C@@H](NC(=O)/C=C(/C)C2CC2)C1=O	161243339	BJBICUXMJHTRDD-XMXAVACDSA-N	314.385	2.273	70	20	DEID	
CCOC(=O)C1(C(=O)Nc2cnc(C(C)(C)C)nc2)CCC1	161307565	YQMAVQHKODHIHH-UHFFFAOYSA-N	305.378	2.446	70	20	DEID	
COC(=O)[C@@H](C)NC(=O)c1csc(Cc2ccc(C)cc2)n1	160122915	IEIFTQZVQVYAAR-LLVKDONJSA-N	318.398	2.334	70	20	DEID	
COCC(C)(C)NC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1	160199520	ZNGFEQAAIKDJJQ-HOCLYGCPSA-N	319.449	2.374	70	20	DEID	
Cc1nc2c(s1)[C@H](NCCN1CCC(N(C)C)CC1)CCC2	160251322	LLDVUOLXIUGONY-OAHLLOKOSA-N	322.522	2.445	70	20	DEID	
COc1ccc(SCC(=O)NCC2(CO)CCCC2)cc1	160276630	AQXYBIGPOTVSRA-UHFFFAOYSA-N	309.431	2.456	70	20	DEID	
CSC[C@@H](CCO)N[C@H](C)c1ccc(-n2cncn2)cc1	160409037	NGRNAZIDIXHDJV-TZMCWYRMSA-N	306.435	2.032	70	20	DEID	
O=C(N[C@H]1CCO[C@@H](C2CC2)C1)N1CCC(n2ccnc2)CC1	160424590	BYXFGCGRUYRJHL-GOEBONIOSA-N	318.421	2.187	70	20	DEID	
CC[C@@H](C)[C@@H](O)CNC(=O)c1c(-c2ccccn2)noc1C	160447880	UXTWVSHDUFHDPD-MFKMUULPSA-N	303.362	2.182	70	20	DEID	
CCc1nn(C)c(Cl)c1C(=O)NCCN1CCC(C)CC1	160462096	ZJYHBYRZOPYBLT-UHFFFAOYSA-N	312.845	2.098	70	20	DEID	
CC(C)NC(=O)CN[C@H](C)c1ccc(NC(=O)NC2CC2)cc1	160918889	LDYDCODRFSGGKX-GFCCVEGCSA-N	318.421	2.146	70	20	DEID	
COc1cc(CNC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)ccc1O	159539859	IIMLIDGDCQNADP-HIFRSBDPSA-N	320.389	2.158	70	20	DEID	
C[C@@H]1C[C@@H](C)CN(C[C@@H](C)NC(=O)NCc2ncccc2F)C1	159758492	HVVDTWMNDROABW-MGPQQGTHSA-N	322.428	2.386	70	20	DEID	
O=C(C[C@@H]1CCCCO1)Nc1ccc(S(=O)(=O)F)c(F)c1	857674606	MTFKUIDMOZZDLR-JTQLQIEISA-N	319.329	2.382	70	20	DEID	
CS[C@H]1CCC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1338400805	RGMZSGOHYSDBQC-IUCAKERBSA-N	320.411	2.077	70	20	DEID	
COCCC1(CNC(=O)N2CC[C@@H](C)[C@H](n3ccnc3)C2)CC1	161021456	JYDBLSMEDNGKHM-HUUCEWRRSA-N	320.437	2.292	70	20	DEID	
Cc1noc(NC(=O)c2ccc(CN(C)C(=O)C(C)C)cc2)n1	161251918	GBHBMSXKTRFGRA-UHFFFAOYSA-N	316.361	2.245	70	20	DEID	
CN(CCCc1nc(-c2cccs2)no1)[C@@H](CN)C1CC1	160061376	FKWIVIWYIAGBOJ-LBPRGKRZSA-N	306.435	2.400	70	20	DEID	
O=C(NCCCOCC1CCOCC1)NC1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12	160119541	KUYDCNCHUGYGBZ-CAOSSQGBSA-N	322.449	2.163	70	20	DEID	
CN(CC(C)(C)CN1CCOCC1)C(=O)[C@@H]1C[C@H]1c1ccco1	160337261	WEJOIRMCTVCTLT-HUUCEWRRSA-N	320.433	2.200	70	20	DEID	
COCCN(CCC(=O)OC)C(=O)c1cccc(C)c1Cl	160407186	VYFHSQHWUQPLRJ-UHFFFAOYSA-N	313.781	2.300	70	20	DEID	
O=S(=O)(CCCF)N(Cc1cccc(O)c1)CC1CC1	160489968	WEGJTBVLVQQUGY-UHFFFAOYSA-N	301.383	2.294	70	20	DEID	
COc1cc(C)ccc1OCC(=O)Nc1c[nH]c(=O)c(C)c1	159409624	PWFYEPLPNBOXTP-UHFFFAOYSA-N	302.330	2.018	70	20	DEID	
O=C(NCCc1cscn1)N1CCN(C2CCCCC2)CC1	159506967	YDBXXNCDKMDILL-UHFFFAOYSA-N	322.478	2.346	70	20	DEID	
COc1ccccc1NC(=O)[C@@H](C)SCCN1CCOCC1	159926443	ZCXYNDNBRORVCQ-CYBMUJFWSA-N	324.446	2.088	70	20	DEID	
C[C@@H]1CC(=O)CC[C@@H]1C(=O)NCc1ccc(N2CCCC2)nc1	159753847	LXQMKFRYYSZYJR-CJNGLKHVSA-N	315.417	2.303	70	20	DEID	
Cc1cc(S(=O)(=O)N(C)[C@H]2CCSC2)c(F)cc1F	159383975	UELHVXXEJAHUEF-VIFPVBQESA-N	307.387	2.399	70	20	DEID	
CC(C)CC(=O)NCCC(=O)N(Cc1cccnc1)C1CC1	159772322	MWBHIBUJVXEJIV-UHFFFAOYSA-N	303.406	2.125	70	20	DEID	
CO[C@@H](CNC(=O)c1ccc(S(=O)(=O)F)cc1)CC(C)C	864244324	RZAQIRJUHCUJAN-GFCCVEGCSA-N	317.382	2.136	70	20	DEID	
Cc1cc(C[C@@H](C)NC(=O)c2cc3c(C)nn(C)c3s2)n[nH]1	161494481	WVDPRABGWOFMAV-MRVPVSSYSA-N	317.418	2.336	70	20	DEID	
NCCCNC(=O)CCSc1ccccc1Br	160052663	SIUZSFYWEBFOKU-UHFFFAOYSA-N	317.252	2.396	70	20	DEID	
Cc1nn(C)c(C)c1C(=O)C(=O)N[C@H]1CCCc2sccc21	160131504	BSGJESSOOPHEIO-LBPRGKRZSA-N	317.414	2.475	70	20	DEID	
CCN(CC)CCC[C@@H](C)NC(=O)[C@@H]1CCn2ccnc2C1	160225481	MXVHKLSKNFDVLP-HUUCEWRRSA-N	306.454	2.072	70	20	DEID	
Cc1nc(C2(NC(=O)/C=C/c3cnn(C)c3C)CCCC2)no1	160277762	IVGSNTQNOYGSDM-VOTSOKGWSA-N	315.377	2.019	70	20	DEID	
Cn1cnnc1CSc1nnc(C2CC2)n1Cc1ccco1	160972330	KPGMRIPQHCKDCH-UHFFFAOYSA-N	316.390	2.218	70	20	DEID	
Cc1c(CNC(=O)c2cnn(C(C)C)c2C2CC2)cnn1C	159408458	ZQDQJTAAPBUFOJ-UHFFFAOYSA-N	301.394	2.313	70	20	DEID	
CCCCn1ncc(NC(=O)N[C@@H](C)C(=O)N[C@@H](C)CC)c1C	159813630	GCNRATLPBBIGED-RYUDHWBXSA-N	323.441	2.416	70	20	DEID	
CC(=O)N1CC[C@H](NC(=O)Cc2c[nH]c3ccc(Cl)cc23)C1	159433318	PLFOFFPZPQJWFK-ZDUSSCGKSA-N	319.792	2.101	70	20	DEID	
CC(C)(C)c1nsc(N[C@H]2CCN(CC(F)(F)F)C2=O)n1	159439085	ZFSVJEPMJCTKFY-ZETCQYMHSA-N	322.356	2.411	70	20	DEID	
CC[C@@H]1CCC[C@@H]1NC(=O)Cn1nnc(-c2ccc(C)cc2)n1	159638212	WDWIFGZCRDYXRO-HIFRSBDPSA-N	313.405	2.343	70	20	DEID	
CC[C@]1(C)C[C@H]1C(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1	159843964	QEOIOQOITUWKRF-SWLSCSKDSA-N	310.419	2.278	70	20	DEID	
CC(=O)N1CC[C@@H](NC(=O)COc2cc(C)ccc2C(C)C)C1	159464669	FKEDMAJYMGYXOR-OAHLLOKOSA-N	318.417	2.234	70	20	DEID	
Cc1cc(=O)n(C)cc1NC(=O)c1ccc(N(C)C)cc1F	159869586	OIIDHXCTQLDBQN-UHFFFAOYSA-N	303.337	2.151	70	20	DEID	
CCc1ccc([C@H](CO)NC(=O)N[C@H]2CCCSC2)cc1	159481342	YTRLPQGQJCFSPP-GJZGRUSLSA-N	308.447	2.477	70	20	DEID	
CC[C@@H]1CN(C(=O)c2ccnc(OCC(F)(F)F)c2)CCO1	159881066	ZSAALWZIQNHRFB-LLVKDONJSA-N	318.295	2.274	70	20	DEID	
CSCC[C@H](N)C(=O)NC[C@@H](C)c1ccc(F)cc1F	159494737	IPLFBKUJNMMGIG-RNCFNFMXSA-N	302.390	2.265	70	20	DEID	
COCc1cc(N[C@H](C)CN2CCOCC2)nc(C(C)(C)C)n1	159733023	UWWQNEHDSXIKFL-CYBMUJFWSA-N	322.453	2.053	70	20	DEID	
CC(C)(C)N1C[C@H](NC(=O)Nc2cc(Cl)ccn2)CC1=O	217286270	QPDTVEKFUIBLQV-SNVBAGLBSA-N	310.785	2.256	70	20	DEID	
CC[C@H](CNc1ccc([N+](=O)[O-])cc1CS(=O)(=O)F)OC	882385077	AYSPXVSOAKVXBB-LLVKDONJSA-N	320.342	2.231	70	20	DEID	
O=S(=O)(F)c1ccc(N[C@H](C2CC2)[C@H]2CCCCO2)nc1	1550628508	ITTAMLTWMGNVIF-TZMCWYRMSA-N	314.382	2.499	70	20	DEID	
CC[C@@H](C)c1ccccc1OCC(=O)NCC[C@H](O)COC	161038247	VZPTWRUAYKQGRP-KGLIPLIRSA-N	309.406	2.093	70	20	DEID	
CCCn1c(C)nnc1Cn1cnc2cc(F)c(F)cc2c1=O	161368755	YITZEGMEVDUAGM-UHFFFAOYSA-N	319.315	2.033	70	20	DEID	
Cc1nn(C)c2ncc(NC(=O)N3CCC[C@@H]3C[C@H](C)O)cc12	160101856	LVQXEPXLWULXON-GXFFZTMASA-N	317.393	2.044	70	20	DEID	
CC1(C)CN(C(=O)CCc2cc3ccccc3[nH]c2=O)CCO1	160252073	XPWFSWHTUZVRNH-UHFFFAOYSA-N	314.385	2.098	70	20	DEID	
COCCCCNC(=O)N1CCC[C@H]1C[C@@H](O)c1ccco1	160378979	YWOYJDBAJMMFSV-UONOGXRCSA-N	310.394	2.304	70	20	DEID	
CN(C(=O)c1cccc(-n2ccnn2)c1)c1ccc2c(c1)OCO2	160523352	RRBZMGPDOLAITG-UHFFFAOYSA-N	322.324	2.273	70	20	DEID	
COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ncccc1C	160907851	XFVDOSIBLYMTLL-UHFFFAOYSA-N	324.333	2.117	70	20	DEID	
C[C@H](O)C[C@H](CNC(=O)c1ccc2[nH]nnc2c1)c1ccccc1	159402449	HAOAPKDTDQJYIM-SWLSCSKDSA-N	324.384	2.242	70	20	DEID	
O=C(CNC[C@@H]1CCCO1)N[C@@H]1CCC[C@H]1Cc1ccccc1	159447783	LJALSEIQRHEYBB-OKZBNKHCSA-N	316.445	2.283	70	20	DEID	
CCOCCN1CCN(C(=O)[C@H](C)Cc2ccccc2F)CC1	159727845	PZPBDSDLJDXLHU-OAHLLOKOSA-N	322.424	2.185	70	20	DEID	
COC(=O)[C@H](NC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F)C(C)C	159756019	WZDDORHWTFNBIG-UHIISALHSA-N	311.328	2.382	70	20	DEID	
CC(C)(C)OC(=O)N1CCSC[C@H]1CC(=O)N1CCCC1	160979247	KTXUZSNVNYOQCM-GFCCVEGCSA-N	314.451	2.351	70	20	DEID	
CCCNS(=O)(=O)c1cc(N(C)C)ccc1Br	160015573	DZAGVJCAMFUANN-UHFFFAOYSA-N	321.240	2.203	70	20	DEID	
Cc1ccc(NC(=O)C[C@@H]2CCOC2)cc1S(=O)(=O)F	857675579	TVGYQLXNKNUNQQ-JTQLQIEISA-N	301.339	2.018	70	20	DEID	
CCC[C@@H](OC)C(=O)Nc1ccc(C)c(S(=O)(=O)F)c1	857674333	WFVZLUWEYUBNEN-LLVKDONJSA-N	303.355	2.407	70	20	DEID	
CC[C@@H](Cc1ccccc1Br)C(=O)NCCCN	160067335	GNHBTNNZYWIWMB-NSHDSACASA-N	313.239	2.483	70	20	DEID	
COc1c(F)cc(NC(=O)CS(=O)(=O)C(C)(C)C)cc1F	161493999	IXZRYCITPLWHBR-UHFFFAOYSA-N	321.345	2.125	70	20	DEID	
O=C(C1=Cc2cc(Cl)ccc2OC1)N1C[C@@H]2CCC[C@H](C1)N2	160049089	DTWRAIPKJBXEMA-GASCZTMLSA-N	318.804	2.469	70	20	DEID	
CCc1ccc([C@@H](CO)NC(=O)NCCc2cscn2)cc1	160070143	QRAMSRUGLLRBGC-OAHLLOKOSA-N	319.430	2.281	70	20	DEID	
CCOCc1ccccc1CNC(=O)N1CCC[C@@](C)(O)C1	160274459	HXDZITHHKHAONB-QGZVFWFLSA-N	306.406	2.280	70	20	DEID	
CCc1c(NS(=O)(=O)N2CCCCC2)cnn1CC(C)C	160371139	IXHWOHUYOREORC-UHFFFAOYSA-N	314.455	2.244	70	20	DEID	
CCOC(=O)NCCCC(=O)N[C@H]1CCC[C@H]1SCC	160653168	VTYDJKONKNCFQF-NWDGAFQWSA-N	302.440	2.303	70	20	DEID	
CC[C@@H](C)OCC(=O)NCc1ccc(-n2ccnc2C)nc1	159864706	VJDHTPBCXAHZBK-GFCCVEGCSA-N	302.378	2.007	70	20	DEID	
COc1cccnc1N(C)S(=O)(=O)c1cc(F)cc(F)c1	159536832	KVFWXZQACDWHPG-UHFFFAOYSA-N	314.313	2.194	70	20	DEID	
CCc1nnsc1C(=O)Nc1ccc(S(=O)(=O)F)cc1	123089851	YMGMARWMQHAYAC-UHFFFAOYSA-N	315.351	2.011	70	20	DEID	
O=C(Nc1ncsc1C1CC1)c1cc(S(=O)(=O)F)c[nH]1	1337510132	OVGDQQWDLRFQLK-UHFFFAOYSA-N	315.351	2.259	70	20	DEID	
C=CCC1(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCCC1	1338944949	UZYUVICHSFPDFE-UHFFFAOYSA-N	300.355	2.292	70	20	DEID	
O=C([C@H]1CCCO1)N1CCOc2ccc(Br)cc21	217269333	AIARZZLRALGHRJ-GFCCVEGCSA-N	312.163	2.354	70	20	DEID	
CC(C)CN1CCCC[C@H]1CNC(=O)N[C@@H](CCO)C(C)C	161027491	LLTRCKMLGMPAKF-HOTGVXAUSA-N	313.486	2.203	70	20	DEID	
O=C([C@H]1CCn2ccnc2C1)N1CC[C@@H](Nc2ccccc2)C1	161155729	ZQSFYTUFZUJBSJ-GOEBONIOSA-N	310.401	2.159	70	20	DEID	
CNS(=O)(=O)c1ccc([C@@H](C)NCc2ccc(C)nc2)cc1	161321913	SEBWAXRANLXAPI-CYBMUJFWSA-N	319.430	2.149	70	20	DEID	
CNC(=O)[C@H](C)NC(=O)c1ccc(CCC(F)(F)F)cc1	160032650	FVEYJPGXFNZXHX-VIFPVBQESA-N	302.296	2.046	70	20	DEID	
CSC[C@@H]1CCCN1C(=O)NCCCC(=O)OC(C)C	160129776	SYJWLJQQIOCFEE-LBPRGKRZSA-N	302.440	2.255	70	20	DEID	
COCC[C@@H](C)NC(=O)Nc1ccc(O[C@H]2CCOC2)cc1	160396421	JNQNASNDYHZKSX-DOMZBBRYSA-N	308.378	2.401	70	20	DEID	
COCCOC1CCN(Cc2c(C)nc3ccccn23)CC1	160481810	SXECMERYHZYXOS-UHFFFAOYSA-N	303.406	2.270	70	20	DEID	
CC[C@@]1(C)C[C@H]1C(=O)N(C)Cc1nc2ccsc2c(=O)[nH]1	160621440	RLGRLAFUVAYZES-VFZGTOFNSA-N	305.403	2.379	70	20	DEID	
Cc1cc(C(=O)N[C@@H](C)c2cccc(N3CCCC3=O)c2)ncn1	160633745	DCXYTRAHAVIUJA-ZDUSSCGKSA-N	324.384	2.403	70	20	DEID	
O=C(NCc1nncn1-c1ccccc1)N1CCC2(CCC2)C1	160721833	VUUBFULUHKMSSQ-UHFFFAOYSA-N	311.389	2.353	70	20	DEID	
CC[C@H](O)CCNC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1	160984017	IKEQSJAJASGLPC-PMPSAXMXSA-N	306.406	2.367	70	20	DEID	
COCCC1(C(=O)N2CCN(c3ccncc3)CC2)CCCC1	159498381	RPVAVJXHRSZNPS-UHFFFAOYSA-N	317.433	2.327	70	20	DEID	
CC[C@@H](c1ccncc1)N(C)S(=O)(=O)c1c(C)noc1C	159717690	YKUOEOVYKKYPOD-ZDUSSCGKSA-N	309.391	2.458	70	20	DEID	
CS[C@H](C)CNC(=O)N[C@H](C)CN1C[C@@H](C)C[C@@H](C)C1	159759351	NULQNRJWQVXHFY-XJFOESAGSA-N	301.500	2.404	70	20	DEID	
COc1ccccc1CNC(=O)NCc1ccc(CO)cc1	217313944	DBSJKIZZPWKXGK-UHFFFAOYSA-N	300.358	2.187	70	20	DEID	
Cc1nc(-c2ccccc2NC(=O)[C@H]2CCC(=O)N2)cs1	218588178	NWLAUHAEKSZGGM-GFCCVEGCSA-N	301.371	2.336	70	20	DEID	
CC[C@@H](NC(=O)c1ccc(S(=O)(=O)F)cc1)[C@H]1CCCO1	864242470	GTDUVEXQHHKXQK-CHWSQXEVSA-N	315.366	2.032	70	20	DEID	
CCC[C@@H](CNC(=O)c1cccc(S(=O)(=O)F)c1)OCC	1337492181	TXVUUDADOFAOOM-LBPRGKRZSA-N	317.382	2.280	70	20	DEID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N[C@@H](C#N)C1CCCC1	1349780135	YDARLDFRRDNGSI-AWEZNQCLSA-N	324.377	2.465	70	20	DEID	
CC[C@@H]1CCCN(C(=O)C(=O)Nc2cc(C(=O)OC)cs2)C1	161035781	WKAZNCVMVIGHAE-SNVBAGLBSA-N	324.402	2.122	70	20	DEID	
CCCC(O)(CCC)CC(=O)N1CCC[C@H](CCC(N)=O)C1	161190801	CBKGXWALPGIQKH-CQSZACIVSA-N	312.454	2.212	70	20	DEID	
Cc1cccc(C)c1OCCCNC1CCN(C(N)=O)CC1	161231970	TWEPGDWBFMMZSO-UHFFFAOYSA-N	305.422	2.205	70	20	DEID	
CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)[C@H]1CCCO1	161407891	RJDPJUITNFWPLQ-CHWSQXEVSA-N	312.410	2.071	70	20	DEID	
CCNC(=O)c1ccc(NC(=O)N[C@@]2(C)CCOC2)c(C)c1	161412183	WMDVHIPDORIXDH-INIZCTEOSA-N	305.378	2.045	70	20	DEID	
CC[C@H](NC(=O)[C@@H]1CCn2ccnc2C1)c1nc(C)cs1	161440583	DFGOZKNQLIPKTR-NEPJUHHUSA-N	304.419	2.478	70	20	DEID	
COCCN(Cc1ccccc1)Cc1cc(C(N)=O)cs1	160452619	HMHACRCYZZRWSI-UHFFFAOYSA-N	304.415	2.496	70	20	DEID	
O=C1CCCC[C@H]1[C@H]1COCCN1C(=O)c1cccc(Cl)n1	160482202	NILLJFCQKNQJST-WCQYABFASA-N	322.792	2.335	70	20	DEID	
CN[C@H]1CCN(C(=O)CS[C@H](C)c2nc3ccccc3[nH]2)C1	160552782	DKDQIKGFWASOIQ-NEPJUHHUSA-N	318.446	2.177	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)c1ccc(NC(=O)C2CC2)cc1	160636483	OJJBXBIOAFIHKN-NSHDSACASA-N	318.373	2.107	70	20	DEID	
O=C1CC[C@H]2CN(C(=O)Nc3ccccc3Cl)CC[C@H]2N1	160703112	SZGJEWGVOJYWDD-CMPLNLGQSA-N	307.781	2.472	70	20	DEID	
CC(C)[C@H](NC(=O)c1ccco1)C(=O)N(C)Cc1cccn1C	160935073	UAIDGBVPCSHQNA-HNNXBMFYSA-N	317.389	2.031	70	20	DEID	
CC(C)(CO)[C@H](CNC(=O)NC[C@H]1CCCO1)c1ccccc1	160969693	XYMXLQCIPWWLEV-HZPDHXFCSA-N	320.433	2.267	70	20	DEID	
CC(C)OC(=O)CCCNC(=O)N[C@@H]1CCc2c(O)cccc21	159762823	UOMBPGQPTVBSBE-CQSZACIVSA-N	320.389	2.411	70	20	DEID	
O=C(C1CCCCC1)N1CCC(CNC(=O)C(F)(F)F)CC1	216725835	RJVDGXDKYHITOY-UHFFFAOYSA-N	320.355	2.484	70	20	DEID	
CC(C)(CCC(=O)Nc1ccc(S(=O)(=O)F)cc1)[N+](=O)[O-]	297608786	BXVLACIFVUETCH-UHFFFAOYSA-N	318.326	2.119	70	20	DEID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N[C@@H]1CS[C@@H](C)C1	1338197365	BVURWVWLYBDRIJ-UWVGGRQHSA-N	317.407	2.277	70	20	DEID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N(C)C1(C#N)CCC1	1338786950	MYXZPBARMSOJJJ-UHFFFAOYSA-N	310.350	2.172	70	20	DEID	
CCCCC1CCC(C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)CC1	161260199	GYBFOUPTWAABMQ-NEXFUWMNSA-N	310.438	2.132	70	20	DEID	
CC(C)N(CCS(C)(=O)=O)C(=O)Nc1ccc2c(c1)CCC2	160087803	NACWFOZYQSAYLA-UHFFFAOYSA-N	324.446	2.462	70	20	DEID	
CC(C)Cn1cc(NC(=O)C(=O)Nc2cc(F)ccc2F)cn1	160438538	DNMAVMDESFOBGG-UHFFFAOYSA-N	322.315	2.395	70	20	DEID	
C[C@H]1CN(C[C@@H]2CCCN2c2ncc(Cl)cn2)C[C@H](C)O1	160466729	YFYCWGYXDCWMMF-OBJOEFQTSA-N	310.829	2.208	70	20	DEID	
CC(C)[C@H](CCO)NC(=O)CC[C@H]1Cc2ccccc2NC1=O	160505745	AMJKSFITIWWDQJ-GJZGRUSLSA-N	318.417	2.101	70	20	DEID	
C[C@@H](NCCS(=O)(=O)c1ccc(F)cc1)c1cccnc1	160560532	MNRIMVYDTTUDAT-GFCCVEGCSA-N	308.378	2.345	70	20	DEID	
CCCNC(=O)c1cccc(CN[C@H]2CCN(C)[C@H](C)C2)c1	160564551	RFNZBNDHBRBNBJ-PBHICJAKSA-N	303.450	2.399	70	20	DEID	
CC(C)N(C)C(=O)C1CCN(CCCN2CCCCC2)CC1	160585584	KPXIGKMKFOYVTB-UHFFFAOYSA-N	309.498	2.441	70	20	DEID	
C[C@@H](NC[C@H]1CCCC[C@@H]1O)c1ccc(-n2cncn2)cc1	160638887	CFQQDCHBRBDYGK-UNEWFSDZSA-N	300.406	2.469	70	20	DEID	
CN(C[C@@H]1CCCCO1)C(=O)c1ccc(C(=O)NC2CC2)cc1	160783850	ZEDCRRJTNIMDOP-INIZCTEOSA-N	316.401	2.220	70	20	DEID	
COc1cccc(OCCCNC(=O)NCc2cccnc2)c1	160992857	JFBDVZWUZJACKK-UHFFFAOYSA-N	315.373	2.359	70	20	DEID	
CCC[C@@H]1CN(C(=O)N[C@H](C)c2nnc3ccccn23)CCO1	159407014	MFORHVRSUMHMNR-CHWSQXEVSA-N	317.393	2.001	70	20	DEID	
Cn1cnc2cc(C(=O)NCc3cc(F)ccc3F)cnc21	159803032	BXKIRRKWCPQIRQ-UHFFFAOYSA-N	302.284	2.177	70	20	DEID	
CC(C)(CNC1CCN(C2CCCCC2)CC1)S(C)(=O)=O	159813931	KRZVIGPRQVBTDI-UHFFFAOYSA-N	316.511	2.196	70	20	DEID	
CCC(CC)(CNCC(=O)N(C)c1ccccc1)C(=O)OC	159670507	UPHKRXWGRRMIAB-UHFFFAOYSA-N	306.406	2.218	70	20	DEID	
CC[C@@H](C(=O)N1CCC(NC(C)=O)CC1)c1ccc(F)cc1	159555639	RXVFCBKKRVLCBZ-MRXNPFEDSA-N	306.381	2.446	70	20	DEID	
CS[C@H](C)CC(=O)Nc1ccc(C(=O)N2CCOCC2)cc1	159962484	MGRBSENFONMPIU-GFCCVEGCSA-N	322.430	2.239	70	20	DEID	
Cc1ccc(S(=O)(=O)N(C)[C@H]2CCSC2)cc1N(C)C	159395628	XYDFAAZSIKINRW-LBPRGKRZSA-N	314.476	2.187	70	20	DEID	
CCN1CCC(NC(=O)CCc2nnc(C3CCCC3)o2)CC1	159583839	XKOJESHEOPCSDI-UHFFFAOYSA-N	320.437	2.260	70	20	DEID	
C[C@H](CNC[C@@H]1CCCN1C(=O)OC(C)(C)C)N(C)C1CC1	217581393	HXXRLPFRYYIECK-HIFRSBDPSA-N	311.470	2.458	70	20	DEID	
Cn1ccc(C(=O)NCc2ccc(Br)s2)n1	218008489	QMVKWMVBZZCJQB-UHFFFAOYSA-N	300.181	2.174	70	20	DEID	
Cc1conc1NC(=O)C(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C	161214086	UIQGENQCISUMLE-JSGCOSHPSA-N	313.357	2.326	70	20	DEID	
CC1=C(C(=O)NC2CCN(C(=O)c3ccco3)CC2)CCCO1	161431175	YABWPAVWGRJRFB-UHFFFAOYSA-N	318.373	2.085	70	20	DEID	
COCCN(C)CCCNC(=O)[C@@H]1C[C@@H]1c1sccc1C	161486234	HIHVCLOWWLQVBV-UONOGXRCSA-N	310.463	2.245	70	20	DEID	
O=C(CSc1ccncc1)Nc1nnc([C@@H]2CCCO2)o1	160018658	PCXMALADCCVUCY-JTQLQIEISA-N	306.347	2.047	70	20	DEID	
CCc1noc(C)c1NC(=O)C(=O)N1CCc2ccccc2C1	160136628	YXWBMMRDSCDXBD-UHFFFAOYSA-N	313.357	2.069	70	20	DEID	
CC[C@H](C)OCC(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)OC	160149909	LNIIIZJOFCVFBP-ZENOOKHLSA-N	307.390	2.468	70	20	DEID	
CN(CC(C)(C)CN1CCOCC1)C(=O)CCCn1cccc1	160271921	WGZHSUYKFVTDOL-UHFFFAOYSA-N	321.465	2.085	70	20	DEID	
Cc1nc2n(n1)C[C@H](NC1CCN(C3CCCCC3)CC1)CC2	160308993	JTFAZKZPINTWFP-MRXNPFEDSA-N	317.481	2.288	70	20	DEID	
C[C@@H](CS(=O)(=O)NCC1(CO)CCCC1)c1ccccc1	160339398	DHPYJVNMUMVIRC-AWEZNQCLSA-N	311.447	2.262	70	20	DEID	
CCc1nc(CN[C@H](C)c2ccc(N3CCOC3=O)cc2)n[nH]1	160386849	VNFQNKDPFZZPOT-LLVKDONJSA-N	315.377	2.175	70	20	DEID	
C[C@H](CO)N(C)C(=O)CCc1ncc(-c2ccc(F)cc2F)o1	160432787	GPWHZSZWZUWCBO-SNVBAGLBSA-N	324.327	2.392	70	20	DEID	
CC(C)Cn1cc(NC(=O)C(=O)Nc2ccccc2F)cn1	160490405	MDPJRBKTQYHIEH-UHFFFAOYSA-N	304.325	2.255	70	20	DEID	
CCn1ncc2ccc(NC(=O)N3CCC[C@](C)(O)C3)cc21	160570952	WTQKUJGQKIPALZ-INIZCTEOSA-N	302.378	2.435	70	20	DEID	
CS[C@H](C)CC(=O)N1CCC[C@@H]1C(=O)NCc1ccco1	160682334	XBTYVQIFOLHMTH-DGCLKSJQSA-N	310.419	2.028	70	20	DEID	
O=C1CC[C@@]2(C(=O)NC3CC=CC3)Sc3ccccc3N12	160788068	GRZKSYDHWVDXOV-INIZCTEOSA-N	300.383	2.450	70	20	DEID	
CCN(CCNC(=O)Nc1ccn(CC(F)(F)F)n1)C1CC1	160801409	LBVCVSCVUYPORR-UHFFFAOYSA-N	319.331	2.051	70	20	DEID	
COC(=O)CN(C(=O)c1cc(C(C)(C)C)n[nH]1)C1CCCC1	160832576	GLWGNDAOZVRHOE-UHFFFAOYSA-N	307.394	2.265	70	20	DEID	
CC(C)CN(CC(N)=O)C(=O)c1cccc(C(F)(F)F)c1	159825290	USMGNPSNKDHBGW-UHFFFAOYSA-N	302.296	2.289	70	20	DEID	
CCOCCC1(CNC(=O)NC[C@H](C)CN2CCCC2)CC1	159659918	FTHWNIFOVWBKNI-HNNXBMFYSA-N	311.470	2.224	70	20	DEID	
CN(C)C[C@@H]1CCN(CC2CCN(C(=O)C(C)(C)C)CC2)C1	159671589	DOEXWYHLXCTIGG-INIZCTEOSA-N	309.498	2.155	70	20	DEID	
COc1ccc(N(C)C(=O)[C@H](NC(C)=O)C(C)C)cc1Cl	159877241	YHOVSUVVACVEHG-CQSZACIVSA-N	312.797	2.472	70	20	DEID	
CCNc1ncc(C(=O)N[C@@H](CCO)c2ccccc2)s1	159503896	SOEJIXIHRALMIG-LBPRGKRZSA-N	305.403	2.428	70	20	DEID	
CN(CC(C)(C)CN1CCOCC1)C(=O)Cc1ccc(F)cc1	159768151	COAGIBHAKHKIEL-UHFFFAOYSA-N	322.424	2.185	70	20	DEID	
CCOC1CC(C(=O)Nc2cccc(S(=O)(=O)F)c2)C1	289731856	GSTJNOZJGWGWJU-UHFFFAOYSA-N	301.339	2.098	70	20	DEID	
O=C(c1ccc(S(=O)(=O)F)cc1)N1CCC(F)(F)CC1	864243580	OJURAFROXWPTHI-UHFFFAOYSA-N	307.293	2.216	70	20	DEID	
C[C@@H](CCO)Sc1ccc([N+](=O)[O-])cc1CS(=O)(=O)F	882030673	WYEKLOMCBBLFHS-QMMMGPOBSA-N	323.367	2.257	70	20	DEID	
CCN(C(=O)c1cc(S(=O)(=O)F)ccc1Cl)[C@@H](C)C#N	1262802664	GKIUSHGKSAEGND-QMMMGPOBSA-N	318.757	2.372	70	20	DEID	
CSCCCNC(=O)c1ccc(S(=O)(=O)F)cc1C	1340393170	GMQNHYHEPYGVBH-UHFFFAOYSA-N	305.396	2.136	70	20	DEID	
CC[C@@H](CC(=O)NCC[C@@H](O)COC)c1ccc(OC)cc1	161115332	GYXOBSDRWSELAI-DZGCQCFKSA-N	309.406	2.093	70	20	DEID	
C[C@@H](N[C@@H]1CCC[C@H](N(C)C)C1)c1ccc(-n2cnnn2)cc1	161119527	LQCMRRUTVZJWTA-UNEWFSDZSA-N	314.437	2.186	70	20	DEID	
COc1ccc(NC(=O)NC[C@@]2(O)CCc3ccccc32)cn1	160001102	POEKUGKEAFABDR-KRWDZBQOSA-N	313.357	2.046	70	20	DEID	
CC[C@H](C)c1ccc(S(=O)(=O)N[C@@H]2CCC(=O)N(C)C2)cc1	160085799	ACMGYYPHVNJDLY-GXTWGEPZSA-N	324.446	2.099	70	20	DEID	
O=C(NCCn1ccnn1)c1cc(Cl)cc(C(F)(F)F)c1	160260970	SDHSEVXYXDWHFN-UHFFFAOYSA-N	318.686	2.380	70	20	DEID	
Cc1c(C(=O)NCc2ccc(O)nc2)cnn1CCC(C)C	160400778	QPNXFRVTNSCFQC-UHFFFAOYSA-N	302.378	2.268	70	20	DEID	
COCCn1c(SCc2nncn2C)nc2ccccc21	160926774	IYEFPJZYUZEQLF-UHFFFAOYSA-N	303.391	2.104	70	20	DEID	
CC(C)C[C@@H](CCO)CNC(=O)N[C@@H]1CCOC(C)(C)C1	159376267	WZIGVGMWIFRFLR-ZIAGYGMSSA-N	300.443	2.288	70	20	DEID	
COc1ccc2c(c1)CCCN2C(=O)COc1cc(C)n(C)n1	159773709	QAVWQAFFJJZEBO-UHFFFAOYSA-N	315.373	2.095	70	20	DEID	
O=C(N[C@@H]1CCC[C@H]2OCC[C@H]12)c1cc(Br)c[nH]1	159897967	USCGETKRRIHKHH-CKYFFXLPSA-N	313.195	2.465	70	20	DEID	
CO[C@H]1CCC[C@@H]1C(=O)Nc1ccc(C)c(S(=O)(=O)F)c1	1121227028	OBUDEJXYNCWGJV-RYUDHWBXSA-N	315.366	2.407	70	20	DEID	
CCN(Cc1cnn(C)c1)[C@H](C)C(=O)N(C)Cc1ccccc1	161073275	MOYKNOXXZKJCNL-OAHLLOKOSA-N	314.433	2.289	70	20	DEID	
CCCCN(CCOC)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2	161074217	PLHNQYHGOIPRQF-KFWWJZLASA-N	310.438	2.402	70	20	DEID	
CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NC[C@@H](C)CCO	161075393	MZLRWJSKEJLFNB-GUYCJALGSA-N	316.401	2.085	70	20	DEID	
Cc1cc(C)cc(C[C@H](C)NC(=O)CNC[C@@H]2CCCO2)c1	161347243	YSZMMPQZPCBTDP-RDJZCZTQSA-N	304.434	2.119	70	20	DEID	
Cc1cc(C)c2ncc(C(=O)NC3CCN(C)CC3)c(O)c2c1	161501725	KLLMLRIOZCGVDV-UHFFFAOYSA-N	313.401	2.381	70	20	DEID	
Cc1cc(C(=O)N(C)CC[C@@H](C)O)nn1-c1ccc(F)cc1F	160136292	RBYDNWJYYAVDKR-LLVKDONJSA-N	323.343	2.302	70	20	DEID	
CC(C)n1cc(S(=O)(=O)N[C@@H](C)c2cccc(O)c2)cn1	160161272	UQQSZOKZQMKKMJ-NSHDSACASA-N	309.391	2.209	70	20	DEID	
Cc1nn(C)c(C)c1[C@H](OC(=O)[C@@H]1CCOC1)C(F)(F)F	160209928	MZTKJUYKWXTPAD-KOLCDFICSA-N	306.284	2.220	70	20	DEID	
CO[C@H](C)c1noc(CCC(=O)N(C)c2ccc(Cl)cn2)n1	160503075	XZDBEGSIZPNWPI-SECBINFHSA-N	324.768	2.421	70	20	DEID	
COc1ccc(CCNC(=O)NC2(C)CCC2)c(OC)c1OC	160632182	AYVCZYDFVHQNSF-UHFFFAOYSA-N	322.405	2.497	70	20	DEID	
COc1ccc(CCCNC(=O)/C=C/c2cnn(C)c2C)cc1	160734230	SHSSJWCQIPXKGJ-DHZHZOJOSA-N	313.401	2.499	70	20	DEID	
O=C(NCCn1ccnc1)NCC1C2CC3CC(C2)CC1C3	160744985	XPUZGOQPEFPCMM-UHFFFAOYSA-N	302.422	2.255	70	20	DEID	
O=S(=O)(c1ccccc1-c1ccccc1)N1CCC[C@H]1CO	159836060	OIPTXFHAYUPVHQ-HNNXBMFYSA-N	317.410	2.499	70	20	DEID	
CCN(CC)CCNC(=O)N1CCC(CCCN(C)C)CC1	159645635	XKODBRUDEGIFFP-UHFFFAOYSA-N	312.502	2.092	70	20	DEID	
COC1(C(=O)N2C[C@H](c3ccccc3C)C[C@@H]2C)CCNCC1	159894039	PFFWSHTVMQZHTD-JKSUJKDBSA-N	316.445	2.468	70	20	DEID	
CCOCCC1(CNC(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)CC1	159998495	PZFPFOUZSMZDRP-KBPBESRZSA-N	309.454	2.118	70	20	DEID	
O=C([C@H]1CCCNC1)N(Cc1ccccc1)CC1CCOCC1	159659022	PRFCAHCAGAGUHU-SFHVURJKSA-N	316.445	2.441	70	20	DEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC2(CCCCC2)C1	1120944632	SNFRADGAJCOJTJ-UHFFFAOYSA-N	314.382	2.469	70	20	DEID	
CC(C)(CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)c1ccccc1	1347081585	CYOIOVUHKAWKCD-UHFFFAOYSA-N	324.377	2.381	70	20	DEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1C2CCCC1CCC2	1516689727	MYINQKBHBKAUGJ-UHFFFAOYSA-N	300.355	2.220	70	20	DEID	
COC(=O)C1CCN(C(=O)[C@@H](C)c2c(F)cccc2F)CC1	161065302	DGLDIWKQNVELCT-JTQLQIEISA-N	311.328	2.480	70	20	DEID	
COC[C@@H](O)CCNC(=O)CCc1ccc2ccccc2c1	161231235	VDIUZTMHAKTBOO-KRWDZBQOSA-N	301.386	2.286	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)c1c[nH]nc1-c1ccccc1	160309800	XXZMRPOSTZQLLZ-LLVKDONJSA-N	301.346	2.148	70	20	DEID	
C[C@H](NC(=O)Nc1ccn(CC(F)(F)F)n1)[C@H]1CCCO1	160390726	MDNIIWXGTCFYQJ-DTWKUNHWSA-N	306.288	2.134	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)Cn1ccc2cc(OC)ccc21	160574551	VYIIVWGPCYSIEJ-GFCCVEGCSA-N	318.373	2.108	70	20	DEID	
Cc1ccc(C(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)cc1Cl	160592097	ZHIJPEIXRRASON-TZMCWYRMSA-N	306.793	2.389	70	20	DEID	
CCc1cc(O)nc(CN2CCN(c3cccc(C)c3)CC2)n1	160600156	RWRSZRQKNRYPRN-UHFFFAOYSA-N	312.417	2.375	70	20	DEID	
C[C@@H](N[C@@H](CN1CCCC1=O)c1ccccc1)c1cnn(C)c1	160714512	UZGBXBCEWSQDJN-PBHICJAKSA-N	312.417	2.434	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)C(C)(C)Oc1ccc(F)cc1	160721350	ZRKWZCBTAOCWSD-LLVKDONJSA-N	311.353	2.441	70	20	DEID	
CCC(CC)(CO)CNC(=O)Nc1cnc2c(c1)c(C)nn2C	160764159	LAPYHMQRNBOIBD-UHFFFAOYSA-N	319.409	2.197	70	20	DEID	
CCCSCC(=O)Nc1cccn(CC(F)(F)F)c1=O	159438113	DNAXVUYZHVLQNN-UHFFFAOYSA-N	308.325	2.492	70	20	DEID	
C[C@@H](N[C@H]1CCN(c2cnn(C)c2)C1=O)c1cccc(F)c1F	159473672	BATPDRRLEDVXBL-YGRLFVJLSA-N	320.343	2.154	70	20	DEID	
O=C(CC[C@@H]1CCCO1)Nc1cccc(S(=O)(=O)F)c1	460095728	SIKQQYQQUVQRMC-NSHDSACASA-N	301.339	2.243	70	20	DEID	
O=C(OCC(F)(F)C(F)F)c1cccc(S(=O)(=O)F)c1	1119683464	PSQMWZPGDBBUAB-UHFFFAOYSA-N	318.219	2.402	70	20	DEID	
CCN1CC[C@H](NCCCc2nnc3n2CCCCC3)[C@H](C)C1	161147542	YZFJSJNPOPKNDC-CVEARBPZSA-N	319.497	2.257	70	20	DEID	
O=C(c1csc([C@H]2CCCO2)n1)N1CCOCC12CCC2	161190625	CKGZFGNOMQGRKI-GFCCVEGCSA-N	308.403	2.390	70	20	DEID	
C[C@@]1(c2ccc(F)cc2)NC(=O)N(Cc2nccs2)C1=O	161215655	DKXIGEFRECBZOM-AWEZNQCLSA-N	305.334	2.249	70	20	DEID	
CCC[C@H](C)N1C[C@@H](C(=O)Nc2ccc(OC)c(N)c2)CC1=O	161241184	AAHIVVSFQJRIMR-RYUDHWBXSA-N	319.405	2.253	70	20	DEID	
COCCCC(=O)N1CCCC[C@H]1CNC(=O)OC(C)(C)C	161405077	KCEBEUMHADJCLQ-ZDUSSCGKSA-N	314.426	2.319	70	20	DEID	
Cc1ccc(C)c(S(=O)(=O)NC[C@H](O)c2cccc(F)c2)c1	160090051	QCRIRVDAJFWRTM-HNNXBMFYSA-N	323.389	2.454	70	20	DEID	
CC(C)C[C@H](CO)NC(=O)Nc1ccc(O[C@H]2CCOC2)cc1	160175327	JOZUPYFCVNXWOT-ZBFHGGJFSA-N	322.405	2.383	70	20	DEID	
C[C@@]1(O)CCCN(C(=O)NC[C@@H]2CCN(c3ccccc3)C2)C1	160443159	OWHHTZPBFFYDRX-MAUKXSAKSA-N	317.433	2.069	70	20	DEID	
CN(C(=O)N[C@H]1CCO[C@@H](C2CC2)C1)C1CCC(CO)CC1	160556608	PKQHSJRDRSOEJZ-OMFOHFGMSA-N	310.438	2.137	70	20	DEID	
CCc1ccc(CCC(=O)NC[C@@H](O)CN2CCCCC2)cc1	160701592	NAVINPKOQMUCCS-GOSISDBHSA-N	318.461	2.145	70	20	DEID	
CCN1CCCN(C(=O)NC[C@H](C)N(C)c2ccccc2)CC1	159623911	IKZIZQJKWDTWHS-INIZCTEOSA-N	318.465	2.249	70	20	DEID	
CCOc1ccccc1N(C)CC(=O)NC(=O)NCC(C)C	159438925	ZYAHTLRHIZIRQQ-UHFFFAOYSA-N	307.394	2.003	70	20	DEID	
Cc1cccc2nc(CNC(=O)c3ccc(N(C)C)nc3)n(C)c12	159838303	VIGQGNAATQYDSW-UHFFFAOYSA-N	323.400	2.273	70	20	DEID	
CN(C)[C@H](CNC(=O)N[C@H]1CCO[C@H](C2CC2)C1)c1ccco1	159483389	FEZVMVIJXMXJPV-LZWOXQAQSA-N	321.421	2.139	70	20	DEID	
CC(C)NC(=O)NC(=O)[C@H](C)N[C@@H](C)c1cccc(F)c1F	159500229	MKJPUGNTSGRMIR-UWVGGRQHSA-N	313.348	2.238	70	20	DEID	
CC(=O)Nc1ccc(NC(=O)NCc2nc(C)no2)c(Cl)c1	159580546	RLVSBHBNKMLNIV-UHFFFAOYSA-N	323.740	2.312	70	20	DEID	
CCc1ccc(/C=C/C(=O)N(C)[C@@H](C)CS(=O)(=O)CC)o1	159996484	JIVJFIIYHALGKN-VMPCVLLUSA-N	313.419	2.137	70	20	DEID	
COC(=O)c1ccc(F)cc1S(=O)(=O)N(C)[C@H](C)C1CC1	218053446	ZZXFPAVHWMLRGF-SECBINFHSA-N	315.366	2.031	70	20	DEID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)[C@@H]1COc2ccccc21	185104546	YLJVXLHOULSDND-CYBMUJFWSA-N	321.329	2.460	70	20	DEID	
Cc1ccc(NC(=O)[C@H]2C[C@@]23CCOC3)cc1S(=O)(=O)F	857675278	ITIUJWXLYXSGPE-BXUZGUMPSA-N	313.350	2.018	70	20	DEID	
COC[C@H](NC(=O)c1ccc(S(=O)(=O)F)cc1C)C(C)C	1337326614	VQNNWATYIKVNMY-ZDUSSCGKSA-N	317.382	2.054	70	20	DEID	
CC(F)(F)CCNC(=O)CCc1ccc(S(=O)(=O)F)cc1	1340753402	NKXJMXPJPLJYHA-UHFFFAOYSA-N	323.336	2.439	70	20	DEID	
C[C@H]1CCC[C@H](C)C1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1354031714	KJKFBXPPAHAFMU-IUCAKERBSA-N	302.371	2.227	70	20	DEID	
CCOC(=O)[C@@H]1CCCCN1Cc1ccccc1C(=O)OC	161245307	YTYHEQWONQZQPC-HNNXBMFYSA-N	305.374	2.391	70	20	DEID	
COC(=O)C[C@H](NC(=O)[C@H](C)N)c1ccc(C(C)(C)C)cc1	161430926	KDKCVQTWVCKQRO-FZMZJTMJSA-N	306.406	2.052	70	20	DEID	
CCN1C[C@@H](C(=O)N(C)c2ccc(OC)c(Cl)c2)CC1=O	160001524	KDMNHNPLAQXHCD-JTQLQIEISA-N	310.781	2.180	70	20	DEID	
Cc1cccc([C@H]2CCCN2CC(=O)NCc2cccnc2)n1	160058859	VDQCRHDRDCQEKE-QGZVFWFLSA-N	310.401	2.238	70	20	DEID	
CC(C)[C@H](SCCN1CCOCC1)C(=O)NC1CCCC1	160059531	KQTBJAGLHJIXFC-HNNXBMFYSA-N	314.495	2.135	70	20	DEID	
CC[C@H](C)OCC(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)OC	160149657	LNIIIZJOFCVFBP-WOSRLPQWSA-N	307.390	2.468	70	20	DEID	
O=C1CCCC[C@@H]1[C@H]1COCCN1C(=O)c1cccc(F)c1	160391728	JXLASYWTBVYNFJ-HUUCEWRRSA-N	305.349	2.426	70	20	DEID	
CN(Cc1ccccn1)C(=O)c1ccc(C(=O)NC2CC2)cc1	160417596	RNXDUKOEESFMPE-UHFFFAOYSA-N	309.369	2.246	70	20	DEID	
CC(C)[C@@H](CCO)NC(=O)CC[C@@H]1Cc2ccccc2NC1=O	160505356	AMJKSFITIWWDQJ-HUUCEWRRSA-N	318.417	2.101	70	20	DEID	
CCCN(CC1CC1)C(=O)Cc1cccc(OCC(=O)NC)c1	160679866	NSLDJONVVVFVEQ-UHFFFAOYSA-N	318.417	2.003	70	20	DEID	
CCCO[C@@H]1CCCN(C(=O)N[C@H]2CCN(CC3CC3)C2)CC1	160731099	IXRWHUNSYWORGQ-DLBZAZTESA-N	323.481	2.461	70	20	DEID	
COC[C@H](NC(=O)c1c(-c2ccccn2)noc1C)C(C)C	160778263	UQCLBKHUDCAKQS-ZDUSSCGKSA-N	303.362	2.446	70	20	DEID	
O=C(NCC1(CO)CCOCC1)Nc1ccc(Cl)c(F)c1	160974630	OTHOQTHKHNCVTE-UHFFFAOYSA-N	316.760	2.390	70	20	DEID	
Cc1nccc(NC(=O)N[C@@H](C)CO[C@@H]2CCOC2)c1Cl	159657543	PBULFJKHKPOKQU-GXSJLCMTSA-N	313.785	2.359	70	20	DEID	
COc1ccc([C@@H](O)CNS(=O)(=O)c2ccc(C)cc2)cc1	159466109	KRVWHAVMIIJDCJ-INIZCTEOSA-N	321.398	2.016	70	20	DEID	
Cc1nn(C)c(C)c1[C@H](OC(=O)[C@H]1CCCO1)C(F)(F)F	159876708	AZJPUWNZSMKBDA-KOLCDFICSA-N	306.284	2.363	70	20	DEID	
Cc1noc(C)c1C[C@@H](C)NS(=O)(=O)c1ccccc1F	159882625	YXUAVNUMEZCKHC-SECBINFHSA-N	312.366	2.340	70	20	DEID	
CC(C)(O)CCS(=O)(=O)Cc1noc(C2CCCCC2)n1	159379178	JTRLPCSKBFWPBN-UHFFFAOYSA-N	316.423	2.193	70	20	DEID	
Cc1cc(NC(=O)C[C@H]2COC(=O)C2)n(-c2ccc(F)cc2)n1	159398124	MSZADLAVTNEDCY-LLVKDONJSA-N	317.320	2.212	70	20	DEID	
O=C1CCC(COC(=O)c2ccc(S(=O)(=O)F)cc2)CC1	490538160	XDZZPUGEDNJZTK-UHFFFAOYSA-N	314.334	2.261	70	20	DEID	
O=S(=O)(C1CC1)N(Cc1ccc(O)cc1)Cc1ccco1	161079732	WWXMZWPFGPYZHW-UHFFFAOYSA-N	307.371	2.480	70	20	DEID	
O=C(NC[C@H]1CC=CCC1)N1CCCN(CC(F)F)CC1	161123632	HUWXNETZGNSSON-ZDUSSCGKSA-N	301.381	2.325	70	20	DEID	
CCCCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCN(C(=O)CC)C1	161182490	BGCDEXVIQUEIAV-HZPDHXFCSA-N	323.481	2.016	70	20	DEID	
Cc1ccnc(N2CCN(C(=O)Cc3ccccc3F)CC2)c1	161450948	DFKAOHKTMZVMEH-UHFFFAOYSA-N	313.376	2.420	70	20	DEID	
C[C@@H](NCC1(CO)CCCC1)c1ccc(S(C)(=O)=O)cc1	160117642	VNQJZFVLSCGQNX-CYBMUJFWSA-N	311.447	2.293	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)c1[nH]c(C)c(C(C)=O)c1CC	160378139	IVSMAIZIYPQFBQ-VIFPVBQESA-N	308.378	2.160	70	20	DEID	
COc1ccsc1C(=O)N1CCOC[C@@H]1[C@H]1CCCCC1=O	160486551	MUMCOCSKSWJNLM-VXGBXAGGSA-N	323.414	2.357	70	20	DEID	
COC(=O)NCc1ccc(NC(=O)[C@@H]2CCC(=O)C[C@H]2C)cc1	160846703	DZWAGZHQMRAUGR-IAQYHMDHSA-N	318.373	2.486	70	20	DEID	
Cn1cc(CCNC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)cn1	160927815	QVANYPHTKVITIK-STQMWFEESA-N	305.328	2.161	70	20	DEID	
CCO[C@@H](C)c1noc(CSCCCCS(C)(=O)=O)n1	160954926	AHUOTGCCJIIVHI-JTQLQIEISA-N	322.452	2.225	70	20	DEID	
Cc1nccc(NC(=O)N(C)C[C@@H](O)C(F)(F)F)c1Cl	159678420	AETGYMZEFXQJBH-MRVPVSSYSA-N	311.691	2.430	70	20	DEID	
O=C(N[C@H]1CCO[C@@H](C2CC2)C1)N[C@H](CCO)c1ccccc1	159739630	VTUPJDHYBXRINI-GVDBMIGSSA-N	318.417	2.367	70	20	DEID	
CCO[C@H]1CCCN(C(=O)c2ccnc(OCC(F)F)c2)C1	159932882	NTAHKZORTAEGEC-LBPRGKRZSA-N	314.332	2.367	70	20	DEID	
Cc1cc(C(=O)NCc2cccc(CO)c2)nn1C(C)(C)C	216910153	KBBPMUHHUYTSBD-UHFFFAOYSA-N	301.390	2.369	70	20	DEID	
C#C[C@H](C)N(C)C(=O)c1cc(S(=O)(=O)F)ccc1Cl	1262794216	XFYCISFZLIXQKY-QMMMGPOBSA-N	303.742	2.092	70	20	DEID	
CN(Cc1cscn1)S(=O)(=O)Cc1c(F)cccc1F	161200905	UCZXZQYZIGQYPP-UHFFFAOYSA-N	318.370	2.383	70	20	DEID	
CNC[C@@H]1CCCN1C(=O)CCCOCCc1ccccc1	161227673	GOQPOYMFYXVMRW-KRWDZBQOSA-N	304.434	2.236	70	20	DEID	
CN(C(=O)c1cnn(C)c1-n1cccc1)c1ccc2c(c1)OCO2	160161140	OHIXCGMMGOHKKU-UHFFFAOYSA-N	324.340	2.216	70	20	DEID	
Cc1ccc(-c2nnc(NC(=O)Cc3c[nH]c4ncccc34)[nH]2)o1	160423173	IBDBXVWTEKVRQC-UHFFFAOYSA-N	322.328	2.431	70	20	DEID	
CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)N[C@@H]1C=CCCC1	160452425	WPZCAOXPCMCNBL-SNVBAGLBSA-N	318.402	2.235	70	20	DEID	
CC[C@@H](NC(=O)[C@@H](C)NC(=O)c1ccoc1)c1c(C)noc1C	160547370	NINBIQPIQDWFHV-ZWNOBZJWSA-N	319.361	2.270	70	20	DEID	
CN[C@H]1CCN(C(=O)CS[C@@H](C)c2nc3ccccc3[nH]2)C1	160552667	DKDQIKGFWASOIQ-RYUDHWBXSA-N	318.446	2.177	70	20	DEID	
CC(=O)N1CC[C@@H](NC(=O)[C@H](C)CCc2cccc(F)c2)C1	159849515	RTPAULIMLPWMIO-MLGOLLRUSA-N	306.381	2.131	70	20	DEID	
C[C@@H]1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)F)cc2)CCO1	274983478	QDSPVMVZWYVTRD-ZJUUUORDSA-N	301.339	2.098	70	20	DEID	
CCN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)c1nc(C)cs1	1121032798	XZYPCZBAIAZSIK-UHFFFAOYSA-N	317.367	2.105	70	20	DEID	
CC(C)CCCNC(=O)Cc1ccc(S(=O)(=O)F)cc1	1337983505	LRRULLLLSFIOBW-UHFFFAOYSA-N	301.383	2.440	70	20	DEID	
CO[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1c(C)cc(C)cc1C	160022367	QJYQFGFLUYNPGI-ZIAGYGMSSA-N	304.390	2.234	70	20	DEID	
NC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)Cc1ccc(O)cc1Cl	160386023	WORFNEFFZXEDBA-OCCSQVGLSA-N	324.808	2.139	70	20	DEID	
Cc1cc(C(=O)N2CCOC[C@@H]2[C@@H]2CCCCC2=O)c(C)o1	160411910	JZDVEQSJDTXZFF-DZGCQCFKSA-N	305.374	2.497	70	20	DEID	
CSc1ccccc1NC(=O)CN(C)Cc1ccnn1C	160886874	WVSDBZNPGMFCHJ-UHFFFAOYSA-N	304.419	2.213	70	20	DEID	
C[C@@H]1CC(=O)CC[C@@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1	159416300	WTXGRGHODDKAFM-OCCSQVGLSA-N	324.421	2.071	70	20	DEID	
CC[C@@H](CCO)NC(=O)c1ccc(OC2CCOCC2)cc1	159446922	LNJWPSSXXHFEBB-AWEZNQCLSA-N	307.390	2.135	70	20	DEID	
CC(C)OC(=O)CCCNC(=O)N[C@H](CCO)c1ccccc1	159738188	RZVLGBQMYDCCNO-OAHLLOKOSA-N	322.405	2.141	70	20	DEID	
O=C(CNC(=O)c1cccc(Cl)c1)NCC1(C2CC2)CC1	159766796	DPZRFXNAMXTDLU-UHFFFAOYSA-N	306.793	2.376	70	20	DEID	
CCc1c(C(=O)NCC(C)(C)N)cnn1-c1ccc(F)cc1	159992047	GXNCCYPBSNEZPK-UHFFFAOYSA-N	304.369	2.041	70	20	DEID	
CC(C)N1C[C@@H](NC(=O)NCCCCc2ccccc2)CC1=O	217289296	GVBDTUHWGQMBHS-INIZCTEOSA-N	317.433	2.318	70	20	DEID	
CC(C)(C)OC(=O)NC[C@H](O)COc1ccc(F)c(F)c1	161296030	IUSARXMBALNNJP-VIFPVBQESA-N	303.305	2.229	70	20	DEID	
Cc1ccc(NC(=O)CC[C@H]2CCOC2)cc1S(=O)(=O)F	857675079	AIKMBGIAUUOUIZ-NSHDSACASA-N	315.366	2.408	70	20	DEID	
O=C(NCCC(F)F)c1cc(S(=O)(=O)F)ccc1Cl	1337711778	BBLFPUPTBFBLEV-UHFFFAOYSA-N	315.700	2.383	70	20	DEID	
CCCn1c(C)nnc1CN1C(=O)NC(CCC)(CCC)C1=O	161195818	CLLOQXONYRELLD-UHFFFAOYSA-N	321.425	2.387	70	20	DEID	
CCC[C@@H](C)CC(=O)N[C@H]1CCN(C(=O)c2ccccn2)C1	160149860	VWFIWFOQTGBWRZ-KGLIPLIRSA-N	303.406	2.239	70	20	DEID	
Cc1conc1NC(=O)C(=O)NC[C@H]1CCCc2ccccc21	160238857	NRORPDNQMBFQDI-CYBMUJFWSA-N	313.357	2.158	70	20	DEID	
O=S(=O)(Nc1ccn(CC(F)(F)F)n1)c1cccc(F)c1	160247365	ZJUWYCQTTZGNQT-UHFFFAOYSA-N	323.271	2.385	70	20	DEID	
CCOc1c(Cl)cc(CN2CCC[C@@H]2C(N)=O)cc1OC	160315959	YPGUSNZIOKZQRE-GFCCVEGCSA-N	312.797	2.197	70	20	DEID	
CCC(CC)(CO)CNC(=O)Nc1cccc(C(=O)NC)c1C	160612902	GIZHIXUMXLKHEM-UHFFFAOYSA-N	321.421	2.275	70	20	DEID	
Cc1c(C(=O)N(C)Cc2cccn2C)cnn1-c1ccccn1	160779555	UNWXJRIDBQQQSX-UHFFFAOYSA-N	309.373	2.186	70	20	DEID	
CNC(=O)COc1cccc(CC(=O)N(CC(C)C)C2CC2)c1	160908211	KAMJIUABBRAKLT-UHFFFAOYSA-N	318.417	2.001	70	20	DEID	
COCCN(C)CCN[C@H](C)c1ccc(N2CCCC2=O)cc1	159405850	PJTCFPUVBVVAGK-OAHLLOKOSA-N	319.449	2.042	70	20	DEID	
C[C@@H](c1cccnc1)N(C)C(=O)c1csc(S(C)(=O)=O)c1	159814163	MHKPRWGBNYEYQI-JTQLQIEISA-N	324.427	2.380	70	20	DEID	
Cc1cc(N[C@@H](C)C(=O)NCCc2ccc(F)cc2)nn1C	159668036	YQMRBBYHOMIPSR-LBPRGKRZSA-N	304.369	2.027	70	20	DEID	
CCOc1cc(C(=O)NCC(C)(C)N)cc(OCC)c1OCC	159978030	COWFGFFIKKTBKB-UHFFFAOYSA-N	324.421	2.350	70	20	DEID	
CC(C)[C@@H](CCO)NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1	160728391	XJWXIOCIUVSJSU-QZTJIDSGSA-N	318.461	2.422	70	20	DEID	
CCOc1ccccc1NC(=O)N[C@H]1CC(=O)N(C(C)C)C1	217288873	SLIWZKFIJDMMOP-LBPRGKRZSA-N	305.378	2.216	70	20	DEID	
CCN(C(=O)c1cccc(S(=O)(=O)F)c1)c1cccnc1	1262732247	ABDHXTHBKQFYAE-UHFFFAOYSA-N	308.334	2.407	70	20	DEID	
CCC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(OC)c(N)c1	161006921	PDAPNTZKKONTNQ-CYBMUJFWSA-N	305.378	2.007	70	20	DEID	
CC(C)NC(=O)c1ccc(NC(=O)N[C@H]2CC[C@H](O)CC2)cc1	161082933	GBOVLIYQDOWQBQ-GASCZTMLSA-N	319.405	2.250	70	20	DEID	
CCN1CCCC[C@H]1CNC(=O)NCCc1ccncc1C	161134016	YHAMKVABZFPTRX-INIZCTEOSA-N	304.438	2.106	70	20	DEID	
COc1ccccc1SCC(=O)NCC(C)(C)CN(C)C	161139778	QGQAXKXNBUGPHP-UHFFFAOYSA-N	310.463	2.491	70	20	DEID	
COc1ccccc1N1CC[C@H](NC(=O)C2(C)CCC2)C1=O	161345595	CFHDXWMTLFRKFC-LBPRGKRZSA-N	302.374	2.107	70	20	DEID	
C/C(=C/C(=O)NC[C@@H](O)CN1CCCCC1)c1ccc(F)cc1	160024922	RAFJGXAQJCUWMU-VWILAXROSA-N	320.408	2.192	70	20	DEID	
CC(C)Cn1cnc(S(=O)(=O)N[C@H](C)c2cccc(O)c2)c1	160142729	IIQHIXQVDNUHFI-GFCCVEGCSA-N	323.418	2.284	70	20	DEID	
O=C(C[C@@H]1CCS(=O)(=O)C1)N[C@H]1CCCc2sccc21	160169802	VZENFXJLLGNTDH-JQWIXIFHSA-N	313.444	2.067	70	20	DEID	
COc1cccc2c1CC[C@@H]2NC(=O)COCC(F)(F)F	160227487	QRKLWDIFWPKGBW-NSHDSACASA-N	303.280	2.378	70	20	DEID	
C[C@@H](Cc1ccc(O)cc1)NC(=O)c1cccc(-n2ccnn2)c1	160253313	XMLWLTXMOKWKQJ-ZDUSSCGKSA-N	322.368	2.334	70	20	DEID	
CN(CCCNC(=O)N1CCC[C@@](C)(O)C1)C1CCCCC1	160312347	GPVCBFKIJNYXEP-QGZVFWFLSA-N	311.470	2.197	70	20	DEID	
CCN(Cc1ccccc1C)C(=O)C(=O)Nc1nocc1C	160443536	OKRQDEADXNSBGB-UHFFFAOYSA-N	301.346	2.279	70	20	DEID	
O=C(N[C@H]1CCO[C@H](C2CC2)C1)N1CCC[C@H](N2CCCC2)C1	160527470	LVFQSFNEMSVLKF-ULQDDVLXSA-N	321.465	2.214	70	20	DEID	
CCN(CC)CCNC(=O)N1CCOC2(CCCCCC2)C1	160637238	BPNNGTMYJIHGEB-UHFFFAOYSA-N	311.470	2.463	70	20	DEID	
COc1cc(N(C)C(=O)[C@@H]2CCC[C@H](N)C2)cc(OC)c1OC	160854415	FURXQVYXBSRUIG-NEPJUHHUSA-N	322.405	2.193	70	20	DEID	
O=C(CNc1cccc(F)c1)N[C@@H]1c2ccccc2C[C@@H]1O	159852408	XFSPCEBFSHGHFB-DOTOQJQBSA-N	300.333	2.012	70	20	DEID	
O=C1NC2(CCC2)C(=O)N1Cc1noc(C2CCCCC2)n1	159735963	DHQMRVBZGGCSIK-UHFFFAOYSA-N	304.350	2.092	70	20	DEID	
O=C(Nc1cccc(S(=O)(=O)F)c1)c1cc2n(n1)CCCC2	460088417	CMFYYTBHBRDONQ-UHFFFAOYSA-N	323.349	2.130	70	20	DEID	
COCCC1(C(=O)Nc2cccc(S(=O)(=O)F)c2)CCC1	460088434	COGUROWSKMWGQC-UHFFFAOYSA-N	315.366	2.490	70	20	DEID	
Cc1ccc(Cl)c(NC(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)c1	161194664	MCTBQSQWGOWKFK-FZMZJTMJSA-N	311.813	2.489	70	20	DEID	
NC(=O)CCOc1ccccc1NC(=O)NCC1(C2CC2)CC1	161211546	WGEBLDVZTDEPDZ-UHFFFAOYSA-N	317.389	2.253	70	20	DEID	
CC(=O)NC1CCC(N[C@@H]2CCC[C@@H](C(=O)NC(C)C)C2)CC1	161504528	OUFREYGDJBFMDI-RDHHWEPZSA-N	323.481	2.107	70	20	DEID	
CC(C)c1nc(S(=O)(=O)N[C@@H](C)c2cccc(O)c2)c[nH]1	160183114	KXZSIGFTCNNMCB-JTQLQIEISA-N	309.391	2.278	70	20	DEID	
CC(C)CCC1CCN(C(=O)NCCN2CCOCC2)CC1	160250422	NZGPBXIQHCSORN-UHFFFAOYSA-N	311.470	2.176	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)c1ccc(F)cc1OC(F)F	160390122	OHNKJCOFHXBHBF-MRVPVSSYSA-N	319.279	2.499	70	20	DEID	
Cc1cc(NC(=O)CC2CCNCC2)ccc1C(=O)N(C)C	160517649	PQMMGYISQVHITL-UHFFFAOYSA-N	303.406	2.025	70	20	DEID	
N[C@@H]1CCC[C@@H](NC(=O)c2cnc(-c3ccccn3)s2)C1	160763620	WSCLWIAYFSAXGA-GHMZBOCLSA-N	302.403	2.205	70	20	DEID	
Cc1noc(CCC(=O)N[C@H](C)CC(=O)c2cccs2)n1	160834314	ZZLUYRZZWCNTNU-SECBINFHSA-N	307.375	2.150	70	20	DEID	
Cc1nc(CC(=O)Nc2nnc(-c3ccccn3)[nH]2)c(C)s1	160885114	MCTNULAIOCRAGM-UHFFFAOYSA-N	314.374	2.121	70	20	DEID	
Cc1nn(C)c(=O)c(-c2nc(-c3ccc4c(c3)CCO4)no2)c1C	160901138	LWVMOHRUZILZMT-UHFFFAOYSA-N	324.340	2.049	70	20	DEID	
CCc1n[nH]c(-c2ccccc2NC(=O)c2cncnc2C)n1	160924815	RVEVNRQCBDGNFU-UHFFFAOYSA-N	308.345	2.385	70	20	DEID	
CCN(CC1CC1)C(=O)C(=O)Nc1ccn(CCC(C)C)n1	159463878	APQKXXQMYBNNNU-UHFFFAOYSA-N	306.410	2.126	70	20	DEID	
CC(C)(C)N1C[C@@H](NC(=O)CCc2ccc(F)cc2F)CC1=O	159861194	WLKPBYNCUYZDFW-ZDUSSCGKSA-N	324.371	2.413	70	20	DEID	
Cc1ccc(NC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)cc1S(=O)(=O)F	857675392	LYMBZGLYBFUGGO-IJLUTSLNSA-N	313.350	2.159	70	20	DEID	
O=S(=O)(F)CCN1CCc2ccc(Br)cc21	883954394	LPDODJQRIGTAEQ-UHFFFAOYSA-N	308.172	2.111	70	20	DEID	
O=C(NCc1ccnc(N2CCCC2)c1)c1cccc(F)n1	161257207	QZVHCOJCXHDBAB-UHFFFAOYSA-N	300.337	2.146	70	20	DEID	
COC1(C(=O)N(C)Cc2cc3ccccc3o2)CCNCC1	161416648	FYUMJIRHNHDCGD-UHFFFAOYSA-N	302.374	2.160	70	20	DEID	
Cc1ccc(NC(=O)N(CCO)CCO)cc1OCCC(C)C	161459621	SJFZAEWQEDRWQB-UHFFFAOYSA-N	324.421	2.238	70	20	DEID	
Cc1cnccc1CCNC(=O)NC[C@@H](C)N1CCC(C)CC1	160213653	BYGAEBOSSJADIT-MRXNPFEDSA-N	318.465	2.352	70	20	DEID	
CCCNC(=O)[C@@H](C)[S@@](=O)c1ncc(C(C)(C)C)s1	160445294	WOAFRDNRUPYDLE-HOGDKLEQSA-N	302.465	2.463	70	20	DEID	
Cc1nnc(CSc2ccc(C(=O)N3CCCC3)cn2)n1C	160985262	XBGPNPRNSFHFJR-UHFFFAOYSA-N	317.418	2.047	70	20	DEID	
CCOCCC1(CNC(=O)NCc2ccnc(OC)c2)CCC1	159413102	AZAAXGHMKWHADH-UHFFFAOYSA-N	321.421	2.486	70	20	DEID	
C[C@@]1(CNC(=O)NCCCOC[C@@H]2CCCO2)CCCS1	159423103	OOBMKEKNCAOVSU-ZFWWWQNUSA-N	316.467	2.157	70	20	DEID	
O=C(CSCCN1CCOCC1)N1CCCc2ccccc21	159834211	KXCUOTXSJBYIFC-UHFFFAOYSA-N	320.458	2.031	70	20	DEID	
C[C@@H](NC(=O)NC[C@]1(C)CCCS1)c1nnc2ccccn12	159460589	AKMIPZIGYHSBMD-ABAIWWIYSA-N	319.434	2.375	70	20	DEID	
COc1ccc(CNC(=O)CNC(=O)CC2CCCC2)cc1F	159905763	HCUPJWGFCOMYLY-UHFFFAOYSA-N	322.380	2.147	70	20	DEID	
O=S(=O)(F)CCN1CCN(C2CC2)c2ccc(Cl)cc21	883954649	VHCKGUQJWPDEBM-UHFFFAOYSA-N	318.801	2.428	70	20	DEID	
CC[C@@H]1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1516690344	STTBTILTMVSUTM-NXEZZACHSA-N	302.371	2.372	70	20	DEID	
Cc1ccncc1N(C)C(=O)c1cccc(S(=O)(=O)F)c1	1517955521	IFCRANZLCXUPGJ-UHFFFAOYSA-N	308.334	2.325	70	20	DEID	
CC(=O)CCc1ccc(OCC(=O)N[C@@H](CO)CC(C)C)cc1	161091386	RBTYAGXQWMXACR-MRXNPFEDSA-N	321.417	2.110	70	20	DEID	
CNC[C@@H]1CCCN1C(=O)c1cccc(OC[C@@H]2CCCO2)c1	161187690	OXVBTUKESIOBSX-RDJZCZTQSA-N	318.417	2.068	70	20	DEID	
CCC[C@H](NC(=O)/C=C/c1cnn(C)c1C)C(=O)OC(C)(C)C	161425184	KKFUEZVQZJEZRL-HBWSCVEGSA-N	321.421	2.368	70	20	DEID	
CCCCn1ncc(C(=O)Nc2cccc(C(N)=O)c2)c1C	160016370	WFUCIBLDVWCVRX-UHFFFAOYSA-N	300.362	2.343	70	20	DEID	
N[C@@H]1CCN(C(=O)CCC(=O)c2csc3ccccc23)C1	160293713	JXYBKROLHFFADA-LLVKDONJSA-N	302.399	2.424	70	20	DEID	
CN(CC1CCOCC1)C(=O)Nc1ccc(-n2ccnn2)cc1	160342253	KBOZFLFJFFJOSZ-UHFFFAOYSA-N	315.377	2.158	70	20	DEID	
CCC(CC)c1cc(C(=O)NCC2CCN(CCO)CC2)on1	160707356	GSMMYGBIAQAWKN-UHFFFAOYSA-N	323.437	2.012	70	20	DEID	
CC(C)CONC(=O)Nc1ccc(F)cc1CS(C)(=O)=O	160996183	PSPWJZWALRWCHW-UHFFFAOYSA-N	318.370	2.079	70	20	DEID	
O=C(CSCc1cc(-c2cccs2)on1)N1CCNCC1	159404848	FJNXMZGVJLXFKX-UHFFFAOYSA-N	323.443	2.068	70	20	DEID	
CCO[C@@H](CCNC(=O)c1ccc2[nH]c(=O)n(C)c2c1)C(C)C	159654299	LRBFRIBUCPVUKH-HNNXBMFYSA-N	319.405	2.048	70	20	DEID	
CCN1CCCN(C(=O)NC[C@@H](C)Oc2ccccc2F)CC1	159920755	CZHCFVKUTZDUDK-CQSZACIVSA-N	323.412	2.330	70	20	DEID	
COc1ccc(-c2cnc(CCC(=O)NCC(C)(C)N)o2)cc1	159924739	ISXCGTJNUBVGRH-UHFFFAOYSA-N	317.389	2.136	70	20	DEID	
COc1cccnc1N(C)S(=O)(=O)c1c(F)cccc1F	159534996	DLUHUBXDSZCYQH-UHFFFAOYSA-N	314.313	2.194	70	20	DEID	
O=C(CCOC[C@H]1CCCO1)NCCc1cc2ccccc2[nH]1	159544140	FWONWPCTWXIFQY-MRXNPFEDSA-N	316.401	2.412	70	20	DEID	
CCN1CCC[C@H]1CNC(=O)CCc1nnc(C2CCCC2)o1	159568992	WJNZNZJTFNREGE-AWEZNQCLSA-N	320.437	2.260	70	20	DEID	
O=C(c1cccc(S(=O)(=O)F)c1)N1CCC[C@@H](CF)C1	1338819076	GVVMGTBCZOOVCX-JTQLQIEISA-N	303.330	2.167	70	20	DEID	
COCCC1(CNC(=O)N2CC[C@H](C)[C@@H](n3ccnc3)C2)CC1	161021328	JYDBLSMEDNGKHM-GJZGRUSLSA-N	320.437	2.292	70	20	DEID	
Cn1cc(CC(=O)N2CC[C@@H](Oc3ccccc3Cl)C2)cn1	161405792	SMBUKLPBNMEWDD-CYBMUJFWSA-N	319.792	2.296	70	20	DEID	
COC(=O)CCc1nc(COc2ccc3[nH]ccc3c2)no1	160034049	RGXHXURCEDCRKD-UHFFFAOYSA-N	301.302	2.236	70	20	DEID	
COc1cccc2c1CC[C@H]2NC(=O)CCOC[C@H]1CCCO1	160098679	SUMOIIFXRVVBPG-CZUORRHYSA-N	319.401	2.384	70	20	DEID	
Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)oc1C	160245619	KGAWBJSZGUDFBJ-UHFFFAOYSA-N	322.386	2.399	70	20	DEID	
CCc1n[nH]c(=O)c(CNC(=O)N(C)[C@H](C)C2(C)CC2)c1CC	160432996	VJOYQCYWJACIGQ-LLVKDONJSA-N	320.437	2.225	70	20	DEID	
COc1ccc(C)nc1NC(=O)N1CCC(N2CC=CC2)CC1	160471881	FMWFCRCEJFFVKF-UHFFFAOYSA-N	316.405	2.267	70	20	DEID	
CCC[C@@](C)(NC(=O)c1cncc(OC(C)C)c1)C(=O)OC	160733958	VBXWYHWHSIEQBS-MRXNPFEDSA-N	308.378	2.330	70	20	DEID	
COc1ccc(-c2nnc(SCc3nnc(C)n3C)o2)cc1	160918668	BRWKZWANKRJJDH-UHFFFAOYSA-N	317.374	2.474	70	20	DEID	
C[C@]1(c2ccccc2)CN(C(=O)[C@@H](N)Cc2ccccc2)CCO1	159646540	OAYWAIQPXGCHLL-AZUAARDMSA-N	324.424	2.331	70	20	DEID	
CCO[C@H]1C[C@@H](NC(=O)N2CCCN(CC)CC2)C12CCC2	159907296	QUEBABFMOUDDHM-CABCVRRESA-N	309.454	2.071	70	20	DEID	
C[C@H]1CO[C@H](C)CN1C(=O)CCc1cc2ccccc2[nH]c1=O	159752725	DMTDRZLPDDFSGG-QWHCGFSZSA-N	314.385	2.097	70	20	DEID	
Cc1nnc(-c2ccc(C(=O)Nc3c[nH]c(=O)c(C)c3)cc2)o1	159379986	DXPLMXXYPICFMX-UHFFFAOYSA-N	310.313	2.294	70	20	DEID	
CCNc1ccc(Cl)cc1C(=O)NCC(=O)NC(C)(C)C	159975613	NNRQEJPBISWEFT-UHFFFAOYSA-N	311.813	2.416	70	20	DEID	
COCC[C@H](C)CNC(=O)c1ccc(S(=O)(=O)F)cc1C	1349718801	UWIMKQKESOVQCT-JTQLQIEISA-N	317.382	2.056	70	20	DEID	
CCCCN1CCCC[C@@H]1CNC(=O)NCC(O)(CC)CC	217037483	TYLJVXMEEJMDQQ-OAHLLOKOSA-N	313.486	2.491	70	20	DEID	
COc1cccc(C(=O)NCc2ccc3c(c2)OCO3)c1O	216783137	OYDWRNQUAVDLJS-UHFFFAOYSA-N	301.298	2.060	70	20	DEID	
COc1cccc(CNC(=O)c2cccc(S(=O)(=O)F)c2)c1	1339472899	VKTYXNBECWOSDM-UHFFFAOYSA-N	323.345	2.283	70	20	DEID	
CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@@H]1CCc2ccccc21	1346210176	ZXYGXBPBRZKJCH-CQSZACIVSA-N	322.361	2.432	70	20	DEID	
CCC(CC)(NS(=O)(=O)c1ccc2ccccc2c1)C(N)=O	161216719	ZXLOOZNGNDKFSZ-UHFFFAOYSA-N	320.414	2.162	70	20	DEID	
CCOC(=O)NCCC(=O)N1CCC[C@H]1c1ccc(COC)o1	161395674	HQONUGOYQVBYKK-ZDUSSCGKSA-N	324.377	2.226	70	20	DEID	
COc1ccc(NC(=O)[C@@H](C)Cc2c(C)nn(C)c2C)cc1N	161400897	JHTNNAPOVPIIFM-JTQLQIEISA-N	316.405	2.445	70	20	DEID	
O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)N[C@@H]1CCCC[C@H]1O	160271910	FAZAURKIGYNFDI-BZUAXINKSA-N	320.389	2.279	70	20	DEID	
CC[C@@H](C)c1cc(C(=O)NCCCCN2CCOCC2)on1	160681670	NUKZKNXQLURQIK-CYBMUJFWSA-N	309.410	2.030	70	20	DEID	
CN(C[C@H]1CCCCO1)C(=O)c1ccc(C(=O)NC2CC2)cc1	160783983	ZEDCRRJTNIMDOP-MRXNPFEDSA-N	316.401	2.220	70	20	DEID	
Cc1c(C(=O)N[C@H](C)C[C@@H]2CCCO2)cnn1C1CCOCC1	160836427	XDWWWRYRESPHKX-DOMZBBRYSA-N	321.421	2.230	70	20	DEID	
C[C@@H]1CCN(C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)C[C@@H]1O	160852119	KPLDJBDDNFGEES-SIXLDLHFSA-N	318.417	2.319	70	20	DEID	
CCNc1ccc(Cl)cc1C(=O)NCCNC(=O)C1CC1	160977225	PXHLFDQENVZPKW-UHFFFAOYSA-N	309.797	2.028	70	20	DEID	
CCCN(C)[C@H](C(N)=O)c1ccc(Br)cc1F	159779328	HESNQQLDXIKOGS-NSHDSACASA-N	303.175	2.456	70	20	DEID	
COc1cc(C(=O)N(CC(N)=O)CC(C)C)ccc1OC(C)C	159805803	YMOVEQDKZMXHMK-UHFFFAOYSA-N	322.405	2.066	70	20	DEID	
Cc1ccc([C@@H](O)CNS(=O)(=O)c2ccc(C)cc2F)cc1	159438541	VWUCWIGNBKOPNS-HNNXBMFYSA-N	323.389	2.454	70	20	DEID	
COc1cc(CCC(=O)N[C@H](C)c2nc[nH]n2)ccc1Cl	159835757	LXZUMBLWBCWIMG-SECBINFHSA-N	308.769	2.277	70	20	DEID	
CO[C@@](C)(C(=O)NC[C@H](O)c1ccsc1)c1ccccc1	159555417	HQPXQRHNUSLNQN-GOEBONIOSA-N	305.399	2.460	70	20	DEID	
CNC(=O)COc1cccc(CC(=O)N[C@@H](C)CCC(C)C)c1	159562444	JTVNKHVFKYYZCY-AWEZNQCLSA-N	320.433	2.295	70	20	DEID	
Cc1c(C(=O)NCc2nccn2C(F)F)cnn1CC(C)C	161042417	ROYRDXHDTXLPRQ-UHFFFAOYSA-N	311.336	2.369	70	20	DEID	
CC[C@](C)(O)CNS(=O)(=O)c1ccc(C(C)(C)C)s1	160294208	TWTSSWVLWBIMAR-ZDUSSCGKSA-N	305.465	2.485	70	20	DEID	
C[C@H](C(=O)NC1CC1)[S@](=O)c1ncc(C(C)(C)C)s1	160568384	SLNPVEMLJLYFHU-LILOVNGRSA-N	300.449	2.215	70	20	DEID	
COC[C@@H](O)CCNC(=O)Nc1ccc(OC(C)C)cc1F	160646164	UAXXJGDLMZCVMV-NSHDSACASA-N	314.357	2.132	70	20	DEID	
CC(C)[C@@H](CCO)NC(=O)c1cccc(OC[C@H]2CCCO2)c1	160655280	LCOILLWMNNYISW-IAGOWNOFSA-N	321.417	2.381	70	20	DEID	
C[C@@]1(CNC(=O)NCCc2cn3c(n2)CCCC3)CCCS1	160736152	IPFKUVNLMCPNJB-INIZCTEOSA-N	322.478	2.347	70	20	DEID	
CC[C@H](O)CCNC(=O)NCc1ccccc1CN(C)C(C)C	160947834	KMMPBMMBYNOQNU-KRWDZBQOSA-N	321.465	2.487	70	20	DEID	
C[C@@H](OC[C@H]1CCCO1)C(=O)NCCc1cc2ccccc2[nH]1	159605914	ATZCWMCDCCVGHV-CZUORRHYSA-N	316.401	2.411	70	20	DEID	
Cc1ccc(C)c(C(=O)CCC(=O)N(CC(N)=O)CC(C)C)c1	159805224	UPPHUWFBWBKNRP-UHFFFAOYSA-N	318.417	2.236	70	20	DEID	
C[C@@H]1CCC[C@@H](C(=O)Nc2cccc(NS(N)(=O)=O)c2)C1	159863079	NIXQODFBYXOCLV-GHMZBOCLSA-N	311.407	2.067	70	20	DEID	
CC[C@H](C(=O)N[C@@H]1CCc2nc(C)nn2C1)c1ccc(F)cc1	159672822	HIPAUJLKTATEQT-CABCVRRESA-N	316.380	2.350	70	20	DEID	
CCN1CCCN(C(=O)N[C@@H](C)Cc2ccccc2F)CC1	159732964	XGWPGFKHDVBNTF-AWEZNQCLSA-N	307.413	2.494	70	20	DEID	
Cc1cc(C)n(-c2ccc(C(=O)Nc3c[nH]c(=O)c(C)c3)cn2)n1	159746063	YOGCWYQFEIYJGM-UHFFFAOYSA-N	323.356	2.133	70	20	DEID	
COc1ccccc1C(=O)Nc1ccnn1-c1ccc(C)nn1	159579620	TUVNXOHNOFQBJI-UHFFFAOYSA-N	309.329	2.232	70	20	DEID	
O=C(NCCOc1ccccc1)N(CCO)Cc1ccccc1	217303624	OTKPJTDEFQRUCX-UHFFFAOYSA-N	314.385	2.270	70	20	DEID	
C[C@H](C1CC1)N(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CC1	1120866864	ZSNJHTYANLNNPN-MRVPVSSYSA-N	300.355	2.076	70	20	DEID	
C=CCSCCNC(=O)c1ccc(S(=O)(=O)F)cc1C	1262786346	CFKCHGQENIPDDW-UHFFFAOYSA-N	317.407	2.302	70	20	DEID	
CS[C@@H](C)CNC(=O)Nc1ccccc1CN1CCOCC1	161385537	MLVNLROYIGVDOX-ZDUSSCGKSA-N	323.462	2.392	70	20	DEID	
Cc1sc2nc(CN3CCOC(C)(C)C3)[nH]c(=O)c2c1C	161402432	OPXPEJHHQYESTR-UHFFFAOYSA-N	307.419	2.212	70	20	DEID	
NCCCNC(=O)c1ccccc1OCCOc1ccccc1	160092862	OZYKYHSSMDHSLO-UHFFFAOYSA-N	314.385	2.223	70	20	DEID	
CC(C)NC(=O)CN(C)C(=O)C1(Cc2ccccc2)CCC1	160110796	YQBANSGLTCAJOU-UHFFFAOYSA-N	302.418	2.382	70	20	DEID	
CC(C)OCCCN(C)[C@H](C)c1cccc(S(N)(=O)=O)c1	160351590	RDEOPOHSOZCWSC-CYBMUJFWSA-N	314.451	2.142	70	20	DEID	
Cc1nc2n(n1)C[C@H](N[C@@H](C)c1ccc(-n3ccnc3)cc1)CC2	160484681	OTNRUEDIBNVWFN-XJKSGUPXSA-N	322.416	2.438	70	20	DEID	
CC1CCC(N(C)C(=O)Cn2cnc(C(C)C)cc2=O)CC1	160648364	LUYFNJZMZUNRJQ-UHFFFAOYSA-N	305.422	2.404	70	20	DEID	
O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)[C@@H]1CCCNC1	160968510	FWXAJXPDKWOVGN-RNCFNFMXSA-N	317.216	2.143	70	20	DEID	
CCN1CCCN(C(=O)NCCCN(C)C2CCCCC2)CC1	159625976	WYKWWPGJJHXUIO-UHFFFAOYSA-N	324.513	2.378	70	20	DEID	
CC(C)(N)CNC(=O)/C=C/c1cc(Br)cs1	159946505	RMISYYIHJFPNSW-ONEGZZNKSA-N	303.225	2.377	70	20	DEID	
COc1cccnc1N(C)S(=O)(=O)c1cc(C)cc(F)c1	159561685	IRLAHGWCILQMLC-UHFFFAOYSA-N	310.350	2.363	70	20	DEID	
COC(=O)c1cc(CSCCN2CCOCC2)c(C)s1	159765657	URMADCSTFQDFTL-UHFFFAOYSA-N	315.460	2.409	70	20	DEID	
CNC(=O)Cc1ccc(NC(=O)N2CCS[C@H](C)[C@H]2C)cc1	159384516	WLGUMINISGOVHM-VXGBXAGGSA-N	321.446	2.333	70	20	DEID	
NC(=O)c1cccc(CN2CCO[C@@]3(CCc4ccccc43)C2)c1	159576371	XZMNGOGGYFJHGP-FQEVSTJZSA-N	322.408	2.459	70	20	DEID	
N#Cc1cccc(C(=O)Nc2cccc(S(=O)(=O)F)c2)c1	460092335	MEQLNFXMZALNQB-UHFFFAOYSA-N	304.302	2.469	70	20	DEID	
CCCN(CCO)Cc1ccc(OCc2noc(C)n2)cc1	161229718	VPTUFBJOLKZVMH-UHFFFAOYSA-N	305.378	2.161	70	20	DEID	
CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)NCCCN	160178995	JDWLVXLPRFDAQT-UHFFFAOYSA-N	300.406	2.248	70	20	DEID	
CC[C@@H](COC)NS(=O)(=O)c1ccccc1C(F)(F)F	160332181	SPKSBEUHCDSYQE-VIFPVBQESA-N	311.325	2.409	70	20	DEID	
CC(=O)N1CCC(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)CC1	160370120	ZDLBWICKECVTLZ-MRXNPFEDSA-N	322.449	2.243	70	20	DEID	
Cc1ccc(C)c(OCC(=O)NCC(=O)NC(C)(C)C)c1C	160543279	SKCMPIUIVBOGMN-UHFFFAOYSA-N	306.406	2.022	70	20	DEID	
O=C(Nc1cccn(CC(F)(F)F)c1=O)[C@@H]1C[C@@H]1C1CC1	159505984	ADSCGEOLJKORBP-NXEZZACHSA-N	300.280	2.395	70	20	DEID	
CCC[C@H]1CN(C(=O)NCCOc2cccc(F)c2)CCO1	159711678	UXDWOAMEPLWMHB-HNNXBMFYSA-N	310.369	2.415	70	20	DEID	
CCOC(=O)CCN(C(=O)C[C@@H](C)c1c(C)n[nH]c1C)C1CC1	159911996	VNBKMDQEYNXBJX-LLVKDONJSA-N	321.421	2.464	70	20	DEID	
Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)[C@@H]2CCNC2)cc1	159537409	WHAPQMRHUFQZLC-ZACQAIPSSA-N	302.418	2.188	70	20	DEID	
CCOc1ccc(Cl)cc1CCNC(=O)CN1CCCC1=O	159367031	LAMSEPSANOOEOT-UHFFFAOYSA-N	324.808	2.020	70	20	DEID	
C[C@H]1CN(C(=O)CCc2cc3ccccc3[nH]c2=O)[C@H](C)CO1	159752620	DMTDRZLPDDFSGG-OLZOCXBDSA-N	314.385	2.097	70	20	DEID	
NC(=O)C[C@H](NC(=O)CCCn1cccc1)C1CCCCC1	159794088	KKYCXVLYOKPAJL-HNNXBMFYSA-N	305.422	2.209	70	20	DEID	
C[C@@H]1CC[C@@H](CNC(=O)Cc2ccc(S(=O)(=O)F)cc2)C1	1340722471	MZRFNCAYGYWZEH-DGCLKSJQSA-N	313.394	2.440	70	20	DEID	
CCC(=O)N1CC[C@H](C(=O)N[C@@H](CC)c2c(C)noc2C)C1	160099999	LWONCTXPNNZFTQ-STQMWFEESA-N	307.394	2.117	70	20	DEID	
Cc1cc([C@H](C)NC(=O)C(=O)Nc2nocc2C)c(C)s1	160194541	ULKYGXYCHYYSEE-VIFPVBQESA-N	307.375	2.477	70	20	DEID	
Cc1cccc(OC[C@@H](C)NC(=O)N2CCC[C@@](C)(O)C2)c1	160833304	UVQFXISKTULDKH-RHSMWYFYSA-N	306.406	2.319	70	20	DEID	
CCC[C@@H](O)CNC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1	160885052	KDNSBKWXSJWMMO-OAGGEKHMSA-N	306.406	2.367	70	20	DEID	
CC(=O)N[C@@H]1CCCN(C(=O)c2cc(F)cc3cccnc23)C1	160921151	XZLNRWHKLDKYKZ-CQSZACIVSA-N	315.348	2.115	70	20	DEID	
CC(=O)N[C@H]1CCCN(C(=O)c2cc(F)cc3cccnc23)C1	160921280	XZLNRWHKLDKYKZ-AWEZNQCLSA-N	315.348	2.115	70	20	DEID	
CCN1CCC(NC(=O)Nc2cc(C(=O)OC)cs2)CC1	160982989	MKVAGQCBKRCAKY-UHFFFAOYSA-N	311.407	2.141	70	20	DEID	
CCc1cc(NC(=O)NC[C@](C)(O)c2cccs2)n(C)n1	159494726	VZJLPNOCKLWVJJ-AWEZNQCLSA-N	308.407	2.073	70	20	DEID	
O=S(=O)(NC[C@H](O)C1CCCCC1)C1Cc2ccccc2C1	159533183	MBCSWMPQBNVAKA-KRWDZBQOSA-N	323.458	2.014	70	20	DEID	
O=c1c2cccnc2ncn1Cc1noc(C2CCCCC2)n1	159542837	QBSLSIDKUOVFRS-UHFFFAOYSA-N	311.345	2.271	70	20	DEID	
O=C(NCCCO[C@@H]1CCOC1)c1cc(F)cc(Cl)c1O	159378923	VXAWZGSWWRJZNB-SNVBAGLBSA-N	317.744	2.110	70	20	DEID	
CC(=O)C[C@@H](C)NC(=O)C1(c2cccc(F)c2)CCOCC1	159966819	AUJCOMWLXFPJMM-GFCCVEGCSA-N	307.365	2.358	70	20	DEID	
CCS(=O)(=O)CC(=O)N1C[C@@H](C)CSc2ccccc21	159591924	PMNOIELULUIZIQ-LLVKDONJSA-N	313.444	2.196	70	20	DEID	
CSC[C@](C)(O)CNC(=O)c1ccc(-n2cccc2)cc1	217664238	DNAMRIYUJUDEPT-MRXNPFEDSA-N	304.415	2.321	70	20	DEID	
NC1(CC(=O)N2CC[C@H](COCc3ccccc3)C2)CCC1	161328904	CPTIETRMOCEUNW-INIZCTEOSA-N	302.418	2.323	70	20	DEID	
Cc1c(/C=C/C(=O)Nc2cccc(S(=O)(=O)F)c2)cnn1C	460095230	ROLQPHBMGUSHCJ-VOTSOKGWSA-N	323.349	2.039	70	20	DEID	
COCCC[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	857674396	IPUVJLXSSZRHGC-SECBINFHSA-N	321.345	2.485	70	20	DEID	
O=C(c1cccc(S(=O)(=O)F)c1)N1CCC(F)(F)CC1	1337491681	QCSKMTLKIRXCTG-UHFFFAOYSA-N	307.293	2.216	70	20	DEID	
Cc1cccc(C)c1NC(=O)C(=O)N[C@H](C)C1CCOCC1	161051031	NKPIQGOOUNKHRA-CYBMUJFWSA-N	304.390	2.173	70	20	DEID	
Cc1nc(C)c([C@H](C)N(C)C(=O)C(=O)Nc2nocc2C)s1	161107177	XPZNOIVNOYAGLE-VIFPVBQESA-N	322.390	2.214	70	20	DEID	
CCN1CC[C@@H](NCCCc2nnc3n2CCCCC3)[C@H](C)C1	161147646	YZFJSJNPOPKNDC-HZPDHXFCSA-N	319.497	2.257	70	20	DEID	
CC(C)C[C@H](N)C(=O)NCCc1ccn(-c2ccc(F)cc2)n1	161302501	ATIUBJAHWIFRSP-INIZCTEOSA-N	318.396	2.044	70	20	DEID	
Cc1ccn(-c2ccccc2NC(=O)COC[C@H]2CCOC2)n1	161337975	IOOGWGGVNGUFMX-AWEZNQCLSA-N	315.373	2.172	70	20	DEID	
CC[C@@H](C)[C@@H](C)NC(=O)C(=O)Nc1cc(C(=O)OC)cs1	161387676	AOAQKTGAVJBXKS-RKDXNWHRSA-N	312.391	2.024	70	20	DEID	
CCOCCCN1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1	160232468	WJNWKZIDMZBOER-OAHLLOKOSA-N	309.385	2.448	70	20	DEID	
CN(CC1CCOCC1)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2	160254373	QFKBMKHSADQCQX-XHSDSOJGSA-N	322.449	2.402	70	20	DEID	
COc1ccc(C[C@@H](C)CNC(=O)NC[C@@H]2CCOC2)cc1	160563200	GYDXGBUIGDRLAL-HIFRSBDPSA-N	306.406	2.210	70	20	DEID	
COc1ccc2c(c1)C[C@H](C(=O)N(C)Cc1cccn1C)CO2	160868591	UWJWGROKSRMMAB-AWEZNQCLSA-N	314.385	2.243	70	20	DEID	
COCCCNC(=O)[C@@H](C)N[C@H](C)c1cccc(F)c1F	159431366	AVUBXNTXDUODMH-GHMZBOCLSA-N	300.349	2.157	70	20	DEID	
CCC[C@H]1CN(C(=O)NCCc2cccc(OC)c2)CCO1	159836606	QEUWAJHEEQISRZ-INIZCTEOSA-N	306.406	2.448	70	20	DEID	
CCN(CCOc1ccc(Br)cc1)[C@H](C)C(N)=O	159654871	OBLMSMSHPDWBDK-SNVBAGLBSA-N	315.211	2.024	70	20	DEID	
CC[C@@H](O)CCNC(=O)CCCc1ccc(OC)cc1OC	159853947	KWTKOOUKESOXHS-CQSZACIVSA-N	309.406	2.304	70	20	DEID	
COC(=O)c1ccc(NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2N)cc1Cl	159463984	AVCIEOVBQJDEMZ-WBRVRECLSA-N	322.792	2.439	70	20	DEID	
COC(=O)CCCC(=O)Nc1ncc(C)cc1Br	159375312	ZOBMMTJAWUGYQL-UHFFFAOYSA-N	315.167	2.434	70	20	DEID	
CC(C)N1CC[C@@H](Nc2ccccc2O[C@H]2CCOC2)C1=O	159963176	RVYMWFMGHUNLJY-DZGCQCFKSA-N	304.390	2.276	70	20	DEID	
COc1ccc(S(=O)(=O)NC[C@@H](O)c2ccc(C)cc2)cc1	159397860	RJEWFNLMOJLIGA-MRXNPFEDSA-N	321.398	2.016	70	20	DEID	
C[C@@H]1C[C@@H](C(=O)Nc2cccc(S(=O)(=O)F)c2)CCO1	460093601	OIOYFUOSRQIHIQ-ZJUUUORDSA-N	301.339	2.098	70	20	DEID	
O=[N+]([O-])c1ccc(S[C@H]2CCOC2)c(CS(=O)(=O)F)c1	882255119	YLJRSSGJZHURJJ-JTQLQIEISA-N	321.351	2.275	70	20	DEID	
CC(C)(C)CCNC(=O)Cc1ccc(S(=O)(=O)F)cc1	1336765479	YRLHYFDDLXBJPE-UHFFFAOYSA-N	301.383	2.440	70	20	DEID	
Cc1cc(C)cc([C@H](C)NC(=O)C(=O)Nc2nocc2C)c1	161110233	AJXNEEQDURLJCY-LBPRGKRZSA-N	301.346	2.416	70	20	DEID	
C[C@@H](SCCN1CCOCC1)C(=O)N(C)Cc1ccccc1	160042634	RANVNOLEJHDJJV-OAHLLOKOSA-N	322.474	2.099	70	20	DEID	
C[C@H]1CN(C(=O)NCCn2ccnc2)C[C@H](c2ccsc2)O1	160188450	MTPCPIGTNXNZFD-GXTWGEPZSA-N	320.418	2.116	70	20	DEID	
O=C(NC[C@@H]1CCOC1)c1cncc(-c2ccc3c(c2)CCO3)c1	160271580	NNVALENEIHGMDT-ZDUSSCGKSA-N	324.380	2.450	70	20	DEID	
COc1ccc(/C=C/C(=O)N[C@@H](CCO)C(C)C)cc1OC	160498594	SMZCBHDCXNELDC-OWNNVSBGSA-N	307.390	2.240	70	20	DEID	
O=C1CCCC[C@H]1[C@@H]1COCCN1C(=O)c1ccnc(Cl)c1	160618354	RGAIGHIYWTYUAJ-STQMWFEESA-N	322.792	2.335	70	20	DEID	
NC(=O)[C@@H](NCCCOc1ccccc1)c1ccc(F)cc1	160714955	DUSQGVFIPFLHDC-INIZCTEOSA-N	302.349	2.411	70	20	DEID	
COc1ccccc1[C@H](NC(=O)NCCCO)c1ccco1	160828094	SCTPSHRXBWEFHK-HNNXBMFYSA-N	304.346	2.059	70	20	DEID	
Cc1noc([C@H]2COCCN2Cc2nc3ccc(F)cc3o2)n1	160864553	HXUSKYBCHYNLEX-GFCCVEGCSA-N	318.308	2.232	70	20	DEID	
CCOCCC1(CNC(=O)N[C@H]2CCC[C@@H](N(C)C)C2)CC1	160907563	BZPXMEMZXYFEHF-LSDHHAIUSA-N	311.470	2.365	70	20	DEID	
COc1ccc(CCCC(=O)NC[C@H](O)C(C)C)c(OC)c1	159408603	LEDOYERIIVWPLS-HNNXBMFYSA-N	309.406	2.160	70	20	DEID	
CCCCOc1ccc(C(=O)N(CC(N)=O)CC(C)C)cc1	159810463	IBGZVHIVTMRPOT-UHFFFAOYSA-N	306.406	2.449	70	20	DEID	
CCC(CC)N(CCOC)C(=O)c1cnc2c(c1)ncn2C	159705803	MIELWIWGYXBSHB-UHFFFAOYSA-N	304.394	2.246	70	20	DEID	
COCCC(C)(C)CNC(=O)Nc1ccnn1C[C@H]1CCOC1	159715709	HHZMTFXHVGSTPJ-CYBMUJFWSA-N	324.425	2.104	70	20	DEID	
CC(C)C[C@H]1CCCN1CCN1C(=O)NC2(CCCC2)C1=O	159938161	GJJMKSCNJJKKTM-CQSZACIVSA-N	307.438	2.362	70	20	DEID	
CC(=O)N1CC[C@H](NC(=O)COc2cc(C(C)C)ccc2C)C1	159769465	ONCNVOJZRWMDAY-INIZCTEOSA-N	318.417	2.234	70	20	DEID	
CN(CC1CCOCC1)C(=O)N[C@@H]1CCN(CC2CCCC2)C1	159570147	DIJGUNFIQLLGMM-QGZVFWFLSA-N	323.481	2.319	70	20	DEID	
CCC(CC)[C@@H](CNC(=O)c1cccc(F)n1)N1CCOCC1	159583357	CIOLCNIJQJZEPX-OAHLLOKOSA-N	323.412	2.088	70	20	DEID	
CC(C)(C)OC(=O)NC[C@@H](O)COc1ccc(F)c(F)c1	161296094	IUSARXMBALNNJP-SECBINFHSA-N	303.305	2.229	70	20	DEID	
CC[C@H](NC(=O)c1ccc(S(=O)(=O)F)cc1)[C@@H]1CCCO1	864242473	GTDUVEXQHHKXQK-STQMWFEESA-N	315.366	2.032	70	20	DEID	
CCN1CCCC[C@H]1CN[C@@H](C)c1cccc(-n2cnnn2)c1	161158618	NBOHEUKOFHEVPZ-YOEHRIQHSA-N	314.437	2.187	70	20	DEID	
CCc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C)[nH]n1	161508925	LDLYDUVMQODZNC-LLVKDONJSA-N	322.409	2.054	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)c1ccc(-c2nnc(C)o2)cc1	160112261	KMVMVTGOTLBEIS-JTQLQIEISA-N	317.345	2.117	70	20	DEID	
CCC(O)(CC)CNS(=O)(=O)c1cc(C)c(OC)c(C)c1	160219725	BCHLKBRTJKNKIA-UHFFFAOYSA-N	315.435	2.141	70	20	DEID	
CC[C@@H](C)[C@@H](C)NCC(=O)NC[C@@H](c1ccccc1)N(C)C	160454460	GSPUXTJQLNESNY-INMHGKMJSA-N	305.466	2.430	70	20	DEID	
COC[C@@H](NC(=O)Nc1ccc(O[C@H]2CCOC2)cc1)C1CC1	160470856	BMARHGUNDQKXGV-JKSUJKDBSA-N	320.389	2.401	70	20	DEID	
CC[C@H](C)OCC(=O)Nc1nnc(-c2ccccc2OC)[nH]1	160539960	GQCIMPQXHHKOTH-JTQLQIEISA-N	304.350	2.234	70	20	DEID	
CN(Cc1cnc2ccccn12)[C@H]1CCCC[C@@H]1S(C)(=O)=O	160593386	OFHGKGFFCYXDIF-GJZGRUSLSA-N	321.446	2.122	70	20	DEID	
O=C1CC[C@H]2CN(C(=O)Nc3ccccc3Cl)CC[C@@H]2N1	160703228	SZGJEWGVOJYWDD-JQWIXIFHSA-N	307.781	2.472	70	20	DEID	
CN(C[C@@H](O)C1CC1)[C@H](C(=O)N1CCCCC1)c1ccccc1	160787085	MLFZOAOVGUYVNS-MSOLQXFVSA-N	316.445	2.443	70	20	DEID	
CCCCN1CCc2ccc(NC(=O)CSCC(N)=O)cc21	160973069	YIOPZSRURIOULS-UHFFFAOYSA-N	321.446	2.006	70	20	DEID	
O=C(C[C@@H]1CCCN1)Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1	159424977	VAPJDNHOQRDLLQ-BHYGNILZSA-N	318.417	2.450	70	20	DEID	
CN(Cc1ccc(Cl)c(F)c1)C(=O)[C@]1(O)CCSC1	159563366	GNAKWEQQWWFKPF-ZDUSSCGKSA-N	303.786	2.306	70	20	DEID	
COc1cccc(OCCCNS(=O)(=O)c2ccccc2)c1	159579557	MXIASOWXHGHBMT-UHFFFAOYSA-N	321.398	2.443	70	20	DEID	
Cc1ccc(NC(=O)/C=C\[C@H]2CCOC2)cc1S(=O)(=O)F	857674499	YNOZNADUKGHYMB-MZBZXASESA-N	313.350	2.184	70	20	DEID	
CCN(Cc1ccccn1)C(=O)c1ccc(S(=O)(=O)F)cc1	864242658	PNUYXFBSLWYLMA-UHFFFAOYSA-N	322.361	2.402	70	20	DEID	
CCCN1CCN(CCS(=O)(=O)F)c2cc(F)ccc21	883954642	UZJAZRUPYPZTDN-UHFFFAOYSA-N	304.362	2.161	70	20	DEID	
CCC(CC)(CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)SC	1346354752	OXUBDLYOZASLGY-UHFFFAOYSA-N	322.427	2.325	70	20	DEID	
CC(C)CSCCCNC(=O)[C@@H](C)N1CCSCC1	160801486	UXHSEESRTBYJSK-CYBMUJFWSA-N	304.525	2.319	70	20	DEID	
CCOc1ccc(OC(=O)c2cc(S(=O)(=O)F)c[nH]2)cc1	1515237210	HAUWRIPPXZVUBU-UHFFFAOYSA-N	313.306	2.291	70	20	DEID	
CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)[C@H]1CCOC1=O	161228540	QWEIGUCCPVPPAJ-INIZCTEOSA-N	317.364	2.396	70	20	DEID	
COc1cccc2c1CC[C@@H]2NC(=O)[C@@H](C)OC[C@@H]1CCCO1	160163320	ZLTLBCZTONOHSL-WWGRRREGSA-N	319.401	2.383	70	20	DEID	
CN(C)C(=O)Nc1ccc(C(=O)Nc2ccn(C)n2)c(Cl)c1	160236394	XKTHOLNCSQMHOC-UHFFFAOYSA-N	321.768	2.419	70	20	DEID	
CCOc1cccc([C@H](C)NCC(=O)NCC(F)(F)F)c1	160566477	NIEKLQMIDUWENM-JTQLQIEISA-N	304.312	2.414	70	20	DEID	
CCCC1(CNC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)CC1	160755043	JFDNEUOMNOVDOA-AWEZNQCLSA-N	315.417	2.127	70	20	DEID	
CCCCNC(=O)CCN1CCO[C@]2(CCc3ccccc32)C1	159628164	CRKUHHRTXPLISZ-LJQANCHMSA-N	316.445	2.467	70	20	DEID	
CN(C)c1ccnc(C(=O)N[C@@H]2CCOC3(CCCC3)C2)c1	159460023	UPTDOROJIVJJCY-CYBMUJFWSA-N	303.406	2.369	70	20	DEID	
O=C(NCc1nc2ccccc2[nH]1)[C@@H]1OCCc2ccccc21	159713485	FDCQDTXGCYOCIK-QGZVFWFLSA-N	307.353	2.493	70	20	DEID	
C[C@H]1CC(=O)CC[C@H]1C(=O)NCc1ccnc(N2CCCC2)c1	159553584	VWYLEAGTJJYBFF-XJKSGUPXSA-N	315.417	2.303	70	20	DEID	
CC(C)NC(=O)c1ccc(C(=O)N2C[C@H](C)OC[C@@H]2C)cc1	159751857	VIGIBROHXWOASI-STQMWFEESA-N	304.390	2.074	70	20	DEID	
C[C@@H]1CCCCN1CCCCNC(=O)[C@@H](O)c1ccccc1	159593570	ZAIYVZJASJSJRY-WBVHZDCISA-N	304.434	2.491	70	20	DEID	
CC(C)(C)c1nccc(NCCC(=O)NCc2ccccn2)n1	161025177	JWKDURYVJQVDJY-UHFFFAOYSA-N	313.405	2.288	70	20	DEID	
CC[C@H](C(=O)NC[C@H]1CCCS1(=O)=O)c1ccc(F)cc1	161200691	OABYIKZTDAWYKY-KGLIPLIRSA-N	313.394	2.013	70	20	DEID	
CC[C@H](NCc1cccc(C(=O)NCCN(C)C)c1)C1CC1	161275573	LNXAKSAJZKNSHK-KRWDZBQOSA-N	303.450	2.256	70	20	DEID	
CC(C)(C)n1cc(NC(=O)N[C@H]2c3ccccc3C[C@@H]2O)cn1	161286056	KFHRWPFYWMBTCO-GJZGRUSLSA-N	314.389	2.418	70	20	DEID	
O=c1onc(-c2ncccn2)n1Cc1ccccc1C(F)(F)F	161330511	BKYOETSVFYTUNJ-UHFFFAOYSA-N	322.246	2.360	70	20	DEID	
Cc1ccc(-c2n[nH]c(NC(=O)CN3CCCCC3=O)c2C)o1	161460787	JRZRWOJBFZASMO-UHFFFAOYSA-N	316.361	2.238	70	20	DEID	
CCN(CC(C)C)C(=O)[C@@H](C)S(=O)(=O)c1ccc(F)cc1	160048482	QFJICDOHQHNDJI-GFCCVEGCSA-N	315.410	2.492	70	20	DEID	
Cc1ccc(S(=O)(=O)CCC(=O)NCC2(C3CC3)CC2)cc1	160233715	LUALSHCYVWCGEX-UHFFFAOYSA-N	321.442	2.465	70	20	DEID	
C[C@H](NCCN1CCC(N(C)C)CC1)c1ccc2c(c1)OCO2	160280667	NUTQMSJGUVXBGI-AWEZNQCLSA-N	319.449	2.092	70	20	DEID	
CCc1n[nH]c(=O)c(CNC(=O)NC2(CC)CCC2)c1CC	160302792	NBIIQLCGPYFAAC-UHFFFAOYSA-N	306.410	2.027	70	20	DEID	
Cc1conc1NC(=O)C(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1	160362125	SQSLTJGASZBPNJ-VIFPVBQESA-N	323.299	2.419	70	20	DEID	
CCCC(C)(C)NC(=O)NCc1c(CC)c(CC)n[nH]c1=O	160469482	PXDVURFIZNWRPB-UHFFFAOYSA-N	308.426	2.273	70	20	DEID	
CN(C)CCC1CCN(C(=O)N[C@H]2CCO[C@@H](C3CC3)C2)CC1	160543865	HRIXHTISQOQIPZ-DLBZAZTESA-N	323.481	2.317	70	20	DEID	
CCOc1cccc([C@@H](C)NC(=O)C(=O)Nc2nocc2C)c1	160829765	OKAVBWJGWQKEBB-LLVKDONJSA-N	317.345	2.198	70	20	DEID	
C[C@@H](C(=O)NCCCOC1CCOCC1)[C@H](N)c1ccccc1	160941332	WDAQBEJDJAYFJX-PBHICJAKSA-N	320.433	2.024	70	20	DEID	
CCOC(=O)CN(C(=O)c1ccc(N(C)C)cc1F)C1CC1	160956829	IBYSVSFZMAKUJC-UHFFFAOYSA-N	308.353	2.059	70	20	DEID	
O=C(NCCc1cscn1)N1CCC(Cn2cccn2)CC1	159412299	CCFBUQKDPCXMEL-UHFFFAOYSA-N	319.434	2.004	70	20	DEID	
COCCOc1cccc(CC(=O)NCC(C)(C)C[C@@H](C)O)c1	159693119	CSWQKTUONVJPEQ-CQSZACIVSA-N	323.433	2.168	70	20	DEID	
C[C@H](N[C@H](C)C(=O)Nc1ncccn1)c1cccc(F)c1F	159511442	RBZXNYMQMRBXJQ-VHSXEESVSA-N	306.316	2.433	70	20	DEID	
CCOCCC1(CNC(=O)[C@H]2CCCN(C(=O)CC)C2)CCC1	159533381	XTRZZNQIDBTSQS-HNNXBMFYSA-N	324.465	2.348	70	20	DEID	
CCOC(C)(C)CNS(=O)(=O)c1cccc(C(=O)CC)c1	159554304	ZGEMYVGRWCUOAL-UHFFFAOYSA-N	313.419	2.373	70	20	DEID	
CCc1cccc2c(CCNC(=O)[C@@H](N)CCSC)c[nH]c12	159373810	JKSBPRJPEVWDJP-HNNXBMFYSA-N	319.474	2.469	70	20	DEID	
Cc1cnn(-c2ccc(NC(=O)C[C@H]3CCCN3)cc2F)c1	159778863	RQWVTJOKQXPDMA-GFCCVEGCSA-N	302.353	2.400	70	20	DEID	
Cn1cccc(NC(=O)NCc2ccn(C3CCCC3)n2)c1=O	159971110	COXSDFNRYVWCTK-UHFFFAOYSA-N	315.377	2.019	70	20	DEID	
CC(C)[C@H](CCO)NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1	160728523	XJWXIOCIUVSJSU-MSOLQXFVSA-N	318.461	2.422	70	20	DEID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)[C@H]1COc2ccccc21	185104569	YLJVXLHOULSDND-ZDUSSCGKSA-N	321.329	2.460	70	20	DEID	
O=C([C@@H]1C[C@H]1c1ccc(Br)cc1)N1CCOCC1	217806209	PVYODCWWKWZHDP-QWHCGFSZSA-N	310.191	2.411	70	20	DEID	
CCN(Cc1occc1C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1338815032	KLDXVGUGQJRXFG-UHFFFAOYSA-N	314.338	2.237	70	20	DEID	
C=CCC[C@H]1CCCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1	1347756073	WXBXVEJPBMJRDV-JTQLQIEISA-N	300.355	2.244	70	20	DEID	
CC(C)[C@@H](C#N)NC(=O)c1cc(S(=O)(=O)F)ccc1Cl	1354908251	BARSMBCWHJHCJY-LLVKDONJSA-N	318.757	2.276	70	20	DEID	
Cc1ccccc1[C@H](C)NC(=O)N1CCC(N(C)CCO)CC1	161103340	HFWYEPSOEGRBPQ-HNNXBMFYSA-N	319.449	2.154	70	20	DEID	
CN(C)C(=O)Cc1ccc(NC(=O)N(C)[C@H]2CCSC2)cc1	161121728	KNWPQKHPZWXCGM-AWEZNQCLSA-N	321.446	2.287	70	20	DEID	
CC[C@H](C)OCC(=O)NCc1ccc(-n2ccnc2)c(F)c1	161152902	HCWCBDYGVXRMQD-LBPRGKRZSA-N	305.353	2.443	70	20	DEID	
CN(CCCNC(=O)NO[C@@H]1CCCCO1)Cc1ccccc1	161477870	VEUZXKPQHZXBCL-MRXNPFEDSA-N	321.421	2.266	70	20	DEID	
CCCCO[C@@H](C)C(=O)N(C)CC(C)(C)CN1CCOCC1	160140455	UMYBZSHPXWNQRU-HNNXBMFYSA-N	314.470	2.008	70	20	DEID	
CCN1C[C@H](C(=O)O[C@H](c2ccccn2)C(F)(F)F)CC1=O	160227932	RPWQRAKNXJAGCQ-BXKDBHETSA-N	316.279	2.097	70	20	DEID	
Cc1ccc(C(=O)N2CCN(C(=O)[C@@H]3CC3(C)C)CC2)s1	160255128	JEESZRLLJRQHFN-LBPRGKRZSA-N	306.431	2.387	70	20	DEID	
CC[C@H](NC(=O)[C@@H]1CCc2cn[nH]c2C1)c1c(C)noc1C	160613357	BKAVOQRHTFUEJT-YPMHNXCESA-N	302.378	2.387	70	20	DEID	
Cn1ccc(C(=O)NCCc2csc(C(C)(C)C)n2)cc1=O	160723622	LRCHRINZAJLICF-UHFFFAOYSA-N	319.430	2.112	70	20	DEID	
CC(C)NC1CCN(C(=O)N[C@H]2CCN(C3CCCC3)C2)CC1	160913421	UILFQGDWCKARAP-INIZCTEOSA-N	322.497	2.175	70	20	DEID	
CCn1cnnc1[C@@H]1CCCN(Cc2cnc3ccccn23)C1	159440947	GZUGKIKAFBSIIV-CQSZACIVSA-N	310.405	2.325	70	20	DEID	
COc1cccc2c1CC[C@@H]2NC(=O)[C@@H]1CCCN(C(C)=O)C1	159996815	HUDTVDZUFISBJP-CJNGLKHVSA-N	316.401	2.057	70	20	DEID	
C[C@H]1CCC[C@H](N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1337667621	VVPCDPGXTWOHMC-UWVGGRQHSA-N	302.371	2.324	70	20	DEID	
O=C(O)c1ccc(NC(=O)c2cccc(S(=O)(=O)F)c2)cc1	1608902878	NHRHFYBCYJRRQG-UHFFFAOYSA-N	323.301	2.295	70	20	DEID	
COc1ccccc1N1CC[C@H](NC(=O)C=C2CCC2)C1=O	161298369	AXHKUOQASJIELD-ZDUSSCGKSA-N	300.358	2.027	70	20	DEID	
COCCCOc1cccc(CNC(=O)C(C)(C)COC)c1	161318927	VJNWRLMQNHIQFC-UHFFFAOYSA-N	309.406	2.391	70	20	DEID	
CS[C@H](C)C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1	161385550	KFADDSOAPYVKBT-MNOVXSKESA-N	302.440	2.254	70	20	DEID	
COC(=O)NCCCC(=O)N(C)c1ccc(OC)c(Cl)c1	160076922	HFAJKZPSWRSZIR-UHFFFAOYSA-N	314.769	2.448	70	20	DEID	
Cc1cc(F)ccc1N1CCC[C@H](NC(=O)N[C@@H](C)CCO)C1	160266915	INSJUVBZFMPMLZ-ZFWWWQNUSA-N	323.412	2.173	70	20	DEID	
Cc1c(CS(C)(=O)=O)cccc1NC(=O)NOCC(C)C	160367625	LZMICWOOPANFJR-UHFFFAOYSA-N	314.407	2.249	70	20	DEID	
Cc1ccc([C@H](C)N(C)C(=O)C(=O)Nc2nocc2C)cc1	160394913	KBMZXGJBEFULGN-LBPRGKRZSA-N	301.346	2.450	70	20	DEID	
CCCC(=O)NC[C@@H]1CCCN(C(=O)c2ccnn2C(C)C)C1	160421409	MRIZUTSWUMGUJM-AWEZNQCLSA-N	320.437	2.233	70	20	DEID	
Cc1cccc([C@H](C)NC2CCN(CC(=O)N(C)C)CC2)c1	160440769	DEIZDKMERXQSJR-HNNXBMFYSA-N	303.450	2.198	70	20	DEID	
Cc1n[nH]c(NS(=O)(=O)c2cnn(-c3ccccc3)c2)c1C	160474683	ZTOQVDUUUZOHBX-UHFFFAOYSA-N	317.374	2.013	70	20	DEID	
C[C@H](NC(=O)Nc1ccc(-c2ncn(C)n2)cc1)[C@@H]1CCOC1	160638379	NFEUCVVBXYLSKU-WCQYABFASA-N	315.377	2.029	70	20	DEID	
Cc1c(CS(C)(=O)=O)cccc1NC(=O)NC1CC=CC1	160764035	JPHKNWRCPPRGRV-UHFFFAOYSA-N	308.403	2.380	70	20	DEID	
Cc1ccc(C(=O)N2CCC(N3CCCCC3=O)CC2)c(O)c1	159457536	BSLSFKDUZIXKDL-UHFFFAOYSA-N	316.401	2.318	70	20	DEID	
C[C@H](NC(=O)N1CCC[C@](C)(O)C1)c1nc2ccccc2[nH]1	159912338	XZZLBPXCXSEIGB-ZBEGNZNMSA-N	302.378	2.180	70	20	DEID	
COc1cccnc1N(C)S(=O)(=O)c1ccc2c(c1)CCC2	159538430	ICJRSYUAHOQYQH-UHFFFAOYSA-N	318.398	2.404	70	20	DEID	
CCNc1nc(C(=O)NC[C@@H]2CCN(CC(C)C)C2)cs1	159565913	VMMGRQCSTXFVJL-LBPRGKRZSA-N	310.467	2.283	70	20	DEID	
CC[C@@H](C)OCC(=O)Nc1ccccc1CN1CCOCC1	159763881	AZNOKZXZCFDZPB-CQSZACIVSA-N	306.406	2.272	70	20	DEID	
Cc1cccc([C@H](C)C(=O)NCCCCN2CCN(C)CC2)c1	159780875	VRQGGHFGBHZOOV-KRWDZBQOSA-N	317.477	2.242	70	20	DEID	
Cc1cc(C(=O)Nc2cccc(S(=O)(=O)F)c2)ns1	460090663	HZGVVUZCXLKOBC-UHFFFAOYSA-N	300.336	2.362	70	20	DEID	
CC[C@](C)(OC)C(=O)Nc1ccc(F)c(CS(=O)(=O)F)c1	876318266	AIPCCIGFCCJSQK-ZDUSSCGKSA-N	321.345	2.379	70	20	DEID	
CS[C@@H]1CC[C@@H](N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1123621384	XKPQZECMEDCBCW-RKDXNWHRSA-N	320.411	2.029	70	20	DEID	
O=[N+]([O-])c1ccc(N2CCC[C@H]3C[C@@H]32)c(CS(=O)(=O)F)c1	882349964	CVUQVBCHFJZERB-ZANVPECISA-N	314.338	2.383	70	20	DEID	
C#C[C@H](NC(=O)c1cc(S(=O)(=O)F)ccc1Cl)C(C)C	1262797328	JHWLTUMIPMQVEQ-LBPRGKRZSA-N	317.769	2.386	70	20	DEID	
C[C@@H]1C[C@@H](NCCCc2nnc3n2CCCCC3)CCN1C	161134233	RBIKPGZQYBWKDB-CABCVRRESA-N	305.470	2.009	70	20	DEID	
Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@H]1CCCCCC[C@@H]1N	161186418	NEPUEWFVPXGGMU-NUTKFTJISA-N	320.481	2.382	70	20	DEID	
CCc1ncc(NC(=O)NCCc2ccccc2OC)cn1	161188466	ZUYTZBFIVBWCEQ-UHFFFAOYSA-N	300.362	2.412	70	20	DEID	
CS[C@@H](C)C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1	161385421	KFADDSOAPYVKBT-QWRGUYRKSA-N	302.440	2.254	70	20	DEID	
COC(=O)Nc1cccc(NC(=O)[C@@H]2CCn3ccnc3C2)c1	160119589	DPMVVABJIOZOIQ-LLVKDONJSA-N	314.345	2.263	70	20	DEID	
CN(CCC1CCCCC1)C(=O)NC[C@@H]1CCCS1(=O)=O	160176805	ONNGPRHXBDGQOI-AWEZNQCLSA-N	316.467	2.175	70	20	DEID	
CCCN(CCc1ccccn1)C(=O)c1cnc2c(c1)ncn2C	160273713	UZNLSXACHQLJFS-UHFFFAOYSA-N	323.400	2.458	70	20	DEID	
O=C(CNC(=O)c1ccco1)N[C@@H]1CCOC2(CCCCC2)C1	160281711	OEUREAPRXUHILY-CYBMUJFWSA-N	320.389	2.008	70	20	DEID	
C[C@H](Oc1cccc(Br)c1)C(=O)N(C)[C@@H](C)CO	160554725	HZKWEMAHHZMDOT-UWVGGRQHSA-N	316.195	2.056	70	20	DEID	
C[C@H](N[C@@H]1CCN(C2CCOCC2)C1=O)c1cccc(F)c1F	159486746	PCDNAYSUMWYVQZ-XHDPSFHLSA-N	324.371	2.395	70	20	DEID	
O=C(Cn1ncc2ccccc21)N1CCC(NCC2CC2)CC1	159745516	UPHROVSIQQACGZ-UHFFFAOYSA-N	312.417	2.027	70	20	DEID	
C[C@@H](NC(=O)N1CCc2cccc(F)c2C1)c1cnn(C)c1	159371738	ZLRNAJQCOWTCHY-LLVKDONJSA-N	302.353	2.388	70	20	DEID	
CCc1n[nH]c(NC(=O)CO[C@@H](C)CC)c1Br	159792393	DRNDECJWUINTJI-ZETCQYMHSA-N	304.188	2.488	70	20	DEID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N[C@H]1CCS[C@@H]1C	1340768238	CWUYITQGBBZEGH-SKDRFNHKSA-N	317.407	2.277	70	20	DEID	
CSc1ccc(C(=O)NCCc2cccc(C(N)=O)c2)o1	217158590	OHRRJQRCCFXKEZ-UHFFFAOYSA-N	304.371	2.073	70	20	DEID	
CSC1(C(=O)Nc2ccc(S(=O)(=O)F)c(F)c2)CC1	857674428	JJIMZPFOFILJQS-UHFFFAOYSA-N	307.343	2.318	70	20	DEID	
CCCC[C@H](COC)NC(=O)c1ccc(S(=O)(=O)F)cc1	865207470	JVHFKDNWHIPNTH-GFCCVEGCSA-N	317.382	2.280	70	20	DEID	
CC(C)Oc1cncc(C(=O)NC2CCN(C3CC3)CC2)c1	161231448	JZPJOVGSTZUUHI-UHFFFAOYSA-N	303.406	2.225	70	20	DEID	
CCOCCO[C@H]1CCN(C(=O)C[C@@H](C)c2c(C)noc2C)C1	161261863	AMIDSOMLCZJPNA-DOMZBBRYSA-N	324.421	2.439	70	20	DEID	
Cc1ccc(-n2nnnc2SCc2ccnn2C)cc1C	161274500	YNTCFNVNDMGTBH-UHFFFAOYSA-N	300.391	2.305	70	20	DEID	
Cc1nc(C)n(C[C@@H]2CCCN(Cc3cnc4ccccn34)C2)n1	160084118	YTAMOIRMEMKEEO-MRXNPFEDSA-N	324.432	2.455	70	20	DEID	
Cc1conc1NC(=O)C(=O)NCC1(c2ccccc2)CCC1	160112151	NVSZORUDZCQERN-UHFFFAOYSA-N	313.357	2.160	70	20	DEID	
Cc1cccc([C@@H](NC(=O)[C@@H]2CCNC(=O)C2)c2ccccn2)c1	160116034	HNKAWTCPIYTHII-CRAIPNDOSA-N	323.396	2.122	70	20	DEID	
C[C@@]1(NC(=O)Nc2cc3c(cc2Cl)OCCO3)CCOC1	160167128	HSMWFOIIKABCFO-CQSZACIVSA-N	312.753	2.412	70	20	DEID	
Cc1cc(C(=O)N2CSC[C@H]2C(=O)NC(C)(C)C)oc1C	160204478	CVSDFXNONIRCGE-NSHDSACASA-N	310.419	2.326	70	20	DEID	
Cc1ccc2c(c1)[C@H](NC(=O)NCc1ncccc1F)CO2	160534425	SWHZPKGNIJWAHC-CQSZACIVSA-N	301.321	2.462	70	20	DEID	
CCc1sc(C(=O)NCC2CCN(CCO)CC2)cc1C	160595272	ABHKQGINIJVNRT-UHFFFAOYSA-N	310.463	2.053	70	20	DEID	
CN[C@@H]1CCN(C(=O)c2cccc(-c3noc(C4CC4)n3)c2)C1	160634791	FKRCPAYNZWNMLE-CQSZACIVSA-N	312.373	2.048	70	20	DEID	
O=C(CN(Cc1ccco1)c1cccc(Cl)c1)NCCO	159451638	NRLHEOBPJGUXRB-UHFFFAOYSA-N	308.765	2.048	70	20	DEID	
C[C@@H](CC(=O)N1CCC[C@H](CCC(N)=O)C1)c1ccncc1	159860627	XPRIJQMIRJSVNH-UONOGXRCSA-N	303.406	2.079	70	20	DEID	
CC(C)(C)OC(=O)N1CCN(C(=O)NCC2CCCC2)CC1	217579924	BAVHWUQPRMLNFD-UHFFFAOYSA-N	311.426	2.439	70	20	DEID	
Cc1nc(COC(=O)c2cc(S(=O)(=O)F)c[nH]2)c(C)s1	1121089875	HRXDRRPUSJFRMA-UHFFFAOYSA-N	318.351	2.103	70	20	DEID	
C#CCCCNc1ccc([N+](=O)[O-])cc1CS(=O)(=O)F	882030286	MJPDVOLETMOHOR-UHFFFAOYSA-N	300.311	2.219	70	20	DEID	
C[C@H](NC(=O)CCc1ccc(F)cc1F)C(=O)NC(C)(C)C	161098945	SHYVOGGMWOHATM-JTQLQIEISA-N	312.360	2.317	70	20	DEID	
COC(=O)[C@H](NC(=O)c1ccc(C(F)(F)F)cn1)C(C)C	161099893	NHLWEIVJAMWZSM-SNVBAGLBSA-N	304.268	2.028	70	20	DEID	
O=C1C[C@H](CC(=O)N(Cc2ccccc2)C[C@H]2CCCO2)CO1	161179783	WGQDRWJGRBOBEA-JKSUJKDBSA-N	317.385	2.147	70	20	DEID	
COCCC(=O)NCc1ccc(COC2CCOCC2)cc1	161452721	WWCPTEMOLAFGNX-UHFFFAOYSA-N	307.390	2.035	70	20	DEID	
COc1cccc2c1CC[C@@H]2NC(=O)[C@H](C)NC(=O)C(C)(C)C	160058289	QMKSXHKDWRKIPT-FZMZJTMJSA-N	318.417	2.350	70	20	DEID	
Cc1cc(C(=O)NC[C@H](O)CN2CCCCC2)c(C)n1C1CC1	160643689	YAYYHTBEBYZXAD-INIZCTEOSA-N	319.449	2.016	70	20	DEID	
CN(CCc1ccccc1)C(=O)CNC(=O)CC1CCCC1	159846727	ZXXYRWFJDSOCAJ-UHFFFAOYSA-N	302.418	2.384	70	20	DEID	
CCN(C(=O)CS(=O)(=O)C(C)(C)C)c1cccc(F)c1	159885402	OHDZUFBIQQSJDZ-UHFFFAOYSA-N	301.383	2.392	70	20	DEID	
CCC(=O)N1CCCN(C(=O)CCc2ccc(F)cc2F)CC1	159922366	ATKRXAQWSGNFDO-UHFFFAOYSA-N	324.371	2.368	70	20	DEID	
CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NCCc2cccnc2)C1	159563293	GDTSNFSPWOMXTN-GDBMZVCRSA-N	317.433	2.025	70	20	DEID	
CC1(NC(=O)NCc2cccc(CN3CCOCC3)c2)CCC1	159589856	AEJCPHIPXQSTLB-UHFFFAOYSA-N	317.433	2.261	70	20	DEID	
CC(C)OCCNc1ccc([N+](=O)[O-])cc1CS(=O)(=O)F	882184514	MLXDOCIEFBFIFT-UHFFFAOYSA-N	320.342	2.231	70	20	DEID	
O=C(N[C@H]1CCC[C@H](F)C1)c1ccc(S(=O)(=O)F)cc1	1337635320	FNRAUBNDTOTCJG-QWRGUYRKSA-N	303.330	2.355	70	20	DEID	
CC1(C)CN(c2ccc(S(=O)(=O)F)cn2)[C@H]1[C@@H]1CCCO1	1550621662	VQQUMJFWASLLIV-AAEUAGOBSA-N	314.382	2.134	70	20	DEID	
Cc1noc([C@H]2COCCN2CCc2cccc(F)c2F)n1	161078489	ZVNNUTQRMPMLQJ-CYBMUJFWSA-N	309.316	2.272	70	20	DEID	
CCN(Cc1cnn(C)c1)C[C@H](O)COc1cc(C)ccc1C	161135487	YWQDYECRTYKTLC-KRWDZBQOSA-N	317.433	2.299	70	20	DEID	
O=C(N[C@H]1CCC[C@@H]1O)C1(c2ccccc2Cl)CCOCC1	161210296	JVKRPRUXHFIPOH-GJZGRUSLSA-N	323.820	2.418	70	20	DEID	
Cc1noc(NC(=O)c2ccc(CNC(=O)C(C)(C)C)cc2)n1	161251102	QHOZVJOQMQRAIE-UHFFFAOYSA-N	316.361	2.293	70	20	DEID	
CC(=O)NC1CCC(NC[C@@H](C)N2CCc3ccccc32)CC1	161391077	MJHFSKGZWDCWSS-RWBZWWBESA-N	315.461	2.475	70	20	DEID	
COC[C@H](O)CCNC(=O)Nc1ccc(COC(C)C)cc1	160197533	CWRIWAYWRIWWTJ-OAHLLOKOSA-N	310.394	2.131	70	20	DEID	
CCCCn1ncc(NC(=O)N[C@H](C)CO[C@H]2CCOC2)c1C	160272158	LSNWHAYPOFIIAF-OCCSQVGLSA-N	324.425	2.307	70	20	DEID	
CC(C)C(=O)NC[C@H]1CCCN(C(=O)c2ccnn2C(C)C)C1	160411326	DZZQIYAFSPWDOX-CQSZACIVSA-N	320.437	2.088	70	20	DEID	
O=C1CCCC[C@@H]1[C@@H]1COCCN1C(=O)c1cc(Cl)c[nH]1	160412821	MOZHGBRMJLCLOH-YPMHNXCESA-N	310.781	2.268	70	20	DEID	
Cc1csc(=O)n1CCC(=O)N(C)c1ccc2c(c1)OCO2	160494847	SGYPDPRWZRUHBP-UHFFFAOYSA-N	320.370	2.000	70	20	DEID	
Cc1cccc(C)c1OCCNC(=O)N1CCC[C@](C)(O)C1	160576133	JYWFONXLIWMNFL-KRWDZBQOSA-N	306.406	2.239	70	20	DEID	
CCN1CCN(C(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)CC1	160926775	LHWWWKOPXCFVQD-DLBZAZTESA-N	317.433	2.254	70	20	DEID	
CC(C)CNC(=O)[C@H](C)N1CCO[C@]2(CCc3ccccc32)C1	159663892	GPALLVHADADFGO-HNAYVOBHSA-N	316.445	2.321	70	20	DEID	
COC1(C(=O)N2C[C@@H](c3ccccc3C)C[C@@H]2C)CCNCC1	159894169	PFFWSHTVMQZHTD-HOTGVXAUSA-N	316.445	2.468	70	20	DEID	
COc1cc2c(c(CN3C[C@H](C(N)=O)CC[C@H]3C)c1)O[C@H](C)C2	159515742	GTSYRTOTAZUTQS-JHJVBQTASA-N	318.417	2.104	70	20	DEID	
COc1ccc(CN(C)S(=O)(=O)c2ccccc2)cc1O	159779052	DNWBDDCSXQXIAU-UHFFFAOYSA-N	307.371	2.222	70	20	DEID	
Cc1cc(F)c(S(=O)(=O)N(C)[C@H]2CCSC2)cc1F	159396622	CKTHWMRAJFBNJF-VIFPVBQESA-N	307.387	2.399	70	20	DEID	
CCCN(Cc1cnc(C2CC2)s1)[C@H]1CCS(=O)(=O)C1	161113730	VGMFNESVWRMFLK-LBPRGKRZSA-N	314.476	2.420	70	20	DEID	
O=C(CC1CCOCC1)Nc1ccc(S(=O)(=O)F)cc1	122973580	NCONPQBWMAFCCF-UHFFFAOYSA-N	301.339	2.100	70	20	DEID	
CSC[C@@](C)(O)CNC(=O)Cc1cccc(C(F)(F)F)c1	217715952	VQTUMYKLNVMWMX-ZDUSSCGKSA-N	321.364	2.478	70	20	DEID	
O=C(Nc1cccc(Cl)c1O)c1cc(S(=O)(=O)F)c[nH]1	1346642025	QRJQJUCAYKPIBV-UHFFFAOYSA-N	318.713	2.284	70	20	DEID	
C[C@H]1C[C@H](NCCCc2nnc3n2CCCCC3)CCN1C	161134136	RBIKPGZQYBWKDB-LSDHHAIUSA-N	305.470	2.009	70	20	DEID	
COC(=O)c1cccc(NC(=O)NCc2ncccc2F)c1	160017601	SCYMZVJDVVUAHR-UHFFFAOYSA-N	303.293	2.329	70	20	DEID	
NC[C@H]1CCCN1C(=O)c1csc(Cc2ccc(F)cc2)n1	160257695	SHUHDFVJJLQRDV-CYBMUJFWSA-N	319.405	2.436	70	20	DEID	
CN(C)C(=O)C(=O)Nc1ccc(Sc2ccncc2)cc1	160636805	SGMMSFPIOKAZES-UHFFFAOYSA-N	301.371	2.260	70	20	DEID	
CCN(CC(=O)Nc1cccc(OC)c1)Cc1ccc(CO)o1	160648706	KFCFFQLDLLFBGU-UHFFFAOYSA-N	318.373	2.241	70	20	DEID	
CNC(=O)CCCN(C)C(=O)Nc1ccc(N(C)C)c(C)c1	160679052	UICPBNJWDPMHIK-UHFFFAOYSA-N	306.410	2.051	70	20	DEID	
N[C@H]1CCC[C@H](NC(=O)CCc2nc(-c3cccs3)no2)C1	160898785	HCHWDCKBKPXSOV-QWRGUYRKSA-N	320.418	2.117	70	20	DEID	
CC(C)c1nccn1CCC(=O)N[C@H]1c2ccccc2C[C@@H]1O	159892872	SILGJOPDMBYHLL-RDJZCZTQSA-N	313.401	2.171	70	20	DEID	
CCCCn1ncc(NC(=O)N[C@@H](C)[C@@H](CO)SC)c1C	159949828	WTAJIZPSWMZTLI-GXFFZTMASA-N	314.455	2.226	70	20	DEID	
COc1ccc(C)cc1CCNC(=O)N[C@@H]1CCC[C@H]1OC	159365001	FEBIFIMPCRYJTH-GDBMZVCRSA-N	306.406	2.413	70	20	DEID	
CCC[C@H]1C(=O)NCCN1C(=O)Nc1cccc(OCC)c1	159561555	ZNMDBHKFZUCDDH-AWEZNQCLSA-N	305.378	2.218	70	20	DEID	
Cn1nc(C(=O)Nc2cccc(S(=O)(=O)F)c2)cc1C1CC1	460094948	QTBIQOMQIKIQAA-UHFFFAOYSA-N	323.349	2.208	70	20	DEID	
CN(C[C@@H]1CC=CCC1)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1337519557	BMKOQKSACUPEQG-SNVBAGLBSA-N	300.355	2.101	70	20	DEID	
CC(F)(F)C(C)(C)NC(=O)Cc1ccc(S(=O)(=O)F)cc1	1349740147	CINAJVROZXYFOT-UHFFFAOYSA-N	323.336	2.437	70	20	DEID	
COc1cccc([C@H]2CCCN2C(=O)C[C@@H]2COC(=O)C2)c1	161102980	CITIPBWSNWVMFJ-SWLSCSKDSA-N	303.358	2.312	70	20	DEID	
CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)C2(CCOC)CC2)C1	161133958	ABFIBTAIBYASOL-CABCVRRESA-N	324.465	2.347	70	20	DEID	
CC(C)CCn1ccc(NC(=O)N2CCN(C(C)C)CC2)n1	161227329	PRPUPWOABYVGHD-UHFFFAOYSA-N	307.442	2.487	70	20	DEID	
O=C(N[C@H]1CCSc2c(F)cccc21)c1cc[nH]c(=O)c1	160195128	XPIOZZZNAOYQIJ-LBPRGKRZSA-N	304.346	2.481	70	20	DEID	
O=C1C[C@@H](C(=O)N[C@H]2CCSc3c(F)cccc32)CCN1	160196811	BPWIVBQGBFTHJP-CABZTGNLSA-N	308.378	2.005	70	20	DEID	
CC(C)(C)c1nsc(N2CCC[C@@H]2CN2CCOCC2)n1	160407592	ORZZDATUSRIQEH-GFCCVEGCSA-N	310.467	2.137	70	20	DEID	
CC(C)(C)S(=O)(=O)CC(=O)Nc1ccc2ncsc2c1	160477320	WDVRTFOZHYBMPZ-UHFFFAOYSA-N	312.416	2.448	70	20	DEID	
COc1ccc(S(=O)(=O)Nc2nnc(C(F)F)s2)cc1	160482503	KDZKAYSKMBZGGS-UHFFFAOYSA-N	321.330	2.285	70	20	DEID	
CCC(CC)(CCO)CNC(=O)N[C@H]1CCO[C@H](C2CC2)C1	160499478	BLXKCTSYBBVDFA-GJZGRUSLSA-N	312.454	2.432	70	20	DEID	
CS[C@@H](C)CNC(=O)Nc1ccc(CC(=O)N(C)C)cc1	160550228	SMLQQEBPPADKFB-NSHDSACASA-N	309.435	2.190	70	20	DEID	
C[C@@H]1Cc2ccccc2N1CCNC(=O)[C@@H]1CCn2ccnc2C1	160757467	JAVJDPZEFUSIHE-GDBMZVCRSA-N	324.428	2.013	70	20	DEID	
O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)[C@H]1CCCNC1	160968762	FWXAJXPDKWOVGN-ZANVPECISA-N	317.216	2.143	70	20	DEID	
Cc1ccc(-n2nnnc2SCc2nnc(C)n2C)cc1C	160995609	YIECBWGVQPPORD-UHFFFAOYSA-N	315.406	2.008	70	20	DEID	
CC(C)(C)c1ncc(NC(=O)C(=O)N2CCC3(CCC3)C2)cn1	159407465	XMEGHVGZJSDJMS-UHFFFAOYSA-N	316.405	2.115	70	20	DEID	
CO[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1cc(Cl)ccc1C	159929195	ZWSMXUTWXBAWAG-DGCLKSJQSA-N	310.781	2.271	70	20	DEID	
CC[C@H](C)OCC(=O)N1CCCN(C(=O)c2ccsc2)CC1	159963100	RCMDSAVPAUOLPN-ZDUSSCGKSA-N	324.446	2.238	70	20	DEID	
CCC(CC)[C@H](CNC(=O)c1cccc(F)n1)N1CCOCC1	159583506	CIOLCNIJQJZEPX-HNNXBMFYSA-N	323.412	2.088	70	20	DEID	
O=C(COc1ccc(F)cc1Cl)N[C@H]1CCC[C@H]1CO	217995922	VCRCECWPCYUSHI-CABZTGNLSA-N	301.745	2.135	70	20	DEID	
O=C(NCc1cc(-c2ccccc2)on1)[C@H]1CCn2ccnc2C1	161130381	ARQVPAIVURCSQJ-AWEZNQCLSA-N	322.368	2.417	70	20	DEID	
Cc1cc(C[C@H](C)NC(=O)Nc2cnn(C(C)(C)C)c2)n[nH]1	161290960	KXLBBSRQRBEHAL-JTQLQIEISA-N	304.398	2.422	70	20	DEID	
C1CCN(CCCN2CCC(OCCN3CCCC3)CC2)CC1	161388043	FTXITSDGIJDXMS-UHFFFAOYSA-N	323.525	2.439	70	20	DEID	
CC[C@H](C)Oc1ccc(NC(=O)NCC[C@H](O)COC)cc1	160119975	OVEWHVXCDPAUOV-JSGCOSHPSA-N	310.394	2.383	70	20	DEID	
Cc1nn(C)c(C)c1[C@H](OC(=O)c1ccnn1C)C(F)(F)F	160142189	XRDBJCIULZTOIM-NSHDSACASA-N	316.283	2.231	70	20	DEID	
C[C@@H](NCc1ccccc1CN1CCOCC1)C1CCOCC1	160505639	WCMMIJDUQQYCEX-MRXNPFEDSA-N	318.461	2.424	70	20	DEID	
Cc1c(/C=C/C(=O)Nc2nnc(C(F)(F)F)s2)cnn1C	160760089	MPNNBFZSWLEANV-ONEGZZNKSA-N	317.296	2.251	70	20	DEID	
CC(C)Oc1ccccc1NC(=O)NCC1(CO)CCOCC1	160801925	VWYSHPQUPLXMBT-UHFFFAOYSA-N	322.405	2.384	70	20	DEID	
CCCCN(CCOC)C(=O)N[C@H]1CCN(C2CCCC2)C1	160843573	ZNLPNIMPCLTFAU-HNNXBMFYSA-N	311.470	2.461	70	20	DEID	
O=C(NCc1ccccc1F)Nc1ccnn1C[C@@H]1CCOC1	159605166	KDALEVKEORTZDI-LBPRGKRZSA-N	318.352	2.380	70	20	DEID	
COC[C@H](NC(=O)NCC(C)(C)[C@H](O)C(C)C)c1ccco1	159410700	GHSHUWPMEXYVOQ-GXTWGEPZSA-N	312.410	2.309	70	20	DEID	
CCO[C@@H](C)c1noc(CN(C)C2(C(=O)OC)CCCC2)n1	159426954	FKDDHFKMBYKEDW-NSHDSACASA-N	311.382	2.085	70	20	DEID	
COCCCOc1cccc(CN2CCC(CC(N)=O)CC2)c1	159842259	SVFZQKVULIIEQY-UHFFFAOYSA-N	320.433	2.189	70	20	DEID	
CC(C)CN(CC(N)=O)C(=O)Cc1c[nH]c2ccc(Cl)cc12	159508662	WBOFUJOCTJHLOE-UHFFFAOYSA-N	321.808	2.334	70	20	DEID	
CC(C)CCn1ccc(N[C@@H](C)C(=O)NC(=O)NC(C)(C)C)n1	159913341	YSRVELSWLQSJMY-LBPRGKRZSA-N	323.441	2.354	70	20	DEID	
COc1cc(F)ccc1NC(=O)N[C@@H](CO)CCSC	159546207	GQGJPYCINNFSBH-SNVBAGLBSA-N	302.371	2.070	70	20	DEID	
Cc1ccc(S(=O)(=O)N2CCc3ncncc3C2)cc1Cl	218073932	SNDIRKBLWZUPEN-UHFFFAOYSA-N	323.805	2.185	70	20	DEID	
Cn1nc(-c2ccccc2)cc1C(=O)N1CCc2ncncc2C1	218059124	QIJVUSPVIIPDMJ-UHFFFAOYSA-N	319.368	2.076	70	20	DEID	
O=C(OCCC1CCOCC1)c1ccc(S(=O)(=O)F)cc1	490537632	VCELCDXGBOOUPO-UHFFFAOYSA-N	316.350	2.318	70	20	DEID	
C[C@H]1[C@@H](C)SCCN1C(=O)c1cccc(S(=O)(=O)F)c1	1338260134	KVINGCPZDMMBDI-VHSXEESVSA-N	317.407	2.311	70	20	DEID	
COCC[C@H](C)NC(=O)c1cc(S(=O)(=O)F)ccc1Cl	1338372624	QYIKZTFKWRPYLB-QMMMGPOBSA-N	323.773	2.153	70	20	DEID	
CN(CCCc1ccccc1)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1354469332	IBKWDDSYUMUINF-UHFFFAOYSA-N	324.377	2.378	70	20	DEID	
Cc1ncsc1C(=O)NCCN(C)Cc1ccc(F)cc1	161062901	DMCMEZBESUGOPH-UHFFFAOYSA-N	307.394	2.452	70	20	DEID	
COc1ccc(CCCN(C)C(=O)C[C@@H]2COC(=O)C2)cc1	160285467	OFSMCXFDNQNFQK-AWEZNQCLSA-N	305.374	2.039	70	20	DEID	
CC[C@H](COC)NS(=O)(=O)c1ccc(-c2coc(C)n2)cc1	160301369	ZFCRDUZPODZMJU-CYBMUJFWSA-N	324.402	2.353	70	20	DEID	
Cc1nc(NC(=O)c2cccc3c2OCC(=O)N3)cc(C2CC2)n1	160318337	OESONARKOUGHOX-UHFFFAOYSA-N	324.340	2.246	70	20	DEID	
CCN(Cc1cccc(F)c1)C(=O)C(=O)Nc1nocc1C	160346717	VMELNJBCBRPXOA-UHFFFAOYSA-N	305.309	2.109	70	20	DEID	
Cc1cccc2[nH]c(CNC(=O)N(C)CC3CCOCC3)nc12	160367449	QSKBJURCYAJLJT-UHFFFAOYSA-N	316.405	2.439	70	20	DEID	
NC(=O)c1ccc(C(=O)N[C@H]2CCCc3sccc32)nc1	160441905	PVCIQGRMQJHEFJ-NSHDSACASA-N	301.371	2.049	70	20	DEID	
O=C(CNC(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2)OCC1CC1	160444002	SGCHISAIMIJTDV-QJRTVWDNSA-N	309.381	2.364	70	20	DEID	
CC(C)CNC(=O)C[S@](=O)c1ncc(C(C)(C)C)s1	160491508	CPPQSWJLTDIELN-LJQANCHMSA-N	302.465	2.320	70	20	DEID	
O=C(N[C@@H]1CCO[C@H](C2CC2)C1)N1CCC[C@@H](N2CCCC2)C1	160527085	LVFQSFNEMSVLKF-ZACQAIPSSA-N	321.465	2.214	70	20	DEID	
O=C(Nc1cccc(F)n1)c1ccnc(O[C@H]2CCOC2)c1	160656326	QLFFXWWLFYXOOR-NSHDSACASA-N	303.293	2.036	70	20	DEID	
CCc1nc2n(n1)C[C@H](NC(=O)[C@@H](C)c1cccs1)CC2	160705429	SUVPWFNSEZSJRT-WDEREUQCSA-N	304.419	2.137	70	20	DEID	
CN(CC(C)(C)O)C(=O)N[C@H]1CCO[C@H](c2ccccc2)C1	160842229	NQJZLKVKIGRNFP-GJZGRUSLSA-N	306.406	2.319	70	20	DEID	
Cc1ccccc1-n1c(C)nnc1SCc1nncn1C	160938921	YAOFLBDYRCECBU-UHFFFAOYSA-N	300.391	2.305	70	20	DEID	
Cc1ccc(C)c(SCC(=O)N(CC(N)=O)CC(C)C)c1	159823104	BNNTXFXVYCINMX-UHFFFAOYSA-N	308.447	2.365	70	20	DEID	
C[C@@H](CNC(=O)c1cnc2c(c1)ncn2C)Oc1ccccc1	159843904	GGQAKCFYGYZMBZ-LBPRGKRZSA-N	310.357	2.166	70	20	DEID	
CCN1CCCN(C(=O)NC[C@H](C)Oc2ccccc2)CC1	159860587	SXDBLSBDULXSRL-HNNXBMFYSA-N	305.422	2.191	70	20	DEID	
CCC[C@@H](C)NS(=O)(=O)c1c(C)[nH]c(C(=O)OCC)c1C	159472418	APEAOEXKQHUTKD-SECBINFHSA-N	316.423	2.275	70	20	DEID	
Cc1cnccc1CCNC(=O)N[C@H]1CCO[C@H](C2CC2)C1	159885819	SOANCGRJSGFXPU-HOTGVXAUSA-N	303.406	2.189	70	20	DEID	
CC[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1	159700135	JQFICNMECJJOJH-UMVBOHGHSA-N	304.390	2.323	70	20	DEID	
C[C@H](SCCN1CCOCC1)C(=O)N[C@H](C)c1ccccc1	159930190	GDXPKOJKRASSBG-CABCVRRESA-N	322.474	2.318	70	20	DEID	
Cc1ccc(S(=O)(=O)NC[C@H](O)C2CCCCC2)s1	159584511	SYFXONNDOKQBOF-LBPRGKRZSA-N	303.449	2.276	70	20	DEID	
CC(C)CN(CC(N)=O)C(=O)[C@H](C)Oc1cccc(Cl)c1	159785754	JGMWDEITXLRHAG-NSHDSACASA-N	312.797	2.077	70	20	DEID	
CCN1CCCN(C(=O)N[C@H]2CCc3c(OC)cccc32)CC1	159987829	PLGFTUKFNPJXMB-INIZCTEOSA-N	317.433	2.420	70	20	DEID	
COc1ccc(OC)c(C(=O)N2CCC(NCC3CC3)CC2)c1	159793843	ZCVXSEITOGFDHC-UHFFFAOYSA-N	318.417	2.308	70	20	DEID	
CCN(Cc1cnc(C(C)(C)C)s1)[C@H]1CCS(=O)(=O)C1	160575367	BHWVHSHBOBHALS-NSHDSACASA-N	316.492	2.450	70	20	DEID	
N[C@H]1CCC[C@H](NC(=O)c2cc(Br)ccc2O)C1	161197188	IRTXDGWDRVIVPY-UWVGGRQHSA-N	313.195	2.154	70	20	DEID	
CO[C@](C)(C(=O)Nc1cccc(S(=O)(=O)F)c1)C1CC1	292492373	YVCMURAUGUVGQP-ZDUSSCGKSA-N	301.339	2.098	70	20	DEID	
CCOCCC1(CNC(=O)c2cccnc2N(C)C)CCC1	161017441	AMNQHEXJFPLRKE-UHFFFAOYSA-N	305.422	2.474	70	20	DEID	
C[C@H](SCC(=O)N[C@H]1CCC[C@@H]1O)c1nc2ccccc2[nH]1	161121580	JPULIZOYNXLLIX-BPNCWPANSA-N	319.430	2.387	70	20	DEID	
Cc1cc(C)c(NCC(=O)NCC(=O)NC(C)(C)C)c(C)c1	161147502	ZQEAIJFIILZEDS-UHFFFAOYSA-N	305.422	2.055	70	20	DEID	
CNC[C@H]1CCCN1C(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1	161308594	LQZBCXCEQHXQPE-APHBMKBZSA-N	315.417	2.105	70	20	DEID	
C[C@H](CO)CNC(=O)N[C@H](C[C@@H]1CCOC1)c1ccccc1	161315054	NLKJOTOGECUKKW-OFQRWUPVSA-N	306.406	2.082	70	20	DEID	
Cc1nccc(NC(=O)N[C@H]2CCc3[nH]ncc3C2)c1Cl	160028790	SHERNHGMTULVBB-JTQLQIEISA-N	305.769	2.446	70	20	DEID	
COC[C@H](NC(=O)Nc1ccc(C(=O)OC)c(C)c1)C1CC1	160051811	ZLHYFYBHHWLQCF-AWEZNQCLSA-N	306.362	2.328	70	20	DEID	
CCn1c(SCCn2ccnc2)nnc1-c1cccnc1	160184481	BGUAATXWOZZYHX-UHFFFAOYSA-N	300.391	2.349	70	20	DEID	
O=C(COC[C@@H]1CCOC1)N[C@H]1CCOC2(CCCCC2)C1	160445794	LFYASYZDKVKWDS-CABCVRRESA-N	311.422	2.038	70	20	DEID	
CN(C(=O)c1cccc(-n2cccn2)n1)c1ccc2c(c1)OCO2	160486228	QGFHMDKMEIELLI-UHFFFAOYSA-N	322.324	2.273	70	20	DEID	
COc1ncccc1NC(=O)NC[C@@]1(O)CCc2ccccc21	160542944	GAYWFPZEPPKVJL-KRWDZBQOSA-N	313.357	2.046	70	20	DEID	
CC[C@@H](NC(=O)[C@H](C)NC(=O)c1ccoc1)c1c(C)noc1C	160547602	NINBIQPIQDWFHV-GXFFZTMASA-N	319.361	2.270	70	20	DEID	
CCN(Cc1cc2cc(OC)ccc2o1)[C@@H]1CCS(=O)(=O)C1	160588355	FLOGDVFIKBVAQS-CYBMUJFWSA-N	323.414	2.450	70	20	DEID	
Cc1ccc(F)c(N2CCC[C@@H](N(C)C[C@H](O)C3CC3)C2=O)c1	160752288	FKQMRWMJAOBUMJ-WBVHZDCISA-N	320.408	2.332	70	20	DEID	
COC1(C(=O)Nc2cccc(CC(F)(F)F)c2)CCNCC1	160804518	QNBHUZKOYGJPGT-UHFFFAOYSA-N	316.323	2.499	70	20	DEID	
C[C@@]1(NC(=O)Nc2ccc(OCC(F)(F)F)nc2)CCOC1	160980205	VZZMHQXFDPKRPA-GFCCVEGCSA-N	319.283	2.323	70	20	DEID	
Cc1cc(Cl)ccc1S(=O)(=O)NC1(C)CCOCC1	160990559	TUKNAICQUKSWDJ-UHFFFAOYSA-N	303.811	2.496	70	20	DEID	
COC(=O)CCNC(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)F	159416608	HMLJUHAWBAGVNJ-MNOVXSKESA-N	313.300	2.071	70	20	DEID	
NC(=O)[C@H]1CCCCN1C(=O)Cc1c[nH]c2ccc(Cl)cc12	159615427	KWKAZABEODRKJK-CQSZACIVSA-N	319.792	2.230	70	20	DEID	
CC(C)(C)c1nsc(N[C@@H]2CCN(CC(F)(F)F)C2=O)n1	159438938	ZFSVJEPMJCTKFY-SSDOTTSWSA-N	322.356	2.411	70	20	DEID	
Cc1cc(N[C@@H]2CCN(c3c(F)cccc3F)C2=O)nn1C	159653941	IZRVVKZAGIIGRB-GFCCVEGCSA-N	306.316	2.224	70	20	DEID	
CCCC(=O)N1CCC[C@H]1C(=O)Nc1cc(C2CC2)nc(C)n1	159879318	FPEYXOUJOYBHST-AWEZNQCLSA-N	316.405	2.392	70	20	DEID	
C[C@H]1C[C@@H](C)CCN(C(=O)Nc2ccc(OCC(N)=O)cc2)C1	159726695	JITDENOFLNMUQY-STQMWFEESA-N	319.405	2.451	70	20	DEID	
COC[C@@H](O)CCNC(=O)Nc1ccccc1OCC(C)C	159559806	UXKAZDHKQONLPP-ZDUSSCGKSA-N	310.394	2.240	70	20	DEID	
O=C1CCc2cc(C(=O)N[C@@H]3CCC[C@@H]4OCC[C@@H]43)ccc2N1	159789613	IRNZRYLIWPVNPI-BMFZPTHFSA-N	314.385	2.259	70	20	DEID	
Cc1nsc(C)c1COC(=O)c1cc(S(=O)(=O)F)c[nH]1	1121217463	JQRRMEMWIDPNSI-UHFFFAOYSA-N	318.351	2.103	70	20	DEID	
O=C(Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1)[C@H]1CCCN1	161038926	KULVMFHWICRISP-PMPSAXMXSA-N	304.390	2.059	70	20	DEID	
CC[C@@H](C(=O)NC[C@@H]1CCCS1(=O)=O)c1ccc(F)cc1	161200573	OABYIKZTDAWYKY-UONOGXRCSA-N	313.394	2.013	70	20	DEID	
CCN(Cc1ccc(C(=O)NCC[C@@H](O)COC)cc1)C(C)C	161236812	LTFRDXANFLVDLO-QGZVFWFLSA-N	322.449	2.044	70	20	DEID	
COC[C@H](O)CCNC(=O)c1ccc(Oc2ccccc2)o1	161251016	IILAZAHXOLISJY-GFCCVEGCSA-N	305.330	2.199	70	20	DEID	
C[C@H](C(=O)N(C)c1ccccc1)N1CCN(c2ccncc2)CC1	161320235	UHULVBAXCGAUHD-MRXNPFEDSA-N	324.428	2.255	70	20	DEID	
CC(C)N(C(=O)[C@H](C)Sc1ncnc2[nH]cnc12)C(C)C	161365839	CKKRNAKSVJHRPS-JTQLQIEISA-N	307.423	2.479	70	20	DEID	
CC[C@H](NC(=O)[C@H]1CCCN(C(C)=O)C1)c1c(C)noc1C	160056473	NRZXTPSQCREEEC-KBPBESRZSA-N	307.394	2.117	70	20	DEID	
COCCN(C)CCCNC(=O)[C@@]1(C)CCCc2ccccc21	160149007	GUPJJQFZZFAYTA-IBGZPJMESA-N	318.461	2.365	70	20	DEID	
C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)[C@H]1CCCCO1	160162397	DSEINPYYSAFSJZ-XJKSGUPXSA-N	314.389	2.356	70	20	DEID	
COc1ccc(F)cc1[C@H](C)NC(=O)N1CCC[C@@](C)(O)C1	160468741	XOITVGDANODGTO-MEDUHNTESA-N	310.369	2.452	70	20	DEID	
C[C@@H](Oc1ccccc1Br)C(=O)N(C)[C@H](C)CO	160477424	WZLQZYYKPIVXTO-NXEZZACHSA-N	316.195	2.056	70	20	DEID	
O=C(NCC1(CCO)CCC1)c1csc([C@H]2CCCO2)n1	160479373	RUOVNOBILCJEAV-GFCCVEGCSA-N	310.419	2.277	70	20	DEID	
COc1ccc(-n2ccc(C(=O)N[C@@H](CCO)C(C)C)n2)cc1	160534831	YVTZUWNWYQGFHA-HNNXBMFYSA-N	317.389	2.018	70	20	DEID	
O=C(NC1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccsc1	160551656	INUMCPKWEJFVIZ-GJZGRUSLSA-N	308.447	2.246	70	20	DEID	
COc1ccccc1OC[C@H](C)CNC(=O)NC[C@H]1CCCO1	160572212	FPUQNLFRGCHEMM-ZIAGYGMSSA-N	322.405	2.188	70	20	DEID	
Cc1cc(NC(=O)NC2C[C@H](C)O[C@@H](C)C2)ccc1C(N)=O	160621291	AAXUUXALYBDLIB-QWRGUYRKSA-N	305.378	2.171	70	20	DEID	
COC(=O)CN(C(=O)c1n[nH]c2ccccc12)C1CCCC1	160817047	RJAAIGDGHJWWPE-UHFFFAOYSA-N	301.346	2.121	70	20	DEID	
O=C(NCCc1ccccc1Cl)[C@H]1CCn2ccnc2C1	160840624	LJTIMGIWAGADTJ-ZDUSSCGKSA-N	303.793	2.458	70	20	DEID	
C[C@H](CC(=O)c1cccs1)NC(=O)COC[C@H]1CCCO1	160948615	YBYMCGLDZFXRAI-VXGBXAGGSA-N	311.403	2.021	70	20	DEID	
Cc1nccn1CCCCNC(=O)c1ccc2c(c1)N(C)CC2	159403631	KACBEBZCCDPJNB-UHFFFAOYSA-N	312.417	2.394	70	20	DEID	
CCc1nn(C)c(CC)c1S(=O)(=O)Nc1ncccc1C	159605468	AEPSDJKDGDAUNY-UHFFFAOYSA-N	308.407	2.049	70	20	DEID	
COc1cccc(CCCN2CCC[C@H](CNC(C)=O)C2)c1	159726874	XUIBFNGFCRHNFJ-QGZVFWFLSA-N	304.434	2.476	70	20	DEID	
C[C@H](NCCCN1CCCC1=O)c1ccc([S@](C)=O)cc1	159538986	HMRKYRDIOHIHHD-YEJXKQKISA-N	308.447	2.087	70	20	DEID	
O=C(Nc1cccc2c1OCCO2)N1CCOC2(CCC2)C1	159740528	BEBUHKXDNCPLOR-UHFFFAOYSA-N	304.346	2.245	70	20	DEID	
CCN1CCN([C@@H]2CCN(c3nc(C(C)(C)C)ns3)C2)CC1	159370326	QAADDKIDIQNKIO-CYBMUJFWSA-N	323.510	2.052	70	20	DEID	
O=C1CCC(COC(=O)c2cccc(S(=O)(=O)F)c2)CC1	1333518461	BUWZQSPNTOBROP-UHFFFAOYSA-N	314.334	2.261	70	20	DEID	
CCN(CC(=O)Nc1c(C)cccc1C)C(=O)[C@@H](N)CC(C)C	161062545	XLVFTCCQDRDXSG-HNNXBMFYSA-N	319.449	2.464	70	20	DEID	
Cc1ccccc1[C@@H](C)NC(=O)N1CCC(N(C)CCO)CC1	161103213	HFWYEPSOEGRBPQ-OAHLLOKOSA-N	319.449	2.154	70	20	DEID	
N[C@@H]1CCC[C@@H](NC(=O)CCc2cnn(-c3ccccc3)c2)C1	161121992	QEBZKFXUPRUQFA-HZPDHXFCSA-N	312.417	2.191	70	20	DEID	
COc1ccc(NC(=O)NCCCNC(=O)C(C)C)cc1F	161132260	ALDCCZLDFMBHNR-UHFFFAOYSA-N	311.357	2.118	70	20	DEID	
CCOC(=O)c1c(C)oc2nc(CN3CCC[C@H]3C)nc(N)c12	161333161	YFBUDNDKCDFLON-SECBINFHSA-N	318.377	2.274	70	20	DEID	
COC(=O)C1CCN(C(=O)Nc2ccn(CCC(C)C)n2)CC1	161402555	XWOOKWISYCFQNH-UHFFFAOYSA-N	322.409	2.346	70	20	DEID	
CCC(CC)n1ncc(C(=O)N2CCC[C@H](NC(C)=O)C2)c1C	160115252	WZQHGHLPKOLNJD-AWEZNQCLSA-N	320.437	2.293	70	20	DEID	
CCc1n[nH]c(=O)c(CNC(=O)N2CCCC[C@H]2CC)c1CC	160436419	DZWLQSLNTWIPIW-GFCCVEGCSA-N	320.437	2.369	70	20	DEID	
Cc1conc1NC(=O)C(=O)N1CCC[C@H]1C1CCCCC1	160437861	SHJQSGJCLXTYLY-ZDUSSCGKSA-N	305.378	2.493	70	20	DEID	
CCc1cc(C(=O)NC[C@@H](O)CN2CCCCC2)sc1C	160502799	WZZAIFSIKFODFB-CQSZACIVSA-N	310.463	2.196	70	20	DEID	
O=C(Nc1ccc(C(=O)N2CCCC2)cc1)[C@H]1CCCCO1	160658099	LSGXYBOXXXYWCR-OAHLLOKOSA-N	302.374	2.430	70	20	DEID	
CCNC(=O)COc1cccc(N[C@H](C)C(=O)OC(C)(C)C)c1	160744419	ZLGUPIGOWLECCK-GFCCVEGCSA-N	322.405	2.344	70	20	DEID	
CCn1ccnc1CN1CCN(C(=O)C2CCCCC2)CC1	160858438	ZETJVAYZARKTEU-UHFFFAOYSA-N	304.438	2.128	70	20	DEID	
CS[C@@H](C)CC(=O)NCc1ccccc1N1CCOCC1	160875090	ABPMRHMIVJUHHC-ZDUSSCGKSA-N	308.447	2.281	70	20	DEID	
CC(C)(C)CC(=O)NCC(=O)N1CCc2c(F)cccc2C1	160929475	BMMLBENQVAPELX-UHFFFAOYSA-N	306.381	2.263	70	20	DEID	
CCN1CCCN(C(=O)NC[C@H](OC)c2ccccc2)CC1	159588403	JWDGRLXHUTVVAZ-INIZCTEOSA-N	305.422	2.111	70	20	DEID	
O=[N+]([O-])c1ccc(N[C@H]2CCSC2)c(CS(=O)(=O)F)c1	882029750	HZENATHBVCBKSY-VIFPVBQESA-N	320.367	2.312	70	20	DEID	
COC1(CCNC(=O)c2cccc(S(=O)(=O)F)c2)CCC1	1337486153	LFBSVDACFIGSAC-UHFFFAOYSA-N	315.366	2.034	70	20	DEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC[C@H]1c1cccnc1	1263697158	NQFYMQCILRLJOD-ZDUSSCGKSA-N	323.349	2.045	70	20	DEID	
O=C(NCCOc1ccccc1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	161037853	CCCFQEUVSAOPMQ-XHSDSOJGSA-N	316.401	2.322	70	20	DEID	
CCCCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCn2ccnc2C1	161078903	WZKAMSYOAMTFJK-HZPDHXFCSA-N	318.465	2.216	70	20	DEID	
NC(=O)NC1(C(=O)N2CCC[C@H]2c2ccccc2Cl)CC1	161325680	JMJBOOGRPNEBIV-LBPRGKRZSA-N	307.781	2.204	70	20	DEID	
CC(C)(C)CN(CCCO)S(=O)(=O)c1cc(F)cc(F)c1	161362464	CSDOCZHFXISHFW-UHFFFAOYSA-N	321.389	2.384	70	20	DEID	
CCCc1cc(=O)n2nc(N[C@@H](CO)CC(C)(C)C)sc2n1	161421909	AHVDVBYYLMZFSB-LLVKDONJSA-N	324.450	2.313	70	20	DEID	
CCOCc1ccc(NC(=O)N2CCC[C@@H](CC(N)=O)C2)cc1	161466344	BJLINLQVGROFFH-AWEZNQCLSA-N	319.405	2.342	70	20	DEID	
COCCN(Cc1cccnc1)C(=O)Nc1ccc(C)nc1	161476006	ZNWBTSHINAQPSP-UHFFFAOYSA-N	300.362	2.466	70	20	DEID	
CC(=O)NC1CCC(NCCC(=O)Nc2ccccc2)CC1	161481610	RRYKWGUVGBGABB-UHFFFAOYSA-N	303.406	2.052	70	20	DEID	
CCN(CC)[C@@H](C)CNC(=O)c1cc2c([nH]c1=O)CCCCC2	160067658	GGMHRJGQEDGBEF-ZDUSSCGKSA-N	319.449	2.104	70	20	DEID	
Cc1nnc2ccc(N[C@H]3CN(Cc4ccccc4)C[C@@H]3C)nn12	160242447	FOCJIUVDAWSENW-BBRMVZONSA-N	322.416	2.365	70	20	DEID	
Cc1conc1NC(=O)C(=O)N(C)Cc1ccccc1Cl	160334965	QQOPFYFAKHASQC-UHFFFAOYSA-N	307.737	2.234	70	20	DEID	
CCC(=O)N1CCC[C@@H](C(=O)N(C)c2ccc3c(c2)OCO3)C1	160469441	URIVDGZNXATLMB-GFCCVEGCSA-N	318.373	2.027	70	20	DEID	
COc1ccccc1[C@@H](NC(=O)N[C@H](C)CO)c1ccco1	160637217	ZRBVDABFHAGAPG-IAQYHMDHSA-N	304.346	2.058	70	20	DEID	
CCCC1(CNC(=O)[C@H](C)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1	160660266	HFURQQZJJPIOCW-IHRRRGAJSA-N	320.433	2.247	70	20	DEID	
CC(C)c1ccsc1C(=O)NCC1CCN(CCO)CC1	160668340	DTDNWYQIWNBRRG-UHFFFAOYSA-N	310.463	2.306	70	20	DEID	
Cn1ccc(NC(=O)NCCc2nc3c(s2)CCCC3)n1	160754924	DITXMHXVEHRAPX-UHFFFAOYSA-N	305.407	2.120	70	20	DEID	
COC[C@H](N)C(=O)N[C@H](c1ccc(F)cc1)c1cccs1	159440268	HUOORQHOTNXTCH-GXTWGEPZSA-N	308.378	2.067	70	20	DEID	
Cc1nccc(NC(=O)N2CCC[C@H]2C(=O)N(C)C)c1Cl	159732999	ULPRRCJNBVJUGH-NSHDSACASA-N	310.785	2.128	70	20	DEID	
CCS[C@@H](C)c1noc(CSCCN2CCOCC2)n1	159772399	AKBNOPZPJZNTQW-NSHDSACASA-N	317.480	2.449	70	20	DEID	
CN(C)c1ccccc1NC(=O)CNC(=O)CC1CCCC1	159993901	GGKHBBNOVKGQLC-UHFFFAOYSA-N	303.406	2.388	70	20	DEID	
COc1cc(NC(=O)Nc2ccc(C(N)=O)cc2)cc(OC)c1	217274030	GOKVUSFZHUPFEO-UHFFFAOYSA-N	315.329	2.447	70	20	DEID	
C[C@@H]1CC[C@@H](CC(=O)Nc2ccc(S(=O)(=O)F)cc2)O1	460091190	JICHYPSGXYEXRV-KOLCDFICSA-N	301.339	2.241	70	20	DEID	
O=C(Nc1cccc(S(=O)(=O)F)c1)c1coc(C2CC2)n1	809281130	HLAALFRAHRLRIA-UHFFFAOYSA-N	310.306	2.463	70	20	DEID	
CCCC[C@H](NC(=O)c1cncnc1C)C(=O)OC(C)(C)C	161108527	GAFDYKBITYZOFT-ZDUSSCGKSA-N	307.394	2.415	70	20	DEID	
Cc1cc(C(=O)NC[C@H](c2cccs2)N2CCCC2)ncn1	161304718	ISCUXVOKDRUKHR-CQSZACIVSA-N	316.430	2.413	70	20	DEID	
Cc1noc(C)c1C[C@@H](C)NC(=O)N(C)C[C@@H]1CCC[C@@H]1O	161427030	OOJAZRQGQAWZTJ-DGFSRKRXSA-N	309.410	2.025	70	20	DEID	
CC(C)C[C@H](CO)NC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1	160175122	JOZUPYFCVNXWOT-GDBMZVCRSA-N	322.405	2.383	70	20	DEID	
CC(=O)NC1(C(=O)N(C)c2ccc3c(c2)OCO3)CCCCC1	160180586	OYTDFBIULGTKRM-UHFFFAOYSA-N	318.373	2.217	70	20	DEID	
Cn1c(=O)oc2c(C(=O)NC[C@@H]3Cc4ccccc43)cccc21	160291090	NBFFBRVZWPRFPR-LBPRGKRZSA-N	308.337	2.201	70	20	DEID	
NC(=O)[C@H]1CCCCC[C@H]1NC(=O)Cc1ccc(O)cc1Cl	160385645	WORFNEFFZXEDBA-GXTWGEPZSA-N	324.808	2.139	70	20	DEID	
NC(=O)[C@@H]1CCCCC[C@H]1NC(=O)Cc1ccc(O)cc1Cl	160385903	WORFNEFFZXEDBA-TZMCWYRMSA-N	324.808	2.139	70	20	DEID	
CC[C@@H](NC(=O)Nc1ccc(F)c(C(N)=O)c1)[C@@H]1CCCO1	160775522	YZKYJYZAMPMMIG-OLZOCXBDSA-N	309.341	2.004	70	20	DEID	
CCC(CC)(CC)CNC(=O)N(C)[C@H](C)CS(C)(=O)=O	159803106	ZJQBJCQYZHOMTH-GFCCVEGCSA-N	306.472	2.277	70	20	DEID	
COc1ccc2c(=O)n(Cc3noc(C(C)(C)C)n3)cnc2c1	159915229	ISBUKGGTWSEETJ-UHFFFAOYSA-N	314.345	2.134	70	20	DEID	
O=S(=O)(Cc1ccc(F)c(Cl)c1)NCc1ccncc1	159539112	LMXONPSSAPACFC-UHFFFAOYSA-N	314.769	2.494	70	20	DEID	
COCCN(C)CCN[C@@H](C)c1ccc(-n2ccnc2C)cc1	159368727	NWIMZGXZYPUNOZ-HNNXBMFYSA-N	316.449	2.410	70	20	DEID	
CC(=O)NCCNC(=O)Nc1cccc(N2CCC(C)CC2)c1	159753496	UDSJMRIYZWLTJV-UHFFFAOYSA-N	318.421	2.181	70	20	DEID	
CSCC[C@@H](N)C(=O)N[C@H](C)c1ccccc1-n1cccn1	159593710	XHMMIPSDVIABRM-TZMCWYRMSA-N	318.446	2.130	70	20	DEID	
NC[C@H]1CCCN1C(=O)COc1cc(Cl)ccc1Cl	160131247	XPSHKNJFZPVRMH-SNVBAGLBSA-N	303.189	2.322	70	20	DEID	
O=C(Cc1ccc(S(=O)(=O)F)cc1)N[C@@H]1CCC[C@@H]2C[C@@H]21	1338948582	UUNDGAKWJNCDJE-KWCYVHTRSA-N	311.378	2.192	70	20	DEID	
C[C@H](CC#N)N(C)C(=O)c1cc(S(=O)(=O)F)ccc1Cl	1337807010	AQZFDPAXXAUPFS-MRVPVSSYSA-N	318.757	2.372	70	20	DEID	
CCC[C@@H](C#N)NC(=O)c1cc(S(=O)(=O)F)ccc1Cl	1354861977	HRZAEGYIDYIBPR-QMMMGPOBSA-N	318.757	2.420	70	20	DEID	
Cc1cc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)cnc1Cl	1516701927	PLSVBHIUFBEXLM-UHFFFAOYSA-N	317.729	2.282	70	20	DEID	
COC(=O)[C@H](C)NC(=O)c1cc(C(C)C)n(-c2ccccc2)n1	160079555	UJCPYIVHMIPQSI-LBPRGKRZSA-N	315.373	2.287	70	20	DEID	
COc1ccc(F)cc1[C@@H](C)NC(=O)N1CCC[C@@](C)(O)C1	160468863	XOITVGDANODGTO-BDJLRTHQSA-N	310.369	2.452	70	20	DEID	
CC[C@H](NC(=O)CCn1c(C)csc1=O)c1c(C)noc1C	160683527	UOJZOENBSYINJF-LBPRGKRZSA-N	323.418	2.481	70	20	DEID	
CC(C)CN(C(=O)CCCNC(=O)c1cccnc1)C1CC1	160908769	LFKZHFJLBSWINP-UHFFFAOYSA-N	303.406	2.239	70	20	DEID	
CCNc1nc(C(=O)N2CC[C@@H](Oc3ccncc3)C2)cs1	160953522	KJNYWPIBWFOWTE-GFCCVEGCSA-N	318.402	2.263	70	20	DEID	
CCC[C@H]1CN(C(=O)N[C@H](C)c2nnc3ccccn23)CCO1	159407147	MFORHVRSUMHMNR-OLZOCXBDSA-N	317.393	2.001	70	20	DEID	
Cc1noc(C)c1CCS(=O)(=O)Cc1noc2c1CCCC2	159661679	RRNMHPWVHQUDLU-UHFFFAOYSA-N	324.402	2.316	70	20	DEID	
O=C(N[C@H]1CCOC2(CCCC2)C1)[C@H]1CSCCS1	159918182	SBIKFMUASQWCCX-NWDGAFQWSA-N	301.477	2.443	70	20	DEID	
NC(=O)C[C@H]1CCCN(C(=O)CCc2ccc(F)cc2F)C1	159958251	ZZFNVQGSEZYSLX-LLVKDONJSA-N	310.344	2.011	70	20	DEID	
C[C@@H]1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1121186909	VKBSTVQHJIOBNH-NXEZZACHSA-N	302.371	2.372	70	20	DEID	
Cc1ccc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)cc1F	1515237637	RYOHWJRBYBKORD-UHFFFAOYSA-N	300.286	2.373	70	20	DEID	
COC[C@H](O)CCNC(=O)c1ccccc1Oc1cccnc1	161145911	LCRWLZVVQOKQRE-CYBMUJFWSA-N	316.357	2.001	70	20	DEID	
Cc1cccc(-n2nnnc2SCc2ccnn2C)c1C	161272442	URQORWFDRLZVCO-UHFFFAOYSA-N	300.391	2.305	70	20	DEID	
CNC(=O)c1ccc(NC(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)cc1	161395650	MLTVCMPPOHPJMW-HUUCEWRRSA-N	317.389	2.125	70	20	DEID	
CCc1n[nH]c(=O)c(CNC(=O)N(CC)C[C@@H](C)CC)c1CC	160302502	RZDCHYRHZJXJBL-LBPRGKRZSA-N	322.453	2.472	70	20	DEID	
CCCC1(CNC(=O)c2ccccc2NS(C)(=O)=O)CC1	160512044	BUBPMNHPRGXSSK-UHFFFAOYSA-N	310.419	2.368	70	20	DEID	
O=C(NCC1(O)CCCCCC1)N[C@@H]1CCO[C@H](C2CC2)C1	160605855	KVSVRMCEBTWFDT-CABCVRRESA-N	310.438	2.329	70	20	DEID	
CCN(CC)CCCNC(=O)N[C@H]1COc2ccc(C)cc21	160662031	FRRXCAVLIXNUCS-HNNXBMFYSA-N	305.422	2.460	70	20	DEID	
CCn1ncc2ccc(NC(=O)[C@@H]3CCn4ccnc4C3)cc21	160893512	WSMUXIOBXMZBMA-GFCCVEGCSA-N	309.373	2.454	70	20	DEID	
Cn1c(COc2ccccc2)nnc1SCCCCC(N)=O	159400417	AIUYSTGGFMMNLU-UHFFFAOYSA-N	320.418	2.142	70	20	DEID	
Cc1ccc([C@@H](C)N(C)C(=O)NC[C@@H]2CCCS2(=O)=O)cc1	159801092	AUMCWPPWMISPGM-HIFRSBDPSA-N	324.446	2.275	70	20	DEID	
COCc1ccccc1CNC(=O)CNC(=O)CC1CCCC1	159895702	XTUONFKBGJGQOX-UHFFFAOYSA-N	318.417	2.146	70	20	DEID	
CCCCn1ncc(NC(=O)NCCCC(=O)OCC)c1C	159713360	DBAZBUFQVJWTTI-UHFFFAOYSA-N	310.398	2.456	70	20	DEID	
CC[C@@H](c1ccncc1)N(C)S(=O)(=O)c1cnn(CC)c1	159740202	IXKCCORDNXAMES-AWEZNQCLSA-N	308.407	2.070	70	20	DEID	
CC(C)(C)[C@@H]1CCCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1	1123617322	UYFVSWXMBARFPD-NSHDSACASA-N	302.371	2.324	70	20	DEID	
O=C(O)c1cccc(C(=O)Nc2cccc(S(=O)(=O)F)c2)c1	1602434816	WGPANYUPQQNZSG-UHFFFAOYSA-N	323.301	2.295	70	20	DEID	
COC[C@@H](C)NC(=O)C(=O)Nc1cccc(C(F)(F)F)c1C	161067304	DCSJOHQCANSLEN-MRVPVSSYSA-N	318.295	2.103	70	20	DEID	
CCc1ccc(CNC(=O)CN(CC)Cc2cnn(C)c2)s1	161131161	JXZFRZURUXJZMQ-UHFFFAOYSA-N	320.462	2.182	70	20	DEID	
Cc1ccc(Cl)c(NC(=O)N[C@H](C)[C@@H]2CN(C)CCO2)c1	161194789	MCTBQSQWGOWKFK-RISCZKNCSA-N	311.813	2.489	70	20	DEID	
COCCC1(CNC(=O)NCCc2ccc(C)nc2)CCC1	160122266	LFMCOBVBNKARQC-UHFFFAOYSA-N	305.422	2.439	70	20	DEID	
CC(C)C(=O)NC[C@@H]1CCCN(C(=O)c2ccnn2C(C)C)C1	160411183	DZZQIYAFSPWDOX-AWEZNQCLSA-N	320.437	2.088	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)c1ccccc1-c1nc(C)no1	160418964	LONUKVJILDBCBG-SNVBAGLBSA-N	317.345	2.117	70	20	DEID	
Cc1nc2ccccn2c1CN1CCNC(=O)[C@@H]1c1ccccc1	160537290	UDDSDPUGOQYURL-SFHVURJKSA-N	320.396	2.316	70	20	DEID	
COC(=O)c1csc(NC(=O)N[C@@H]2CCC[C@@]2(C)CO)c1	160722791	LAXXZCXBQRQMBD-YGRLFVJLSA-N	312.391	2.207	70	20	DEID	
C[C@H](NC(=O)N1CCO[C@H](c2cccc(O)c2)C1)[C@H]1CCCO1	159800197	AKUMXCSDZLUKJF-MAZHCROVSA-N	320.389	2.043	70	20	DEID	
Cc1nc(C)c(CCNC(=O)N2CCN(C)C[C@H]2C(C)C)s1	159444318	SUFBNZITAGXBMS-AWEZNQCLSA-N	324.494	2.284	70	20	DEID	
O=C(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1cocn1	159855578	COODIXYHAKOIRJ-LLVKDONJSA-N	323.711	2.002	70	20	DEID	
CCCN(C(=O)c1ccc(C(C)C)nc1)[C@H]1CCS(=O)(=O)C1	159868084	KCEHHFIEMUHYFH-AWEZNQCLSA-N	324.446	2.244	70	20	DEID	
CC(C)CN(CC(N)=O)C(=O)c1cc(-c2ccccc2F)on1	159725914	LIWLLHPNYCVROJ-UHFFFAOYSA-N	319.336	2.064	70	20	DEID	
COC(=O)[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)C(C)C	159755889	WZDDORHWTFNBIG-JTNHKYCSSA-N	311.328	2.382	70	20	DEID	
CCCCc1noc(CN2CCN(C(=O)OCC(C)C)CC2)n1	159570421	CJRNVDWPFSDKJQ-UHFFFAOYSA-N	324.425	2.322	70	20	DEID	
O=C(OCCOCC1CCC1)c1ccc(S(=O)(=O)F)cc1	842103386	MFHZCAOWYTYQLV-UHFFFAOYSA-N	316.350	2.318	70	20	DEID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N1C[C@@H]2[C@@H](C1)C2(C)C	1354770242	CKRTXUIJTHFAMU-CHWSQXEVSA-N	311.378	2.381	70	20	DEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC[C@H]1C1CCCC1	1520703128	ODFUOVUBVQYWCM-ZDUSSCGKSA-N	314.382	2.468	70	20	DEID	
CCC1(CNC(=O)N[C@@H](C)[C@@H](C)N2CCOCC2)CCCC1	161111769	JKKRSKWBGHVHRU-LSDHHAIUSA-N	311.470	2.365	70	20	DEID	
COc1ccccc1N1CC[C@H](NC(=O)CCC2CC2)C1=O	161325677	GVGWMEZFUYNFIZ-ZDUSSCGKSA-N	302.374	2.107	70	20	DEID	
Cc1cc(C[C@H](C)NC(=O)c2csc([C@H]3CCCO3)n2)n[nH]1	160158673	LYBQXQBJXJXCAN-TVQRCGJNSA-N	320.418	2.387	70	20	DEID	
C[C@@H](Oc1ccccc1Cl)C(=O)N1C[C@@H]2CCC[C@H](C1)N2	160307079	NQFMRMAVRWDIOM-UPJWGTAASA-N	308.809	2.460	70	20	DEID	
Cc1nn(C)c(=O)c(C(=O)N[C@H]2CCCc3sccc32)c1C	160398980	UXIRAWLWRAIPDC-LBPRGKRZSA-N	317.414	2.266	70	20	DEID	
CC[C@H](NC(=O)[C@H](C)OC[C@@H]1CCCO1)c1c(C)noc1C	160407227	NCXBZKVBQLXNAE-IHRRRGAJSA-N	310.394	2.443	70	20	DEID	
CCCc1cc(=O)n2nc(N[C@H]3CCOC(C)(C)C3)sc2n1	160655598	PPWOBMJCTKPSLC-NSHDSACASA-N	322.434	2.473	70	20	DEID	
COC(=O)c1csc(NC(=O)N(CCCCO)C2CC2)c1	160786355	FNVZBWGKBIEOTJ-UHFFFAOYSA-N	312.391	2.304	70	20	DEID	
CNC(=O)C(C)(C)CNC(=O)[C@H](OC(C)(C)C)c1ccccc1	160965343	DSSJEEOZPGZLGP-CQSZACIVSA-N	320.433	2.431	70	20	DEID	
CCOCc1ccccc1CNC(=O)N1CCCN(CC)CC1	159617792	XZZSLDAZNXCFNA-UHFFFAOYSA-N	319.449	2.460	70	20	DEID	
CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)c1cc(C)c(C)o1	159631052	MCLWMGUSCVOMIU-ZYHUDNBSSA-N	310.419	2.326	70	20	DEID	
COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C)C[C@@H](C)C2)o1	159716882	IQDRLEXNZDDKRD-GHMZBOCLSA-N	315.391	2.123	70	20	DEID	
CC(=O)c1cccc(O[C@@H](C)C(=O)Nc2c[nH]c(=O)c(C)c2)c1	159546248	XRCOSILJCXWDMU-LBPRGKRZSA-N	314.341	2.292	70	20	DEID	
C[C@@H]1CC(=O)CC[C@H]1C(=O)NCc1ccc(N2CCCC2)nc1	159754091	LXQMKFRYYSZYJR-CZUORRHYSA-N	315.417	2.303	70	20	DEID	
CCc1cccc2c(CCNC(=O)[C@H]3CSCN3)c[nH]c12	159370071	JURFGVFSWGRWNV-CQSZACIVSA-N	303.431	2.052	70	20	DEID	
C#CCN(CC1CC1)C(=O)CCc1ccc(S(=O)(=O)F)cc1	1338775481	OHKFEWNGHCZRHV-UHFFFAOYSA-N	323.389	2.149	70	20	DEID	
O=C(N[C@H]1CCN(c2ccccn2)C1)c1cccnc1Cl	161407841	YLDKETJGNZVJAJ-NSHDSACASA-N	302.765	2.139	70	20	DEID	
Cc1cc(NCCCNC(=O)C(C)C)nc(-c2cccnc2)n1	161431284	KIVUUAJWQVRJRK-UHFFFAOYSA-N	313.405	2.421	70	20	DEID	
CNC(=O)c1ccc(NC(=O)N[C@@]2(C)CCOC2)cc1Cl	161455254	ZKVZHIKABDVJRC-AWEZNQCLSA-N	311.769	2.000	70	20	DEID	
CN(CC(=O)NC1CC1)C(=O)C1(Cc2ccccc2)CCC1	160112947	HGOVWOGMKILFHU-UHFFFAOYSA-N	300.402	2.136	70	20	DEID	
CC[C@@H](C)c1cc(C(=O)N2CCC[C@@H](c3nncn3C)C2)on1	160337741	CRQZJEUKCACIQV-VXGBXAGGSA-N	317.393	2.336	70	20	DEID	
Cc1nc2ccccn2c1CN1CCC[C@H](N2CCCC2=O)C1	160348423	XDSAZBDYTKPXSI-HNNXBMFYSA-N	312.417	2.230	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)CCC(=O)c1ccc(C)cc1	160365515	RGWGDHYOOIIXHX-CYBMUJFWSA-N	305.374	2.416	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)CCn1ccc2ccccc21	160536563	FDMVEIKZBSRCKF-ZDUSSCGKSA-N	302.374	2.489	70	20	DEID	
C[C@H](CC(=O)c1cccs1)NC(=O)[C@@H](C)NC(=O)C(C)(C)C	160880581	NGZNGMATCZUJBY-GHMZBOCLSA-N	324.446	2.376	70	20	DEID	
COCCCN(C)C(=O)Nc1ccc2c(c1)CCCN2C(C)=O	160886095	BDGNHZQJRAMKKK-UHFFFAOYSA-N	319.405	2.486	70	20	DEID	
COC(=O)[C@H](C)CS[C@@H]1CCCN(CC(F)(F)F)C1=O	159814301	GCOKFSABQMZVEY-RKDXNWHRSA-N	313.341	2.082	70	20	DEID	
CCC[C@H](N)C(=O)Nc1ccc(OCCCC(=O)OC)cc1	159830320	ZKASNBVQFLFBFO-AWEZNQCLSA-N	308.378	2.085	70	20	DEID	
COc1ccc([C@H](O)CNS(=O)(=O)c2ccc(C)cc2)cc1	159466262	KRVWHAVMIIJDCJ-MRXNPFEDSA-N	321.398	2.016	70	20	DEID	
CC[C@H]1CCC[C@@H]1NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1	159700015	JQFICNMECJJOJH-GUTXKFCHSA-N	304.390	2.323	70	20	DEID	
O=C(NC[C@@H]1Cc2ccccc2O1)N1CCOC2(CCCC2)C1	159925532	KBNZIFORKCZBQL-HNNXBMFYSA-N	316.401	2.345	70	20	DEID	
Cc1cc(NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)c[nH]c1=O	159531313	REMWTLAEXUGIAM-UHFFFAOYSA-N	312.304	2.465	70	20	DEID	
CC[C@H](c1ccncc1)N(C)S(=O)(=O)C[C@@H]1CCCCO1	159739763	MJEROMNFBDTODD-LSDHHAIUSA-N	312.435	2.363	70	20	DEID	
COC(=O)C1(N(C)CC(=O)Nc2ccc(C)cc2)CCCC1	159369499	XBZCELAEJMNOFR-UHFFFAOYSA-N	304.390	2.351	70	20	DEID	
CC1(C)C[C@@]1(C#N)NC(=O)CCc1ccc(S(=O)(=O)F)cc1	1338935373	YMSVXTCWQJSLAO-HNNXBMFYSA-N	324.377	2.086	70	20	DEID	
Cc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)F)c[nH]2)cc1	1336920271	GUADNDHIIOVKEK-JTQLQIEISA-N	310.350	2.472	70	20	DEID	
CCc1ccc2c(c1)CCN2C(=O)c1cc(S(=O)(=O)F)c[nH]1	1352885742	DHDIXILEZNJHRN-UHFFFAOYSA-N	322.361	2.438	70	20	DEID	
CCc1c(C(=O)NCC2(OC)CCOCC2)cnn1CC(C)C	161015164	YUJWBMDCZUNYCH-UHFFFAOYSA-N	323.437	2.027	70	20	DEID	
Cc1ncc(CNC(=O)c2cnn(C3CCOCC3)c2C)s1	161095936	XBEQFKYKXPSAGG-UHFFFAOYSA-N	320.418	2.238	70	20	DEID	
Cn1ccnc1CS(=O)(=O)Cc1c(F)cccc1Cl	161167161	KHUXTEVSTFQGML-UHFFFAOYSA-N	302.758	2.328	70	20	DEID	
CC(=O)N1CCC[C@@H]1C(=O)Nc1ccccc1-n1ccc(C)n1	161253033	LLYLJKYDOKHLOJ-MRXNPFEDSA-N	312.373	2.130	70	20	DEID	
CC(=O)NC1CCC(NCCN2c3ccccc3C[C@H]2C)CC1	161369001	ORYIKLDJJCPIKE-RWBZWWBESA-N	315.461	2.475	70	20	DEID	
O=C1Cc2cc(NC(=O)c3cnc(C(F)(F)F)nc3)ccc2N1	160660194	ZJZSHPJWKLAORO-UHFFFAOYSA-N	322.246	2.242	70	20	DEID	
CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)[C@H]1CCCNC1	160832352	ODARJPPBAONTGS-RDJZCZTQSA-N	322.424	2.343	70	20	DEID	
C[C@H](CC(=O)c1cccs1)NC(=O)c1n[nH]c2c1CCC2	160934106	QJCHGHHJSASOOA-SECBINFHSA-N	303.387	2.351	70	20	DEID	
Cn1c(C(=O)N[C@H]2CCOc3c(Cl)cccc32)cccc1=O	160936285	UMEJYMWHAOZCFW-LBPRGKRZSA-N	318.760	2.292	70	20	DEID	
O=C(C=C1CCC1)NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2	159431611	CLEKCLCZQDQFQC-CYBMUJFWSA-N	323.776	2.371	70	20	DEID	
CN(CCC1CC1)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2	159465406	CZRQXZHJOKRFBO-UHFFFAOYSA-N	303.362	2.306	70	20	DEID	
Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)[C@@H]2CCNC2)cc1	159537098	WHAPQMRHUFQZLC-GVDBMIGSSA-N	302.418	2.188	70	20	DEID	
CCc1nnc(C)cc1C(=O)Nc1ccc(S(=O)(=O)F)cc1	460091942	KZGYFHGBLNCFHM-UHFFFAOYSA-N	323.349	2.258	70	20	DEID	
CCN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)c1cccc(F)c1	1262673549	SCOMBPGITMPCJD-UHFFFAOYSA-N	314.313	2.479	70	20	DEID	
CC[C@H](C(=O)N[C@H](C)CCS(C)(=O)=O)c1ccc(F)cc1	161144533	UGNRVRZMNWDHPF-RISCZKNCSA-N	315.410	2.259	70	20	DEID	
O=C(Nc1cnn(CC(F)(F)F)c1)[C@@H]1C[C@H]2CCCC[C@@H]2N1	161191074	SQVHUISQDPGJSL-USWWRNFRSA-N	316.327	2.305	70	20	DEID	
COc1ccc(CNC(=O)N2CCO[C@@H](C)[C@H]2C)c(OC)c1	161375372	JQMDQBBPXRBGEW-NEPJUHHUSA-N	308.378	2.023	70	20	DEID	
Cc1ccc(-c2n[nH]c(NC(=O)c3ccc(=O)n(C)c3)c2C)o1	161425486	UGQQVUQITCMCAW-UHFFFAOYSA-N	312.329	2.238	70	20	DEID	
CO[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1cccc(SC)c1	160023451	ZHTQMEFYJFUKAQ-CHWSQXEVSA-N	308.403	2.031	70	20	DEID	
C[C@@H](O)C[C@H](CNC(=O)COCC(F)(F)F)c1ccccc1	160037490	NBKDDDSYLCFWSE-DGCLKSJQSA-N	319.323	2.236	70	20	DEID	
CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCc3c(OC)cccc32)c1	160174247	FKKXDVITQFLTOG-UHFFFAOYSA-N	374.462	2.411	70	20	DEID	
Cc1c(CNC(=O)NCCCCN2CCC(C)CC2)cnn1C	160257406	MKPYNUYDLLDRDA-UHFFFAOYSA-N	321.469	2.040	70	20	DEID	
Cn1cc(NC(=O)c2cc(-c3ccco3)[nH]n2)cc(Cl)c1=O	160601424	MASKYTIFGHXUFP-UHFFFAOYSA-N	318.720	2.274	70	20	DEID	
CCCOc1cccc(NC(=O)N(C)CCCC(=O)NC)c1	160618977	DAQAFPOAMHOFRP-UHFFFAOYSA-N	307.394	2.465	70	20	DEID	
C[C@H](O)CCN(C)C(=O)N[C@H]1CCO[C@H](c2ccccc2)C1	160798915	SGUHKQFVKBUONO-BPUTZDHNSA-N	306.406	2.319	70	20	DEID	
CCOC(=O)c1nnc(NC(=O)c2cc(C(C)C)on2)s1	160909480	VYIVGLXZTOZUBJ-UHFFFAOYSA-N	310.335	2.079	70	20	DEID	
CC[C@H](NC(=O)Nc1cnc2c(c1)c(C)nn2C)[C@@H]1CCCO1	160910939	WMUYZCSIEHNGSQ-KBPBESRZSA-N	317.393	2.356	70	20	DEID	
CCC[C@H]1CN(C(=O)NC[C@@H]2Cc3ccccc3O2)CCO1	159670861	QMKPCFAQUIWMQJ-GJZGRUSLSA-N	304.390	2.201	70	20	DEID	
Cc1nn(C)c(C)c1[C@H](OC(=O)c1cocn1)C(F)(F)F	159906003	GWXDBSOZNATSGM-JTQLQIEISA-N	303.240	2.485	70	20	DEID	
C[C@H]1CC(=O)CC[C@H]1C(=O)N(C)CC(=O)Nc1ccccc1	159921343	ZGQMNTAPOSABTB-SWLSCSKDSA-N	302.374	2.089	70	20	DEID	
COCc1cc(NC[C@H](O)COCC2CC2)nc(C(C)(C)C)n1	159736434	UJCADHLHAYHWNJ-AWEZNQCLSA-N	323.437	2.120	70	20	DEID	
CC(=O)c1cc(C(=O)N[C@H]2CCOC3(CCCC3)C2)n(C)c1	159555899	UGFUYLKMCUQZIU-AWEZNQCLSA-N	304.390	2.449	70	20	DEID	
CCCc1ccccc1NC(=O)C(=O)N[C@@H]1CCC[C@H]1OC	159965885	QRZGQMBDLQVILZ-HUUCEWRRSA-N	304.390	2.261	70	20	DEID	
O=C(N[C@@H]1C[C@@H]1C1CCCCC1)c1cc(S(=O)(=O)F)c[nH]1	1340081888	ILGKTWJAKCBMJQ-VXGBXAGGSA-N	314.382	2.372	70	20	DEID	
COC[C@@H](O)CCNC(=O)[C@H](C)Oc1ccc(C(C)C)c(C)c1	161002032	BKCQLTWFRGHSDC-GJZGRUSLSA-N	323.433	2.399	70	20	DEID	
C[C@H](CCO)NC(=O)NCCCSc1ccc(F)cc1	161142476	ZUOUGFSIBKRIGS-LLVKDONJSA-N	300.399	2.378	70	20	DEID	
Cc1cccc(-c2cncc(C(=O)NCCn3cnnc3C)c2)c1	161322765	BBITYJUBGMSNAV-UHFFFAOYSA-N	321.384	2.387	70	20	DEID	
CN(C[C@H]1CCCO1)C(=O)Nc1ccc(O[C@H]2CCOC2)cc1	160277906	FLVGEQIOQUVQBA-CVEARBPZSA-N	320.389	2.497	70	20	DEID	
COc1cccc(/C=C/C(=O)NC[C@H](C)CO)c1OC(F)F	160422984	XMUQRNCJDFITFW-FGEFZZPRSA-N	315.316	2.054	70	20	DEID	
COC[C@H](O)CCNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3	160830735	PIZWBKNNPXLROF-CYBMUJFWSA-N	316.401	2.174	70	20	DEID	
CN(CCCCNC(=O)N1CCC[C@@](C)(O)C1)c1ccccc1	160837328	ARNQEWURHPEVDP-GOSISDBHSA-N	319.449	2.459	70	20	DEID	
NC(=O)[C@@H](NC1CC=CC1)c1ccc(Br)cc1F	160891130	YVRYRYXDYJJUCM-LBPRGKRZSA-N	313.170	2.423	70	20	DEID	
N[C@H](CCC(=O)NCCCOC1CCOCC1)c1ccccc1	160939944	GLDJSGVVEKXTLA-QGZVFWFLSA-N	320.433	2.169	70	20	DEID	
O=C(NCc1ccc(O)c(Br)c1)[C@@H]1CCCCO1	160978170	RTQXLFVQVYBVNJ-LBPRGKRZSA-N	314.179	2.340	70	20	DEID	
CN(C)C1CCN(CCNc2nc(C(C)(C)C)ns2)CC1	159833563	BADSQARBUZWCGY-UHFFFAOYSA-N	311.499	2.274	70	20	DEID	
CCOc1ncccc1CNC(=O)c1ccc(CN(C)C)cc1	159653325	OHXBIIJWVLSXMH-UHFFFAOYSA-N	313.401	2.472	70	20	DEID	
C[C@@H](Oc1ccccc1)C(=O)N1CCC(NCC2CC2)CC1	159868083	AWXPZCJCVMVIMW-CQSZACIVSA-N	302.418	2.445	70	20	DEID	
COCCc1noc(CN2CCC[C@@H]2c2cccc(C)n2)n1	159723876	RFDNHDIOIIYEQA-CQSZACIVSA-N	302.378	2.299	70	20	DEID	
CCCN(CC)CCNC(=O)NC[C@H](C)c1c(C)noc1C	159959832	AKDLMHNIUFLTCY-LBPRGKRZSA-N	310.442	2.426	70	20	DEID	
CCC[C@@H](Nc1cnn(C)c(=O)c1Cl)C(=O)OC(C)(C)C	159991382	VDHZULKJSHNXHH-SECBINFHSA-N	315.801	2.356	70	20	DEID	
C[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)c1cccc(C#N)c1	1338813872	IEFCBKNTKACDNE-VIFPVBQESA-N	321.333	2.036	70	20	DEID	
CCc1n[nH]c(-c2ccccc2NC(=O)c2cnn(C)c2C)n1	161063529	RPSIAIXEGWFSHJ-UHFFFAOYSA-N	310.361	2.328	70	20	DEID	
CCCCN1CCCC[C@H]1CNC(=O)[C@@H]1CCn2ccnc2C1	161079034	WZKAMSYOAMTFJK-CVEARBPZSA-N	318.465	2.216	70	20	DEID	
CC[C@@H]1CCCC[C@H]1N(C)C(=O)CS(=O)(=O)CC(C)C	161119666	FJXLMDRHUHEXGJ-ZIAGYGMSSA-N	303.468	2.484	70	20	DEID	
CCOc1ccc(C(=O)CCC(=O)N[C@@H]2CCC[C@H](N)C2)cc1	161173957	RGUFFCYMIWZSBJ-LSDHHAIUSA-N	318.417	2.434	70	20	DEID	
COc1ccc(CNC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2N)cc1Cl	161492380	AOXRDLMYPXZJHI-AZHAFVHUSA-N	308.809	2.338	70	20	DEID	
CC(C)(C)c1nc2cc(NC(=O)C3(NC(N)=O)CC3)ccc2o1	160038927	QGTACXVFVPAVOK-UHFFFAOYSA-N	316.361	2.265	70	20	DEID	
COc1cc(/C=C/C(=O)N(C)[C@@H](C)CO)cc(Cl)c1OC	160514226	KRPAATOHKNZTQH-PORFMDCZSA-N	313.781	2.210	70	20	DEID	
CCOc1ccc(OCC(=O)N(C)Cc2cccn2C)cc1	160675782	LILLGRFAGZDRGB-UHFFFAOYSA-N	302.374	2.461	70	20	DEID	
CC[C@@H](C)OCC(=O)Nc1ccc(C)cc1OCC(=O)N(C)C	160876262	XJZZAFWLRPTBAJ-CYBMUJFWSA-N	322.405	2.216	70	20	DEID	
CCO[C@@H]1C[C@@H](N(C)C(=O)NCCCn2cccn2)C12CCC2	160932860	CNTUOLAMKZXVGQ-HUUCEWRRSA-N	320.437	2.262	70	20	DEID	
CC[C@H](NS(=O)(=O)[C@H](C)COC)c1ccc(F)cc1F	159627519	AHRQWKSHICLMKL-RNCFNFMXSA-N	307.362	2.370	70	20	DEID	
O=C1[C@@H](Sc2nncn2C2CC2)CCCN1CC(F)(F)F	159529471	QJXWRFTUZNOKNI-VIFPVBQESA-N	320.340	2.258	70	20	DEID	
COc1ccc(N(C)C(=O)[C@@H](C)Sc2nncn2C)cc1F	159770242	XULPKBZAASANKY-SECBINFHSA-N	324.381	2.106	70	20	DEID	
Cc1cc(CN(C)C(=O)CCNC(=O)C2CCCCC2)no1	159974812	MSYLCUJWPIFMEJ-UHFFFAOYSA-N	307.394	2.028	70	20	DEID	
C[C@H]1NCCN(C(=O)Cc2ccccc2Br)[C@@H]1C	217268422	VVJRVDBMKYFFQG-GHMZBOCLSA-N	311.223	2.200	70	20	DEID	
CCN1CCCC[C@H]1CNC1CCN(CC(F)(F)F)CC1	161167675	PFSSOZZRCJFKSG-AWEZNQCLSA-N	307.404	2.477	70	20	DEID	
C[C@H](N[C@H](C)C(=O)NCc1ccccc1)C1CCN(C)CC1	161216660	XSYGDWQEVQTQIG-LSDHHAIUSA-N	303.450	2.011	70	20	DEID	
CS[C@@H](C)CNC(=O)Nc1cccc(-c2ncn(C)n2)c1	161459069	FBFJQLDNZRDWJX-JTQLQIEISA-N	305.407	2.355	70	20	DEID	
C[C@@H](C(=O)N(C)[C@@H](C)CO)c1ccc(Br)s1	160423694	BPOPOYPRGCAPDX-JGVFFNPUSA-N	306.225	2.453	70	20	DEID	
CCOC(=O)CCc1ccc(NC(=O)[C@@H]2CC[C@H](N)C2)cc1	160490728	YVSGHUUSEOPSHQ-KGLIPLIRSA-N	304.390	2.248	70	20	DEID	
COc1ccc([C@H](C)NCC(=O)NCC(F)(F)F)c(F)c1	160530078	NBYQQFAIDZEGBD-QMMMGPOBSA-N	308.275	2.163	70	20	DEID	
Cc1cc(C)n(Cc2cccc(C(=O)N(C)[C@H](C)CO)c2)n1	160554013	NDVZNEQVFRVPBC-CQSZACIVSA-N	301.390	2.001	70	20	DEID	
CC(C)N1CCCN(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)CC1	160569030	CQGKEORPCKCSSS-CVEARBPZSA-N	309.454	2.070	70	20	DEID	
N[C@@H]1CCC[C@@H](NC(=O)C2(c3cccc(F)c3)CCOCC2)C1	160860316	ASCVTBWIPZOORK-HZPDHXFCSA-N	320.408	2.260	70	20	DEID	
COC(=O)c1ccc(CSCCN2CCOCC2)s1	159849030	JPUBNMAYZMQLCA-UHFFFAOYSA-N	301.433	2.100	70	20	DEID	
CC(=O)N1CC[C@@H](NC(=O)Cc2coc3cc(C)c(C)cc23)C1	159681052	MNFMQLXXBRGUKK-OAHLLOKOSA-N	314.385	2.329	70	20	DEID	
CN(CC(=O)Nc1cc(C(C)(C)C)nn1C)C[C@@H]1CCCCO1	159537205	SBLMBEXJFPTHBP-ZDUSSCGKSA-N	322.453	2.157	70	20	DEID	
COC(=O)[C@H]1CCCN(C(=O)NC[C@@H]2CCc3ccccc32)C1	159595884	ZOBSUSJJFRQHKF-GJZGRUSLSA-N	316.401	2.311	70	20	DEID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N[C@@H]1CCCSC1	1338834282	MMUJZUSLPIUNJO-SNVBAGLBSA-N	317.407	2.279	70	20	DEID	
CN(CCNCc1cn2ccccc2n1)C(=O)OC(C)(C)C	218315525	UVSBIBDUGPVOJT-UHFFFAOYSA-N	304.394	2.291	70	20	DEID	
CC(C)CCn1ccc(NC(=O)N[C@H]2CCCC[C@@H]2C(N)=O)n1	161193527	CGRAIOHRVIADQV-STQMWFEESA-N	321.425	2.095	70	20	DEID	
Cc1cnn(-c2ccc(NC(=O)[C@H]3CCCNC3)cc2F)c1	161233296	SJADMNYSJPDYAA-LBPRGKRZSA-N	302.353	2.258	70	20	DEID	
CCOCCCN1CC[C@H](NC(=O)NC2(C)CCC2)[C@H](C)C1	161304014	MITUMAAZBXXVTK-CABCVRRESA-N	311.470	2.365	70	20	DEID	
COc1ccc(NC(=O)[C@H]2C(=O)N(CC(C)C)N=C2C)cc1	160150522	ACEMBWUPIMBRDB-AWEZNQCLSA-N	303.362	2.124	70	20	DEID	
CCN(CC(=O)Nc1c(F)cccc1F)Cc1ccnn1C	160250386	HAEHKFWOYAZECE-UHFFFAOYSA-N	308.332	2.159	70	20	DEID	
O=C([C@H]1CCCCO1)N1CCC[C@H](NCc2ccccc2)C1	160378874	MEHZQZAMWAUCKX-DLBZAZTESA-N	302.418	2.336	70	20	DEID	
COC(=O)[C@H](C)CNC(=O)COc1cc(C)c(Cl)c(C)c1	160460333	KYZXTXNELOZDBT-LLVKDONJSA-N	313.781	2.261	70	20	DEID	
CCC(CC)(CNC(=O)N[C@H](C)C1CCOCC1)C(=O)OC	160466269	PMHOKUCSDWXVLJ-GFCCVEGCSA-N	314.426	2.080	70	20	DEID	
C[C@H](CO)N(C)C(=O)CCc1ccc(OC(F)(F)F)cc1	160529174	KBDKKLNQZAXLTE-SNVBAGLBSA-N	305.296	2.357	70	20	DEID	
O=C(Nc1ccn(CC(F)(F)F)n1)N1CC[C@]2(CCOC2)C1	160674831	AHFFFNVWPOMBNN-LBPRGKRZSA-N	318.299	2.090	70	20	DEID	
CC(C)[C@@H](CCO)NC(=O)[C@@H]1CCCN1Cc1ccccc1	160701827	DJCLZAQWBCAIQU-SJORKVTESA-N	304.434	2.174	70	20	DEID	
COC[C@@H](NC(=O)NCc1ccnc(OC(C)C)c1)C1CC1	160940756	VKHMVIKWWOIBLM-CQSZACIVSA-N	307.394	2.093	70	20	DEID	
COC(=O)[C@H](SCCN1CCOCC1)c1ccccc1F	159847197	YDMDKUSENWYQIJ-CQSZACIVSA-N	313.394	2.105	70	20	DEID	
CC[C@H]1CCCCN1C(=O)CNCC(CC)(CC)C(=O)OC	159664845	FAQVPFPUDZEMIR-AWEZNQCLSA-N	312.454	2.347	70	20	DEID	
O=C(CCNC(=O)c1cccc2[nH]cnc12)Nc1ccccc1	159532769	GHIAUEMGBUEFSQ-UHFFFAOYSA-N	308.341	2.322	70	20	DEID	
COc1cccnc1N(C)S(=O)(=O)c1cccc(C(C)=O)c1	159559699	BOSGGBVVKLHAFL-UHFFFAOYSA-N	320.370	2.118	70	20	DEID	
C[C@@H](CNC(=O)c1ccc(N(C)C)cc1F)CN1CCCC1	159377778	XLXOAFPMUQKWPH-ZDUSSCGKSA-N	307.413	2.353	70	20	DEID	
COc1cc(Cl)c(C(=O)NC[C@@H](O)C(C)(C)C)cc1OC	159386090	NJTXYYJGBPDFTL-CYBMUJFWSA-N	315.797	2.494	70	20	DEID	
C#C[C@H](NC(=O)CCc1ccc(S(=O)(=O)F)cc1)C(C)C	1340730796	NUIMEYCOOSBZEJ-AWEZNQCLSA-N	311.378	2.051	70	20	DEID	
CCN(CC(=O)Nc1c(C)cccc1C)C(=O)C[C@@H]1CCCN1	161062016	XZMGOBMYKKFHAB-HNNXBMFYSA-N	317.433	2.233	70	20	DEID	
Cc1cc(C)cc(NC(=O)CN2CCN(c3ccncc3)CC2)c1	161297227	UZSIHZXNLJVKIY-UHFFFAOYSA-N	324.428	2.459	70	20	DEID	
CN(CC1CCOCC1)C(=O)Nc1cnn(-c2ccccn2)c1	161477457	ZIPSIJTWTKCGOV-UHFFFAOYSA-N	315.377	2.158	70	20	DEID	
CC[C@@H](NC(=O)C(=O)Nc1nocc1C)c1ccc(OC)cc1	160056327	SATQHKCFESVNOX-CYBMUJFWSA-N	317.345	2.198	70	20	DEID	
CC(C)S(=O)(=O)c1ccccc1NC(=O)Nc1ccn(C)n1	160245634	LHJYAZVISSLREU-UHFFFAOYSA-N	322.390	2.246	70	20	DEID	
CCc1n[nH]c(=O)c(CNC(=O)NCC2(CC)CCC2)c1CC	160390909	LQNVJVUQKMTLCK-UHFFFAOYSA-N	320.437	2.274	70	20	DEID	
CCCC1(CNC(=O)c2ccccc2OCC(=O)N(C)C)CC1	160614696	IKUZHUANAOOQRF-UHFFFAOYSA-N	318.417	2.464	70	20	DEID	
O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)N1CCC2(CCC2)C1	160697603	MLNCELMXYMWBJR-LBPRGKRZSA-N	319.371	2.456	70	20	DEID	
COC[C@@H](C)NC(=O)Nc1ccc2c(c1)CCCN2C(C)=O	160836971	AWBOSTUIAZWXJF-LLVKDONJSA-N	305.378	2.142	70	20	DEID	
C[C@H](CCO)CNC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1	160901226	OQWHLVREWFPVAM-KBMXLJTQSA-N	306.406	2.224	70	20	DEID	
CCC(O)(CC)CNC(=O)NC[C@@H]1CCCCN1CC(C)C	160959137	IFWYBQCBEUATRP-HNNXBMFYSA-N	313.486	2.347	70	20	DEID	
CC(C)N1C(=O)C[C@@H](NC(=O)c2ccc(C(C)(C)C)s2)C1=O	159634294	KOXHQPPVVCEBJI-SNVBAGLBSA-N	322.430	2.311	70	20	DEID	
COC1(C(=O)NCC(C)(C)Cc2ccccc2)CCNCC1	159489174	HBKXAKDFXKIEKX-UHFFFAOYSA-N	304.434	2.140	70	20	DEID	
Cc1c(Cl)cccc1OCC(=O)N1C[C@@H]2CCC[C@H](C1)N2	159681374	UYGYHWKFFFPZQX-BETUJISGSA-N	308.809	2.380	70	20	DEID	
Cc1ccccc1-n1ncc(C(=O)NC[C@@H](O)C(C)C)c1C	159687709	KNMUVYACQOHHTM-MRXNPFEDSA-N	301.390	2.236	70	20	DEID	
O=C1CC[C@H]2CN(C(=O)c3cc(Cl)c(Cl)[nH]3)CC[C@@H]2N1	160568682	XAGBKJBDNDMCTN-CBAPKCEASA-N	316.188	2.062	70	20	DEID	
COC(=O)c1ccccc1S(=O)(=O)NCC1CCCCC1	217721811	XWBXAGLAXAOHLB-UHFFFAOYSA-N	311.403	2.332	70	20	DEID	
COc1cc2c(cc1CNC[C@@](C)(O)CSC)O[C@@H](C)C2	217847657	ZMXOSJNIQCRNOL-MEDUHNTESA-N	311.447	2.222	70	20	DEID	
O=C(N[C@@H]1C=CCC1)c1cc(S(=O)(=O)F)ccc1Cl	1337478827	HKPRZMWVVPISPB-MRVPVSSYSA-N	303.742	2.447	70	20	DEID	
CCN(Cc1cnn(C)c1)[C@H](C)C(=O)NCc1ccccc1C	161115285	XQVOYLOOVOEJHN-OAHLLOKOSA-N	314.433	2.255	70	20	DEID	
CC(C)N(C(=O)[C@@H](C)Sc1ncnc2[nH]cnc12)C(C)C	161365715	CKKRNAKSVJHRPS-SNVBAGLBSA-N	307.423	2.479	70	20	DEID	
CN(C(=O)C[S@](=O)c1ncc(C(C)(C)C)s1)C1CC1	160430586	CXIFSVXFTLRYTL-LJQANCHMSA-N	300.449	2.169	70	20	DEID	
O=C1CCCC[C@@H]1[C@@H]1COCCN1C(=O)c1cccc(Cl)n1	160482593	NILLJFCQKNQJST-YPMHNXCESA-N	322.792	2.335	70	20	DEID	
CCOC(=O)CCCNC(=O)N[C@H](C)C[C@@H](O)c1ccccc1	160534447	KZZBBVUTRDQUEX-UKRRQHHQSA-N	322.405	2.141	70	20	DEID	
CCOCCC1(CNC(=O)c2c(C)nn3cccnc23)CCC1	160700459	AMTXMBOAADVYTI-UHFFFAOYSA-N	316.405	2.364	70	20	DEID	
CC[C@@H](O)CCNC(=O)NCc1ccnc(OC2CCCC2)c1	160961407	KLWYVUIQLMQUBY-CQSZACIVSA-N	321.421	2.363	70	20	DEID	
COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H]3CCCC[C@@H]32)cc1	159800879	YJLUJQZQGFKXGG-WFASDCNBSA-N	323.414	2.426	70	20	DEID	
CNC[C@H](C)C(=O)Nc1ccc(OCC2CCOCC2)cc1	159414967	ATQHDRSRIAVRGP-ZDUSSCGKSA-N	306.406	2.286	70	20	DEID	
CN(Cc1ccccc1N1CCCC1)C(=O)C[C@@H]1COC(=O)C1	159416122	NJZUFCOCNUDJGC-AWEZNQCLSA-N	316.401	2.198	70	20	DEID	
Cc1cc(NC(=O)c2cc(Br)cn2C)c[nH]c1=O	159613642	JIRQZJSPVFJVPA-UHFFFAOYSA-N	310.151	2.037	70	20	DEID	
O=S(=O)(Cc1cc(Cl)cc(Cl)c1)N1CCC[C@H]1CO	159839428	ASJLAMMKIIQVGB-LBPRGKRZSA-N	324.229	2.280	70	20	DEID	
COCCCOc1ccc(C(=O)Nc2c[nH]c(=O)c(C)c2)cc1	159676796	DTRZEYVKDMHCIJ-UHFFFAOYSA-N	316.357	2.351	70	20	DEID	
C[C@H](CNC(=O)NC1C[C@@H](C)O[C@H](C)C1)CN1CCCCC1	159756551	BZWADMABFDPIAZ-RBSFLKMASA-N	311.470	2.364	70	20	DEID	
O=C(N[C@H]1CCOC2(CCCC2)C1)[C@H]1COc2ccccc2O1	159391161	MKCAAJNGMMBICL-XJKSGUPXSA-N	317.385	2.434	70	20	DEID	
CCC(C)(C)OCC(=O)Nc1cccc(S(=O)(=O)F)c1	460097948	YJBSTISXGAJIKP-UHFFFAOYSA-N	303.355	2.489	70	20	DEID	
CO[C@@H](CNC(=O)c1cccc(S(=O)(=O)F)c1)CC(C)C	1121094961	MHIKOWCJPJJIJR-GFCCVEGCSA-N	317.382	2.136	70	20	DEID	
O=C(OCCOC1CCC1)c1cccc(S(=O)(=O)F)c1	1334329280	AVVXGUVKDAYKJV-UHFFFAOYSA-N	302.323	2.071	70	20	DEID	
Cc1ccccc1[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1338066767	DOUDQQCSHFEKTJ-SNVBAGLBSA-N	310.350	2.472	70	20	DEID	
CCn1cc(S(=O)(=O)Nc2cnc(Cl)c(C)c2)nc1C	218218509	YWWCCTBBIOLSLK-UHFFFAOYSA-N	314.798	2.369	70	20	DEID	
CCCCCCC(=O)N[C@H](C)c1cccc(S(N)(=O)=O)c1	161179678	PLEQDTRIUSDSHN-GFCCVEGCSA-N	312.435	2.482	70	20	DEID	
CCc1c(C(=O)N[C@@H]2CCC[C@H](N)C2)cnn1-c1ccccc1	161502045	BRBWSKUBFKGHMR-UONOGXRCSA-N	312.417	2.434	70	20	DEID	
CCc1nn(C)c(Cl)c1C(=O)NCCN1CCC[C@H](C)C1	160497395	ZVTKDFHLZXWPOI-NSHDSACASA-N	312.845	2.098	70	20	DEID	
C[C@@H](Cc1cccc(Cl)c1)C(=O)N(C)CC(=O)NC1CC1	160736400	OQHYNLWNNJTGSX-NSHDSACASA-N	308.809	2.256	70	20	DEID	
C[C@@H](C(=O)N[C@@H]1CCCC[C@@H]1C(N)=O)c1c(F)cccc1F	160736853	CVCODHSFVOVDSC-GBIKHYSHSA-N	310.344	2.229	70	20	DEID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)c1ccc([N+](=O)[O-])o1	122985478	CCMNDAWQBFCQSL-UHFFFAOYSA-N	314.250	2.098	70	20	DEID	
CC1CCC(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1262673169	BTPUALVTYZNTHK-UHFFFAOYSA-N	302.371	2.229	70	20	DEID	
C[C@@H]1C[C@@H](C)CN(CCCNC(=O)NOCc2cccnc2)C1	161075548	SSCMFWAEZJBEAI-HUUCEWRRSA-N	320.437	2.180	70	20	DEID	
CSc1nc(C(C)C)nc(C)c1C(=O)N[C@@H]1CCC[C@H]1O	161122802	JOANXUYYWCRZCF-GHMZBOCLSA-N	309.435	2.274	70	20	DEID	
CC1(NC(=O)NCCCNC(=O)c2cccc(F)c2)CCC1	161123132	WBALQVBILFQXPV-UHFFFAOYSA-N	307.369	2.187	70	20	DEID	
CCOc1ccc(C(=O)N[C@@H]2CCC[C@@H](N)C2)cc1OCC	161402121	XZHBBBUHWUXCCY-ZIAGYGMSSA-N	306.406	2.484	70	20	DEID	
O=C(C1CC=CC1)N1CCN(Cc2nc3ccccc3[nH]2)CC1	160037796	IJGGHFBXICNYNZ-UHFFFAOYSA-N	310.401	2.173	70	20	DEID	
CCN(CC)[C@H](C)CNC(=O)c1cc2c([nH]c1=O)CCCCC2	160067769	GGMHRJGQEDGBEF-CYBMUJFWSA-N	319.449	2.104	70	20	DEID	
CCCCN(C)S(=O)(=O)NCCOc1ccccc1Cl	160085609	QXXBQFAVXJMPJW-UHFFFAOYSA-N	320.842	2.285	70	20	DEID	
CN(Cc1nccn1C)C(=O)c1csc([C@H]2CCCO2)n1	160091584	CZGRZBNWIFVELJ-LLVKDONJSA-N	306.391	2.000	70	20	DEID	
O=C(Nc1cccc(-c2nnnn2C2CC2)c1)[C@H]1CCCCO1	160499100	KMHVOFXWWVXWDD-CQSZACIVSA-N	313.361	2.183	70	20	DEID	
Cc1nc(Cc2ccccc2)sc1C(=O)N(C)[C@@H](C)CO	160525231	IWQVBENFNNGDLQ-NSHDSACASA-N	304.415	2.495	70	20	DEID	
CCC(CC)CNC(=O)N1CCN([C@H](C)c2nc(C)no2)CC1	160562631	MCEZHGAFTNAGPH-GFCCVEGCSA-N	323.441	2.202	70	20	DEID	
COc1ccc([C@@H](C)[C@@H](C)NCC(=O)NCC(F)(F)F)cc1	160586689	YZENRXCMZLLDKX-WDEREUQCSA-N	318.339	2.455	70	20	DEID	
Cc1conc1NC(=O)C(=O)N(C)CCCCc1ccccc1	160620075	WUQQZJJQMRROHR-UHFFFAOYSA-N	315.373	2.403	70	20	DEID	
CC(C)C[C@H](CO)NC(=O)c1cnn(-c2ccccc2F)c1	160692488	GNEWVGUJRHBQKL-CYBMUJFWSA-N	305.353	2.148	70	20	DEID	
Cc1ccc(-n2nnc(C(=O)N(C)Cc3cccn3C)c2C)cc1	160706486	BSTGKJCUINALJT-UHFFFAOYSA-N	323.400	2.495	70	20	DEID	
CC(=O)c1cccc(NC(=O)[C@H](C)Nc2cc(C)n(C)n2)c1	159619464	YOQZAUWJECBGKU-NSHDSACASA-N	300.362	2.370	70	20	DEID	
C[C@@H](NCc1cn2ccccc2n1)c1ccc(-n2cnnn2)cc1	159439872	IKBRVLMWQNPNGD-CYBMUJFWSA-N	319.372	2.161	70	20	DEID	
CC(C)(C)c1ccccc1OCCNC(=O)[C@H]1CSCN1	159511783	GXLANLVEHLNEBZ-CYBMUJFWSA-N	308.447	2.142	70	20	DEID	
COC(=O)C(C)(C)CNC(=O)c1cn(C)nc1-c1cccs1	159724936	SBZWZQZEIKVVEK-UHFFFAOYSA-N	321.402	2.078	70	20	DEID	
COc1ccsc1S(=O)(=O)Nc1ccc(N(C)C)cn1	159728401	LKNXZEXBMYXSPF-UHFFFAOYSA-N	313.404	2.019	70	20	DEID	
CC(C)CCn1ccc(NC(=O)NCCCO[C@@H]2CCOC2)n1	159927790	YLFCLZDAPGTLRA-CQSZACIVSA-N	324.425	2.246	70	20	DEID	
COc1cccc(CNC(=O)N(CCO)Cc2ccccc2)c1	217314629	JJYLLUBFBALSQP-UHFFFAOYSA-N	314.385	2.399	70	20	DEID	
C[C@H]1C[C@@H](C)O[C@@H]1C(=O)Nc1ccc(S(=O)(=O)F)cc1	283615715	UWIMDGHTMLBPDS-SBMIAAHKSA-N	301.339	2.097	70	20	DEID	
O=C(NC[C@@H]1CCCCS1)c1ccc(S(=O)(=O)F)cc1	865209994	NVUYHWPMDIVLGB-NSHDSACASA-N	317.407	2.360	70	20	DEID	
C[C@@H]1O[C@H](C)[C@H](C(=O)Nc2ccc(S(=O)(=O)F)cc2)[C@@H]1C	875551423	VEWRZDIGVZRGBM-BSTOTGJRSA-N	315.366	2.343	70	20	DEID	
O=C(Nc1ccc(F)c(F)c1F)c1cc(S(=O)(=O)F)c[nH]1	1120866663	VTLIEJHMMCYWLZ-UHFFFAOYSA-N	322.239	2.343	70	20	DEID	
CC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)cc1	1336413427	MXNIAPGQZLYWDY-UHFFFAOYSA-N	310.306	2.128	70	20	DEID	
O=C(N[C@H]1C[C@@H]1Cc1ccccc1)c1cc(S(=O)(=O)F)c[nH]1	1338391252	YDORHDDKNOXBSA-AAEUAGOBSA-N	322.361	2.034	70	20	DEID	
CC(C)C(=O)Nc1ccc(C(=O)N[C@@H]2CCC[C@@H](N)C2)cc1	161114694	QYYZYUVKEOKCMV-UKRRQHHQSA-N	303.406	2.281	70	20	DEID	
Cc1conc1NC(=O)C(=O)N1C[C@H](c2ccccc2)C[C@H]1C	161214217	UIQGENQCISUMLE-TZMCWYRMSA-N	313.357	2.326	70	20	DEID	
C[C@H](CC(=O)Nc1cc(C2CCOCC2)[nH]n1)[C@H]1CCCNC1	161331773	VUNTXZNRMULNQZ-OCCSQVGLSA-N	320.437	2.268	70	20	DEID	
COC[C@H]1CCCN(C(=O)c2cc3c([nH]c2=O)CCCCC3)C1	160202205	GZTITLQIRJGNOQ-ZDUSSCGKSA-N	318.417	2.142	70	20	DEID	
COC(=O)c1ccc(NC(=O)N2CCC[C@@H]([C@@H](C)O)C2)cc1F	160419904	MUBPDFJHGCVFCN-GHMZBOCLSA-N	324.352	2.237	70	20	DEID	
NC(=O)c1ccc(C(=O)N[C@@H]2CCCc3sccc32)nc1	160441766	PVCIQGRMQJHEFJ-LLVKDONJSA-N	301.371	2.049	70	20	DEID	
CNC(=O)c1cccc(CNC(=O)N2CC[C@@H](C)[C@H](C)C2)c1	160477939	TUIMXOARRCKWBU-CHWSQXEVSA-N	303.406	2.234	70	20	DEID	
C[C@@H]1CC(=O)CC[C@@H]1C(=O)NCc1cccc2c1OCCCO2	160590810	PWWXXMWLNXNFOS-DOMZBBRYSA-N	317.385	2.469	70	20	DEID	
COCCN(CCO)C(=O)c1cc2c(s1)CCCCCC2	160625840	PGFCNGQQFZTRMH-UHFFFAOYSA-N	311.447	2.488	70	20	DEID	
CCN(CCc1ccccc1)C(=O)C(=O)Nc1nocc1C	160628085	XULOBHCSSQWWBT-UHFFFAOYSA-N	301.346	2.013	70	20	DEID	
O=C(CCn1ccccc1=O)Nc1cccc(OCCF)c1	160632072	UZMACJIUMBKZKZ-UHFFFAOYSA-N	304.321	2.225	70	20	DEID	
O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)N1CCC(CO)CC1	160865839	GKKJUTWFAXYOCS-DLBZAZTESA-N	318.417	2.321	70	20	DEID	
Cc1nc(-c2c[nH]c(C(=O)N(CC(N)=O)CC(C)C)c2)cs1	159768469	VDAFSVFSOGQEEH-UHFFFAOYSA-N	320.418	2.030	70	20	DEID	
CC(C)(C)NCCC(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	906051734	FCLJOBLGYPJOJP-UHFFFAOYSA-N	320.361	2.201	70	20	DEID	
CC1(C)C[C@@H](NC(=O)c2cccc(S(=O)(=O)F)c2)CCO1	1121094765	KQGBCTWVUNMAIM-NSHDSACASA-N	315.366	2.032	70	20	DEID	
CC(C)CN(CC(C)C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1348648007	ZESFYDUPSBWSPI-UHFFFAOYSA-N	304.387	2.427	70	20	DEID	
CCC(C)(C)N(CCC#N)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1354908975	IDQVZODGTNKMMT-UHFFFAOYSA-N	315.370	2.217	70	20	DEID	
C[C@H](NC(=O)C(=O)Nc1cccc2[nH]ccc12)C1CCOCC1	161132029	ZDBYAXWHJDATMV-NSHDSACASA-N	315.373	2.038	70	20	DEID	
CN1N=C(C(=O)Nc2scnc2-c2ccccc2)CCC1=O	161428261	DYIQDCNURSLKKC-UHFFFAOYSA-N	314.370	2.357	70	20	DEID	
CSC[C@@H]1CCCN1C(=O)c1cccc(-n2ccnn2)c1	160111423	LVAMHSFVUCUWRF-AWEZNQCLSA-N	302.403	2.235	70	20	DEID	
Cc1cccc([C@H](NC(=O)c2nccnc2N)c2ccccn2)c1	160111818	MSRMGAOXFCQZFO-HNNXBMFYSA-N	319.368	2.282	70	20	DEID	
C[C@H](CN1CCCCC1)NC(=O)N(CCN(C)C)C1CCCC1	160304301	NAKHFUKZOHSCPW-MRXNPFEDSA-N	324.513	2.377	70	20	DEID	
COC(=O)c1ccc(CCC(=O)N(C)Cc2cccn2C)cc1	160568700	GXWHILAVSHVGBS-UHFFFAOYSA-N	314.385	2.403	70	20	DEID	
CC(C)(C)C(=O)NCC(=O)N[C@H]1CCOC2(CCCCC2)C1	160582503	ZGNGNLGXSQXPGK-ZDUSSCGKSA-N	310.438	2.147	70	20	DEID	
CC(C)C1(CNC(=O)N2CCN(Cc3ccccn3)CC2)CC1	160631068	BIDKGHFFQAFLAJ-UHFFFAOYSA-N	316.449	2.345	70	20	DEID	
Cc1c(/C=C/C(=O)NCC(C)(C)N2CCC[C@@H](C)C2)cnn1C	160897512	JMVYQZKEWPPNJR-MYSGNRETSA-N	318.465	2.368	70	20	DEID	
CC[C@H](C)OCC(=O)Nc1cccc(CN2CCOCC2)c1	160927683	BWGOUUKJAYLJEU-AWEZNQCLSA-N	306.406	2.272	70	20	DEID	
COc1ccsc1C(=O)NC[C@]1(O)CCc2ccccc21	159410031	XRBVGUIPZZYHNM-MRXNPFEDSA-N	303.383	2.321	70	20	DEID	
CCCC1(CNC(=O)N[C@H](C(N)=O)c2ccccc2)CCC1	159618203	UMMXAGKXAHOGDF-AWEZNQCLSA-N	303.406	2.483	70	20	DEID	
CC(C)NC(=O)Nc1ccccc1S(=O)(=O)NC(C)(C)C	159365734	JHUCZAWOJGBRNA-UHFFFAOYSA-N	313.423	2.293	70	20	DEID	
COCCN(C)CCN[C@H](C)c1cccc(N2CCCC2=O)c1	159373850	HPTFNYOFQIFMOS-OAHLLOKOSA-N	319.449	2.042	70	20	DEID	
Cc1ccccc1NC(=O)[C@@H](C)SCCN1CCOCC1	159796712	HHFZQZCOHUKAQE-CQSZACIVSA-N	308.447	2.387	70	20	DEID	
CN(CCc1nccs1)S(=O)(=O)c1ccc(Cl)nc1	159633150	OZQPDMKIJQPVJX-UHFFFAOYSA-N	317.823	2.055	70	20	DEID	
COC[C@H](C)[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)F)c1	460091108	JCDZCNYHMIKLIR-VHSXEESVSA-N	303.355	2.202	70	20	DEID	
C[C@@]1(C(=O)Nc2ccc(S(=O)(=O)F)cc2)CCCCO1	460098372	ZUSWEANPHVSOOH-ZDUSSCGKSA-N	301.339	2.243	70	20	DEID	
O=C(Nc1cccc2c1OCO2)c1ccc(S(=O)(=O)F)cc1	864241244	ONNUVLCCIVYHOA-UHFFFAOYSA-N	323.301	2.326	70	20	DEID	
N#CCN(C(=O)c1cc(S(=O)(=O)F)ccc1Cl)C1CC1	1337562497	INUYXYCHEPEHCS-UHFFFAOYSA-N	316.741	2.126	70	20	DEID	
O=C(c1cccc(S(=O)(=O)F)c1)N1CCCc2ncccc21	1262672510	ATNBZKTVLHLNKS-UHFFFAOYSA-N	320.345	2.333	70	20	DEID	
CCCC[C@H](COC)NC(=O)c1cccc(S(=O)(=O)F)c1	1340088415	NYZDZVRBAXVABI-GFCCVEGCSA-N	317.382	2.280	70	20	DEID	
O=[N+]([O-])c1cc(Br)ccc1CS(=O)(=O)Cl	164828339	GUXYENHEWIKUAF-UHFFFAOYSA-N	314.544	2.426	70	20	DEID	
CCOc1ccc(C(=O)CCC(=O)NC[C@@H](C)CCO)cc1	161022138	QNDXDOIDIXCOSE-ZDUSSCGKSA-N	307.390	2.183	70	20	DEID	
CC(C)CCNC(=O)N(C)Cc1nc2ccsc2c(=O)[nH]1	161126124	VQWFYXQRHMOTNZ-UHFFFAOYSA-N	308.407	2.172	70	20	DEID	
CC[C@H](C(=O)NCCCc1nc2c(s1)CCCC2)N(C)C	161359364	UGZHKDIATULDNM-CYBMUJFWSA-N	309.479	2.411	70	20	DEID	
CC(C)(C)OC(=O)CCN1CCC[C@H](c2nnc3n2CCC3)C1	161394564	MUZAEXUVHXCLPE-ZDUSSCGKSA-N	320.437	2.136	70	20	DEID	
Cc1cc(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)ncn1	161445626	NHHFWUJVQHTAIH-UHFFFAOYSA-N	324.384	2.276	70	20	DEID	
CC(C)C[C@@H](CO)NC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1	160175033	JOZUPYFCVNXWOT-GOEBONIOSA-N	322.405	2.383	70	20	DEID	
Cc1nc(CCN[C@H](C)c2nnnn2-c2ccccc2)cs1	160271970	NZWZUCXWDBBRNW-LLVKDONJSA-N	314.418	2.321	70	20	DEID	
CCC(CC)[C@@H](CNC(=O)NCC[C@H](O)CC)N1CCCC1	160902391	XLZMKLPCYVAAOA-HZPDHXFCSA-N	313.486	2.347	70	20	DEID	
CN(CCNC(=O)c1cccc(-n2ccnn2)c1)c1ccccc1	160932591	NDGTWCOKMSVNBC-UHFFFAOYSA-N	321.384	2.134	70	20	DEID	
CC[C@@H](c1ccccc1)N(CC(=O)NCC(C)C)CC(=O)OC	159661789	HOZCGTXNFOXMHF-INIZCTEOSA-N	320.433	2.385	70	20	DEID	
CCC(=O)N1CCCC[C@H]1C(=O)N[C@@H]1CCOC2(CCCC2)C1	159734044	ZOQPGEBLAGPDAR-CABCVRRESA-N	322.449	2.386	70	20	DEID	
Cc1ccc(F)cc1S(=O)(=O)NC[C@@H](O)C1CCCCC1	159552362	SLUDOYBPRKJWOY-CQSZACIVSA-N	315.410	2.354	70	20	DEID	
Cn1nccc1CNC(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)F	159584704	DSFDZRJSDDSZFG-CHWSQXEVSA-N	321.327	2.441	70	20	DEID	
COC(=O)CCCc1csc(NC(=O)[C@@H]2CCSC2)n1	160036800	POWCOQJAROCKFH-SECBINFHSA-N	314.432	2.330	70	20	DEID	
COc1ccccc1CCNC(=O)NCCc1ccc(O)cc1	217315768	OVYHJVFSRLMJEV-UHFFFAOYSA-N	314.385	2.485	70	20	DEID	
CO[C@@H](C)CN(C)C(=O)c1cc(S(=O)(=O)F)ccc1Cl	1338923836	HUMKUFKFAJBYFI-QMMMGPOBSA-N	323.773	2.105	70	20	DEID	
CCNCC1CCN(C(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)CC1	161013849	AFPRDSKZOYIKIE-XYPWUTKMSA-N	306.450	2.230	70	20	DEID	
CC(C)(C)S(=O)(=O)CC(=O)Nc1cccc(N2CCCC2)c1	161077704	TVSFKAKCAPVYRG-UHFFFAOYSA-N	324.446	2.439	70	20	DEID	
Cc1noc(C)c1[C@H](C)CNC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1	160000281	MAVRBKFYVHEHGF-SUNKGSAMSA-N	320.437	2.319	70	20	DEID	
COC1(CNC(=O)N2CCc3cccc(F)c3C2)CCOCC1	160158993	PDDBFYFYDVLNRM-UHFFFAOYSA-N	322.380	2.089	70	20	DEID	
COc1ccc([C@H](O)CNC(=O)Cc2nc(C)sc2C)cc1	160234193	ZCRZKKBPLCKGKC-OAHLLOKOSA-N	320.414	2.161	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)[C@H]1SCCc2ccccc21	160234728	OLKIKUHBNQCRCD-NHYWBVRUSA-N	307.415	2.475	70	20	DEID	
CCc1n[nH]c(=O)c(CNC(=O)N(C)CC(C)(C)C)c1CC	160305089	CGWDLIFVBDTHOH-UHFFFAOYSA-N	308.426	2.082	70	20	DEID	
Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(C(N)=S)cc1)CO2	160367638	NVLWRWOJKZNZIJ-AWEZNQCLSA-N	312.394	2.493	70	20	DEID	
COCCCCNC(=O)N1CCC[C@@H]1C[C@H](O)c1ccco1	160378717	YWOYJDBAJMMFSV-KGLIPLIRSA-N	310.394	2.304	70	20	DEID	
Cc1ccc(-c2nnc(NC(=O)c3cc(C(C)C)n(C)n3)[nH]2)o1	160384035	BTOPBHZYYLGBOV-UHFFFAOYSA-N	314.349	2.482	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)c1cc(-c2ccc(C)cc2)n[nH]1	160402376	KALHKGCTBBQDLO-LBPRGKRZSA-N	315.373	2.457	70	20	DEID	
Cc1nc2n(n1)C[C@@H](N[C@H]1CCCc3nc(C)sc31)CC2	160505058	KIZXUJOPGICERG-AAEUAGOBSA-N	303.435	2.333	70	20	DEID	
CCOc1ccccc1OCC(=O)N(C)Cc1cccn1C	160597281	NPINIHQCQRFNTE-UHFFFAOYSA-N	302.374	2.461	70	20	DEID	
CC(=O)c1cccc(O[C@@H](C)C(=O)N[C@H](CCO)C(C)C)c1	160752430	RMAMCCSEINECTL-XJKSGUPXSA-N	307.390	2.180	70	20	DEID	
CCCn1ncc(C(=O)NCc2cnn(C)c2C)c1C1CC1	159408313	ZRILDTLKXFTRSS-UHFFFAOYSA-N	301.394	2.142	70	20	DEID	
CO[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(SC)cc1	159875930	JDOVIHBJAHNTOM-CHWSQXEVSA-N	308.403	2.031	70	20	DEID	
Cc1onc(-c2ccccn2)c1C(=O)NCC1CCN(C)CC1	159912800	BUEDPCFFBARTFG-UHFFFAOYSA-N	314.389	2.117	70	20	DEID	
CC(=O)N1CC[C@@H](NC(=O)[C@H](C)CSc2ccccc2)C1	159741226	VSPKHYBTKLHIHG-TZMCWYRMSA-N	306.431	2.152	70	20	DEID	
COC(=O)C1(N(C)Cc2cc3ccccc3[nH]c2=O)CCCC1	159364092	WYSNASCXGFIBMU-UHFFFAOYSA-N	314.385	2.446	70	20	DEID	
CCOCCC1(CNC(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)CC1	159998375	PZFPFOUZSMZDRP-UONOGXRCSA-N	309.454	2.118	70	20	DEID	
O=C(C[C@@H]1CCCCO1)Nc1ccc(S(=O)(=O)F)cc1	123000589	ZPMFNLIBSFXACV-NSHDSACASA-N	301.339	2.243	70	20	DEID	
CC(C)CN(C)C(=O)CCc1ccc(S(=O)(=O)F)cc1	1336980995	JCUTTYCKUQRLTD-UHFFFAOYSA-N	301.383	2.392	70	20	DEID	
CC(C)OC(=O)c1ccn(CC(=O)N(C(C)C)C(C)C)c(=O)c1	161042344	QGTWUYOGSCKEHH-UHFFFAOYSA-N	322.405	2.059	70	20	DEID	
Cc1cc(F)ccc1NC(=O)N(CCS(C)(=O)=O)C1CC1	160124847	UGUBEQPCZBYXAK-UHFFFAOYSA-N	314.382	2.175	70	20	DEID	
CCCN(CCO)C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1	160214039	UZCZFCUOGVYKCR-RDJZCZTQSA-N	319.449	2.063	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)c1cccc(-c2nnc(C)o2)c1	160325866	CXJQLVLHWLJDPN-SNVBAGLBSA-N	317.345	2.117	70	20	DEID	
CN1CCC(NC(=O)N2CCC[C@H](Nc3ccccc3)C2)CC1	160713945	WCLUZJXOOKMCHP-KRWDZBQOSA-N	316.449	2.367	70	20	DEID	
CCCCNc1ccccc1C(=O)N1CCN(C(C)=O)CC1	160973601	XDLXUZYQVWSXBE-UHFFFAOYSA-N	303.406	2.203	70	20	DEID	
C[C@H]1CC[C@H](NC(=O)c2cc(C(N)=O)cn2C)c2ccccc21	159609741	DYNSXHIPXIPBCG-NHYWBVRUSA-N	311.385	2.492	70	20	DEID	
CCc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)NCc2ccco2)o1	159488176	RWDSGXHCLVVZPO-BCPZQOPPSA-N	316.357	2.269	70	20	DEID	
CCN(CCS(C)(=O)=O)C(=O)Nc1ccc(F)c(F)c1F	159881300	RDBSYMVTPPIYAN-UHFFFAOYSA-N	324.324	2.002	70	20	DEID	
C[C@]1(NC(=O)Nc2ccc(N3CCCC3=O)cc2)CCOC1	159714485	YBXRIGFPDSYOGV-INIZCTEOSA-N	303.362	2.114	70	20	DEID	
CCN1CCCN(C(=O)NC[C@@H](C)Oc2cccc(F)c2)CC1	159916794	HLHGAGWYMZFOTH-CQSZACIVSA-N	323.412	2.330	70	20	DEID	
CCCCS(=O)(=O)N1CCO[C@@]2(CCc3ccccc32)C1	159734159	VBZAVBIVMSEVIY-INIZCTEOSA-N	309.431	2.290	70	20	DEID	
CCc1ccc(NC(=O)N(CCS(C)(=O)=O)C2CC2)cc1	159939577	SSYAPFVVZWDYRI-UHFFFAOYSA-N	310.419	2.290	70	20	DEID	
C[C@H](NC(=O)NC[C@](C)(O)c1ccc(F)cc1)c1ccccn1	159360970	GJGOOVDWJPOYPN-SJCJKPOMSA-N	317.364	2.489	70	20	DEID	
CC(C)OCCN[C@H]1CCS(=O)(=O)c2ccc(F)cc21	160038988	FALIGUBYMDECTR-ZDUSSCGKSA-N	301.383	2.059	70	20	DEID	
CCc1ncnc(NC[C@@H]2CCN(CC(F)(F)F)C2)c1F	217978591	IDFNVQLROZZPFP-VIFPVBQESA-N	306.307	2.474	70	20	DEID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)c1cn2ccccc2n1	460090440	HNNCJEZVIDSHQC-UHFFFAOYSA-N	319.317	2.245	70	20	DEID	
COC[C@H](C)CC(=O)Nc1ccc(C)c(S(=O)(=O)F)c1	857675438	NGIYSNDBMJRIOC-SECBINFHSA-N	303.355	2.264	70	20	DEID	
C[C@H]1C[C@H](NC(=O)c2ccc(S(=O)(=O)F)cc2)C[C@@H](C)O1	864241077	JFQMCARKEBFHMI-PEGIJTEDSA-N	315.366	2.031	70	20	DEID	
CCc1ncc(NC(=O)NCCOc2ncccc2Cl)cn1	161136214	LUWFNUHCOLTYBL-UHFFFAOYSA-N	321.768	2.288	70	20	DEID	
Cc1[nH]ccc1C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1	161303014	MPXOXQNKFZLSJZ-LBPRGKRZSA-N	307.394	2.452	70	20	DEID	
Cc1cnccc1CCNC(=O)N[C@H]1CCN(C2CCCC2)C1	161400887	SCGAQZDRGVENAT-INIZCTEOSA-N	316.449	2.249	70	20	DEID	
CC(C)n1cc(NC(=O)N[C@H]2c3ccccc3C[C@@H]2O)cn1	161499752	GGOQTAJKTKMRGG-GJZGRUSLSA-N	300.362	2.244	70	20	DEID	
CNC(=O)c1ccc(CNC(=O)NC[C@@]2(C)CCCS2)cc1	160053558	AGVKIHQXGJQHSH-MRXNPFEDSA-N	321.446	2.131	70	20	DEID	
CCOc1cc(NC(=O)c2cccc(=O)n2C)ccc1OC	160135939	DKDCRMLLUFHYFR-UHFFFAOYSA-N	302.330	2.045	70	20	DEID	
O=C1CC[C@@H]2CN(C(=O)c3cc(Cl)ccc3F)CC[C@@H]2N1	160175806	UCJMQSZZLRYUFQ-RNCFNFMXSA-N	310.756	2.220	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)c1ccc(C(F)(F)F)nc1	160310808	YTWBFGIWSPNHRS-MRVPVSSYSA-N	304.268	2.172	70	20	DEID	
CCC(=CC(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1)CC	160340387	GKVRQCAMWTUVPZ-UHFFFAOYSA-N	316.401	2.423	70	20	DEID	
CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)c1ncccc1O	160513673	OZFXTPUTWRNXAF-UHFFFAOYSA-N	308.341	2.450	70	20	DEID	
CCc1sc(C(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)cc1C	160575325	KSYDZJSHDUOMMR-RYUDHWBXSA-N	306.431	2.360	70	20	DEID	
C[C@@H](NCc1ccc(CN2CCOCC2)cc1)c1cnn(C)c1	160599554	AFKJMGBBWMWTSC-OAHLLOKOSA-N	314.433	2.103	70	20	DEID	
Cc1cccc(C)c1NC(=O)CN(C)Cc1ccc(CO)o1	160928008	NMOKGQYGBXMRCK-UHFFFAOYSA-N	302.374	2.459	70	20	DEID	
Cc1conc1NC(=O)C(=O)NCc1ccc(F)c(Cl)c1	160953106	PBGRVFHBYWHXSM-UHFFFAOYSA-N	311.700	2.030	70	20	DEID	
Cc1cccc2nc(CNC(=O)c3[nH]nc4c3CCCC4)n(C)c12	159830199	AJDXKNFKAHPNDC-UHFFFAOYSA-N	323.400	2.414	70	20	DEID	
CC(=O)N1CC[C@@H](NC(=O)[C@H](C)CCc2ccccc2F)C1	159443868	JEMIMLOLARDULJ-IUODEOHRSA-N	306.381	2.131	70	20	DEID	
CCCCn1ncc(NC(=O)NCCNC(=O)C(C)(C)C)c1C	159661174	LJSXEXIZKSEACG-UHFFFAOYSA-N	323.441	2.275	70	20	DEID	
CC(C)Cn1ncc(C(=O)NC[C@H]2CCOC2)c1C(F)F	159883777	IMMXNGLUJVSRHC-SNVBAGLBSA-N	301.337	2.243	70	20	DEID	
CNC(=O)C1CCN(c2ccnc(Cc3ccccc3)n2)CC1	159517951	JJYYEXPHXDOADO-UHFFFAOYSA-N	310.401	2.030	70	20	DEID	
CCOCCCCNC(=O)NC[C@@](C)(O)c1ccc(F)cc1	159925232	FJRAVEOSDQLFTJ-MRXNPFEDSA-N	312.385	2.149	70	20	DEID	
CNC(=O)c1cccc(NC(=O)NCCc2cscn2)c1C	159554773	HTSSGTWHYGPLQL-UHFFFAOYSA-N	318.402	2.175	70	20	DEID	
CCCN1CC[C@@H](CNC(=O)NCC2(CCOCC)CC2)C1	159763977	APJJCFXYLMZDCH-HNNXBMFYSA-N	311.470	2.224	70	20	DEID	
COc1ccc(CNC(=O)[C@@H]2CCC(=O)C[C@@H]2C)c(OC)c1	159776217	KRDCRCHMSPVMOW-XHDPSFHLSA-N	305.374	2.325	70	20	DEID	
CCOc1ccc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)cc1	1336407514	XRDWITXVESTIHN-UHFFFAOYSA-N	312.322	2.324	70	20	DEID	
C[C@H]1CN(C(=O)CC2CCNCC2)[C@@H](c2ccccc2)CO1	161088175	BAUDSCOZAFHVLD-WMLDXEAASA-N	302.418	2.365	70	20	DEID	
CCc1nsc(N2CCN(CCCN3CCCCC3)CC2)n1	161383024	CRTCUVHQSZLROA-UHFFFAOYSA-N	323.510	2.099	70	20	DEID	
CSC[C@](C)(O)CNC(=O)Nc1ccn(CCC(C)C)n1	160013068	PYKNHDKRXWNMQR-CQSZACIVSA-N	314.455	2.165	70	20	DEID	
Cc1nnc2ccc(NC[C@@](C)(O)c3ccccc3Cl)nn12	160197311	HCEUMTAZGUSRPH-OAHLLOKOSA-N	317.780	2.406	70	20	DEID	
C[C@H](N[C@@H]1CCCN(c2ccccc2F)C1=O)[C@H]1CCOC1	160202674	HUSKGZVCFXMTBH-KCQAQPDRSA-N	306.381	2.336	70	20	DEID	
COc1c(CNC(=O)Nc2ccc(F)cc2F)c(C)nn1C	160340003	OWMKVHMORPTSOK-UHFFFAOYSA-N	310.304	2.337	70	20	DEID	
COC(=O)CN(C(=O)COc1cc(C)ccc1F)C1CCCC1	160579443	NILDGTWAGJSHLJ-UHFFFAOYSA-N	323.364	2.457	70	20	DEID	
CCCn1c(C)nnc1CN(C)Cc1ccc([S@](C)=O)cc1	160690859	YPHVANDOZQWMEJ-JOCHJYFZSA-N	320.462	2.366	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)c1ccc(Br)o1	160768927	MRRBCXMEVSWCLL-ZETCQYMHSA-N	304.140	2.114	70	20	DEID	
Cc1cnccc1CCNC(=O)NC[C@@H]1CCCN(C(C)C)C1	160824903	UVPNVQKHKISZKL-INIZCTEOSA-N	318.465	2.352	70	20	DEID	
CC(C)(C)c1nsc(N2CCC[C@H](Cn3cncn3)C2)n1	159400374	RCWFJHATTVQVQJ-NSHDSACASA-N	306.439	2.344	70	20	DEID	
Cc1cc(F)c(S(=O)(=O)NCC2(O)CCCCC2)cc1F	159816834	CTKJNBTUMXLUEX-UHFFFAOYSA-N	319.373	2.247	70	20	DEID	
CN(CC(=O)NC(C1CC1)C1CC1)Cc1cccc(N(C)C)c1	159821107	MZYJGGYIQHFFHT-UHFFFAOYSA-N	315.461	2.489	70	20	DEID	
O=C(C[C@H]1COC(=O)C1)N[C@@H](C[C@H]1CCOC1)c1ccccc1	159466989	MQUAVGBFZHROKL-FMKPAKJESA-N	317.385	2.224	70	20	DEID	
CCOC(=O)CN(C)CC(=O)N[C@H](c1ccc(C)cc1)C1CC1	159488537	SUEMBVPYUBJHAO-GOSISDBHSA-N	318.417	2.057	70	20	DEID	
O=S(=O)(NC[C@@H](O)C1CCCCC1)c1cccc(F)c1F	159543694	RDURPXAFGUNUQE-GFCCVEGCSA-N	319.373	2.184	70	20	DEID	
CS[C@@H](CO)[C@H](C)NC(=O)Nc1ccnc(C)c1Cl	159740354	RGUNPJRJGFEFAQ-XVKPBYJWSA-N	303.815	2.277	70	20	DEID	
CCc1ccc(C(=O)N(C)c2ccccn2)cc1S(C)(=O)=O	159966359	PHJWZJBKVWMPQJ-UHFFFAOYSA-N	318.398	2.324	70	20	DEID	
O=C(Nc1cnc(C2CC2)nc1)N[C@@H]1c2ccccc2C[C@@H]1O	159584670	ODHSCEADXMNNDI-LSDHHAIUSA-N	310.357	2.134	70	20	DEID	
COCCC1(C(=O)Nc2ccc(S(=O)(=O)F)c(F)c2)CC1	857674640	OCYAKROIEWOIHG-UHFFFAOYSA-N	319.329	2.239	70	20	DEID	
O=C(OC[C@H]1CCC[C@@H](O)C1)c1cccc(S(=O)(=O)F)c1	1333519124	LTLXMFLKIVATBS-CMPLNLGQSA-N	316.350	2.053	70	20	DEID	
CCC[C@@](C)(CO)NC(=O)NC[C@@H]1CCCCN1CC(C)C	161016249	RJMQQRSHBZJQBQ-RDJZCZTQSA-N	313.486	2.347	70	20	DEID	
Cc1ccc([C@@H](C)N(C)C(=O)N[C@@H]2CCc3ncnn3C2)cc1	161039002	BOAUPOBQBANCML-UKRRQHHQSA-N	313.405	2.304	70	20	DEID	
CC[C@@H](C)OCC(=O)Nc1cccc(NC(=O)[C@H](C)OC)c1	161381200	RMUGAEKCMLSVOE-NEPJUHHUSA-N	308.378	2.414	70	20	DEID	
CN(C)C1CCN(CCNC2C3CC4CC(C3)CC2C4)CC1	160149558	BHYNDXOTPRKGMV-UHFFFAOYSA-N	305.510	2.427	70	20	DEID	
Cc1cc(C(=O)N2CCC[C@@H]2CN)c(C)n1-c1nccs1	160315649	YHEYWKDJXWDSFQ-GFCCVEGCSA-N	304.419	2.114	70	20	DEID	
Cc1nc(CS(=O)(=O)c2ncc(C(C)(C)C)s2)no1	160373070	ZTJBLUMIQUDCFH-UHFFFAOYSA-N	301.393	2.106	70	20	DEID	
CCOc1ncccc1C(=O)N(C)c1ccc2c(c1)OCO2	160431832	HLDSOEPPQVNZNJ-UHFFFAOYSA-N	300.314	2.486	70	20	DEID	
COc1ccc(C[C@H](C)CNC(=O)NC[C@H]2CCOC2)cc1	160563331	GYDXGBUIGDRLAL-DZGCQCFKSA-N	306.406	2.210	70	20	DEID	
COC(=O)c1cccc(OCCn2cnc(C(C)C)cc2=O)c1	160671845	RXVANQQMDMNJFY-UHFFFAOYSA-N	316.357	2.232	70	20	DEID	
O=C(NCc1ccccc1F)Nc1ccnn1C[C@H]1CCOC1	159605287	KDALEVKEORTZDI-GFCCVEGCSA-N	318.352	2.380	70	20	DEID	
Cc1cc(NC(=O)CCCc2nc(C(C)(C)C)no2)c[nH]c1=O	159440694	PGKWVAYGDYLGIM-UHFFFAOYSA-N	318.377	2.325	70	20	DEID	
CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)CCNC(N)=O	159485490	MDSYNKSRDFEWIL-HNNXBMFYSA-N	305.422	2.223	70	20	DEID	
O=C(NCCCNC1CCCCC1)NCCc1cscn1	159570122	NMFIYQNMHRVRPD-UHFFFAOYSA-N	310.467	2.297	70	20	DEID	
CCn1cnnc1CNCc1cc(Cl)c(OC)c(OC)c1	218223684	NFWQZKIVZYKTHL-UHFFFAOYSA-N	310.785	2.258	70	20	DEID	
C[C@@H]1O[C@H](C)[C@@H](C(=O)Nc2ccc(S(=O)(=O)F)cc2)[C@H]1C	875551426	VEWRZDIGVZRGBM-XHSYRHOGSA-N	315.366	2.343	70	20	DEID	
CCNCC1CCN(C(=O)c2cncn2-c2ccccc2)CC1	161136886	XDJQBBHGVIRPAM-UHFFFAOYSA-N	312.417	2.334	70	20	DEID	
CNC[C@H]1CCCN1C(=O)c1cccc(OC[C@H]2CCCO2)c1	161188013	OXVBTUKESIOBSX-NVXWUHKLSA-N	318.417	2.068	70	20	DEID	
CCC(CC)n1nccc1C(=O)N(C)CC(=O)N(CC)CC	161288270	BPZSMFNEWIAWLO-UHFFFAOYSA-N	308.426	2.185	70	20	DEID	
Cc1cccc([C@@H](C)CNC(=O)C(=O)Nc2nocc2C)c1	161370399	UQZFKFUVUCGTKC-NSHDSACASA-N	301.346	2.150	70	20	DEID	
CCOCCC(=O)N1CCN(Cc2ccccc2Cl)CC1	161394384	UINPIJUSZMNMCJ-UHFFFAOYSA-N	310.825	2.411	70	20	DEID	
C/C(=C/c1ccccc1Cl)C(=O)N[C@H]1CCS(=O)(=O)C1	160201550	PRCKDJLSSWCCBZ-CUZBXDDWSA-N	313.806	2.047	70	20	DEID	
CC(C)NC(=O)c1ccc(C(=O)N2CCOC(C)(C)C2)cc1	160251146	IWRITJNDPGAKQS-UHFFFAOYSA-N	304.390	2.076	70	20	DEID	
O=C(COC[C@H]1CCCO1)N[C@H]1CCOC2(CCCCC2)C1	160432416	YDDIMXLUUFODOA-LSDHHAIUSA-N	311.422	2.180	70	20	DEID	
COc1ccc(NS(=O)(=O)c2ccc3c(c2)CCO3)c(C)n1	160662448	WCMKNDGBXNNBJV-UHFFFAOYSA-N	320.370	2.134	70	20	DEID	
NC(=O)CC1CCN(C(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)CC1	160874264	VWFACGNMORDSEP-GXTWGEPZSA-N	322.355	2.182	70	20	DEID	
COCCN(CC(C)C)C(=O)N[C@H]1CCN(C2CCCC2)C1	160905284	SLPVDEXBZWOTPI-HNNXBMFYSA-N	311.470	2.317	70	20	DEID	
CN(Cc1nc(Cc2ccccc2)no1)C[C@@H]1CCC[C@@H]1O	159461118	JOVZFKITCDSCTR-GJZGRUSLSA-N	301.390	2.253	70	20	DEID	
CC[C@@H](CCO)NC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1	159732137	IGRVQQMCGJWUMU-JYJNAYRXSA-N	306.406	2.367	70	20	DEID	
CCO[C@@H]1CCCN(C(=O)c2ccc3c(c2)CCC(=O)N3C)C1	159939796	ABYAKWGZBZOVLU-OAHLLOKOSA-N	316.401	2.237	70	20	DEID	
O=c1c2ccccc2nnn1Cc1noc(C2CCCCC2)n1	159374848	RKFHHEYVAJYHCS-UHFFFAOYSA-N	311.345	2.271	70	20	DEID	
CC(=O)N1CC[C@@H](NC(=O)c2cc(C3CC3)nc3ccccc23)C1	159593790	GDYXCMFYQWDTGS-CQSZACIVSA-N	323.396	2.463	70	20	DEID	
COC(C)(C)CNC[C@H](O)COCc1ccccc1Cl	160238293	POEPUSJPUCVLLH-ZDUSSCGKSA-N	301.814	2.232	70	20	DEID	
Cc1ccc(F)c(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)c1	1120866131	HIYHDVGIYCUKPX-UHFFFAOYSA-N	300.286	2.373	70	20	DEID	
O=C(c1cc(S(=O)(=O)F)ccc1Cl)N1CCCCO1	1337392546	UVVAEEFDBJOBKD-UHFFFAOYSA-N	307.730	2.166	70	20	DEID	
COC[C@@H](O)CCNC(=O)c1sc2cccc(F)c2c1C	161219163	JXPDEQDQWDPEPG-JTQLQIEISA-N	311.378	2.476	70	20	DEID	
N[C@H]1CC[C@H](C(=O)N2CC[C@@H](COCc3ccccc3)C2)C1	161323562	JOYIZHUQZNVUOT-IKGGRYGDSA-N	302.418	2.179	70	20	DEID	
C[C@@H](CNC(=O)N1CCC[C@@](C)(O)C1)N(C)c1ccccc1	160300983	GYCPKFHPHBRADA-WMLDXEAASA-N	305.422	2.068	70	20	DEID	
O=C1CCCC[C@H]1[C@H]1COCCN1C(=O)c1ccc(F)cc1	160496170	CGSDDMLDQZVFIB-LSDHHAIUSA-N	305.349	2.426	70	20	DEID	
CC[C@H](C)CN(C)c1ccc(F)cc1CN1CCNC(=O)C1	160508129	PISPCVCKAXUGIP-ZDUSSCGKSA-N	307.413	2.240	70	20	DEID	
CNC(=O)CCCN(C)C(=O)Nc1ccc2nc(C)oc2c1	160547673	HFANRCNFOFHCKI-UHFFFAOYSA-N	304.350	2.126	70	20	DEID	
CC1(C)CCC(C(=O)N2CC[C@@H](CN3CCOCC3)C2)CC1	160709222	XCFROOAKFJPNFP-HNNXBMFYSA-N	308.466	2.384	70	20	DEID	
CCN(CC(C)(C)O)C(=O)Nc1cc(C(=O)OC)cs1	160789173	YMRPSOHMMHTHRO-UHFFFAOYSA-N	300.380	2.159	70	20	DEID	
CCC(=O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)NC3=O)c1	160806548	BIMJACXAZIFJCO-UHFFFAOYSA-N	322.320	2.415	70	20	DEID	
COc1ccc(OCCCNC(=O)N2CCC[C@](C)(O)C2)cc1	160914673	HSPOZRKBOKPEER-KRWDZBQOSA-N	322.405	2.021	70	20	DEID	
O=C(NCc1nc(-c2cccc(Cl)c2)no1)[C@@H]1CCCNC1	160937954	HOFKUCIRWOAWNJ-LLVKDONJSA-N	320.780	2.006	70	20	DEID	
O=C(NCCCCNc1ccccn1)NCCc1cscn1	159602542	QLIQOJOBXRBFEK-UHFFFAOYSA-N	319.434	2.272	70	20	DEID	
CCCCn1ncc(NC(=O)N[C@@H]2CCCC[C@H]2C(N)=O)c1C	159851773	XVYBPZPUIFLNPV-CHWSQXEVSA-N	321.425	2.157	70	20	DEID	
CC(F)(F)CNC(=O)c1cc(S(=O)(=O)F)ccc1Cl	1349707005	DPHJNYNTZCVEPI-UHFFFAOYSA-N	315.700	2.383	70	20	DEID	
CCN(CCN[C@H]1C[C@@H](C)N(C2CC2)C1)C(=O)OC(C)(C)C	159499335	MTUPDYBABQIZGJ-KGLIPLIRSA-N	311.470	2.458	70	20	DEID	
O=C(CCc1nccs1)Nc1ccc(S(=O)(=O)F)cc1	460087936	BNHVUTNCVMBDAS-UHFFFAOYSA-N	314.363	2.373	70	20	DEID	
COCC1(CC(=O)Nc2ccc(S(=O)(=O)F)c(F)c2)CC1	857672968	OICWCLIZVHDWEB-UHFFFAOYSA-N	319.329	2.239	70	20	DEID	
COC1(CNC(=O)c2ccc(S(=O)(=O)F)cc2)CCCC1	864242064	UIVZBYSQLDQAOP-UHFFFAOYSA-N	315.366	2.034	70	20	DEID	
CS[C@@H]1CC[C@H](NC(=O)c2ccc(S(=O)(=O)F)cc2)C1	889252607	ZRFFANDZPWBGIW-WDEREUQCSA-N	317.407	2.359	70	20	DEID	
CCNCC1CCN(C(=O)c2cnc3onc(CC)c3c2)CC1	161001778	IKFKOIPLEJTYJD-UHFFFAOYSA-N	316.405	2.247	70	20	DEID	
CCC[C@H](CCO)CNC(=O)[C@@]1(C)Cc2ccccc2C(=O)O1	161161558	TVCFXGIYEHFSNO-FZKQIMNGSA-N	319.401	2.073	70	20	DEID	
COc1ccc(NC(=O)CCCNC(=O)c2ccco2)cc1N	161215601	ZVACRDLBWMYBRM-UHFFFAOYSA-N	317.345	2.019	70	20	DEID	
COC[C@@H](O)CCNC(=O)C(C)(C)Oc1cccc(Cl)c1	161243986	ZOZFDVCMTHBABE-LBPRGKRZSA-N	315.797	2.011	70	20	DEID	
C[C@]1(O)CCCN(C(=O)N[C@H]2CCCOc3ccccc32)C1	161452956	CPIWXEMAKNRBRL-YOEHRIQHSA-N	304.390	2.457	70	20	DEID	
CC(=O)N[C@@H](C(=O)N[C@H]1CCOC2(CCCCC2)C1)C(C)C	160579364	FTMADGOOIWAEMR-LSDHHAIUSA-N	310.438	2.145	70	20	DEID	
CC[C@H](CO)NC(=O)N[C@H](c1ccco1)c1ccccc1OC	160605379	OTMORHDOQUJVDA-WBMJQRKESA-N	318.373	2.448	70	20	DEID	
CCN(CC)C(=O)[C@H](C)ONC(=O)CCCc1ccccc1	160771349	VLHPXMZSPYSQBR-AWEZNQCLSA-N	306.406	2.314	70	20	DEID	
CC(C)C[C@H](CO)NC(=O)COc1ccc2c(c1)CCCC2	160887881	NMBKXHLTYCXQRJ-MRXNPFEDSA-N	305.418	2.467	70	20	DEID	
Cc1nnc(CSc2nnc(-c3ccccc3F)n2C)n1C	160970319	ZHROHYUDLZTCRC-UHFFFAOYSA-N	318.381	2.350	70	20	DEID	
CN(C[C@@H]1CCCOC1)C(=O)c1cc2c([nH]c1=O)CCCCC2	159443420	CTODDNNUBMFRQM-ZDUSSCGKSA-N	318.417	2.142	70	20	DEID	
O=C(NCCO)[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1	159499803	XLYNCJKUZAXRCG-MSOLQXFVSA-N	311.381	2.478	70	20	DEID	
O=C(c1ccc(S(=O)(=O)F)cc1)N1Cc2ccccc2CO1	865210845	QZGXYHMGJBDTJW-UHFFFAOYSA-N	321.329	2.432	70	20	DEID	
O=C(NCCCOc1ccccc1)NOCc1cccnc1	161030388	JDMQMLBPXONFTK-UHFFFAOYSA-N	301.346	2.282	70	20	DEID	
CC[C@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1nccs1	161154015	FJOVEACVCMQSGE-DTWKUNHWSA-N	307.341	2.347	70	20	DEID	
CNC[C@@H]1CCCN1C(=O)CCCOc1ccc(F)cc1F	161168116	MBQOOMJLMRTPLC-ZDUSSCGKSA-N	312.360	2.334	70	20	DEID	
C[C@@H](NCCCc1nnc2n1CCCCC2)C1CCN(C)CC1	161188879	WSTPXWYEUWYLQN-OAHLLOKOSA-N	319.497	2.257	70	20	DEID	
Cn1cc(C(=O)N2CCN(Cc3ccccc3Cl)CC2)cn1	161341683	KFYJBZZWTHBSGD-UHFFFAOYSA-N	318.808	2.032	70	20	DEID	
N[C@@H]1CCC[C@@H](NC(=O)c2ccc(NC(=O)C3CC3)cc2)C1	161356493	KDZPHIJAWNWDPR-UKRRQHHQSA-N	301.390	2.035	70	20	DEID	
C[C@@H](O)C[C@H]1CCCN1C(=O)Nc1ccc(-n2cccn2)nc1	160146235	QMUXUIMTYCEXDE-TZMCWYRMSA-N	315.377	2.035	70	20	DEID	
CC[C@H](COC)NS(=O)(=O)c1ccc(OC(C)C)c(C)c1	160334888	QFQPCWHHTVNEOY-CYBMUJFWSA-N	315.435	2.486	70	20	DEID	
C[C@@H](CO)N(C)C(=O)CCc1ccccc1Br	160565782	ZFIGTTXJYYMLFD-JTQLQIEISA-N	300.196	2.221	70	20	DEID	
O=C(NCc1ccco1)NCc1cccnc1OCC(F)F	160694876	PKEKIOFLTGSRGG-UHFFFAOYSA-N	311.288	2.318	70	20	DEID	
N[C@H]1CCC[C@H](NC(=O)c2ccc(N3CCCCCC3)nc2)C1	160767172	CJRJNCZFQNDPHJ-HOTGVXAUSA-N	316.449	2.462	70	20	DEID	
COc1ccc(CCCC(=O)N[C@@H]2CCC[C@H]2O)c(OC)c1	160830030	QPJFXAJNGCMDMA-HUUCEWRRSA-N	307.390	2.056	70	20	DEID	
Cc1nn(C)c(C)c1OCC(=O)N1c2ccccc2OC[C@@H]1C	160908913	ZDBCDYCPALLSGJ-NSHDSACASA-N	315.373	2.230	70	20	DEID	
CN(C)[C@@H](CNC(=O)c1ccnc(Cl)c1F)c1ccco1	160970867	BVGINAHXKAZOEQ-JTQLQIEISA-N	311.744	2.500	70	20	DEID	
C1CCN(CCCN2CCC[C@H](c3nnc4n3CCC4)C2)CC1	160994408	ZHYRTRBKXARGRP-INIZCTEOSA-N	317.481	2.280	70	20	DEID	
Cc1cc(S(=O)(=O)NCC2(O)CCCCC2)cc(C)c1F	159808978	DLSCGHCJLNUEHS-UHFFFAOYSA-N	315.410	2.416	70	20	DEID	
COC(=O)C1(N(C)CC(=O)N[C@@H]2CCCC[C@H]2C)CCCC1	159439593	OUBUGXRBPVFYSA-ZIAGYGMSSA-N	310.438	2.099	70	20	DEID	
CC(=O)N1CC[C@H](NC(=O)Cc2c[nH]c3cc(Cl)ccc23)C1	159635260	HNECJBSJVGMSQN-ZDUSSCGKSA-N	319.792	2.101	70	20	DEID	
CSC[C@](C)(O)CNC(=O)c1cccc(-n2cccc2)c1	217654106	GRBGQPRFPZAOCN-MRXNPFEDSA-N	304.415	2.321	70	20	DEID	
CO[C@@H](C(=O)Nc1ccc(S(=O)(=O)F)c(F)c1)C(C)C	857674905	UXFOLULEVHUFOZ-LLVKDONJSA-N	307.318	2.093	70	20	DEID	
N#Cc1ccc(NC(=O)c2cccc(S(=O)(=O)F)c2)cc1	1515237381	LSQICQHUSPCPIV-UHFFFAOYSA-N	304.302	2.469	70	20	DEID	
CCC[C@@H](C)[C@@H](CC)NCc1ccc(C(=O)NCC(N)=O)cc1	161001294	YZJODEWTJZBZJU-CZUORRHYSA-N	319.449	2.206	70	20	DEID	
CSC[C@H](C)NC(=O)NCCOc1ccc(Cl)cn1	161073050	HEDMURLELCAAHF-VIFPVBQESA-N	303.815	2.165	70	20	DEID	
CCN(Cc1cnn(C)c1)[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C	161086183	CLCMDOJFAONGPW-SQWLQELKSA-N	306.454	2.325	70	20	DEID	
CC(C)N(CCN(C)C)C(=O)c1csc([C@H]2CCCO2)n1	161185075	LITNZKIWCXXGBU-CYBMUJFWSA-N	311.451	2.407	70	20	DEID	
COc1ccc(C(=O)CCCC(=O)N[C@@H]2CCC[C@H]2O)cc1	161235055	GNLDKWLKKJYSIU-GDBMZVCRSA-N	305.374	2.078	70	20	DEID	
CC(C)N1C[C@H](C)[C@@H](NC(=O)c2cccc(-n3ccnc3)c2)C1	161392814	DZXSNTNWTKDBQY-YOEHRIQHSA-N	312.417	2.331	70	20	DEID	
CC1(C)CC[C@@H](CSc2nnnn2-c2ccc(O)cc2)O1	160771978	XTBMKBJGIJNCDJ-LBPRGKRZSA-N	306.391	2.418	70	20	DEID	
COc1ccc(CN(C)Cc2nncn2C)cc1OC(F)F	160775584	KNIPVAFLTVQJIT-UHFFFAOYSA-N	312.320	2.057	70	20	DEID	
C[C@H]1CC(=O)CC[C@H]1C(=O)NC[C@@H](c1ccccc1)N(C)C	160926657	PKOSIUUKWKMVAN-XKQJLSEDSA-N	302.418	2.411	70	20	DEID	
COC(C)(C)C[C@H](C)NC(=O)c1cccn1C1CCNCC1	160967547	AZLGSNKXYXBQRH-ZDUSSCGKSA-N	307.438	2.346	70	20	DEID	
COC(=O)[C@@H](C)NC(=O)CCCOc1ccc(C)cc1Cl	159628994	ZYRZWKLRBUKLDF-LLVKDONJSA-N	313.781	2.485	70	20	DEID	
CCOC(=O)N1CCN(C(=O)c2ccc(C(C)C)nc2)CC1	159438194	GJQRQGBJWYUWQA-UHFFFAOYSA-N	305.378	2.119	70	20	DEID	
Cc1cc(C)n([C@H](C)C(=O)NCCNC2CCCCCC2)n1	159726916	QDAKSDZFPJSPHD-OAHLLOKOSA-N	306.454	2.490	70	20	DEID	
COC(=O)[C@H](CC(C)C)NC(=O)c1ccnc(Cl)c1F	161339092	LASNMVJQHPEPJP-VIFPVBQESA-N	302.733	2.192	70	20	DEID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)[C@@H]1Cc2ccccc2O1	185112537	OGXATEGBKQOPHI-AWEZNQCLSA-N	321.329	2.287	70	20	DEID	
CN(C(=O)Nc1c(F)cccc1Cl)[C@H]1CCS(=O)(=O)C1	217313221	LXKRQKMQQCFSFM-QMMMGPOBSA-N	320.773	2.130	70	20	DEID	
C=CCCOCC(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	857674242	GMPUEJKRWWSFNV-UHFFFAOYSA-N	305.302	2.015	70	20	DEID	
CO[C@@H](C)CCC(=O)Nc1ccc(C)c(S(=O)(=O)F)c1	857675091	AWONTGJIEWYZQW-JTQLQIEISA-N	303.355	2.407	70	20	DEID	
CSCC[C@@H](C)NC(=O)c1ccc(S(=O)(=O)F)cc1	889066350	YNNYFOAEWOHEBV-SECBINFHSA-N	305.396	2.216	70	20	DEID	
CNC[C@H]1CCCN1C(=O)c1cccc(OC[C@@H]2CCCO2)c1	161187804	OXVBTUKESIOBSX-WBVHZDCISA-N	318.417	2.068	70	20	DEID	
COc1ccccc1N1CC[C@@H](NC(=O)C[C@@H]2C=CCC2)C1=O	161341221	ZOYSOKJQRICHBU-ZIAGYGMSSA-N	314.385	2.273	70	20	DEID	
CC(=O)NC1CCC(N[C@@H]2CCC[C@H](C(=O)NC(C)C)C2)CC1	161504647	OUFREYGDJBFMDI-ZGRYLRDCSA-N	323.481	2.107	70	20	DEID	
COC(=O)[C@H]1CCCN1C(=O)c1cc(NC(C)=O)ccc1Cl	160012851	BMQXQMZDESANJC-CYBMUJFWSA-N	324.764	2.076	70	20	DEID	
C[C@@H](c1ccccc1C(F)(F)F)[C@@H](C)NC(=O)NCCO	160031710	IHRVVPOLHSEWLY-NXEZZACHSA-N	304.312	2.489	70	20	DEID	
COC[C@@H](NC(=O)Nc1ccc(C(=O)OC)c(C)c1)C1CC1	160051936	ZLHYFYBHHWLQCF-CQSZACIVSA-N	306.362	2.328	70	20	DEID	
COC(=O)c1ccc(F)c(NC(=O)NC[C@H](C)SC)c1	160104629	YBKSBTFPEHUKKD-QMMMGPOBSA-N	300.355	2.485	70	20	DEID	
COc1ccc(-c2nc(C(=O)N3CCC[C@@H]3CN)cs2)cc1	160166241	FWNUDFDSIJBWRX-GFCCVEGCSA-N	317.414	2.382	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)COc1ccc(F)cc1Cl	160816503	BXBIBHNHOAQEEZ-SECBINFHSA-N	317.744	2.316	70	20	DEID	
CC[C@@H](O)CCNC(=O)NCCCCOc1ccc(F)cc1	160836874	MTVZEDHGKYTSDZ-CQSZACIVSA-N	312.385	2.445	70	20	DEID	
Cc1cc(NC(=O)CCNC(C)C)ccc1C(=O)NC(C)C	159496455	YHQOASGQEHGKHY-UHFFFAOYSA-N	305.422	2.460	70	20	DEID	
Cc1ccc(OCCC(=O)N(CC(N)=O)CC(C)C)cc1C	159735567	QWAUOMBUGJDWEG-UHFFFAOYSA-N	306.406	2.042	70	20	DEID	
Cc1cc(Br)ccc1CNC(=O)[C@H]1CCCNC1	159545743	JOGYOCZOQUVRFA-LBPRGKRZSA-N	311.223	2.373	70	20	DEID	
CCOC(=O)CSc1nc2ccc(F)cc2c(=O)n1CC	159556585	ZIWAYUVZGUGVKO-UHFFFAOYSA-N	310.350	2.211	70	20	DEID	
C[C@H](CN1CCCCC1)NC(=O)CCCc1nc(C2CC2)no1	159754227	WVXSVKIICJRQOL-CYBMUJFWSA-N	320.437	2.260	70	20	DEID	
CCCc1nnc(NS(=O)(=O)c2sccc2OC)s1	159792246	RNGQFVCQGXCOTB-UHFFFAOYSA-N	319.433	2.362	70	20	DEID	
O=C(COC1CCCC1)Nc1cccc(S(=O)(=O)F)c1	460091122	JCMYEFNGIRFDME-UHFFFAOYSA-N	301.339	2.243	70	20	DEID	
COCC1CCN(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC1	161045086	JBHGGVFKVJRELQ-KFWWJZLASA-N	308.422	2.012	70	20	DEID	
CNC(=O)[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1sccc1C	161306957	STZKRHIMEXMSTL-JHJVBQTASA-N	306.431	2.287	70	20	DEID	
COCc1nc2n(n1)C[C@@H](Nc1nc3cc(F)ccc3o1)CC2	161354559	RJTNENWHSPLIRE-JTQLQIEISA-N	317.324	2.132	70	20	DEID	
COC(=O)c1ccc2c(=O)[nH]c(-c3ccc4c(c3)CCO4)nc2c1	160326613	INTOPHQCHWBTEG-UHFFFAOYSA-N	322.320	2.312	70	20	DEID	
Cc1ccc(NC(=O)NC2C[C@@H](C)O[C@H](C)C2)cc1C(N)=O	160397101	DJWGOPKAQDYCMM-GHMZBOCLSA-N	305.378	2.171	70	20	DEID	
C[C@@H](CO)N(C)C(=O)[C@@H](C)c1ccc(Br)s1	160423456	BPOPOYPRGCAPDX-YUMQZZPRSA-N	306.225	2.453	70	20	DEID	
COc1cc(C(=O)N(C)Cc2cccn2C)cc(OC)c1OC	160427552	DKKNCDKWLXJONU-UHFFFAOYSA-N	318.373	2.323	70	20	DEID	
CCC(N)(CC)CNC(=O)c1cnc(-c2ccccn2)s1	160515527	ZAHGMXCMDLFDBI-UHFFFAOYSA-N	304.419	2.452	70	20	DEID	
COc1cccc(C(=O)N[C@@H](CCO)C(C)C)c1OC(F)F	160660491	LTZSJEXENLULTK-NSHDSACASA-N	317.332	2.433	70	20	DEID	
CCc1nc2n(n1)C[C@H](NC(=O)[C@H](C)c1cccs1)CC2	160705696	SUVPWFNSEZSJRT-GHMZBOCLSA-N	304.419	2.137	70	20	DEID	
CCc1cccc(CC)c1NC(=O)C(=O)N[C@@H]1CCC[C@H]1OC	159812454	OOVZWIYLWNCCQG-HUUCEWRRSA-N	318.417	2.434	70	20	DEID	
Cc1csc(N2CCN(C(=O)[C@@H]3CCC(=O)C[C@@H]3C)CC2)n1	159889605	WXYYOECYJKNGDJ-SMDDNHRTSA-N	321.446	2.105	70	20	DEID	
CC[C@@H](C)OCC(=O)N1CCC(C(=O)N2CCC(C)CC2)CC1	159494418	GNAFQEFGONOFHE-OAHLLOKOSA-N	324.465	2.299	70	20	DEID	
C[C@H](CO)CNS(=O)(=O)c1ccccc1-c1ccccc1	159695615	WNBRGMCFMCKWAZ-ZDUSSCGKSA-N	305.399	2.260	70	20	DEID	
CCCCOCCOCCNC(=O)NC1C[C@@H](C)O[C@H](C)C1	159586213	GBHGKCGHFOWWRZ-ZIAGYGMSSA-N	316.442	2.075	70	20	DEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC[C@@H]1c1cccnc1	1263697157	NQFYMQCILRLJOD-CYBMUJFWSA-N	323.349	2.045	70	20	DEID	
CC(C)CCn1ccc(NC(=O)NCCCc2cnn(C)c2)n1	161115581	KNXGQJMKXIABNI-UHFFFAOYSA-N	318.425	2.417	70	20	DEID	
COc1ccc([C@@]2(C)NC(=O)N(Cc3nccs3)C2=O)cc1	161127782	WFHOYNFTGBVPOB-OAHLLOKOSA-N	317.370	2.119	70	20	DEID	
Cc1nc(O)ccc1C(=O)NCc1ccc2c(c1)OCCCO2	161267315	UAXNTTBRTAJUGK-UHFFFAOYSA-N	314.341	2.187	70	20	DEID	
C[C@H](C(=O)N1CCOC[C@H]1C1CC1)N1CCc2ccccc2C1	161348761	WEQITICULFDZIA-KDOFPFPSSA-N	314.429	2.071	70	20	DEID	
O=C1[C@H](Nc2cncc(Cl)n2)CCCN1CC(F)(F)F	161500512	VXJDOPXACBEOGR-SSDOTTSWSA-N	308.691	2.095	70	20	DEID	
O=C(C[C@H]1CCS(=O)(=O)C1)N[C@H]1CCCc2sccc21	160170063	VZENFXJLLGNTDH-PWSUYJOCSA-N	313.444	2.067	70	20	DEID	
C[C@H](NCc1ccccc1CN1CCOCC1)c1cnn(C)c1	160463289	AAGCKXDZLYMVQY-HNNXBMFYSA-N	314.433	2.103	70	20	DEID	
C[C@@H](CC(=O)NCC1CCN(CCO)CC1)C1CCCCC1	160533492	OKLNMOYCEYDUHU-HNNXBMFYSA-N	310.482	2.413	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)c1ccc(Cn2ccnc2)cc1	160642127	NNMGTDZWRZNKTG-ZDUSSCGKSA-N	315.373	2.003	70	20	DEID	
O=C1CC[C@@H]2CN(C(=O)CCCc3cccs3)CC[C@H]2N1	160664257	DLPSCFABAXQHEM-TZMCWYRMSA-N	306.431	2.198	70	20	DEID	
O=C(Nc1cccc(F)n1)[C@H]1CCCN(CC(F)(F)F)C1	160860081	CFFPUGZYIPBYBJ-VIFPVBQESA-N	305.275	2.434	70	20	DEID	
CC(=O)N[C@@H](C)C(=O)Nc1nnc(-c2cccc3ccccc23)[nH]1	159629143	FAZCVMMLKOLKAW-JTQLQIEISA-N	323.356	2.088	70	20	DEID	
Cc1cccc(F)c1NC(=O)C(=O)NC1Cc2ccccc2C1	159644151	MOKAVIYQUOPVQI-UHFFFAOYSA-N	312.344	2.356	70	20	DEID	
CCOc1ccc(OCC(=O)Nc2c[nH]c(=O)c(C)c2)cc1	159694710	VDGCKHDZFDUNFE-UHFFFAOYSA-N	302.330	2.100	70	20	DEID	
C[C@H]1CN(C(=O)c2cccc(NC(=O)N(C)C)c2)[C@@H](C)CO1	159573457	PBNRRCYJWRIMPD-RYUDHWBXSA-N	305.378	2.030	70	20	DEID	
C[C@H]1CCC[C@@H](C)CN1C(=O)c1cc(S(=O)(=O)F)c[nH]1	1337519790	JDLAKBIMHXPIIA-ZJUUUORDSA-N	302.371	2.324	70	20	DEID	
O=C(NCc1ccc2occc2c1)c1cc(S(=O)(=O)F)c[nH]1	1337491664	PVGSAENCPIZWJF-UHFFFAOYSA-N	322.317	2.349	70	20	DEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N(Cc1ccoc1)C1CC1	1262813770	LBXDYZXKOGQMFH-UHFFFAOYSA-N	312.322	2.071	70	20	DEID	
CCN(CC(=O)Nc1cccc(C)c1C)Cc1cnn(C)c1	161083971	ZMMDRFLAPAQABA-UHFFFAOYSA-N	300.406	2.498	70	20	DEID	
CC[C@@H]1CCCC[C@@H]1N(C)C(=O)CN1C(=O)N[C@](C)(CC)C1=O	161101300	QSZGPEPHMIWHAE-IIYDPXPESA-N	323.437	2.134	70	20	DEID	
CCCCn1ncc(NS(=O)(=O)c2c(C)noc2C)c1C	160165610	KTHLFPLCNPCQIX-UHFFFAOYSA-N	312.395	2.397	70	20	DEID	
C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CC[C@@H](N)C1	160216595	OPCMLMCATOWPAK-GXFFZTMASA-N	300.324	2.444	70	20	DEID	
Cc1ccc(C(=O)NC2CCN([C@@H]3CCCC[C@H]3O)CC2)o1	160240218	SLHHPGUCWVSZFO-HUUCEWRRSA-N	306.406	2.086	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1	160374182	CKDOVMVIEPNHKW-SNVBAGLBSA-N	319.336	2.287	70	20	DEID	
Cc1nc2ccccn2c1CN(C1CC1)[C@@H](C)CS(C)(=O)=O	160403176	TZPBJKMKSFPWTQ-LBPRGKRZSA-N	321.446	2.040	70	20	DEID	
C[C@H]1CN(C)c2ccccc2N(C(=O)C[C@H]2COC(=O)C2)C1	160794091	KRCRMCOPXKFZMY-QWHCGFSZSA-N	302.374	2.059	70	20	DEID	
COC(CN1CCCC[C@@H]1[C@H](C)NC(=O)OC(C)(C)C)OC	160831812	UMQIMQFLDWGXJR-QWHCGFSZSA-N	316.442	2.373	70	20	DEID	
O=C(NCCc1cccnc1)c1cc(=O)[nH]c2cc(F)ccc12	159404706	QADQCNFJLXXERU-UHFFFAOYSA-N	311.316	2.035	70	20	DEID	
CC[C@H](C)[C@H](NC(=O)Nc1cnn(C)c1)C(=O)OC(C)(C)C	159805466	RDFDKZQKKUZQHG-JQWIXIFHSA-N	310.398	2.298	70	20	DEID	
CSc1ccc(NC(=O)C(=O)N2CCC3(CCC3)C2)cn1	159429025	PYWROXXVKYFOQT-UHFFFAOYSA-N	305.403	2.145	70	20	DEID	
COCCCNC(=O)CN(C)CCSc1ccc(C)c(C)c1	159478068	HQPGJBXBMGNGBH-UHFFFAOYSA-N	324.490	2.480	70	20	DEID	
CCS(=O)(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1	159488422	SUCXOZZHGBYSLB-UHFFFAOYSA-N	322.352	2.177	70	20	DEID	
CCOC(=O)CN(C)[C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1	159514378	HPAABCXIAXJQRV-QWHCGFSZSA-N	324.446	2.295	70	20	DEID	
COc1cccnc1N(C)S(=O)(=O)Cc1ccccc1C	159563789	OWDVJTMJOSAGRN-UHFFFAOYSA-N	306.387	2.365	70	20	DEID	
C[C@H](CCO)NC(=O)NCCc1ccc(Br)s1	161506884	KJVDXMXJGJIOIP-MRVPVSSYSA-N	321.240	2.123	70	20	DEID	
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CO)C(C)C	218722541	KMPYTPUVVFEYIH-STQMWFEESA-N	316.442	2.059	70	20	DEID	
O=C(Nc1cccc(S(=O)(=O)F)c1)c1ccc([N+](=O)[O-])o1	460096196	TVZYFEIOFCNASG-UHFFFAOYSA-N	314.250	2.098	70	20	DEID	
C[C@@H]1C[C@H]1c1ccc(CN2CCN(C(=O)[C@@H]3CCCO3)CC2)o1	161006173	XWMWCXOFZXTWFX-UNEWFSDZSA-N	318.417	2.226	70	20	DEID	
COCCC1(CNC(=O)N2CCC[C@@H]2CN2CCCCC2)CC1	161119078	OBUXQKFKAHRSER-MRXNPFEDSA-N	323.481	2.463	70	20	DEID	
C[C@H](N[C@@H](C)C1CCN(C)CC1)C(=O)NCc1ccccc1	161216433	XSYGDWQEVQTQIG-GJZGRUSLSA-N	303.450	2.011	70	20	DEID	
COC[C@H](O)CCNC(=O)c1sc2cccc(F)c2c1C	161219260	JXPDEQDQWDPEPG-SNVBAGLBSA-N	311.378	2.476	70	20	DEID	
COC(=O)C[C@@H](NC(=O)[C@H](C)N)c1ccc(C(C)(C)C)cc1	161431057	KDKCVQTWVCKQRO-SMDDNHRTSA-N	306.406	2.052	70	20	DEID	
COc1ccc(OCCNC(=O)N[C@@H](CCO)C(C)(C)C)cc1	161505017	RUQKXZYBNSTKPM-HNNXBMFYSA-N	324.421	2.170	70	20	DEID	
COc1cccc2c1CC[C@H]2NC(=O)c1c(C)nn2cccnc12	160046484	QEZAVMZTMSMCMK-CQSZACIVSA-N	322.368	2.464	70	20	DEID	
Cc1nc(CN(C)C(=O)NCCCC(=O)OC(C)C)cs1	160213966	IIOLKEIISWJEIH-UHFFFAOYSA-N	313.423	2.325	70	20	DEID	
C[C@H]1CCCN1C(=O)CCN1CCN(c2cccs2)CC1	160312501	VPNCVIHAVGPWOV-AWEZNQCLSA-N	307.463	2.271	70	20	DEID	
O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)N(C[C@@H]1CCOC1)C1CC1	160388853	CAATXBUIPITMSZ-JGGQBBKZSA-N	308.422	2.155	70	20	DEID	
CC[C@H](NC(=O)Nc1ccc(CC(=O)NC)cc1)[C@@H]1CCCO1	160497001	YTCUQGWUOQTSFX-GJZGRUSLSA-N	319.405	2.054	70	20	DEID	
O=C(NCCOC1CCCCCC1)C(=O)Nc1ccc(F)nc1	160507742	FUPMAVVNMLNTCC-UHFFFAOYSA-N	323.368	2.015	70	20	DEID	
CSc1ccccc1C(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1	160565755	TXEHKRMFFXQNNW-DGCLKSJQSA-N	304.415	2.149	70	20	DEID	
CC(C)CS(=O)(=O)CC(=O)Nc1cccc(OCCF)c1	160636571	ZMIKUWCNJGXCAJ-UHFFFAOYSA-N	317.382	2.044	70	20	DEID	
CCOC(=O)CN(C)[C@@H](C)C(=O)Nc1ccc(SC)cc1	159486985	GDPPLYGCDLAJRS-NSHDSACASA-N	310.419	2.230	70	20	DEID	
CCOC(=O)CN(C)CC(=O)N(C1CCC(C)CC1)C1CC1	159510316	UWIQBLCFLSUAQY-UHFFFAOYSA-N	310.438	2.051	70	20	DEID	
O=C(NC[C@H]1Cc2ccccc2O1)N1CCOC2(CCCC2)C1	159925399	KBNZIFORKCZBQL-OAHLLOKOSA-N	316.401	2.345	70	20	DEID	
CC[C@H](C)OCC(=O)Nc1ccccc1CN1CCOCC1	159763995	AZNOKZXZCFDZPB-AWEZNQCLSA-N	306.406	2.272	70	20	DEID	
Cc1cccc(OCCCC(=O)N2CC[C@@]3(CCNC3)C2)c1	159388446	KQIHCBIUYGQWBJ-GOSISDBHSA-N	302.418	2.366	70	20	DEID	
O=S(=O)(Cc1cccc(F)c1)NC[C@@H](O)C1CCCCC1	159585768	DVDPGXYLONQVGE-OAHLLOKOSA-N	315.410	2.186	70	20	DEID	
C[C@H](CNC(=O)N1CCc2cccc(F)c2C1)N(C)C1CC1	159798132	UPKKGHIFLZSGLM-GFCCVEGCSA-N	305.397	2.376	70	20	DEID	
CC(C)OCCNC[C@H](O)COCc1ccc(Cl)cc1	160218436	WGOWHJGBKNTJPO-HNNXBMFYSA-N	301.814	2.232	70	20	DEID	
CC[C@@H]1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)F)cc2)CCO1	123006219	CWKUYYRANRLZRI-CMPLNLGQSA-N	315.366	2.489	70	20	DEID	
CC(C)N1C[C@@H](NC(=O)NCCc2cccc(Cl)c2)CC1=O	217289243	SYAVEVMGBJLCBW-AWEZNQCLSA-N	323.824	2.191	70	20	DEID	
C[C@@H]1COC2(CCCC2)CN1c1ccc(S(=O)(=O)F)cn1	1550628916	HOZJVPOJJANXHW-LLVKDONJSA-N	314.382	2.278	70	20	DEID	
O=C(NC1CC=CC1)c1cc(I)c[nH]1	161005992	FXQLWSYICZMOEH-UHFFFAOYSA-N	302.115	2.068	70	20	DEID	
COC1(CNC(=O)C[C@H](C)c2c(C)noc2C)CCOCC1	161045321	IWRBCZBCTCYYIU-NSHDSACASA-N	310.394	2.097	70	20	DEID	
Cc1ccc(NC(=O)C(=O)N[C@H](C)C2CCOCC2)cc1F	161050243	AINTWLOKHDNYNS-LLVKDONJSA-N	308.353	2.004	70	20	DEID	
O=C(NCCOc1ccccc1)NCc1ccccc1CO	161116368	MIRBJMZEWVDNIO-UHFFFAOYSA-N	300.358	2.057	70	20	DEID	
COC(=O)CSCCC(=O)N1CCc2c(F)cccc2C1	161117915	YDYRUIPSRBEZSX-UHFFFAOYSA-N	311.378	2.007	70	20	DEID	
CC(=O)NC1CCC(N[C@H](C)CN2C[C@H](C)C[C@@H](C)C2)CC1	161357323	QAJAUBVKNMDGJE-MASVMSMMSA-N	309.498	2.390	70	20	DEID	
CC(C)c1ncc(C(=O)N2CCC[C@H](CCC(N)=O)C2)s1	161463311	QHHDJDRTVGQZAB-LLVKDONJSA-N	309.435	2.384	70	20	DEID	
COc1cccc2c1CC[C@@H]2NC(=O)CCOC[C@H]1CCCO1	160098556	SUMOIIFXRVVBPG-CJNGLKHVSA-N	319.401	2.384	70	20	DEID	
CC(=O)NCc1ccc(C(=O)NCCc2cccc(O)c2)cc1	160146374	PKCNRUQEHAPOSK-UHFFFAOYSA-N	312.369	2.001	70	20	DEID	
CCC[C@@H](C)N1C[C@H](C(=O)NCCc2cccc(O)c2)CC1=O	160237455	CLPKNOAMQBZBJG-UKRRQHHQSA-N	318.417	2.088	70	20	DEID	
CSc1ccc(C(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)cc1	160580587	FSFZTUGUHZDYIT-OCCSQVGLSA-N	304.415	2.149	70	20	DEID	
CCOC(=O)NCCC(=O)N[C@H]1CCOC2(CCCCC2)C1	160693901	OUTYFHFGMZGMFM-ZDUSSCGKSA-N	312.410	2.121	70	20	DEID	
COc1ccc(NC(=O)[C@H](C)N)cc1NC(=O)C1CCCCC1	160920030	FSPHNTILHUOYPJ-NSHDSACASA-N	319.405	2.500	70	20	DEID	
CCC[C@@H]1CN(C(=O)NCCc2cccc(OC)c2)CCO1	159836460	QEUWAJHEEQISRZ-MRXNPFEDSA-N	306.406	2.448	70	20	DEID	
CCCCc1ccc(NC(=O)C(=O)Nc2ccnn2C)cc1	159453304	LAFNCIPJXJBUFK-UHFFFAOYSA-N	300.362	2.340	70	20	DEID	
CC(C)CCn1ccc(N[C@@H](C)C(=O)NCC(F)(F)F)n1	159898869	IXIXMGWZVHMQAP-JTQLQIEISA-N	306.332	2.408	70	20	DEID	
Cc1onc(-c2ccccn2)c1C(=O)N(C)[C@H]1CCCN(C)C1	159918125	AHZYBGJSPSIWPO-ZDUSSCGKSA-N	314.389	2.211	70	20	DEID	
Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1336406188	KDYGSQJGZITJOV-ZDUSSCGKSA-N	322.361	2.399	70	20	DEID	
C[C@H]1CC[C@H](CNC(=O)Cc2ccc(S(=O)(=O)F)cc2)C1	1340722470	MZRFNCAYGYWZEH-AAEUAGOBSA-N	313.394	2.440	70	20	DEID	
CCN(Cc1ccccc1)C(=O)[C@H](C)N(C)Cc1cnn(C)c1	161056647	IRYDYKMDDZEEHB-HNNXBMFYSA-N	314.433	2.289	70	20	DEID	
C[C@@H](NCc1cccc(C(=O)NCCN(C)C)c1)C1(C)CC1	161266572	MVDMEGYWERZQBR-CQSZACIVSA-N	303.450	2.256	70	20	DEID	
CNC[C@@H]1CCCN1C(=O)c1cnc(-c2ccccn2)s1	161316331	YHXFSIOWWMKZBP-NSHDSACASA-N	302.403	2.029	70	20	DEID	
Cc1ccc(Cl)c(S(=O)(=O)N[C@H]2CC[C@@H](CO)CC2)c1	161365490	NTJDLLCLINPKMP-HAQNSBGRSA-N	317.838	2.478	70	20	DEID	
CC(C)n1nccc1C(=O)NCCN(C)Cc1ccccc1	161460507	NLDHEPKUEIYVCH-UHFFFAOYSA-N	300.406	2.326	70	20	DEID	
Cc1ccc(C(C)(C)C(=O)NC[C@@H](O)CN2CCCCC2)cc1	160066315	IHSQJEAQHGAUIP-QGZVFWFLSA-N	318.461	2.236	70	20	DEID	
OCC1(CNC[C@@H](O)COc2ccc(Cl)cc2)CCCC1	160145734	OGASQGDNOBIDML-CQSZACIVSA-N	313.825	2.222	70	20	DEID	
CC(C)(C)S(=O)(=O)CC(=O)N[C@H]1CCCc2sccc21	160162038	JHBKUXXBMJVEPP-NSHDSACASA-N	315.460	2.455	70	20	DEID	
CCCCn1ncc(NC(=O)N[C@@H](C)CO[C@H]2CCOC2)c1C	160272058	LSNWHAYPOFIIAF-JSGCOSHPSA-N	324.425	2.307	70	20	DEID	
Cc1ccc2c(c1)OCCC[C@@H]2NCC(=O)NCC(F)(F)F	160541080	QHKNRMZRHJJHDV-LBPRGKRZSA-N	316.323	2.477	70	20	DEID	
COCCN(CCO)C(=O)/C=C/c1c(Cl)cccc1Cl	160621138	MQUIHVNDLNBHNC-AATRIKPKSA-N	318.200	2.474	70	20	DEID	
CCc1ccccc1-n1cc(O)c(C(=O)NCC[C@H](O)CC)n1	160871632	LZTOZGCNSKTPHJ-CYBMUJFWSA-N	317.389	2.031	70	20	DEID	
C[C@@H]1CN(C)[C@H](C)C[C@@H]1NCc1ccccc1CS(C)(=O)=O	160940406	RVVLLKFOQNRURP-CPUCHLNUSA-N	324.490	2.050	70	20	DEID	
C[C@@H](CCn1cccn1)Nc1ccccc1OCCC(N)=O	159419323	WOTJMHHIHYWPTM-ZDUSSCGKSA-N	302.378	2.028	70	20	DEID	
Cc1ccc(O)c(C(=O)N2CCC(N3CCCCC3=O)CC2)c1	159458296	XJWNJGODNVKRHE-UHFFFAOYSA-N	316.401	2.318	70	20	DEID	
O=C(CCn1ccccc1=O)NCCc1cc2ccccc2[nH]1	159501439	ZWCDSFPKVAPGHU-UHFFFAOYSA-N	309.369	2.079	70	20	DEID	
Cc1nn(C)c(C)c1[C@@H](OC(=O)Cn1cccn1)C(F)(F)F	159994647	SXBLMLOKTSBKOV-GFCCVEGCSA-N	316.283	2.080	70	20	DEID	
COC[C@@H](NC(=O)Nc1cc(C(=O)OC)cs1)C(C)C	160721829	GQKVYZPLELDBPV-SNVBAGLBSA-N	300.380	2.327	70	20	DEID	
Cc1cc(=NC(=O)c2ccc(S(=O)(=O)F)cc2)c(C)c[nH]1	864243023	XHVJTDNDMVPGBG-UHFFFAOYSA-N	308.334	2.031	70	20	DEID	
COC/C(C)=C/C(=O)Nc1ccc(F)c(CS(=O)(=O)F)c1	876319831	PARNERQMOTVEMB-WEVVVXLNSA-N	319.329	2.156	70	20	DEID	
C[C@@H]1O[C@H](C)[C@H](C(=O)Nc2cccc(S(=O)(=O)F)c2)[C@@H]1C	875562574	QYKIWBQLHAEFSO-BSTOTGJRSA-N	315.366	2.343	70	20	DEID	
C[C@@H](O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1CS(=O)(=O)F	882035782	PQNJEOMIACLBBI-HTQZYQBOSA-N	323.367	2.256	70	20	DEID	
CCO[C@@H](CCN(C)C)CNC(=O)C[C@H](C)c1ccncc1	161098324	RSMYNRPMRNPZPC-HOCLYGCPSA-N	307.438	2.048	70	20	DEID	
COC1(C(=O)NC[C@H](C)Sc2ccccc2)CCNCC1	161119397	GQFIOSGAXKNNAG-ZDUSSCGKSA-N	308.447	2.052	70	20	DEID	
O=C(Cn1cnnn1)N1CCCC[C@@H]1CCCc1ccccc1	161165037	FICSYRVCBXDKFE-MRXNPFEDSA-N	313.405	2.077	70	20	DEID	
COC1(C(=O)N2CC[C@H](c3ccccc3)[C@H](C)C2)CCNCC1	161237935	UDTFHQIPZURXBE-WBVHZDCISA-N	316.445	2.407	70	20	DEID	
COC1(C(=O)N[C@@H](C)Cc2cc(C)cc(C)c2)CCNCC1	161350465	GUIGNIGWYUADCF-HNNXBMFYSA-N	304.434	2.119	70	20	DEID	
CCCn1c(C)nnc1CN1CCN(C2CCCCC2)CC1	161401572	FYPRTCGVBUDRKN-UHFFFAOYSA-N	305.470	2.447	70	20	DEID	
O=c1c2ccoc2ccn1C[C@H](O)COCc1cccs1	161410805	XXWYIFYNCZYHPX-NSHDSACASA-N	305.355	2.234	70	20	DEID	
CC(C)NC(=O)CCNC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F	160027616	LWIWFNXXGJQWSN-VXGBXAGGSA-N	310.344	2.099	70	20	DEID	
O=c1ccc2cc(S(=O)(=O)NCC3(C4CC4)CC3)ccc2o1	160204228	LXJVDARFVKBDHI-UHFFFAOYSA-N	319.382	2.262	70	20	DEID	
CC[C@@H](C(=O)Nc1cccc(C(N)=O)n1)c1ccc(F)cc1	160242001	LSQIXVXTHAWRKY-GFCCVEGCSA-N	301.321	2.452	70	20	DEID	
C[C@@H](CC(=O)N(C)Cc1cccn1C)NC(=O)C1CCCCC1	160393373	AWIYWXZZPQMYJU-AWEZNQCLSA-N	319.449	2.459	70	20	DEID	
O=C(N[C@H]1CCO[C@H](C2CC2)C1)N1CCN(C2CCCC2)CC1	160406117	AUBUMCAFSLFRFA-RDJZCZTQSA-N	321.465	2.214	70	20	DEID	
CCO[C@H]1C[C@H](N(C)C(=O)NCCN(CC)CC)C12CCC2	160636580	SZZCGOCEKNZIGS-GJZGRUSLSA-N	311.470	2.317	70	20	DEID	
Cc1cc(NC(=O)CNC(=O)c2ccc(F)cc2F)ccc1O	160674520	PXRMLNVYIAMPDX-UHFFFAOYSA-N	320.295	2.347	70	20	DEID	
Cn1cc(C(=O)NCCc2csc(C(C)(C)C)n2)ccc1=O	160679383	UWDRMADCMFXXQR-UHFFFAOYSA-N	319.430	2.112	70	20	DEID	
C[C@@]1(CNC(=O)NCCCNc2ccccn2)CCCS1	160682575	LEEPQRIFUGFYRE-HNNXBMFYSA-N	308.451	2.469	70	20	DEID	
Cc1cc(NC(=O)CNC[C@@H]2CCCO2)ccc1OC(C)C	160903638	ZGVPGCQRCUWHOH-HNNXBMFYSA-N	306.406	2.489	70	20	DEID	
C[C@H]1C[C@H](CN)CN1C(=O)c1ccc(OC(F)(F)F)cc1	159424365	UAFLDJPJFYVHSC-VHSXEESVSA-N	302.296	2.395	70	20	DEID	
CC(C)CCn1ccc(NC(=O)NCCCC(=O)NC2CC2)n1	159826483	FNVJXYWHXMSOHK-UHFFFAOYSA-N	321.425	2.110	70	20	DEID	
C[C@H]1CCC[C@@H](C(=O)Nc2ccc(CS(N)(=O)=O)cc2)C1	159459117	FRUWUAQVPYWTJX-WCQYABFASA-N	310.419	2.240	70	20	DEID	
CCOC(=O)CN(C)[C@@H](C)C(=O)N[C@H](C)c1ccc(CC)cc1	159486338	NXSRRKXNGPDNAE-KGLIPLIRSA-N	320.433	2.310	70	20	DEID	
O=C(N[C@@H](C[C@H]1CCOC1)c1ccccc1)c1cnsn1	159555615	FPQCMTNSBNERMX-YPMHNXCESA-N	303.387	2.436	70	20	DEID	
CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N(C)Cc2cc(C)on2)C1	159973086	ZJYHCIKQVAIEQA-JSGCOSHPSA-N	321.421	2.226	70	20	DEID	
C[C@H](Nc1nnc(C(F)(F)F)s1)C(=O)N1CCCCC1	160159787	ITJLBFVBWOIMDB-ZETCQYMHSA-N	308.329	2.370	70	20	DEID	
Cc1cnc(NC(=O)c2ccc(S(=O)(=O)F)cc2)s1	864240395	UHZQUKMZVMNRSW-UHFFFAOYSA-N	300.336	2.362	70	20	DEID	
CCN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@@H](C)C(F)(F)F	1121095006	NNTNWGIVDKTDES-LURJTMIESA-N	316.276	2.086	70	20	DEID	
CN(C)[C@@H]1C[C@H](Nc2ccc(S(=O)(=O)F)cn2)C12CCC2	1550631203	NYIJZWKQQWLXQF-NWDGAFQWSA-N	313.398	2.025	70	20	DEID	
CSCC[C@H](N)C(=O)Nc1cnn(-c2ccccc2F)c1	161074797	OZGMRJWPHPLSEY-LBPRGKRZSA-N	308.382	2.030	70	20	DEID	
CCc1cccc(C)c1NC(=O)C(=O)N[C@H](C)C1CCOCC1	161111892	KLNHDAADSUCLNI-CYBMUJFWSA-N	318.417	2.427	70	20	DEID	
Cn1ccnc1CS(=O)(=O)Cc1cc(-c2ccccc2)on1	161168775	BLVXCDGIAOTSKE-UHFFFAOYSA-N	317.370	2.190	70	20	DEID	
CS[C@H](C)CC(=O)Nc1ccc(C)c(NS(C)(=O)=O)c1	161179929	OVCJZAPZRGQCFD-SNVBAGLBSA-N	316.448	2.447	70	20	DEID	
CN(C)c1cccc(NC(=O)c2cnc(C(F)(F)F)nc2)n1	160249469	XQKLNZCDGQOGNL-UHFFFAOYSA-N	311.267	2.209	70	20	DEID	
C[C@H](C(=O)NCc1ccc(C(N)=O)cc1)c1c(F)cccc1F	160255816	XAEBCUXHEAJTRU-JTQLQIEISA-N	318.323	2.484	70	20	DEID	
CCCN(CC1CC1)C(=O)C(=O)Nc1cc(C(=O)OC)cs1	160493949	NQAQVMXXDWCMBC-UHFFFAOYSA-N	324.402	2.122	70	20	DEID	
COc1ccc(C[C@@H](C)CNC(=O)NCc2cnn(C)c2)cc1	160526076	QDOMFPAKMPEBEY-CYBMUJFWSA-N	316.405	2.107	70	20	DEID	
CC(C)[C@H](CCO)NC(=O)C1(c2ccc(F)cc2)CCOCC1	160558952	YPGFPMIFSGBVAE-INIZCTEOSA-N	323.408	2.397	70	20	DEID	
CC1(C)C[C@H](NC(=O)c2cccc(-c3ncn[nH]3)c2)CCO1	160623540	RZEBANFKDJSGNH-CYBMUJFWSA-N	300.362	2.159	70	20	DEID	
O=C(CCc1cccc(OC2CCCC2)c1)N1CCNCC1	159437536	HKRKXCBBWOANSN-UHFFFAOYSA-N	302.418	2.372	70	20	DEID	
COC(=O)[C@H]1C[C@H]1C(=O)N[C@@H](C[C@@H]1CCOC1)c1ccccc1	159439203	DHRXUNRLCMZTCN-UKMLZYKCSA-N	317.385	2.080	70	20	DEID	
COC(=O)c1ccc(NC(=O)[C@H]2[C@@H](N)[C@H]3CC[C@@H]2C3)cc1Cl	159463592	AVCIEOVBQJDEMZ-VQSQSKOLSA-N	322.792	2.439	70	20	DEID	
O=C(c1ccccc1-n1cccn1)N1CCC(NCC2CC2)CC1	159739740	ZULXBOSOZPSZBW-UHFFFAOYSA-N	324.428	2.477	70	20	DEID	
Cc1c(/C=C/C(=O)Nc2ccc(S(=O)(=O)F)cc2)cnn1C	122981822	LAHACDQKSGFHFN-FPYGCLRLSA-N	323.349	2.039	70	20	DEID	
COC1(C(=O)Nc2cccc(S(=O)(=O)F)c2)CCCC1	460088686	CZMJHIJSSBSAIE-UHFFFAOYSA-N	301.339	2.243	70	20	DEID	
O=C(N[C@@H]1CCC(F)(F)C1)c1ccc(S(=O)(=O)F)cc1	864242615	NMXZZKIOKHHHGF-SECBINFHSA-N	307.293	2.262	70	20	DEID	
O=C(N[C@@H]1CCC(F)(F)C1)c1cccc(S(=O)(=O)F)c1	1338390902	UMGCXMPKYOZJPX-SECBINFHSA-N	307.293	2.262	70	20	DEID	
C[C@]1(c2cc(F)ccc2F)NC(=O)N(Cc2nccs2)C1=O	161192706	OSOWXULGAQJWRC-CQSZACIVSA-N	323.324	2.389	70	20	DEID	
C[C@@]1(NC(=O)Nc2ccccc2N2CCCC2=O)CCOC1	160108055	GHXPXGLMTKZFSS-MRXNPFEDSA-N	303.362	2.114	70	20	DEID	
CNC(=O)c1ccc(OC)c(NCc2ccc(OC)c(O)c2)c1	160274673	GCTYQWXADBCMIR-UHFFFAOYSA-N	316.357	2.381	70	20	DEID	
CCn1cc(NC(=O)c2ccc(C(=O)NC(C)C)cc2)cn1	160279383	FPDYDGLQNOHEDW-UHFFFAOYSA-N	300.362	2.294	70	20	DEID	
COCCN1CCC(NC(=O)C2CCC(F)(F)CC2)CC1	160300236	WVAGPJVLTRIMBX-UHFFFAOYSA-N	304.381	2.039	70	20	DEID	
Cc1cccc([C@@H](C)C(=O)NC[C@@H](O)CN2CCCCC2)c1	160316526	UDAVWOOIDAVEAG-NVXWUHKLSA-N	304.434	2.062	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)c1cc2ccccc2c(OC)n1	160600987	NVDAHCHIQDHSJB-NSHDSACASA-N	316.357	2.315	70	20	DEID	
C[C@@H](Cc1ccc(O)cc1)NC(=O)c1ncn(-c2ccccc2)n1	160739448	RFGAOAMFHONUAJ-ZDUSSCGKSA-N	322.368	2.334	70	20	DEID	
O=C(CCc1nc(C2CCCC2)no1)Nc1ccncc1O	160755186	OLXSJOFFTSNZEA-UHFFFAOYSA-N	302.334	2.399	70	20	DEID	
CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)C1CCNCC1	160831385	GABRVWHXCTZIIY-QGZVFWFLSA-N	322.424	2.343	70	20	DEID	
CC(C)Oc1ccc(CNC(=O)N2CCO[C@@H](C)[C@@H]2C)cn1	160857158	YCAAKNHLYWMYBK-STQMWFEESA-N	307.394	2.188	70	20	DEID	
Cc1c(C(=O)N(C)C[C@@H]2CCCCO2)cnn1C1CCOCC1	160949551	IHJPARNZIVFKJI-HNNXBMFYSA-N	321.421	2.184	70	20	DEID	
COCCCNC(=O)NOCc1ccc(C(F)(F)F)cc1	160981336	VFHWAVJODJGABW-UHFFFAOYSA-N	306.284	2.473	70	20	DEID	
C[C@@H](CC(=O)c1cccs1)NC(=O)CNC(=O)CC(C)(C)C	160982781	VWSRUUJXSAOYMB-NSHDSACASA-N	324.446	2.378	70	20	DEID	
CC1(NS(=O)(=O)c2cc(F)ccc2Cl)CCOCC1	160992180	QFNLFIGXQWZRQE-UHFFFAOYSA-N	307.774	2.327	70	20	DEID	
Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)C2(C)CC2)c1C	159829521	GXOKRPPZSMRVQE-UHFFFAOYSA-N	310.419	2.292	70	20	DEID	
CC[C@@H](NC(=O)Nc1cccc(C(=O)NC)c1)[C@@H]1CCCO1	159871859	HYCXBBFQXDNLFY-KGLIPLIRSA-N	305.378	2.125	70	20	DEID	
CCC(CC)(CC)CNC(=O)N1CCC(N2CCNC2=O)CC1	159902597	SBCZKEBANBEKRV-UHFFFAOYSA-N	324.469	2.402	70	20	DEID	
CCN1CCCN(C(=O)NC[C@H](C)Oc2cccc(C)c2)CC1	159914981	RHMVXYWWCDEPNS-INIZCTEOSA-N	319.449	2.500	70	20	DEID	
CN(Cc1nccs1)C(=O)c1ccc(S(=O)(=O)F)cc1	864239195	BMBUMKDHMCJDDZ-UHFFFAOYSA-N	314.363	2.074	70	20	DEID	
CC1(OCC(=O)Nc2ccc(S(=O)(=O)F)cc2)CCC1	776364427	SPVKXVVHRYRGTE-UHFFFAOYSA-N	301.339	2.243	70	20	DEID	
O=S(=O)(F)CCN1CCCc2cc(OC(F)F)ccc21	883954376	KWLOSDNONIHKKF-UHFFFAOYSA-N	309.309	2.340	70	20	DEID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)NC[C@@H]1CCSC1	1518118126	JQHYFIPYNSSVJQ-JTQLQIEISA-N	317.407	2.136	70	20	DEID	
CC(C)(C)OC(=O)NCC(=O)N1CCc2c(F)cccc2C1	161073901	LKPRBELPAFHHAM-UHFFFAOYSA-N	308.353	2.235	70	20	DEID	
Cc1cc(C(=O)NC[C@@H]2CCOC2)nn1-c1ccc(F)cc1F	161115063	UMXFMXMPZDLXQU-NSHDSACASA-N	321.327	2.225	70	20	DEID	
C[C@H](NCc1ccccc1CN1CCC(O)CC1)[C@H]1CCOC1	161160772	SURFSSBKOJOUTP-YJBOKZPZSA-N	318.461	2.158	70	20	DEID	
CNC[C@@H]1CCCN1C(=O)c1cnn(-c2ccc(F)cc2)c1C	161218445	ADIKFFMXBSGHJD-HNNXBMFYSA-N	316.380	2.144	70	20	DEID	
C[C@H]1COCCN1C(=O)Cc1cccc(OC(F)(F)F)c1	161259459	QSYWWLYJMQHVDU-JTQLQIEISA-N	303.280	2.375	70	20	DEID	
CC[C@H](C)OCC(=O)Nc1ccc(C)c(NS(C)(=O)=O)c1	161341411	RCSIUDMUUOHMIW-NSHDSACASA-N	314.407	2.120	70	20	DEID	
Cc1ccc(NC(=O)C(=O)NCCn2cccc2)c(Cl)c1	160105497	SOCHXDLHSHXAPW-UHFFFAOYSA-N	305.765	2.205	70	20	DEID	
CC[C@H](C)[C@@H](O)CNC(=O)COc1ccc2c(c1)CCCC2	160449471	IBSUGWZCPSCSOZ-GUYCJALGSA-N	305.418	2.467	70	20	DEID	
CCCC1(CNC(=O)N2CCN(Cc3ccccn3)CC2)CC1	160722236	WIKQRFYWHDOOPU-UHFFFAOYSA-N	316.449	2.489	70	20	DEID	
C[C@H]1CCC[C@@H](C)N1C(=O)CCCNC(=O)c1cccnc1	160765892	JBBGIUHULQCABK-OKILXGFUSA-N	303.406	2.381	70	20	DEID	
CCNC(=O)N1CCc2ccc(NC(=O)[C@@H](N)[C@H](C)CC)cc21	160774621	CAFVNHAVMCJFNQ-ABAIWWIYSA-N	318.421	2.091	70	20	DEID	
Cc1cccc([C@H](NC(=O)C2=COCCO2)c2ccccn2)c1	159806667	XCCKGMIORSZIKD-KRWDZBQOSA-N	310.353	2.484	70	20	DEID	
CCn1nccc1CNCC1(N2CCOCC2)CCCCC1	159882515	FOVPHIKNJVOUNZ-UHFFFAOYSA-N	306.454	2.028	70	20	DEID	
Cc1cccc(NC(=O)NCC(=O)NCC2(C3CC3)CC2)c1	159901900	DBMVZPJCHATZFV-UHFFFAOYSA-N	301.390	2.423	70	20	DEID	
O=C(C[C@H]1COC(=O)C1)N[C@H]1CCSc2ccc(F)cc21	159798198	BCJLQYJETVHCCT-SKDRFNHKSA-N	309.362	2.432	70	20	DEID	
O=C(NCCCOc1ccccc1)N1CCCC[C@H]1CCO	217299808	HEACVUMJUVVCRA-HNNXBMFYSA-N	306.406	2.402	70	20	DEID	
CC(C)(C)N1C[C@@H](NC(=O)N2CCc3ccccc32)CC1=O	217286087	FJDSVZMUFDEPSG-ZDUSSCGKSA-N	301.390	2.158	70	20	DEID	
O=C(NC(C1CCC1)C1CCC1)c1cc(S(=O)(=O)F)c[nH]1	1123727196	HRQBAQFLMMSYBU-UHFFFAOYSA-N	314.382	2.372	70	20	DEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC[C@H]2CCC[C@H]21	1338389622	LKNCRACHQVSVKX-BXKDBHETSA-N	300.355	2.078	70	20	DEID	
Cc1cc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)cc2n[nH]cc12	1348034314	KJPKVBXJTULCTB-UHFFFAOYSA-N	322.321	2.110	70	20	DEID	
CCN(C)C(=O)CNCCN(C(=O)OC(C)(C)C)C(C)(C)C	217357013	BGOGNRDTIJTYEL-UHFFFAOYSA-N	315.458	2.090	70	20	DEID	
CCOC(=O)CCCNC(=O)c1ccc(C(F)(F)F)cn1	161098835	OKTOPSARKAFQKM-UHFFFAOYSA-N	304.268	2.174	70	20	DEID	
CCN(CC)C(=O)c1ccc(C(=O)N[C@@H](CO)CC(C)C)cc1	161162394	HCOGPVDCZKKJBL-MRXNPFEDSA-N	320.433	2.305	70	20	DEID	
CCCn1nc(C)c(C(=O)Nc2ccc(C(N)=O)cc2)c1C	161194213	SLDAFAZLSQBZDY-UHFFFAOYSA-N	300.362	2.261	70	20	DEID	
COc1ccc(NC(=O)CN2CCC(C)(O)CC2)cc1Cl	161210018	DHPOTIITGKNLFM-UHFFFAOYSA-N	312.797	2.134	70	20	DEID	
CN(C)[C@@H](CNC(=O)c1cc(F)cc2cccnc12)C1CC1	161212264	OGFZRUCOBUBSFZ-HNNXBMFYSA-N	301.365	2.444	70	20	DEID	
Cc1cccc(NC(=O)Cn2c(-c3cccnc3)noc2=O)c1C	161278014	FJUYYUXEKZNGKG-UHFFFAOYSA-N	324.340	2.154	70	20	DEID	
O=C1C[C@H](CC(=O)N2CC[C@H](Oc3ccccc3Cl)C2)CO1	161422862	JTSQQANYZCAGPD-RYUDHWBXSA-N	323.776	2.273	70	20	DEID	
CC(=O)NC1CCC(NCCCCNc2ccccn2)CC1	161423223	KTQBTZZEMZYJEZ-UHFFFAOYSA-N	304.438	2.311	70	20	DEID	
COC[C@H](O)CCNC(=O)/C=C/c1ccc(CC(C)C)cc1	161488151	YHWCXBIMVFHBEY-KBOKABMXSA-N	305.418	2.412	70	20	DEID	
C[C@H](CC(=O)NC[C@@H](O)CN1CCCCC1)c1ccccc1	160080720	HLVIQEQGPGJSLF-NVXWUHKLSA-N	304.434	2.143	70	20	DEID	
O=C(NC[C@H]1CCOC1)Nc1ccc(O[C@H]2CCOC2)cc1	160143838	NTXNGQALPYBBJT-DOMZBBRYSA-N	306.362	2.012	70	20	DEID	
Cn1cc(NC(=O)N2CCO[C@]3(CCc4ccccc43)C2)cn1	160365300	WVAJRFFSAABKHJ-QGZVFWFLSA-N	312.373	2.126	70	20	DEID	
CC(C)Oc1cc(CNC(=O)N[C@H](C)C2CCOCC2)ccn1	160462026	JUDLSUSLTCTJJW-CYBMUJFWSA-N	321.421	2.483	70	20	DEID	
CC(C)CC(=O)NCCC(=O)NC[C@H](C)N(C)c1ccccc1	160563071	YMRBRYINXGIRFL-HNNXBMFYSA-N	319.449	2.180	70	20	DEID	
O=C(CCCNC(=O)c1cccnc1)Nc1cccc2cn[nH]c12	160661470	MPQMRBABEYDCEU-UHFFFAOYSA-N	323.356	2.107	70	20	DEID	
C[C@H](NC(=O)Nc1ccn(CC(F)(F)F)n1)C1CCOCC1	160848826	RYHLIXLSKIIVPH-VIFPVBQESA-N	320.315	2.382	70	20	DEID	
CS(=O)(=O)c1ccc(NCCCOC2CCOCC2)cc1	159406154	PIWQOUAACFUICM-UHFFFAOYSA-N	313.419	2.088	70	20	DEID	
O=C(NCC1(CO)CCOCC1)Nc1ccc2c(c1)CCC2	159825959	JODADNUJUYESLH-UHFFFAOYSA-N	304.390	2.086	70	20	DEID	
Cc1ccccc1CN(C)C(=O)[C@@H](C)Nc1cc(C)n(C)n1	159632042	YIGUGQKKBPEPEJ-CQSZACIVSA-N	300.406	2.496	70	20	DEID	
CC(C)CCc1ccc(S(=O)(=O)N2CCC[C@H]2CO)cc1	159835903	JZWFJNORZFRSTH-HNNXBMFYSA-N	311.447	2.421	70	20	DEID	
C[C@H](CNc1ccccc1)NC(=O)NCCc1cscn1	159462595	LZLLQIQXBCYPLR-GFCCVEGCSA-N	304.419	2.485	70	20	DEID	
C[C@H]1C[C@H](C)CN(CCCNC(=O)[C@@H](O)c2ccccc2)C1	159666571	GDNDWSDXFIWWLD-ZOBUZTSGSA-N	304.434	2.204	70	20	DEID	
Cc1ccc(NC(=O)C(=O)NCc2ccc(C)c(F)c2)cn1	159893495	ISYBPBUNZGSMRK-UHFFFAOYSA-N	301.321	2.092	70	20	DEID	
CC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1ccncc1	159948899	UAICFFUOKMMMSJ-INIZCTEOSA-N	314.410	2.490	70	20	DEID	
Cc1noc(C)c1[C@@H](C)CNC(=O)NCCC1CCN(C)CC1	159770976	GQNMJRFIMCWOGJ-LBPRGKRZSA-N	322.453	2.426	70	20	DEID	
Cc1cc(CNC(=O)c2ccc(S(=O)(=O)F)cc2)cc(C)n1	864244280	QMUVNJGIKIJERU-UHFFFAOYSA-N	322.361	2.287	70	20	DEID	
O=C(CC[C@@H]1CCCCO1)Nc1ncc(S(=O)(=O)F)s1	953095846	LXZNQNKJGDIVIM-QMMMGPOBSA-N	322.383	2.089	70	20	DEID	
CSC[C@@H](C)NC(=O)NCCOc1ccc(Cl)cn1	161073169	HEDMURLELCAAHF-SECBINFHSA-N	303.815	2.165	70	20	DEID	
COCc1ccc([C@H]2CCCN2C(=O)COC[C@@H]2CCCO2)o1	161334425	OVTMRYLKIRWPSZ-DZGCQCFKSA-N	323.389	2.285	70	20	DEID	
Cc1cc(C[C@H](C)NC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)n[nH]1	161349806	CHEAFXRWRGXSCI-RAQOOLMWSA-N	303.406	2.161	70	20	DEID	
Cc1nc(CC(=O)NC[C@@H](O)c2ccc(F)cc2)c(C)s1	160135974	ZVIOHSJWGBBCJV-CQSZACIVSA-N	308.378	2.291	70	20	DEID	
O=C(NC[C@@H](O)CN1CCCCC1)c1cccc(F)c1Cl	160346955	LMQXNQCKLVZYGX-LLVKDONJSA-N	314.788	2.056	70	20	DEID	
CCCC1(CNC(=O)[C@@H](C)N2C(=O)[C@H]3CCCC[C@H]3C2=O)CC1	160659844	HFURQQZJJPIOCW-MCIONIFRSA-N	320.433	2.247	70	20	DEID	
CC(=O)N(Cc1ccc(NC(=O)[C@H]2CCCNC2)cc1)C(C)C	160955847	CTTWXDBSMKCXGH-INIZCTEOSA-N	317.433	2.382	70	20	DEID	
CN(CC(=O)N(C)CC(F)(F)F)Cc1cccc(N(C)C)c1	159822827	QJAPJXYLMZQATL-UHFFFAOYSA-N	317.355	2.205	70	20	DEID	
CN(C)CC[C@H](NC(=O)c1cnc2c(c1)ncn2C)C(C)(C)C	159857082	WQEOBQPKEKQCIZ-AWEZNQCLSA-N	317.437	2.065	70	20	DEID	
CCOC(=O)CN(C)CC(=O)N[C@H](c1ccc(F)cc1)C(C)C	159494221	IHJIEVBVOHSZKG-KRWDZBQOSA-N	324.396	2.134	70	20	DEID	
CC(C)CN(CC(N)=O)C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1	159705635	ITFLSGCBPGZABE-GHMZBOCLSA-N	308.344	2.325	70	20	DEID	
COc1ccc(C(=O)CCC(=O)Nc2c[nH]c(=O)c(C)c2)cc1	159547479	SINCKYDWULQSEM-UHFFFAOYSA-N	314.341	2.294	70	20	DEID	
CCOc1ccc(OCCN2CCCC[C@@H]2C(=O)OC)cc1	216903999	FIESGDIXQCPVRD-MRXNPFEDSA-N	307.390	2.492	70	20	DEID	
C[C@H]1CCCC[C@@H]1CNC(=O)c1ccc2[nH]c(=O)n(C)c2c1	161178171	OIQRSQHBJGPFLD-WCQYABFASA-N	301.390	2.423	70	20	DEID	
CCc1ncc(NC(=O)N[C@@H](COC)c2ccc(C)o2)cn1	161208158	YGSNEWUTIPPLHN-LBPRGKRZSA-N	304.350	2.450	70	20	DEID	
CCc1ccc(/C=C/C(=O)N2CCOC3(CCOCC3)C2)o1	161245537	ZQUMXQPRTIWROC-AATRIKPKSA-N	305.374	2.263	70	20	DEID	
COC(=O)c1ccc(C(=O)N[C@@H]2CCOC3(CCCC3)C2)nc1	161370238	OVVKOMKZMAVDEZ-CYBMUJFWSA-N	318.373	2.090	70	20	DEID	
CN(C(=O)Nc1ccccc1Cn1cncn1)[C@H]1CCSC1	161471691	WSEHEFIGKXPFQR-ZDUSSCGKSA-N	317.418	2.296	70	20	DEID	
O=S(=O)(NCCOc1ccccc1Cl)N1CCCCC1	160087920	ZVRJRDQUTIUMCB-UHFFFAOYSA-N	318.826	2.039	70	20	DEID	
CC(C)(CO)CNC[C@@H](O)COc1cc(Cl)ccc1Cl	160162569	BANVVMWYRGSKBL-LLVKDONJSA-N	322.232	2.341	70	20	DEID	
Cn1cnc2cc(C(=O)N[C@@H]3C[C@H]3c3cccc(F)c3)cnc21	160255702	ZTGXAOMVEWBDDR-UONOGXRCSA-N	310.332	2.393	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)c1ccccc1-c1nc(C)no1	160419077	LONUKVJILDBCBG-JTQLQIEISA-N	317.345	2.117	70	20	DEID	
Cc1c(C(=O)NC[C@H](C)CO)cnn1-c1cccc(Cl)c1	160512933	IAVQSBFNCWOXTO-JTQLQIEISA-N	307.781	2.192	70	20	DEID	
Cc1cc(NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)c[nH]c1=O	159633236	NZKFJZWZGOQWPW-UHFFFAOYSA-N	321.336	2.291	70	20	DEID	
O=C(CNc1cccc(F)c1)N[C@@H]1c2ccccc2C[C@H]1O	159852531	XFSPCEBFSHGHFB-NVXWUHKLSA-N	300.333	2.012	70	20	DEID	
CC(=O)N1CC[C@@H](NC(=O)[C@@H](C)c2cc3ccccc3o2)C1	159853892	MFGUVJLZGUEXBK-SMDDNHRTSA-N	300.358	2.273	70	20	DEID	
C[C@H](CO)CNC(=O)c1c[nH]c2cccc(Br)c12	159575107	VNROGIVZMLXGRD-QMMMGPOBSA-N	311.179	2.289	70	20	DEID	
N#Cc1ccc(CC(=O)Nc2cccc(S(=O)(=O)F)c2)cc1	460092291	LXUXFZUFDJJNAZ-UHFFFAOYSA-N	318.329	2.398	70	20	DEID	
CCSCCCNC(=O)c1ccc(S(=O)(=O)F)cc1	865210666	MMNRFLVPIBNLME-UHFFFAOYSA-N	305.396	2.218	70	20	DEID	
O=C(Cc1ccc(S(=O)(=O)F)cc1)NCCCC(F)F	1121231607	PDQUPUXUVSPDFZ-UHFFFAOYSA-N	309.309	2.049	70	20	DEID	
C#CCN(CC1CC1)C(=O)c1ccc(S(=O)(=O)F)cc1C	1121083949	GBXQWMWGMBMXKG-UHFFFAOYSA-N	309.362	2.139	70	20	DEID	
CC(C)CC(C)(C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1354469397	KFWJVNAEFUWFSK-UHFFFAOYSA-N	304.387	2.475	70	20	DEID	
CCOCC(C)(C)CNC(=O)c1cccc(S(=O)(=O)F)c1	1517955992	MGKZXPITDJWNJZ-UHFFFAOYSA-N	317.382	2.137	70	20	DEID	
CC[C@@H]1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1528214672	LTKSFIANJDKOGO-NXEZZACHSA-N	302.371	2.229	70	20	DEID	
CCCOc1ccc(O[C@H]2CCCC[C@H]2NC(=O)CN)cc1	161032088	INTMBSAGGQUKPK-CVEARBPZSA-N	306.406	2.240	70	20	DEID	
CCN(C(=O)CCCNC(=O)c1cccnc1)C1CCCC1	161211048	UNEOONZJPSPZDF-UHFFFAOYSA-N	303.406	2.383	70	20	DEID	
CC[C@@H](NC(=O)[C@H](C)NC(=O)c1ccco1)c1c(C)noc1C	160105486	JMTUHLSIRXUKBS-CMPLNLGQSA-N	319.361	2.270	70	20	DEID	
Cc1ccc([C@H](O)CNC(=O)NCCCC(=O)OC(C)C)cc1	160160950	JZYAPUSIKYWKQN-OAHLLOKOSA-N	322.405	2.059	70	20	DEID	
Cc1cnccc1CCNC(=O)NC[C@H](C)N1CCC(C)CC1	160213778	BYGAEBOSSJADIT-INIZCTEOSA-N	318.465	2.352	70	20	DEID	
CC(=O)c1cccc(OCC(=O)NCCCC(C)(C)CO)c1	160393861	KRGVNJQNVPCMSZ-UHFFFAOYSA-N	307.390	2.183	70	20	DEID	
CC(C)C(=O)N(C)Cc1ccc(C(=O)Nc2cn[nH]c2)cc1	160402297	QQFVUAYMTFHKKZ-UHFFFAOYSA-N	300.362	2.276	70	20	DEID	
COc1c(C(=O)Nc2cccc(OCCF)c2)c(C)nn1C	160431601	HDRQCRHCUYXRTM-UHFFFAOYSA-N	307.325	2.338	70	20	DEID	
COC[C@@H](NC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1)C1CC1	160470641	BMARHGUNDQKXGV-HZPDHXFCSA-N	320.389	2.401	70	20	DEID	
CCC(N)(CC)CNC(=O)[C@H]1CCCC[C@H]1C(=O)N1CCCC1	160478588	WGGXKBMDHJNZPE-LSDHHAIUSA-N	323.481	2.049	70	20	DEID	
CCC(CC)CNC(=O)N1CCNC(=O)[C@H]1c1ccccc1	160536731	SOZNWGXUAKRPAH-OAHLLOKOSA-N	303.406	2.305	70	20	DEID	
Cc1n[nH]c(C)c1NC(=O)Nc1ccc(-c2ncn(C)n2)cc1	160600159	LQAMVNNTMRGEPG-UHFFFAOYSA-N	311.349	2.466	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)C1(c2ccc(C)c(OC)c2)CC1	160601907	MSOVRCGEPZWRDA-ZDUSSCGKSA-N	319.401	2.493	70	20	DEID	
COC(=O)CN(C(=O)c1cc(-c2ccco2)[nH]n1)C1CCCC1	160825642	PXGNPWZJJVHEJP-UHFFFAOYSA-N	317.345	2.228	70	20	DEID	
CC(C)(C)C[C@@H](CO)NC(=O)Nc1cccc(-n2ccnn2)c1	159494874	FVKHIGQSIWCLMT-ZDUSSCGKSA-N	317.393	2.186	70	20	DEID	
CCOCCC1(CNC(=O)c2cccc3c2OCCO3)CC1	159367852	DQKAQSVZLKPXOX-UHFFFAOYSA-N	305.374	2.394	70	20	DEID	
CCC(=O)N1CC[C@H](C(=O)NCCOc2ccccc2Cl)C1	159381012	ABNJHQKMQDIFRQ-LBPRGKRZSA-N	324.808	2.094	70	20	DEID	
C=CCC[C@@H]1CCCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1	1347756074	WXBXVEJPBMJRDV-SNVBAGLBSA-N	300.355	2.244	70	20	DEID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N[C@]1(C#N)CC1(C)C	1262799190	WUNAOVILAWDORT-AWEZNQCLSA-N	310.350	2.075	70	20	DEID	
COCCCN(C)C(=O)c1cc(S(=O)(=O)F)ccc1Cl	1348604763	OFDUFVPIMPFXPE-UHFFFAOYSA-N	323.773	2.107	70	20	DEID	
CC1CCN(CCCNC(=O)NCc2ccccc2CO)CC1	161121877	VPEWTMJWTZPKLJ-UHFFFAOYSA-N	319.449	2.100	70	20	DEID	
O=C(c1ccnc(OC2CCC2)c1)N1CCOC[C@@H]1C1CC1	161282290	BYMVPWHDAGQCEH-OAHLLOKOSA-N	302.374	2.264	70	20	DEID	
O=c1onc(-c2cccnc2)n1CCOc1ccc(F)cc1	161305088	AOHOWGQIMFKGLT-UHFFFAOYSA-N	301.277	2.116	70	20	DEID	
Cc1ccc(-c2n[nH]c(NC(=O)Cn3ccccc3=O)c2C)o1	161357482	XKJZNEJRDIPYPA-UHFFFAOYSA-N	312.329	2.087	70	20	DEID	
C[C@@H]1CN(CCCN2CCCCC2)CCN1CC(F)(F)F	161461320	FILKNHGLKQZHCG-CQSZACIVSA-N	307.404	2.431	70	20	DEID	
C[C@H](NC(=O)NCCO)[C@@H](C)c1ccccc1C(F)(F)F	160031961	IHRVVPOLHSEWLY-ZJUUUORDSA-N	304.312	2.489	70	20	DEID	
CC(C)[C@@H](CNC(=O)[C@@H](C)c1ccsc1)N1CCN(C)CC1	160055874	PZQZATFZBUQPHW-GOEBONIOSA-N	323.506	2.240	70	20	DEID	
CCc1noc(C)c1CS[C@H](C)C(=O)NCCCOC	160073820	NOGXGTSZMRQMTL-LLVKDONJSA-N	300.424	2.320	70	20	DEID	
Cc1cc(C)n([C@@H](C)C(=O)N(C)c2ccc3c(c2)OCO3)n1	160085454	NCXURSIPMZJMDK-LBPRGKRZSA-N	301.346	2.453	70	20	DEID	
CC[C@@H](NC(=O)[C@H](C)Sc1nncn1C)c1c(C)noc1C	160402967	JNRKXUIMZGLTAF-WDEREUQCSA-N	323.422	2.168	70	20	DEID	
O=C1CCCC[C@H]1[C@@H]1COCCN1C(=O)c1cc(Cl)c[nH]1	160412580	MOZHGBRMJLCLOH-AAEUAGOBSA-N	310.781	2.268	70	20	DEID	
CCC(CC)(CCO)CNC(=O)N[C@@H]1CCO[C@H](C2CC2)C1	160499351	BLXKCTSYBBVDFA-CABCVRRESA-N	312.454	2.432	70	20	DEID	
COC[C@@H](C)NC(=O)NC[C@H](C)COc1ccccc1OC	160570723	FBHXLNTYLZKVHI-QWHCGFSZSA-N	310.394	2.044	70	20	DEID	
CC[C@]1(C)C[C@@H]1C(=O)NCCNC(=O)c1ccc(C)c(F)c1	160863262	JKSPPUMCXVKQJM-CXAGYDPISA-N	306.381	2.416	70	20	DEID	
CC(C)n1c(SCc2nncn2C)nc2ccccc2c1=O	160971408	VLFFYDKDAIALJZ-UHFFFAOYSA-N	315.402	2.398	70	20	DEID	
CN(C(=O)N[C@H]1CCCSC1)[C@H]1CCCc2c1cnn2C	159427669	VCXMVGUCHLNIQI-AAEUAGOBSA-N	308.451	2.335	70	20	DEID	
CCCCC[C@H](C)NC(=O)Cc1cccc(OCC(=O)NC)c1	159549464	LYVPKQKCZUGJSC-AWEZNQCLSA-N	320.433	2.439	70	20	DEID	
CC(C)(C)c1cc(NC(=O)NCCCNC(=O)C2CCC2)no1	159387723	QRKSYRNVXSIKPR-UHFFFAOYSA-N	322.409	2.400	70	20	DEID	
CC[C@H](C(=O)Nc1ccc(C(C)(C)C(=O)OC)cc1)N(C)C	160043436	NXXJEGDIAMGCJZ-CQSZACIVSA-N	306.406	2.416	70	20	DEID	
CCCn1nccc1CNC[C@@H]1CCN(CC(F)(F)F)C1	160089576	IIONRLNQVMHOCP-LBPRGKRZSA-N	304.360	2.267	70	20	DEID	
Cn1cc(-c2ncc(C(=O)NCC3(C4CC4)CC3)s2)cn1	160178201	NWZVLUIEYVGHCS-UHFFFAOYSA-N	302.403	2.464	70	20	DEID	
CCC[C@@H](N[C@@H](C)COC)C(=O)N1CCc2sccc2C1	160206763	LISACHJIEPRHLC-GXTWGEPZSA-N	310.463	2.426	70	20	DEID	
CCOc1ccc(CNC(=O)N2CCC[C@@](C)(O)C2)cc1OC	160228168	NTCJSRUPGCQLSL-QGZVFWFLSA-N	322.405	2.150	70	20	DEID	
Cc1nn(C)c(C)c1[C@H](OC(=O)c1cnccn1)C(F)(F)F	160231664	LWJXRAMCRKJDII-NSHDSACASA-N	314.267	2.287	70	20	DEID	
O=S(=O)(Nc1ccn(CC(F)(F)F)n1)c1ccccc1F	160249761	WAWDWMOIXWHGDN-UHFFFAOYSA-N	323.271	2.385	70	20	DEID	
Cc1ccc(C(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)cc1Cl	160592212	ZHIJPEIXRRASON-OCCSQVGLSA-N	306.793	2.389	70	20	DEID	
O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)N(CCO)C1CC1	160800897	DEDFUGFTGGVVEK-GDBMZVCRSA-N	304.390	2.073	70	20	DEID	
Cc1ccccc1-n1cnnc1SCc1nnc(C)n1C	160938516	NKXHUHHYHNHIFX-UHFFFAOYSA-N	300.391	2.305	70	20	DEID	
Cc1nnc(CSc2nnc(NCC(F)(F)F)s2)n1C	160986341	LTZFLRNGPMNTEJ-UHFFFAOYSA-N	324.357	2.242	70	20	DEID	
Cc1cc(NC(=O)CN(C(=O)OC(C)(C)C)C2CC2)c[nH]c1=O	159846375	OIBZSRMNHRSZDJ-UHFFFAOYSA-N	321.377	2.021	70	20	DEID	
CCOc1ccc(S(=O)(=O)NC[C@H](C)CO)c2ccccc12	159720806	HAISRIVJBMOGKV-LBPRGKRZSA-N	323.414	2.145	70	20	DEID	
COc1cc(N)c(Cl)cc1C(=O)N[C@H]1[C@@H]2CCO[C@@H]2C1(C)C	159547830	LRFJJUMQBWQXPR-YZMDESFKSA-N	324.808	2.474	70	20	DEID	
CCn1c(C)nnc1S[C@H]1CCCN(CC(F)(F)F)C1=O	159591129	GMVQJHFHBZJTDU-VIFPVBQESA-N	322.356	2.252	70	20	DEID	
O=C1CC[C@@H]2CN(Cc3nc(Cl)ccc3Cl)CC[C@@H]2N1	160167135	BHASNAWNTVCNCG-KOLCDFICSA-N	314.216	2.489	70	20	DEID	
CC(C)n1ccc(NC(=O)c2ccc(S(=O)(=O)F)cc2)n1	864242182	XLWFAWCCXHKGEZ-UHFFFAOYSA-N	311.338	2.375	70	20	DEID	
O=C(CCc1ccc(S(=O)(=O)F)cc1)NC1C[C@H]2C[C@@H]2C1	1340770004	OMINFZMPZJUYTL-VXGBXAGGSA-N	311.378	2.192	70	20	DEID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N[C@@H]1CCS[C@@H]1C	1340768229	CWUYITQGBBZEGH-BXKDBHETSA-N	317.407	2.277	70	20	DEID	
O=C(Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccon1	161055285	YIPLXYOBTGZXGM-UHFFFAOYSA-N	314.345	2.242	70	20	DEID	
C[C@@H](N[C@H](CCO)c1ccccc1)c1ccc(-n2cnnn2)cc1	161081768	QLPJGRLREVPUNO-RDTXWAMCSA-N	323.400	2.437	70	20	DEID	
CC(C)OC(=O)[C@H](C)N(C)C(=O)Cc1ccc(O)cc1Cl	161409054	YNAQHCWYLPUPGJ-JTQLQIEISA-N	313.781	2.387	70	20	DEID	
O=C(CSc1ccncc1)Nc1nnc([C@H]2CCCO2)o1	160018781	PCXMALADCCVUCY-SNVBAGLBSA-N	306.347	2.047	70	20	DEID	
NC(=O)c1cccc(NC(=O)Cc2ccc(F)cc2Cl)n1	160298158	OBPVHNDMZAGADI-UHFFFAOYSA-N	307.712	2.154	70	20	DEID	
COCCn1c(C)c(C)c2cc(C(=O)N(C)[C@@H](C)CO)ccc21	160369303	FOAOPBYAYVIYTI-LBPRGKRZSA-N	318.417	2.357	70	20	DEID	
CC(C)CN1CCC[C@@H]1CNC(=O)Cc1c[nH]c2ncccc12	160372341	GQDXCGWVHFLUTL-OAHLLOKOSA-N	314.433	2.342	70	20	DEID	
CCn1nc(C)c([C@@H](C)N[C@H]2CCc3nc(C)nn3C2)c1C	160515776	NQMNYGRJPWSYCX-YGRLFVJLSA-N	302.426	2.085	70	20	DEID	
O=C1CC[C@@H]2CN(C(=O)c3c(F)cccc3Cl)CC[C@H]2N1	160604584	OCGNCMIFGPZIRO-BXKDBHETSA-N	310.756	2.220	70	20	DEID	
CCOC(=O)NCCCC(=O)N(C)c1ccc(F)c(F)c1	160743611	DYSHVUJQKSPQCS-UHFFFAOYSA-N	300.305	2.454	70	20	DEID	
CCc1cc(NC(=O)CCc2nc([C@@H](C)OC)no2)nc(C)n1	160849635	MPZIHAHCFUAXFF-SECBINFHSA-N	319.365	2.009	70	20	DEID	
COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ccncc1C	160919267	FGSQLEDKMNIZJX-UHFFFAOYSA-N	324.333	2.117	70	20	DEID	
C[C@@]1(CNC(=O)NCCCOC[C@H]2CCCO2)CCCS1	159423363	OOBMKEKNCAOVSU-HIFRSBDPSA-N	316.467	2.157	70	20	DEID	
CCC(CC)(CNCC(=O)NCc1ccc(C)cc1)C(=O)OC	159652404	PAVCRNYMVJTBGM-UHFFFAOYSA-N	320.433	2.180	70	20	DEID	
COc1ccsc1S(=O)(=O)Nc1ccc2[nH]ncc2c1	159723745	QYRACPFKUYJOGW-UHFFFAOYSA-N	309.372	2.434	70	20	DEID	
CC(C)CONC(=O)Nc1cccc(S(=O)(=O)C(F)F)c1	159925470	PXWDLCGDTJASLE-UHFFFAOYSA-N	322.333	2.392	70	20	DEID	
COC(=O)[C@H]1CCCN1C(=O)c1cc(F)cc2cccnc12	159379606	ONHULVNLIPZMMM-CYBMUJFWSA-N	302.305	2.152	70	20	DEID	
CCc1ccc(S(=O)(=O)NCc2ccc(CN)cc2)cc1	159589897	QVFHOLMIAHDPSE-UHFFFAOYSA-N	304.415	2.186	70	20	DEID	
CC[C@](C)(CN)C(=O)NCCc1ccc(OC(F)F)cc1	217094326	RUEXKAUUFHZALK-OAHLLOKOSA-N	300.349	2.322	70	20	DEID	
CO[C@H]1CCC[C@@H](C(=O)Nc2cccc(S(=O)(=O)F)c2)C1	460093726	OSQQCOYCDSBSKU-PWSUYJOCSA-N	315.366	2.489	70	20	DEID	
CCOCC(C)(C)CNC(=O)c1ccc(S(=O)(=O)F)cc1	864241750	JXGYJLUCYXCEEE-UHFFFAOYSA-N	317.382	2.137	70	20	DEID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N[C@H]1CCCSC1	1338834280	MMUJZUSLPIUNJO-JTQLQIEISA-N	317.407	2.279	70	20	DEID	
CN(CCCCS(C)(=O)=O)CCOc1cccc(Cl)c1	161296204	XLUVEZQGQHINKQ-UHFFFAOYSA-N	319.854	2.475	70	20	DEID	
C[C@@H](CNC(=O)[C@H]1[C@@H](N)[C@H]2CC[C@@H]1C2)Oc1ccc(F)cc1	161122209	KJMHLKFKYQVTPN-GNNBREFNSA-N	306.381	2.083	70	20	DEID	
O=C1CCc2cc(NC(=O)c3cncc(O)c3)c(F)cc2N1	161132581	HBPOTDFGXPOVLK-UHFFFAOYSA-N	301.277	2.063	70	20	DEID	
CCCc1c(C(=O)N[C@@H]2CCC[C@@H](N)C2)[nH]c(C)c1C(C)=O	161509283	TWTFIVGAFGLIOA-CHWSQXEVSA-N	305.422	2.478	70	20	DEID	
C[C@@H]1CN(C(=O)NCCn2ccnc2)C[C@H](c2ccsc2)O1	160188317	MTPCPIGTNXNZFD-TZMCWYRMSA-N	320.418	2.116	70	20	DEID	
C[C@@]1(O)CCCN(C(=O)NCc2ncc(-c3ccccc3)o2)C1	160516785	IOPNAQRGZCCZRM-QGZVFWFLSA-N	315.373	2.398	70	20	DEID	
O=C(NCC1(CO)CCOCC1)Nc1ccc(F)cc1Cl	159682273	NGZGNGFUCDJXJN-UHFFFAOYSA-N	316.760	2.390	70	20	DEID	
CC(C)CN(CC(N)=O)C(=O)CCc1ccc(Cl)s1	159704255	PHTBTYVKURQUIY-UHFFFAOYSA-N	302.827	2.304	70	20	DEID	
Cc1ccc(S(=O)(=O)NCC2(O)CCCCC2)c(F)c1	159817848	HZPNKWHPZYEVEU-UHFFFAOYSA-N	301.383	2.108	70	20	DEID	
Cc1cccc(CCNC(=O)NCCNC(=O)OC(C)(C)C)c1	217263866	BYIBEYAPUSCAKU-UHFFFAOYSA-N	321.421	2.361	70	20	DEID	
O=C(/C=C/c1cncs1)Nc1ccc(S(=O)(=O)F)cc1	460097101	VUBDNQWSFBALMA-ZZXKWVIFSA-N	312.347	2.453	70	20	DEID	
O=[N+]([O-])c1ccc(NCC(F)(F)F)c(CS(=O)(=O)F)c1	881846161	MFTNZJCDBCLTCL-UHFFFAOYSA-N	316.232	2.368	70	20	DEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC=CC12CCCCC2	1350079912	FPPUIISWNBNUFL-UHFFFAOYSA-N	312.366	2.388	70	20	DEID	
Cc1ncc(/C=C/C(=O)N[C@@H]2CCN(c3ccccn3)C2)s1	161316640	WMYQTCOLXJBMTM-URWSZGRFSA-N	314.414	2.255	70	20	DEID	
CN(C)c1ccc(C(=O)N[C@H]2CCC[C@@H](N(C)C)C2)c(F)c1	161497139	MXUYRRGNXNNAQW-QWHCGFSZSA-N	307.413	2.494	70	20	DEID	
CN1CCC[C@@H]1C(=O)NC[C@H](O)c1c(Cl)cccc1Cl	160216643	ARHXQIPTNPDDPN-NEPJUHHUSA-N	317.216	2.237	70	20	DEID	
CC[C@@H](C)c1cc(C(=O)N2CCC[C@H](c3nncn3C)C2)on1	160337468	CRQZJEUKCACIQV-NEPJUHHUSA-N	317.393	2.336	70	20	DEID	
Cc1cccnc1NC(=O)c1ccc(F)c(NS(C)(=O)=O)c1	160338872	MTWQZLUVKNSUTR-UHFFFAOYSA-N	323.349	2.153	70	20	DEID	
C[C@H](CO)N(C)C(=O)c1cccc(OCc2cccnc2)c1	160493633	MULHKOPNPIQMKX-CYBMUJFWSA-N	300.358	2.113	70	20	DEID	
C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cn1)C1CCOCC1	160793820	IHJRIDHKXPUETE-LBPRGKRZSA-N	317.389	2.210	70	20	DEID	
CCOC(=O)CN(C)[C@H](C)C(=O)Nc1ccc(SC)cc1	159487119	GDPPLYGCDLAJRS-LLVKDONJSA-N	310.419	2.230	70	20	DEID	
COc1ccc(N(C)C(=O)c2ccc3nncn3c2)cc1F	159714417	ADCNZJFRNVVEMM-UHFFFAOYSA-N	300.293	2.154	70	20	DEID	
O=C(NC(c1cccs1)c1cccs1)[C@@H]1CNCCO1	159927331	JOBLVDDRKLRDEM-JTQLQIEISA-N	308.428	2.004	70	20	DEID	
O=C(NC[C@@H](O)c1ccsc1)c1cccnc1N1CCCC1	159533218	OBYPWKKTZFFZFG-CQSZACIVSA-N	317.414	2.207	70	20	DEID	
CC(=O)NCCCNC(=O)CCc1c[nH]c2c(C)cccc12	159932344	RUSJVZNQKIFSQB-UHFFFAOYSA-N	301.390	2.051	70	20	DEID	
CC(C)CN(CC(N)=O)C(=O)c1cc2c(s1)CC[C@@H](C)C2	159772443	RLAMMUUSZUYUDN-LLVKDONJSA-N	308.447	2.456	70	20	DEID	
NC[C@@H]1CCCN(C(=O)Cc2ccccc2Br)C1	217268468	MIQCLMCWKFONFU-NSHDSACASA-N	311.223	2.189	70	20	DEID	
c1ccc(-c2cc(N3C[C@H]4CNC[C@@H]4C3)n3nccc3n2)cc1	216922629	ZBCXYHNYJJPTFM-HUUCEWRRSA-N	305.385	2.052	70	20	DEID	
O=C([C@@H]1CSCN1)N1CCc2ccc(Br)cc21	159990687	XFXNMTDYFPCZTJ-JTQLQIEISA-N	313.220	2.001	70	20	DEID	
N#C[C@@H](NC(=O)c1ccc(S(=O)(=O)F)cc1)C1CCCC1	893710566	UHUGFWBAAOYNFX-CYBMUJFWSA-N	310.350	2.157	70	20	DEID	
CO[C@@H](C)CCNC(=O)c1cc(S(=O)(=O)F)ccc1Cl	1337460101	GJRLEDQPGHHKLC-QMMMGPOBSA-N	323.773	2.153	70	20	DEID	
Cc1ccc(F)c(S(=O)(=O)NC[C@H](O)Cc2ccccc2)c1	161063808	IJPHNBWWXCWWRJ-CQSZACIVSA-N	323.389	2.016	70	20	DEID	
C[C@@H](N[C@H]1CCC[C@H](N(C)C)C1)c1ccc(-n2cnnn2)cc1	161119772	LQCMRRUTVZJWTA-KMFMINBZSA-N	314.437	2.186	70	20	DEID	
CCc1n[nH]c(-c2ccccc2NC(=O)CN(CC)CC)n1	161194074	ZDNMENQEBFFYRM-UHFFFAOYSA-N	301.394	2.314	70	20	DEID	
CN(C)CCCC1CCN(C(=O)NCCc2nccs2)CC1	161353909	UBDSMVWBQMYVRR-UHFFFAOYSA-N	324.494	2.449	70	20	DEID	
Cc1ccccc1[C@H]1CN(C(=O)[C@@H]2CCCNC2)[C@@H](C)CO1	161469798	SFALZMSMOAJHBX-ZMSDIMECSA-N	302.418	2.283	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)c1cc(O)nc2ccccc12	160003536	RGOAFJTXOJIUSD-SNVBAGLBSA-N	302.330	2.012	70	20	DEID	
O=C(N[C@H]1CCOC2(CCCC2)C1)[C@H]1CCCc2[nH]ncc21	160026850	YCKLPAPBXKHFKF-STQMWFEESA-N	303.406	2.438	70	20	DEID	
CCOc1c(Cl)cc(C(=O)N2CC[C@@H](NC)C2)cc1OC	160521040	DRLDJWJKUIZYKS-LLVKDONJSA-N	312.797	2.181	70	20	DEID	
C[C@@H](Oc1cccnc1)C(=O)N(C)c1ccc2c(c1)OCO2	160584806	PICXSGNMGLUZHV-LLVKDONJSA-N	300.314	2.241	70	20	DEID	
CC(C)c1cc(=O)n(CC(=O)N(C)Cc2ccccc2F)cn1	160726405	DFTSTUCMRGAGRD-UHFFFAOYSA-N	317.364	2.164	70	20	DEID	
CCCC1(CNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)CC1	160728569	ZVTBFIVNULUJFV-ZDUSSCGKSA-N	304.390	2.325	70	20	DEID	
Cc1nc(CC(=O)N2CCC[C@H](n3cccn3)C2)c(C)s1	160728819	FFAVKVZXSOLCIY-ZDUSSCGKSA-N	304.419	2.363	70	20	DEID	
CCC(=O)c1cccc(NC(=O)CSc2nc(C)n[nH]2)c1	160743254	PRLSBVIPXAWLMI-UHFFFAOYSA-N	304.375	2.437	70	20	DEID	
O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)N1CCC[C@H](CO)C1	160745452	XXSFLJRSWKBTBF-XIRDDKMYSA-N	318.417	2.321	70	20	DEID	
CCC[C@H]1C(=O)NCCN1C(=O)Nc1ccc2[nH]ccc2c1	160772823	FRNONPLWIRXHKP-AWEZNQCLSA-N	300.362	2.300	70	20	DEID	
CCc1cc(C)c(C(=O)N2CSC[C@H]2C(=O)NCC(C)C)o1	159633964	QAPCKTBAAJSCHY-ZDUSSCGKSA-N	324.446	2.438	70	20	DEID	
Cc1nc(-c2cccc(NC(=O)NO[C@H]3CCCCO3)c2)n[nH]1	159482268	APFOLDVUZSJQKW-ZDUSSCGKSA-N	317.349	2.360	70	20	DEID	
O=C(N[C@H](C[C@@H]1CCOC1)c1ccccc1)c1cnsn1	159555232	FPQCMTNSBNERMX-WCQYABFASA-N	303.387	2.436	70	20	DEID	
COC(=O)c1csc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2C)c1	159759022	DDJREGBYHWQENY-ONGXEEELSA-N	324.402	2.168	70	20	DEID	
Cc1ccc(N2CC[C@H](N(C)C[C@@H]3CCC[C@@H]3O)C2=O)cc1	159588793	CWIJMQSHMAWKOZ-XIRDDKMYSA-N	302.418	2.193	70	20	DEID	
CCOc1ccc(C(=O)Nc2cccc(S(=O)(=O)F)c2)cn1	1320784666	ZCKKSXWAGZRYLL-UHFFFAOYSA-N	324.333	2.391	70	20	DEID	
CCCO[C@@H]1CCCN(C(=O)[C@H]2CCn3ccnc3C2)CC1	161510811	OIBZSZVRKWDMJW-LSDHHAIUSA-N	305.422	2.253	70	20	DEID	
Cc1ccc([C@@H](O)CNC(=O)NCCCC(=O)OC(C)C)cc1	160161035	JZYAPUSIKYWKQN-HNNXBMFYSA-N	322.405	2.059	70	20	DEID	
CCC[C@H](C)N1C[C@@H](C(=O)NCCc2cccc(O)c2)CC1=O	160237835	CLPKNOAMQBZBJG-ZFWWWQNUSA-N	318.417	2.088	70	20	DEID	
CCOC(=O)C1(C(=O)Nc2nnc(C(F)(F)F)s2)CCC1	160370841	QINKWWCQZYTASP-UHFFFAOYSA-N	323.296	2.229	70	20	DEID	
C[C@@]1(NC(=O)Nc2cccc(Cn3cccn3)c2)CCOC1	160569895	HUZFDVIEXDOOFE-MRXNPFEDSA-N	300.362	2.232	70	20	DEID	
O=C1CC[C@H]2CN(C(=O)Nc3ccc(Cl)cc3)CC[C@@H]2N1	160700040	QRVGUEQWAFDVGR-GWCFXTLKSA-N	307.781	2.472	70	20	DEID	
CCOc1ccc(/C=C/C(=O)NC[C@@H](C)CCO)cc1OC	160938270	CBRZJMVQFMSONM-CFNZNRNTSA-N	307.390	2.242	70	20	DEID	
COc1cc(CCC(=O)N2CCC[C@H](C(N)=O)C2)ccc1Cl	160997981	PGPHFXRIKCUCFB-LBPRGKRZSA-N	324.808	2.005	70	20	DEID	
Cc1ccc([C@@H](C)N(C)C(=O)NC[C@H]2CCCS2(=O)=O)cc1	159801387	AUMCWPPWMISPGM-UKRRQHHQSA-N	324.446	2.275	70	20	DEID	
O=C(NCCOCCO)Nc1ccc(Cl)cc1-n1cccc1	159410450	DTDGASWGKAOARA-UHFFFAOYSA-N	323.780	2.261	70	20	DEID	
COCCN(CCN(C)C)C(=O)Nc1ccnc(C)c1Cl	159615281	UUINKKPBOBNLAX-UHFFFAOYSA-N	314.817	2.085	70	20	DEID	
C[C@H](NC(=O)N1CCCN(CC(F)F)CC1)c1ccccn1	159830164	XDEMKFWPXCJUCX-LBPRGKRZSA-N	312.364	2.125	70	20	DEID	
O=C(N[C@H]1CCC[C@H]2OCC[C@H]12)c1cc(-c2ccco2)[nH]n1	159834165	CHNQFSIBBGWCAO-UHIISALHSA-N	301.346	2.357	70	20	DEID	
CCN(CC)C(=O)CN(C)C(=O)[C@H]1C[C@H]1c1sccc1C	159857443	JFFGVWXAGDYMAO-OLZOCXBDSA-N	308.447	2.487	70	20	DEID	
CCc1nc([C@@H](C)NC(=O)NC[C@@](C)(O)CSC)cs1	159667825	GIJHQURYQVCGCZ-NOZJJQNGSA-N	317.480	2.180	70	20	DEID	
CCN(CCS(C)(=O)=O)C(=O)Nc1ccc(F)c(Cl)c1	159921037	ABMMDEOERCJVAN-UHFFFAOYSA-N	322.789	2.378	70	20	DEID	
CC(C)C[C@H](CCO)CNC(=O)N[C@@H]1CCO[C@H](C2CC2)C1	159787810	HZFFVZJMQUHJCT-IMJJTQAJSA-N	312.454	2.288	70	20	DEID	
CO[C@H](CC(C)C)C(=O)Nc1cccc(S(=O)(=O)F)c1	460096758	XVBRMMGMELBWSC-GFCCVEGCSA-N	303.355	2.344	70	20	DEID	
CC[C@H](NC(=O)c1ccc(S(=O)(=O)F)cc1)[C@H]1CCCO1	864242472	GTDUVEXQHHKXQK-QWHCGFSZSA-N	315.366	2.032	70	20	DEID	
COC[C@@H](C)CC(=O)Nc1ccc(F)c(CS(=O)(=O)F)c1	876319503	ZJNSOWCVNAEFLC-VIFPVBQESA-N	321.345	2.236	70	20	DEID	
COc1ccc(C)cc1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1337726301	MLVYUEDQVOMMPC-UHFFFAOYSA-N	312.322	2.242	70	20	DEID	
Cc1ccccc1[C@@H]1C[C@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1348404270	DFRBQJMTICVAQO-QWHCGFSZSA-N	322.361	2.267	70	20	DEID	
CN(C)c1ncc(NC(=O)c2csc([C@H]3CCCO3)n2)cn1	161496517	JYEQNRZJRPOKBF-LLVKDONJSA-N	319.390	2.103	70	20	DEID	
CN(C(=O)Cc1c[nH]c2ncccc12)c1ccc2c(c1)OCO2	160242335	RQCFPKXJUGAFFI-UHFFFAOYSA-N	309.325	2.497	70	20	DEID	
CCCNC(=O)CCCC(=O)N(C)c1ccc2c(c1)OCO2	160471009	GLECGHRCLZHBQF-UHFFFAOYSA-N	306.362	2.075	70	20	DEID	
C[C@H]1CC(NC(=O)Nc2ccc(C(N)=O)c(F)c2)C[C@H](C)O1	160514669	CFJUNLBSRUBCGQ-IUCAKERBSA-N	309.341	2.002	70	20	DEID	
CC[C@@H](NC(=O)CCSCC(=O)OC)c1c(C)noc1C	160762627	YUMMPSHZBWYWHA-LLVKDONJSA-N	314.407	2.155	70	20	DEID	
CN(C[C@H](O)C1CC1)[C@H](C(=O)N1CCCCC1)c1ccccc1	160786966	MLFZOAOVGUYVNS-ROUUACIJSA-N	316.445	2.443	70	20	DEID	
Cc1c(C(=O)N(C)C[C@H]2CCCCO2)cnn1C1CCOCC1	160949701	IHJPARNZIVFKJI-OAHLLOKOSA-N	321.421	2.184	70	20	DEID	
C[C@@H](O)C[C@H](CNC(=O)c1ccc2[nH]nnc2c1)c1ccccc1	159402576	HAOAPKDTDQJYIM-IUODEOHRSA-N	324.384	2.242	70	20	DEID	
O=C(CNC(=O)c1ccsc1)N[C@@H]1CCOC2(CCCC2)C1	159801650	KAMJNHHLAZTIIS-CYBMUJFWSA-N	322.430	2.086	70	20	DEID	
CC(C)CCN(CCC(C)C)S(=O)(=O)N1CCC[C@H]1CO	159856882	LFJKGYFNQPODHL-HNNXBMFYSA-N	320.499	2.082	70	20	DEID	
C/C=C(/C)C(=O)NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2	159489020	YJOHUMKOVMWZFX-PPFSTCQPSA-N	311.765	2.227	70	20	DEID	
CO[C@@H](CC(C)C)C(=O)Nc1cccc(S(=O)(=O)F)c1	460096760	XVBRMMGMELBWSC-LBPRGKRZSA-N	303.355	2.344	70	20	DEID	
C[C@H](NC(=O)c1ccc(S(=O)(=O)F)cc1)c1ccccn1	864240420	VIHWLCSEARHUBG-JTQLQIEISA-N	308.334	2.231	70	20	DEID	
CCN(CCNC(=O)Nc1cc(C(=O)OC)cs1)C1CC1	161068091	PFSQAJLLGNTHEY-UHFFFAOYSA-N	311.407	2.141	70	20	DEID	
CNC(=O)c1cccc(NC(=O)NCC(C)(C)[C@@H](O)C(C)C)c1	161307527	BDFAGMPBRMJAKL-AWEZNQCLSA-N	321.421	2.211	70	20	DEID	
CC(=O)c1ccc(N(Cc2nccs2)S(C)(=O)=O)cc1	161336259	LPRPZNDMLQJKNL-UHFFFAOYSA-N	310.400	2.312	70	20	DEID	
N[C@H]1CCC[C@H](NC(=O)CCCOCCc2ccccc2)C1	161505644	DBNYOEAIYQXAKB-IRXDYDNUSA-N	304.434	2.412	70	20	DEID	
O=S(=O)(Cc1ncc(-c2ccccc2)o1)C1CCOCC1	160063426	ZNWBWEJQTKOOID-UHFFFAOYSA-N	307.371	2.435	70	20	DEID	
CCc1cccc(S(=O)(=O)NC[C@H](O)c2cccc(F)c2)c1	160029809	VAGGTLWREFFNHU-INIZCTEOSA-N	323.389	2.400	70	20	DEID	
Cc1cccc([C@@H]2CCCN2CC(=O)NCc2cccnc2)n1	160058712	VDQCRHDRDCQEKE-KRWDZBQOSA-N	310.401	2.238	70	20	DEID	
CCN(CC)[C@@H](CNC(=O)CSCC(C)=O)c1ccco1	160157357	DMTBPXOHPCRENG-ZDUSSCGKSA-N	312.435	2.101	70	20	DEID	
Cc1cccc([C@H](C)NC(=O)NC[C@@H]2CCCS2(=O)=O)c1C	160194224	MZRGICMIQFIHOC-KBPBESRZSA-N	324.446	2.241	70	20	DEID	
CC(C)c1nn(C)c(Cl)c1C(=O)N(C)Cc1cnn(C)c1	160250024	NAXGGCKHHURFBR-UHFFFAOYSA-N	309.801	2.203	70	20	DEID	
CC(C)c1noc(-c2ccccc2C(=O)N2CC[C@@H](N)C2)n1	160254068	CWVJETIQQMSSJQ-LLVKDONJSA-N	300.362	2.033	70	20	DEID	
C[C@@H](C(=O)NCc1ccc(C(N)=O)cc1)c1c(F)cccc1F	160255955	XAEBCUXHEAJTRU-SNVBAGLBSA-N	318.323	2.484	70	20	DEID	
O=C(NCCn1cccc1)Nc1ccn(CC(F)(F)F)n1	160838808	GWNBGVRNWXZIHC-UHFFFAOYSA-N	301.272	2.069	70	20	DEID	
Cc1ccc(C(=O)N(C)Cc2cccn2C)cc1S(C)(=O)=O	160876342	JIUSCYKTLVMWHC-UHFFFAOYSA-N	320.414	2.009	70	20	DEID	
Cc1nc(CC(=O)N[C@@H](C)c2nnc3ccccn23)c(C)s1	159809673	RNQLOAOWXBHYQF-VIFPVBQESA-N	315.402	2.223	70	20	DEID	
COC1(C(=O)N[C@@H](C)c2ccc(F)cc2Cl)CCNCC1	159630168	PSXXVBGKPSNFIN-JTQLQIEISA-N	314.788	2.425	70	20	DEID	
CCOCCC1(CNC(=O)[C@H](C(C)C)N2CCCC2=O)CCC1	159640834	WSTHPKRBRYEOHI-INIZCTEOSA-N	324.465	2.347	70	20	DEID	
CCC(CC)(CNCC(=O)N[C@H]1CCCC[C@H]1C)C(=O)OC	159670235	OXRHEWQEQDJENG-KGLIPLIRSA-N	312.454	2.250	70	20	DEID	
CC(=O)N1CC[C@@H](NC(=O)C(C)(C)c2ccccc2Cl)C1	159735739	TXXBGFVIAJANLX-GFCCVEGCSA-N	308.809	2.355	70	20	DEID	
O=C(Nc1cc(F)ccc1OC[C@@H]1CCCO1)[C@H]1CCCNC1	159381327	FNKVBWCCVAMMLX-JSGCOSHPSA-N	322.380	2.322	70	20	DEID	
C#CC1CCN(C(=O)c2ccc(S(=O)(=O)F)cc2C)CC1	1121129056	WZXZDDKEGQBEBQ-UHFFFAOYSA-N	309.362	2.139	70	20	DEID	
CN(CCCF)c1ccc([N+](=O)[O-])cc1CS(=O)(=O)F	884858579	HFLYHRZEPFTCRH-UHFFFAOYSA-N	308.306	2.190	70	20	DEID	
CN(C[C@H]1CCC[C@@H]1O)C(=O)NC[C@@H]1CCOc2ccccc21	161016373	ZNEPAQHXXTWDMJ-LZWOXQAQSA-N	318.417	2.355	70	20	DEID	
CCN(Cc1ccccc1)C(=O)CNC(=O)C[C@H](C)SC	161062752	CRFAVTKHMSGDCB-ZDUSSCGKSA-N	308.447	2.293	70	20	DEID	
CCC[C@H](C)NC(=O)[C@@H](C)N1CCC([C@H](O)C(F)(F)F)CC1	161278688	QSRXBRWLCOWYTD-LOWVWBTDSA-N	324.387	2.315	70	20	DEID	
Cc1noc(C)c1N(C)C(=O)Nc1cnn(C[C@H]2CCCO2)c1	161313942	FCSHQIHBCHXDFT-CYBMUJFWSA-N	319.365	2.335	70	20	DEID	
Cc1nc(NC(=O)c2ccc3c(c2)nnn3C)cc(C2CC2)n1	160057147	VAHKFMMPCBURHD-UHFFFAOYSA-N	308.345	2.196	70	20	DEID	
CCCn1nc(C)c([C@H]2NC(N)=Nc3nc4ccccc4n32)c1C	160145238	PWBIYOKGANDONH-HNNXBMFYSA-N	323.404	2.356	70	20	DEID	
CCc1nc(CN[C@H](C)c2cc(OC)c(OC)c(OC)c2)n[nH]1	160313761	CYIMKERSJCELJO-SNVBAGLBSA-N	320.393	2.244	70	20	DEID	
C[C@@H](CNC(=O)N[C@H](C)CCC(C)(C)C)CN1CCOCC1	160414839	LHDQEWIHIQNBQW-LSDHHAIUSA-N	313.486	2.469	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)c1ccccc1OC(F)F	160462308	IHJZJSALJQKMMA-VIFPVBQESA-N	301.289	2.360	70	20	DEID	
CC1(C)CCC[C@H]1NC(=O)N1CCN(Cc2ccccn2)CC1	160609740	UXVKBWTZILNAHM-MRXNPFEDSA-N	316.449	2.488	70	20	DEID	
Cn1ccnc1CN(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1	160752813	KGIYMEPPTFDANI-UHFFFAOYSA-N	324.428	2.477	70	20	DEID	
CC(C)[C@H](CNC(=O)c1cccc(=O)n1C)Nc1ccccc1	159556284	SEPILZCACGTVID-HNNXBMFYSA-N	313.401	2.252	70	20	DEID	
CC(C)CN(CC(N)=O)C(=O)c1cc2c(s1)CC[C@H](C)C2	159772593	RLAMMUUSZUYUDN-NSHDSACASA-N	308.447	2.456	70	20	DEID	
C[C@H]1CC(=O)CC[C@H]1C(=O)Nc1ccc(S(=O)(=O)F)cc1	185107087	YHMVXWDVZBIOAF-TVQRCGJNSA-N	313.350	2.289	70	20	DEID	
O=C(OCC(F)(F)C(F)F)c1ccc(S(=O)(=O)F)cc1	838091795	BISZVNCHQWZKMP-UHFFFAOYSA-N	318.219	2.402	70	20	DEID	
Cc1cccc2c1CC[C@@H]2NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1121031725	CIBDBQPSJWTJFH-ZDUSSCGKSA-N	322.361	2.399	70	20	DEID	
O=C(Nc1ccc2nccn2c1)c1cccc(S(=O)(=O)F)c1	1349546876	OEIQLJMVIFWHQC-UHFFFAOYSA-N	319.317	2.245	70	20	DEID	
COCCC1(CNC(=O)N(CCN(C)C)C2CCCC2)CC1	161000582	WIEZACYPBQVSFL-UHFFFAOYSA-N	311.470	2.319	70	20	DEID	
Cc1noc(CCC(=O)N[C@H](C)CC(=O)c2ccc(F)cc2)n1	161237839	CKNKEEWDUOFOGI-SNVBAGLBSA-N	319.336	2.227	70	20	DEID	
C[C@H](c1ccccn1)N(C)C(=O)CNC(=O)CC1CCCC1	161468051	KGGNCSSUZRCDML-CYBMUJFWSA-N	303.406	2.298	70	20	DEID	
O=C(NCCN1CCCCCC1)c1cccc(-c2ncn[nH]2)c1	160003324	VKFSTIGEGNQCHX-UHFFFAOYSA-N	313.405	2.078	70	20	DEID	
COC(=O)c1cccc(S(=O)(=O)NCC2(C3CC3)CC2)c1C	160169928	ZFWXTRBNMIDFRT-UHFFFAOYSA-N	323.414	2.250	70	20	DEID	
C[C@@H](CO)N(C)C(=O)CCc1ccccc1OC(F)(F)F	160500151	HUJQHNYSOBQTHZ-JTQLQIEISA-N	305.296	2.357	70	20	DEID	
COCCN(CC(C)C)S(=O)(=O)Cc1c(F)cccc1F	160501572	JQKDFFUONSZVEI-UHFFFAOYSA-N	321.389	2.399	70	20	DEID	
CCc1nc(CN[C@@H](c2ccc3c(c2)OCCO3)C2CC2)n[nH]1	160544798	UTVZNZQLECTRJY-QGZVFWFLSA-N	314.389	2.379	70	20	DEID	
C[C@H](NCC(C)(C)O)c1ccc(OCc2nccn2C)cc1	160607269	SSMBFGIPBILXEG-ZDUSSCGKSA-N	303.406	2.421	70	20	DEID	
CC[C@@](C)(O)CNC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1	160666315	QSQIVKALNVUHKW-YQQAZPJKSA-N	306.406	2.367	70	20	DEID	
COCCCCCNC(=O)Nc1ccn(CC(F)(F)F)n1	160875380	JBKCNLBXDHQKAM-UHFFFAOYSA-N	308.304	2.384	70	20	DEID	
CCc1n[nH]c(-c2ccccc2NC(=O)CCc2cnn(C)c2)n1	160990361	VBQYWBQJIKYGIM-UHFFFAOYSA-N	324.388	2.339	70	20	DEID	
CC(=O)N1CC[C@H](NC(=O)c2ccc(N3CCCCC3)cc2)C1	159658493	QVGAINOSFCRQCA-INIZCTEOSA-N	315.417	2.028	70	20	DEID	
CCOC(=O)CN(C)[C@H](C)C(=O)Nc1cc(Cl)ccc1F	159485923	GXACTJVAKYAWDF-SECBINFHSA-N	316.760	2.301	70	20	DEID	
Cc1ccc(NC(=O)CC2CCOCC2)cc1S(=O)(=O)F	857675355	LAJUKGQXDDMJEG-UHFFFAOYSA-N	315.366	2.408	70	20	DEID	
COc1ccc(NC(=O)C2(NC(C)=O)CCCCC2)cc1N	161000487	ZIWLNNNQVFWIJN-UHFFFAOYSA-N	305.378	2.055	70	20	DEID	
CCN(CC)[C@H](CNC(=O)N1CCC[C@](C)(O)C1)c1ccco1	161212564	IDVCZXLZYALJEI-PBHICJAKSA-N	323.437	2.219	70	20	DEID	
CC(C)CO[C@@H]1CCN(C(=O)NCCCC(=O)OC(C)C)C1	160120154	GCEMKSXIAYJJJY-CQSZACIVSA-N	314.426	2.175	70	20	DEID	
C[C@@H](Sc1ccccn1)C(=O)Nc1ccc2c(c1)C(=O)NC2	160315298	YIBXIGHZJDHOQZ-SNVBAGLBSA-N	313.382	2.444	70	20	DEID	
CC(C)CSCCCNC(=O)[C@H](C)OC[C@H]1CCCO1	160717401	CWIPDVRVEFETRC-UONOGXRCSA-N	303.468	2.466	70	20	DEID	
CCNC(=O)N1CCc2ccc(NC(=O)[C@@H](N)[C@@H](C)CC)cc21	160774751	CAFVNHAVMCJFNQ-NHYWBVRUSA-N	318.421	2.091	70	20	DEID	
CC[C@@H](NC(=O)Nc1cnc2c(c1)c(C)nn2C)[C@@H]1CCCO1	160911084	WMUYZCSIEHNGSQ-KGLIPLIRSA-N	317.393	2.356	70	20	DEID	
CC(C)(C)c1noc(CSCCCCS(C)(=O)=O)n1	160928389	NTNQRNKPFCJPTQ-UHFFFAOYSA-N	306.453	2.425	70	20	DEID	
C[C@]1(NC(=O)Nc2ccc(OCC(F)(F)F)nc2)CCOC1	160980081	VZZMHQXFDPKRPA-LBPRGKRZSA-N	319.283	2.323	70	20	DEID	
C[C@@H]1CSc2ccccc2N(C(=O)c2ccc(=O)n(C)n2)C1	159641991	QEMSDJJCODHEDN-NSHDSACASA-N	315.398	2.169	70	20	DEID	
Cc1nc(N2CCOCC2)ccc1N[C@H](C)CCn1cccn1	159480949	OZEHPSZDPLQFFM-CQSZACIVSA-N	315.421	2.314	70	20	DEID	
CCN1CCCN(C(=O)NC[C@H](C)Oc2ccc(F)cc2)CC1	159921342	PEKJBHHMERQJQP-AWEZNQCLSA-N	323.412	2.330	70	20	DEID	
Cc1cc(NC(=O)C[C@H](C)NC(=O)C2CCCCC2)c[nH]c1=O	159552733	ARTBTAYMXGTNCG-LBPRGKRZSA-N	319.405	2.097	70	20	DEID	
CC(=O)N1CC[C@@H](NC(=O)c2csc(-c3ccc(C)o3)n2)C1	159798846	ZTKORCOUQADAMU-LLVKDONJSA-N	319.386	2.062	70	20	DEID	
COc1cc(C)cc(CNC(=O)NC[C@@H]2CCCN(C)C2)c1	159799785	CRRUVKWFIAGBBW-AWEZNQCLSA-N	305.422	2.145	70	20	DEID	
Cn1cc(CC(=O)N2CCc3ncncc3C2)c2ccccc21	218060639	YZMSJODGGRBXDK-UHFFFAOYSA-N	306.369	2.096	70	20	DEID	
C[C@@H](CNC[C@@H](O)COc1ccc(Cl)cc1)N(C)C1CC1	218561020	SUDFFJFQWKECND-SWLSCSKDSA-N	312.841	2.152	70	20	DEID	
CC[C@H]1C[C@@H](C(=O)Nc2cccc(S(=O)(=O)F)c2)CCO1	460087592	AXZSMCCFFFFVPG-JQWIXIFHSA-N	315.366	2.489	70	20	DEID	
Cc1nc(Cl)ccc1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1337489557	BVZPLIYDSPVNFL-UHFFFAOYSA-N	317.729	2.282	70	20	DEID	
C[C@@H](NC(=O)CCc1ccc(S(=O)(=O)F)cc1)c1ccc[nH]1	1338027404	GIVXSUADUZGUIU-LLVKDONJSA-N	324.377	2.483	70	20	DEID	
CSCC[C@@H](N)C(=O)NC[C@@H]1CCCO[C@@H]1C(C)(C)C	161178520	MLXVZQRAVRIYEW-XQQFMLRXSA-N	302.484	2.024	70	20	DEID	
CN(CCCCS(C)(=O)=O)Cc1cnn(-c2ccccc2)c1	161295057	WQJHOUYSMPWIIC-UHFFFAOYSA-N	321.446	2.129	70	20	DEID	
Cc1cc(C)c(NC(=O)CNC(=O)c2cc(C)ncn2)c(C)c1	161443542	JTCDAKGTCNRYTR-UHFFFAOYSA-N	312.373	2.079	70	20	DEID	
CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NCC1(C2CC2)CC1	160001411	GZNJNBXOXFSBRY-CQSZACIVSA-N	304.390	2.340	70	20	DEID	
O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)N1CCC[C@H](O)C1	160757510	AJJWFKYNDCNYHF-PMPSAXMXSA-N	304.390	2.073	70	20	DEID	
Cc1noc(C)c1CSCC(=O)NOCc1cccnc1	160777348	FQWDOHZWHSYRQC-UHFFFAOYSA-N	307.375	2.168	70	20	DEID	
CC(C)[C@H](N)C(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1	160969008	SIKNUJNDUWTSQV-NEPJUHHUSA-N	305.205	2.126	70	20	DEID	
Cc1noc(Cl)c1CC(=O)N(C)Cc1nccn1C(F)F	159602514	YNUMRYSYCVPANZ-UHFFFAOYSA-N	318.711	2.429	70	20	DEID	
CC(C)CS(=O)(=O)CC(=O)N[C@H]1CCCc2sccc21	159899399	OHFBXJZJCJOLJN-LBPRGKRZSA-N	315.460	2.313	70	20	DEID	
O=C(Nc1ccc(S(=O)(=O)F)c(F)c1)[C@H]1CCCS1	857673965	AAZKYHFJWQQMAZ-SECBINFHSA-N	307.343	2.318	70	20	DEID	
CCCNC(=O)Nc1ccc(CC(=O)N(C)CCCOC)cc1	161321196	CJPSMTUGRGAVCL-UHFFFAOYSA-N	321.421	2.256	70	20	DEID	
O=C(NCCOc1ccc(Cl)cc1)NO[C@@H]1CCCCO1	161365754	SCHHAOYRHWWBTG-CYBMUJFWSA-N	314.769	2.476	70	20	DEID	
CC[C@@H](C(=O)N1CCN(Cc2ccccc2Cl)CC1)N(C)C	161385155	BYCQJWFWXGQLIW-INIZCTEOSA-N	323.868	2.324	70	20	DEID	
C[C@H]1CCC[C@H](C(=O)N2CCN(C(=O)c3ccccn3)CC2)C1	160020665	IQFDMDGKNHWJCI-GJZGRUSLSA-N	315.417	2.192	70	20	DEID	
CCc1cc(O)nc(CN(C)Cc2ccc(OC)cc2OC)n1	160526314	MIPAXLOHZFRRSD-UHFFFAOYSA-N	317.389	2.394	70	20	DEID	
O=C(/C=C/c1ccc(Cl)cc1)NC[C@@H](O)CN1CCCCC1	160673109	XWQFBYYKUVUPSF-YXMGTMDOSA-N	322.836	2.316	70	20	DEID	
COc1cc(C(=O)NCc2ccc(F)cc2)cc(OC)c1O	160860273	MEEZMPQIBSMRNO-UHFFFAOYSA-N	305.305	2.479	70	20	DEID	
C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)CNC[C@H]1CCCO1	159444837	DHKKSRIWINIDAH-CZUORRHYSA-N	324.852	2.498	70	20	DEID	
CC(C)N1C[C@@H](C)[C@@H](NC(=O)Cc2ccc(O)cc2Cl)C1	159474365	QDRYTECVKVPXKX-ABAIWWIYSA-N	310.825	2.433	70	20	DEID	
CCCn1c(C)nnc1CN1CC[C@@H](CN2CCCCC2)C1	159681604	VQNFHHBEURCKGS-INIZCTEOSA-N	305.470	2.304	70	20	DEID	
C[C@H]1CC[C@@H](CC(=O)Nc2cccc(S(=O)(=O)F)c2)O1	460094512	PZQDWMQJEVOOGL-ONGXEEELSA-N	301.339	2.241	70	20	DEID	
CCOc1cccc(NC(=O)c2ccc(S(=O)(=O)F)cc2)n1	864243779	WLGPGXWQZVTBOA-UHFFFAOYSA-N	324.333	2.391	70	20	DEID	
CCOC(=O)[C@](C)(CCS(=O)(=O)F)C(=O)c1cccs1	883954564	RGSDROFTSZWKSS-GFCCVEGCSA-N	322.379	2.190	70	20	DEID	
CCS(=O)(=O)c1cccc(CC(=O)N2C[C@H]3CCC[C@@H]3C2)c1	161002849	AWAQIDVWKSBKER-HUUCEWRRSA-N	321.442	2.281	70	20	DEID	
COc1ccc(NC(=O)[C@H](C)OC[C@H]2CCCCO2)cc1N	161384731	XAQFWVFTYDSBJM-WCQYABFASA-N	308.378	2.190	70	20	DEID	
CCOCCCN1CCN(c2ccc(C(=O)OC)cc2)C[C@@H]1C	160037899	MVQXRKAVMLMDPB-HNNXBMFYSA-N	320.433	2.410	70	20	DEID	
COCCN(C)CCCNC(=O)[C@]1(C)CCCc2ccccc21	160149129	GUPJJQFZZFAYTA-LJQANCHMSA-N	318.461	2.365	70	20	DEID	
Cc1ccc(CC(=O)N2CCN(CCOCC3CC3)CC2)cc1	160184600	CNKVHUCSWICACD-UHFFFAOYSA-N	316.445	2.108	70	20	DEID	
FC(F)(F)CN1CCCN(Cc2cnc3ccccn23)CC1	160524680	UEUZGKKWACWLOV-UHFFFAOYSA-N	312.339	2.404	70	20	DEID	
C[C@@H](NC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1)c1nc[nH]n1	160925276	YQPZTTCRZQQDPX-XBFCOCLRSA-N	315.377	2.085	70	20	DEID	
CC(C)Sc1ccccc1NC(=O)[C@@H](C)NS(C)(=O)=O	160930995	PRRSZLNRRXXSMK-SNVBAGLBSA-N	316.448	2.063	70	20	DEID	
O=C(Cc1cc(Br)ccc1F)N[C@@H]1CCC[C@H]1O	159449825	SCGSSHSIDIZWOJ-VXGBXAGGSA-N	316.170	2.160	70	20	DEID	
CN(CCc1ccc(F)cc1)C(=O)c1cnc2c(c1)ncn2C	159729136	ZMAIZSJINWZRQG-UHFFFAOYSA-N	312.348	2.422	70	20	DEID	
CCCN(CCC)C(=O)CCC(=O)Nc1c[nH]c(=O)c(C)c1	159365849	HJRQJKCDEFPLEL-UHFFFAOYSA-N	307.394	2.051	70	20	DEID	
COCCC[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)F)c1	460087475	AQFKVQIORGKUDK-SNVBAGLBSA-N	303.355	2.346	70	20	DEID	
CO[C@H](C(=O)Nc1ccc(C)c(S(=O)(=O)F)c1)C1CC1	857673582	DEWKJNVKOJOZOI-LBPRGKRZSA-N	301.339	2.017	70	20	DEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N(C1CCC1)C1CCC1	1262787954	NZVYITGSIPSDSM-UHFFFAOYSA-N	300.355	2.220	70	20	DEID	
CCN(CC(=O)Nc1c(C)cccc1C)C(=O)CNCC1CC1	161060474	NAENUBKCKAHSHI-UHFFFAOYSA-N	317.433	2.090	70	20	DEID	
O=C(CNC[C@H]1CCCO1)N1CCSC2(CCCCC2)C1	161450390	AMNVTPCYHAMNHD-CQSZACIVSA-N	312.479	2.033	70	20	DEID	
Cc1ccc(-c2n[nH]c(NC(=O)c3cccc(=O)n3C)c2C)o1	161467773	VATGTGUNZVKOSF-UHFFFAOYSA-N	312.329	2.238	70	20	DEID	
CCc1ccc(S(=O)(=O)NC[C@H](O)c2cccc(F)c2)cc1	160046616	JCXDXRZSWBMSJP-INIZCTEOSA-N	323.389	2.400	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)Cc1ccc(OC(F)F)cc1	160064067	ZGLDSGOZBZKUBT-JTQLQIEISA-N	315.316	2.288	70	20	DEID	
O=C(NC[C@@H](O)CN1CCCCC1)c1ccc2c(c1)CCCC2	160479086	YVTVMZDGMPHQOP-GOSISDBHSA-N	316.445	2.142	70	20	DEID	
CN(C)CCC1CCN(C(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)CC1	160543757	HRIXHTISQOQIPZ-IAGOWNOFSA-N	323.481	2.317	70	20	DEID	
N[C@H]1CCC[C@H](NC(=O)c2cccnc2OCC(F)(F)F)C1	160779615	LCDUWPRXACQLCB-UWVGGRQHSA-N	317.311	2.022	70	20	DEID	
Cn1ccnc1CN1CCN(C(=O)CCC2CCCCC2)CC1	160823582	HETBWCQTPJJUNV-UHFFFAOYSA-N	318.465	2.425	70	20	DEID	
Cc1nnnn1-c1cccc(NC(=O)NCC2(C3CC3)CC2)c1	159470525	SMSAUIXWZMMDSU-UHFFFAOYSA-N	312.377	2.282	70	20	DEID	
CCCCCCNC(=O)Cc1cccc(OCC(=O)NC)c1	159384377	JYYLKRIOWSQBOI-UHFFFAOYSA-N	306.406	2.050	70	20	DEID	
Cc1cccc(-n2cc(C(=O)N(C)Cc3cc(C)on3)nn2)c1	159976924	DGJPVLZDPKEAGJ-UHFFFAOYSA-N	311.345	2.144	70	20	DEID	
CCC[C@@H](O)CNC(=O)c1cc(OC)c(OC)cc1Cl	159394172	GQIMXBHVWOUHEQ-SECBINFHSA-N	301.770	2.248	70	20	DEID	
Cc1ccc(NC(=O)C[C@H]2CCCO2)cc1S(=O)(=O)F	857673665	IEWZUTZZOFTGBO-LLVKDONJSA-N	301.339	2.161	70	20	DEID	
CCC1(NC(=O)c2ccc(S(=O)(=O)F)cc2)CCOCC1	864241533	WIRBBBOLAMWTGB-UHFFFAOYSA-N	315.366	2.034	70	20	DEID	
CCCC1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1123636019	VUVXJTPYEHCREQ-UHFFFAOYSA-N	302.371	2.325	70	20	DEID	
CC[C@@H](CNC(=O)c1cc(S(=O)(=O)F)ccc1Cl)OC	1337584744	ROIXMUYUFHVXHN-QMMMGPOBSA-N	323.773	2.153	70	20	DEID	
O=C(N[C@@H]1CC12CCCCC2)c1cc(S(=O)(=O)F)c[nH]1	1262732750	SYCAKHGEOFKNHB-LLVKDONJSA-N	300.355	2.126	70	20	DEID	
Cc1cc(Cl)ccc1NCC(=O)NCC(=O)NC(C)(C)C	161108238	LLDCPUCHEFGNMU-UHFFFAOYSA-N	311.813	2.091	70	20	DEID	
C[C@H](N[C@H]1CCC[C@H](N(C)C)C1)c1ccc(-n2cnnn2)cc1	161119654	LQCMRRUTVZJWTA-QRTARXTBSA-N	314.437	2.186	70	20	DEID	
CCN(Cc1cnn(C)c1)Cc1nc(Cc2ccccc2)no1	161123928	DMVCXVVHINCBCG-UHFFFAOYSA-N	311.389	2.416	70	20	DEID	
C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2	161428605	JOQMMPLKVBXALO-DGAVXFQQSA-N	324.421	2.022	70	20	DEID	
CCCn1c(C)nnc1Cn1cnc2sc(C)cc2c1=O	161440313	SQAGSGSBKQGZGQ-UHFFFAOYSA-N	303.391	2.125	70	20	DEID	
Cc1ccc(S(=O)(=O)N2CCC[C@@H]2[C@H](O)C(F)(F)F)cc1	161480178	RGHUBPASMPJFKV-NEPJUHHUSA-N	323.336	2.071	70	20	DEID	
CN(C)c1ncc(NC(=O)c2csc([C@@H]3CCCO3)n2)cn1	161496403	JYEQNRZJRPOKBF-NSHDSACASA-N	319.390	2.103	70	20	DEID	
CC(C)c1ccc(NC(=O)C(=O)Nc2ccc(=O)n(C)c2)cc1	160026758	DBSGOSHXJWCSBP-UHFFFAOYSA-N	313.357	2.086	70	20	DEID	
NC(=O)N1CCC[C@H](C(=O)N[C@H]2CCCc3sccc32)C1	160105487	AQVSYTWALMAOTD-JQWIXIFHSA-N	307.419	2.032	70	20	DEID	
CN(Cc1ccccc1N1CCOCC1)C(=O)[C@H]1CCCCO1	160267614	KCXJNQWKJLYIHB-QGZVFWFLSA-N	318.417	2.051	70	20	DEID	
C[C@H]1CN(C(=O)c2cnc(C(F)(F)F)nc2)CC(C)(C)O1	160307740	YPCDOUAGLMAZRY-QMMMGPOBSA-N	303.284	2.135	70	20	DEID	
COCC[C@@H](C)NC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1	160396161	JNQNASNDYHZKSX-IUODEOHRSA-N	308.378	2.401	70	20	DEID	
Cc1cc(C(=O)N(C)[C@@H](C)CO)c(C)n1Cc1ccccn1	160545747	OWNLMKKJTLWQGN-ZDUSSCGKSA-N	301.390	2.001	70	20	DEID	
COC(CN1CCO[C@H](c2ccc(F)c(Cl)c2)C1)OC	160859127	UEPHQXWXIQYELF-ZDUSSCGKSA-N	303.761	2.471	70	20	DEID	
Cc1cc(C(=O)NCC(F)F)nn1-c1ccc(F)cc1F	159422711	LURFCCPMOAVXJR-UHFFFAOYSA-N	301.243	2.454	70	20	DEID	
Cc1n[nH]c(SCC(=O)NCCc2cc3ccccc3[nH]2)n1	159624319	AUMCGCBYXHGSDD-UHFFFAOYSA-N	315.402	2.045	70	20	DEID	
CN(CCC1CCOCC1)C(=O)c1ncn(-c2ccccc2)n1	159848672	OTTSPOQCZGBWEB-UHFFFAOYSA-N	314.389	2.156	70	20	DEID	
COC[C@H](NC(=O)c1cccc2[nH]c(=O)oc12)c1ccc(C)o1	159894630	DOKAJMUGYAGVMQ-LBPRGKRZSA-N	316.313	2.140	70	20	DEID	
CC(C)CN(CC(N)=O)C(=O)c1cc2cc(Cl)ccc2[nH]1	159735993	ADRXLAGZIIHEMM-UHFFFAOYSA-N	307.781	2.405	70	20	DEID	
CS[C@@H]1CCCC[C@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1121224068	BLFXVCMZHNIBBF-MWLCHTKSSA-N	320.411	2.077	70	20	DEID	
C[C@@H]1SCCN(C(=O)c2cccc(S(=O)(=O)F)c2)[C@@H]1C	1338260135	KVINGCPZDMMBDI-ZJUUUORDSA-N	317.407	2.311	70	20	DEID	
CCC1(CNC(=O)N[C@H](C)[C@H](C)N2CCOCC2)CCCC1	161112125	JKKRSKWBGHVHRU-CABCVRRESA-N	311.470	2.365	70	20	DEID	
CCCN(CCC)CCCNC(=O)[C@H]1CCn2ccnc2C1	161343374	LZXVEWPTSGZSDY-HNNXBMFYSA-N	306.454	2.074	70	20	DEID	
Cc1ccc(-n2cnnn2)cc1NC(=O)C[C@H](C)c1ccncc1	160057896	DNHNEKVWGHMGRN-ZDUSSCGKSA-N	322.372	2.498	70	20	DEID	
CCc1ccc([C@@H](C)NC2CCN(CC(=O)N(C)C)CC2)o1	160455896	LZVBNTSOKZJRCF-CYBMUJFWSA-N	307.438	2.045	70	20	DEID	
CCCNC(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O	160660474	ZBAKXHOJWJKWHA-LBPRGKRZSA-N	313.760	2.294	70	20	DEID	
Cc1cc(C)c(C(=O)N[C@H](C)CC(=O)c2cccs2)c(=O)[nH]1	160693189	CSUAZLCNUWOEQQ-LLVKDONJSA-N	318.398	2.445	70	20	DEID	
Cc1ccc(F)cc1NC(=O)NCC1CCS(=O)(=O)CC1	159404763	GFRAJHBUGQAIKM-UHFFFAOYSA-N	314.382	2.080	70	20	DEID	
O=C(NC[C@@]1(O)CCc2ccccc21)c1cccc2[nH]cnc12	159441993	MXXGTDOYHLEUGR-SFHVURJKSA-N	307.353	2.127	70	20	DEID	
Cc1cc(N[C@H](C)C(=O)NCCc2ccc(F)cc2)nn1C	159668152	YQMRBBYHOMIPSR-GFCCVEGCSA-N	304.369	2.027	70	20	DEID	
CCCCn1ncc(NC(=O)N2CCC(C(=O)OC)CC2)c1C	159871607	XFMYPOMTYSFEBA-UHFFFAOYSA-N	322.409	2.409	70	20	DEID	
CCOCCN1CCN(C(=O)[C@@H](C)Cc2ccccc2F)CC1	159727719	PZPBDSDLJDXLHU-HNNXBMFYSA-N	322.424	2.185	70	20	DEID	
O=C(NCCCc1ccc(Cl)cc1)C(=O)Nc1cccnc1	159365921	FWTNPGFRJZMVAJ-UHFFFAOYSA-N	317.776	2.423	70	20	DEID	
CCc1nnsc1C(=O)Nc1cccc(S(=O)(=O)F)c1	460092848	MQYQAKVEPOTENT-UHFFFAOYSA-N	315.351	2.011	70	20	DEID	
Cc1ccc(NC(=O)[C@H]2CCO[C@@H](C)C2)cc1S(=O)(=O)F	857675205	GDWMZGNLRWHATF-QWRGUYRKSA-N	315.366	2.407	70	20	DEID	
CCn1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)F)cc2)c1	864240949	FQXFBHQLEHVARH-UHFFFAOYSA-N	324.377	2.438	70	20	DEID	
C[C@@H]1CCSCCN1C(=O)c1cccc(S(=O)(=O)F)c1	1337493036	ZRCJNWGFXNZJHX-SNVBAGLBSA-N	317.407	2.312	70	20	DEID	
O=C(NS(=O)(=O)Cl)Oc1ccc(Br)cc1	100634761	IBZFMHDEXILWRT-UHFFFAOYSA-N	314.544	2.021	70	20	DEID	
CCOc1c(Cl)cc(C(=O)NC[C@H](C)CCO)cc1OC	161042814	PBQYCKKEZPGIGY-SNVBAGLBSA-N	315.797	2.496	70	20	DEID	
Cc1nc(C)c([C@@H](C)N(C)C(=O)C(=O)Nc2nocc2C)s1	161107326	XPZNOIVNOYAGLE-SECBINFHSA-N	322.390	2.214	70	20	DEID	
Cc1cc(C(=O)Nc2cc(C(N)=O)ccc2CN(C)C)oc1C	161426743	WVZBULUAXOTLKY-UHFFFAOYSA-N	315.373	2.309	70	20	DEID	
CC(C)(C)[C@@H](CCO)NC(=O)NCCc1ccc2c(c1)OCO2	161441233	MQPFWLVGQWVUNG-OAHLLOKOSA-N	322.405	2.054	70	20	DEID	
O=C1CCCC[C@@H]1[C@H]1COCCN1C(=O)c1cccc(Cl)n1	160482465	NILLJFCQKNQJST-DGCLKSJQSA-N	322.792	2.335	70	20	DEID	
CCc1ccc([C@H](CNC(=O)NCC[C@@H](O)CC)N(C)C)cc1	160745321	ZXWJBPSPPOWXJJ-IRXDYDNUSA-N	321.465	2.312	70	20	DEID	
CN(CCCCNC(=O)N1CCC[C@](C)(O)C1)c1ccccc1	160837190	ARNQEWURHPEVDP-SFHVURJKSA-N	319.449	2.459	70	20	DEID	
CCCCN(C)CCNC(=O)N[C@@H](C)Cc1c(C)noc1C	159811573	GDMARFMKIKQASY-LBPRGKRZSA-N	310.442	2.254	70	20	DEID	
Cc1cnc([C@@H](C)CNC(=O)NOCc2cccnc2)s1	159630331	ZSPNUMLPUWYRFT-JTQLQIEISA-N	306.391	2.381	70	20	DEID	
CNC(=O)[C@@H](C)CN(C)C(=O)c1cccc(OC(F)(F)F)c1	159470658	QDKVQBSTOLPEPV-VIFPVBQESA-N	318.295	2.039	70	20	DEID	
O=C(NC[C@H]1CCCSC1)c1ccc(S(=O)(=O)F)cc1	865210814	PSYSFXJVCRNBEK-SNVBAGLBSA-N	317.407	2.218	70	20	DEID	
CC(=O)CCCCOC(=O)c1cccc(S(=O)(=O)F)c1	1332350413	FDKDBPBILDTBTH-UHFFFAOYSA-N	302.323	2.261	70	20	DEID	
C[C@H](CCc1ccco1)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1336923013	YHMRRJVGJWSIRY-SECBINFHSA-N	314.338	2.017	70	20	DEID	
Cc1c([C@@H](C)NCC(=O)NC(C)C)cnn1-c1ccc(F)cc1	161000767	PCQVCZOIABAPDW-GFCCVEGCSA-N	318.396	2.495	70	20	DEID	
CC[C@H](C(=O)N[C@H]1CCOC2(CCCCC2)C1)N1CCCC1=O	161052431	GYBMHGRRTVAWKJ-LSDHHAIUSA-N	322.449	2.386	70	20	DEID	
COc1ccc([C@]2(C)NC(=O)N(Cc3nccs3)C2=O)cc1	161127667	WFHOYNFTGBVPOB-HNNXBMFYSA-N	317.370	2.119	70	20	DEID	
CC(C)(O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)c(F)c1F	161143100	HQCZPUINIVYZSQ-JTQLQIEISA-N	323.336	2.028	70	20	DEID	
CCCN(CCO)Cc1ccc(OCCN2CCCC2)cc1	161235511	LODPOCNCEDZFGF-UHFFFAOYSA-N	306.450	2.366	70	20	DEID	
CCC[C@@H](C(=O)NC[C@@H](c1ccccc1OC)N(C)C)N(C)C	161243792	NIBCFJASEVKGEU-HOTGVXAUSA-N	321.465	2.144	70	20	DEID	
CC(C)S(=O)(=O)CC(=O)N[C@@H]1CCCc2sccc21	160081994	IEWHEFUCYTUJAT-LLVKDONJSA-N	301.433	2.065	70	20	DEID	
O=C(N[C@H]1CCO[C@H](C2CC2)C1)N1CC[C@@H](CN2CCCC2)C1	160250164	SYPAVROXHCKDTI-XIRDDKMYSA-N	321.465	2.071	70	20	DEID	
Cn1ccc(NC(=O)C(=O)NCC(C)(C)C2CCCCC2)n1	160276503	MDEYATPGIMYRMJ-UHFFFAOYSA-N	306.410	2.081	70	20	DEID	
COc1ccc(C(=O)N[C@H]2CCOC3(CCCCC3)C2)nn1	160537756	KBBVLCMRQQKMNF-LBPRGKRZSA-N	305.378	2.097	70	20	DEID	
CO[C@@H]1CCC[C@H]1NC(=O)NCc1cccc(CN(C)C)c1	160641329	LZKKBYIMCMQTHL-HZPDHXFCSA-N	305.422	2.115	70	20	DEID	
O=C(NCCc1nccs1)Nc1ccn(CC(F)(F)F)n1	160793564	HLZJRWHHCOVWIF-UHFFFAOYSA-N	319.312	2.266	70	20	DEID	
Cc1ccc([C@H](O)CNS(=O)(=O)c2cc(C)ccc2F)cc1	159437826	BLVGEVAMLHTZME-OAHLLOKOSA-N	323.389	2.454	70	20	DEID	
COc1cccc([C@@H](C)N[C@@H](C)C(=O)NCC(F)(F)F)c1	159838149	UKRWFHDKJBAFPM-ZJUUUORDSA-N	304.312	2.413	70	20	DEID	
Cc1ccc(S(=O)(=O)NC[C@@H](O)C2CCCCC2)cc1F	159528401	ROGPQRGZOPAIIA-OAHLLOKOSA-N	315.410	2.354	70	20	DEID	
Cc1csc(CNC(=O)CCc2nc(-c3ccoc3)no2)n1	159380062	OKZVJTVUZOSAJK-UHFFFAOYSA-N	318.358	2.344	70	20	DEID	
CC[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1121032842	ZSDZBFNUPKTWIB-JTQLQIEISA-N	302.371	2.325	70	20	DEID	
Cc1cnccc1CCNC(=O)c1cccc(S(=O)(=O)F)c1	1121032179	MDWKBFFKMWYUBY-UHFFFAOYSA-N	322.361	2.021	70	20	DEID	
Cn1cnc2cc(C(=O)N3CCc4c(F)cccc4C3)cnc21	161000654	PRTDAFSWZGFZDR-UHFFFAOYSA-N	310.332	2.306	70	20	DEID	
CC[C@H](C)OCC(=O)N[C@H](CN1CCCC1=O)c1ccccc1	161009785	NXMQGFLUFRMNEN-GOEBONIOSA-N	318.417	2.281	70	20	DEID	
CCNc1nc(C(=O)N[C@H](C)c2nnc3ccccn23)cs1	161031062	XPXSQYDACFCNGD-SECBINFHSA-N	316.390	2.109	70	20	DEID	
C[C@@H](CCO)CNC(=O)CCCOc1ccc(F)cc1F	161065220	XMRYEQNRJAQJTG-NSHDSACASA-N	301.333	2.259	70	20	DEID	
C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)COC[C@H]1CCCO1	161219772	JPMQWLYVNXLASL-IUODEOHRSA-N	323.364	2.099	70	20	DEID	
Cc1c(Cl)cc(S(=O)(=O)N(C)[C@H](C)CO)cc1Cl	161288376	RZNWEZPFCJSEEH-SSDOTTSWSA-N	312.218	2.303	70	20	DEID	
CCCn1c(C)nnc1Cn1nc(-c2ccccc2)ccc1=O	161290292	ZULMPIIOUPMRLI-UHFFFAOYSA-N	309.373	2.269	70	20	DEID	
CCCCNc1ccccc1C(=O)NCCCN1CCOCC1	161366337	XROAGPYNNLDADK-UHFFFAOYSA-N	319.449	2.351	70	20	DEID	
COC1(C(=O)N2CC[C@@H](c3ccccc3)[C@H]2C)CCNCC1	161423215	IYFJPGNIZVEHQS-GDBMZVCRSA-N	302.418	2.160	70	20	DEID	
CC(C)(C)n1cc(NC(=O)CNC(=O)CC2CCCC2)cn1	161483414	OYAYLRLGMUNHEL-UHFFFAOYSA-N	306.410	2.273	70	20	DEID	
COCc1ccc([C@H]2CCCN2C(=O)CN2CCCCC2=O)o1	161489558	SFMAYOLLXPTCEX-CQSZACIVSA-N	320.389	2.102	70	20	DEID	
CC(C)[C@@H](CNC(=O)[C@H](C)c1ccsc1)N1CCN(C)CC1	160056151	PZQZATFZBUQPHW-GDBMZVCRSA-N	323.506	2.240	70	20	DEID	
Cc1cc2cc(NC(=O)C(=O)NCCn3cccc3)ccc2[nH]1	160108343	CJNSBUUUFWWNAH-UHFFFAOYSA-N	310.357	2.033	70	20	DEID	
C[C@H](NS(=O)(=O)c1c[nH]c2ncccc12)c1cccc(O)c1	160198255	RSJNVLNEIWMIGD-JTQLQIEISA-N	317.370	2.308	70	20	DEID	
CC[C@@H](C)OCC(=O)NCc1cccc(Cn2cccn2)c1	160205367	XYMORRGWJBEMAS-CQSZACIVSA-N	301.390	2.363	70	20	DEID	
CCN1CCCN(C(=O)NCCCc2cccc(OC)c2)CC1	159806944	IDMNNLDUNNXHPU-UHFFFAOYSA-N	319.449	2.365	70	20	DEID	
CC[C@@H](C)c1cc(C(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)on1	159426694	UEDRGUWVYSVBPO-MGPQQGTHSA-N	323.437	2.417	70	20	DEID	
CCO[C@H](CCNC(=O)c1cccc2[nH]c(=O)oc12)C(C)C	159651909	KGIFVXZFCXDZAV-CYBMUJFWSA-N	306.362	2.302	70	20	DEID	
O=C(CCc1nnc(C2CCCC2)o1)Nc1ncccc1O	159722203	CDJWRAITMSEYBR-UHFFFAOYSA-N	302.334	2.399	70	20	DEID	
c1cn(CCN2CCC[C@@H](c3nnc4n3CCCCC4)C2)cn1	159740862	XEYMFVFLTCEIED-OAHLLOKOSA-N	314.437	2.081	70	20	DEID	
COc1cc(C)c(S(=O)(=O)N(C)[C@H]2CCSC2)cc1C	159370353	BUYBDHKLBPKSMC-LBPRGKRZSA-N	315.460	2.438	70	20	DEID	
CN(C)CC(C)(C)CNC(=O)CCc1nnc(C2CCCC2)o1	159579145	STCZAPWLWFDVOK-UHFFFAOYSA-N	322.453	2.364	70	20	DEID	
Cc1ccc(Cl)cc1S(=O)(=O)NCC1(CO)CCCC1	160340801	PEEDCLBXMBAPPP-UHFFFAOYSA-N	317.838	2.479	70	20	DEID	
CSCC[C@H](C)NC(=O)Cc1ccc(S(=O)(=O)F)cc1	1121030955	CZLNCFIBUCRMNL-JTQLQIEISA-N	319.423	2.145	70	20	DEID	
C[C@@H]1[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCC[C@H]1C	1120866660	VPTPEUREKPMTEI-YWVKMMECSA-N	302.371	2.227	70	20	DEID	
CN(Cc1cccc(F)c1)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1515237225	HQLDFUBCJWLRER-UHFFFAOYSA-N	314.313	2.084	70	20	DEID	
CC(C)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(F)nc2)CC1	160072832	LTNJMZHQYVOZHW-LBPRGKRZSA-N	307.369	2.444	70	20	DEID	
COc1cccc2c1CC[C@H]2NC(=O)CCOC[C@@H]1CCCO1	160098436	SUMOIIFXRVVBPG-XJKSGUPXSA-N	319.401	2.384	70	20	DEID	
C[C@@H](Cc1ccc(O)cc1)NC(=O)CCC(=O)NC1CCCC1	160255036	WSGPNUKSZCQXEK-ZDUSSCGKSA-N	318.417	2.278	70	20	DEID	
Clc1cc(N2CCN(C3CCOCC3)CC2)nc(C2CC2)n1	160307285	YJCDKUXKDYPZFK-UHFFFAOYSA-N	322.840	2.308	70	20	DEID	
CCc1ccc(CC(=O)N2CCC[C@@H](c3nncn3C)C2)cc1	160328490	UQKQJIYSJYFWLR-MRXNPFEDSA-N	312.417	2.326	70	20	DEID	
O=C(Nc1cccc(F)n1)C1CCN(C(=O)N2CCCC2)CC1	160581736	ZQCTZVMTVMYOLL-UHFFFAOYSA-N	320.368	2.087	70	20	DEID	
CSc1ccc(C)c(C(=O)NC[C@@H](O)CN2CCCCC2)c1	160665793	COCSOXQWNKXUGP-CQSZACIVSA-N	322.474	2.294	70	20	DEID	
CCNC(=O)N1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1	160840733	PAYMPIOESNEJKH-ARFHVFGLSA-N	321.465	2.467	70	20	DEID	
CN(C)Cc1ccc(C(=O)Nc2nnc(-c3ccccn3)[nH]2)cc1	160899265	ASMRPJLJXJFPPU-UHFFFAOYSA-N	322.372	2.181	70	20	DEID	
C[C@H](CC(=O)c1cccs1)NC(=O)CNC(=O)CC(C)(C)C	160982933	VWSRUUJXSAOYMB-LLVKDONJSA-N	324.446	2.378	70	20	DEID	
CC[C@H](O)CCNC(=O)Cc1cccc(OCC(F)(F)F)c1	159437040	RYWQOFZNCZCKBY-LBPRGKRZSA-N	319.323	2.447	70	20	DEID	
CC1CCN(c2cccc(NC(=O)NCCOCCO)c2)CC1	159707095	PZFRXURYOYVAAD-UHFFFAOYSA-N	321.421	2.053	70	20	DEID	
COC(=O)[C@H](NC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F)C(C)C	159756321	XDKVLMJTIILRHF-SCDSUCTJSA-N	311.328	2.382	70	20	DEID	
CCOC(=O)CCc1ccc(NC(=O)N2CCOC[C@@H]2C)cc1	159565168	PVZAXQZUXQFWMA-ZDUSSCGKSA-N	320.389	2.435	70	20	DEID	
CC[C@H]1CC[C@@H](C(=O)Nc2cccc(S(=O)(=O)F)c2)O1	460093458	NYJISGSAZKEYLK-JQWIXIFHSA-N	301.339	2.241	70	20	DEID	
CCSCC[C@H](C)N(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1121031799	FEQVJZMRAKXCDI-VIFPVBQESA-N	322.427	2.277	70	20	DEID	
CCN(CC(F)F)C(=O)Cc1ccc(S(=O)(=O)F)cc1	1262786823	ZORJBTBITRZSOS-UHFFFAOYSA-N	309.309	2.001	70	20	DEID	
Cc1cc(C(=O)N2CCN(C(=O)[C@@H]3CC3(C)C)CC2)c(C)o1	161078839	ZSKUCNVSWQCROO-AWEZNQCLSA-N	304.390	2.227	70	20	DEID	
Cc1cnn(-c2ccc(NC(=O)[C@@H]3CCCNC3)cc2F)c1	161233182	SJADMNYSJPDYAA-GFCCVEGCSA-N	302.353	2.258	70	20	DEID	
CCNC(=O)C(C)(C)CNc1ncnc2cc(F)c(F)cc12	161346854	IUWSAZZDQQEALJ-UHFFFAOYSA-N	308.332	2.482	70	20	DEID	
Cc1noc(C)c1C[C@H](C)NC(=O)N(C)C[C@H]1CCC[C@@H]1O	161427341	OOJAZRQGQAWZTJ-ZBINZKHDSA-N	309.410	2.025	70	20	DEID	
CC[C@@H]1CN(C(=O)Nc2ccc(O[C@H]3CCOC3)cc2)CCO1	160200253	RNFCNWWZAHMWDC-ZBFHGGJFSA-N	320.389	2.497	70	20	DEID	
CN(C)c1ccc(C(=O)NCC(=O)OC2CCCCC2)c(F)c1	160408870	VNSWIIJDPSDLKF-UHFFFAOYSA-N	322.380	2.497	70	20	DEID	
C[C@@H]1CC(NC(=O)Nc2ccc(C(N)=O)c(F)c2)C[C@@H](C)O1	160514820	CFJUNLBSRUBCGQ-RKDXNWHRSA-N	309.341	2.002	70	20	DEID	
C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)NCC(C)(C)O	160583626	WDHQFLIGDVKGKA-LBPRGKRZSA-N	312.841	2.438	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)c1cc(-c2ccccc2)on1	160593797	ZCJVLVKQAQBSCB-NSHDSACASA-N	302.330	2.413	70	20	DEID	
C[C@@H](NCc1ccc(CN2CCOCC2)cc1)C1CCOCC1	160636606	VLTDMHWZOMBGIT-MRXNPFEDSA-N	318.461	2.424	70	20	DEID	
CN(CCc1cccs1)C(=O)c1cnc2c(c1)ncn2C	160648304	XOYIYAMZOHWHOF-UHFFFAOYSA-N	300.387	2.345	70	20	DEID	
C[C@]1(O)CCCN(C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)C1	160827391	RXTPZAMVHGSLLR-RYRKJORJSA-N	318.417	2.463	70	20	DEID	
CCO[C@H](C)c1noc(CSCCCCS(C)(=O)=O)n1	160955061	AHUOTGCCJIIVHI-SNVBAGLBSA-N	322.452	2.225	70	20	DEID	
CCCN(C)c1ccc(C(=O)N(CC(N)=O)CC(C)C)cc1	159671920	ULABAHUJLFYIDH-UHFFFAOYSA-N	305.422	2.116	70	20	DEID	
COCCOc1cccc(CC(=O)Nc2ccc(OC)nc2)c1	159551908	XHYHJRIYGAILMD-UHFFFAOYSA-N	316.357	2.297	70	20	DEID	
CC(C)C[C@H](CCO)CNC(=O)NCC(C)(C)[C@H](O)C(C)C	159377247	ZFWSHEAACSJFCJ-LSDHHAIUSA-N	316.486	2.373	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)c1c(-c2ccccn2)noc1C	159562672	HPDKJNHCYWIJBR-SNVBAGLBSA-N	317.345	2.117	70	20	DEID	
COC/C(C)=C/C(=O)Nc1ccc(C)c(S(=O)(=O)F)c1	857674114	QSLWPYKXUDFEJE-RMKNXTFCSA-N	301.339	2.184	70	20	DEID	
CC1(C)CCCN(C(=O)c2ccc(S(=O)(=O)F)cc2)[C@H]1C#N	864240592	AARMVAMEYBMNIL-ZDUSSCGKSA-N	324.377	2.499	70	20	DEID	
O=C(N[C@@H]1C[C@H]1C1CCCCC1)c1cc(S(=O)(=O)F)c[nH]1	1121094634	ILGKTWJAKCBMJQ-NWDGAFQWSA-N	314.382	2.372	70	20	DEID	
O=C(Cc1ccc(S(=O)(=O)F)cc1)N1[C@H]2C=CC[C@H]1CC2	1121120246	IZMLQNBRESMBGZ-STQMWFEESA-N	309.362	2.207	70	20	DEID	
CC[C@@H](C#N)N(C)C(=O)CCc1ccc(S(=O)(=O)F)cc1	1262801800	GEABJOXHSGPCDS-LBPRGKRZSA-N	312.366	2.038	70	20	DEID	
CC[C@H](CO)NC(=O)C(=O)Nc1ccccc1SC(C)C	161027668	QDDDYYOUZPKBSR-LLVKDONJSA-N	310.419	2.013	70	20	DEID	
CCCC(=O)N1CCCC[C@H]1C(=O)N(C)Cc1cccn1C	160384293	HKVFXMDOZIDWFW-HNNXBMFYSA-N	305.422	2.165	70	20	DEID	
CN([C@H]1CCSC1)S(=O)(=O)c1c(F)cc(F)cc1F	159419940	GZJIPSBCROSOFB-QMMMGPOBSA-N	311.350	2.230	70	20	DEID	
CC[C@H](C)[C@H](C)NC(=O)N1CCN(Cc2ccccn2)CC1	159619452	KXGPDXBPLFGDIY-GJZGRUSLSA-N	304.438	2.343	70	20	DEID	
CO[C@](C)(C(=O)NC[C@H](O)c1ccsc1)c1ccccc1	159555574	HQPXQRHNUSLNQN-HOCLYGCPSA-N	305.399	2.460	70	20	DEID	
CC[C@H]1CCCCCN1C(=O)c1nnn(C2CCNCC2)c1C	159371217	KCZQJVXCNZRZHN-AWEZNQCLSA-N	319.453	2.306	70	20	DEID	
CC(C)C[C@H](CCO)CNC(=O)N[C@@H]1CCOC(C)(C)C1	159376406	WZIGVGMWIFRFLR-UONOGXRCSA-N	300.443	2.288	70	20	DEID	
CC(C)CONC(=O)Nc1ccc(N2CCOCC2)c(F)c1	159967048	WUTKVRVZURDNLX-UHFFFAOYSA-N	311.357	2.371	70	20	DEID	
O=C([C@H]1C[C@@H]1c1ccccc1OC(F)F)N1CCC(O)CC1	159595245	GINAPUIOJKEQQO-OLZOCXBDSA-N	311.328	2.375	70	20	DEID	
CC(C)(C)CN(CCS(=O)(=O)F)C[C@@](C)(O)c1ccco1	1887497493	JZHGZULFPWTGTK-CQSZACIVSA-N	321.414	2.135	70	20	DEID	
CO[C@@H]1CCC[C@@H](C(=O)Nc2ccc(S(=O)(=O)F)cc2)C1	460087553	AUNUXVBMTXSENV-ZYHUDNBSSA-N	315.366	2.489	70	20	DEID	
COc1cc(C)cnc1C(=O)Nc1ccc(S(=O)(=O)F)cc1	460091766	KPBLAYNJZTVFNG-UHFFFAOYSA-N	324.333	2.309	70	20	DEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCCCCCCC1	1338192907	CGEQSAWXTLOGMS-UHFFFAOYSA-N	302.371	2.469	70	20	DEID	
C[C@H]1SCCN(C(=O)c2cccc(S(=O)(=O)F)c2)[C@@H]1C	1338260132	KVINGCPZDMMBDI-NXEZZACHSA-N	317.407	2.311	70	20	DEID	
Cc1ccc2cc(C(=O)N3CCCC[C@H]3CC(N)=O)ccc2n1	161123853	JTUMDMLBIKVSPH-HNNXBMFYSA-N	311.385	2.413	70	20	DEID	
COc1ccc(CCNC(=O)N[C@@H](CCO)C(C)(C)C)cc1	161135655	IREOZMPCIORERV-HNNXBMFYSA-N	308.422	2.334	70	20	DEID	
Cc1nc(Cl)ccc1C(=O)N[C@@H]1CCN(c2ccccn2)C1	161394961	KZESYZMUUOJCRC-GFCCVEGCSA-N	316.792	2.447	70	20	DEID	
CCN(CCC(=O)OC)C(=O)c1cc(F)cc2cccnc12	161486923	XXDVCKDSRBPJDE-UHFFFAOYSA-N	304.321	2.399	70	20	DEID	
CCN1CCC[C@@H]1CNC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2	161499820	IDRVTQITOYONKT-QXSJWSMHSA-N	321.465	2.118	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)c1cnn(CC(C)C)c1C1CC1	160110868	FRIFTTXHWKZFQA-LBPRGKRZSA-N	321.421	2.488	70	20	DEID	
CC(C)NC(=O)CCCC(=O)N(C)c1ccc2c(c1)OCO2	160259531	IOVJZVONVNGFOS-UHFFFAOYSA-N	306.362	2.073	70	20	DEID	
CCOC(=O)CCc1ccc(NC(=O)[C@H]2CC[C@H](N)C2)cc1	160490870	YVSGHUUSEOPSHQ-KBPBESRZSA-N	304.390	2.248	70	20	DEID	
C[C@@H](NCC(=O)NCC(F)(F)F)c1cc(F)c(F)c(F)c1	160563799	BPHJUZFVLNYGBV-ZCFIWIBFSA-N	314.229	2.433	70	20	DEID	
CCc1nn(C)c(Cl)c1C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2	160610969	ZALHTQNXIGJWFU-WQAKAFBOSA-N	323.824	2.323	70	20	DEID	
C[C@@H]1Cc2ccc(F)cc2[C@@H]1NCC(=O)NCC(F)(F)F	160630552	ALMFOIGCZGNWKX-AMIZOPFISA-N	304.287	2.327	70	20	DEID	
N[C@@H]1CCC[C@@H](NC(=O)c2ccc(N3CCCCCC3)nc2)C1	160767297	CJRJNCZFQNDPHJ-HZPDHXFCSA-N	316.449	2.462	70	20	DEID	
C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cn1)C1CCOCC1	160793946	IHJRIDHKXPUETE-GFCCVEGCSA-N	317.389	2.210	70	20	DEID	
CCCCOCCNC(=O)c1cnn(C2CCOCC2)c1C	159636983	DSHADUZXCJWMLR-UHFFFAOYSA-N	309.410	2.090	70	20	DEID	
Cc1ccc(C(=O)CCN2CCC[C@@H]2CN2CCOCC2)cc1	159832978	KVTJNGBKVGGOOV-GOSISDBHSA-N	316.445	2.364	70	20	DEID	
COc1cccnc1N(C)S(=O)(=O)c1cc(F)ccc1C	159549211	UOTPRFFJVUDABO-UHFFFAOYSA-N	310.350	2.363	70	20	DEID	
Cc1c(I)cccc1C(=O)N1CCC1	159565642	VHSGCPDZGKMWHU-UHFFFAOYSA-N	301.127	2.446	70	20	DEID	
CC[C@H](C)OCC(=O)N[C@@H](CN1CCCC1=O)c1ccccc1	161009607	NXMQGFLUFRMNEN-HOCLYGCPSA-N	318.417	2.281	70	20	DEID	
CCNCC1CCN(C(=O)Cc2ccc(C)c(OC)c2)CC1	161039364	VCUIVGCNGMHVMW-UHFFFAOYSA-N	304.434	2.394	70	20	DEID	
CS[C@H](C)CC(=O)N1CCC[C@H]1CN1C[C@H](C)O[C@H](C)C1	161117741	NWFURXULPVMKDL-BARDWOONSA-N	314.495	2.228	70	20	DEID	
COC[C@@H](O)CCNC(=O)[C@H](OC(C)(C)C)c1ccccc1	161257031	FHNOSHSNHLONDE-LSDHHAIUSA-N	309.406	2.056	70	20	DEID	
Cc1ccc(F)c(OCC(=O)N2CC[C@@H](N3CCCC3)C2)c1	161341845	XDJQIDVMJWQKCC-CQSZACIVSA-N	306.381	2.210	70	20	DEID	
CC(C)(C)S(=O)(=O)CC(=O)N[C@@H]1CCCc2sccc21	160161903	JHBKUXXBMJVEPP-LLVKDONJSA-N	315.460	2.455	70	20	DEID	
COc1ccccc1NCC(=O)N(C)c1ccc2c(c1)OCO2	160238984	PRLHYTJEDRTBKW-UHFFFAOYSA-N	314.341	2.499	70	20	DEID	
CC[C@@H](COC)NCc1ccccc1CN1CCN(CC)CC1	160362121	ISIGEUCFPUKIKO-IBGZPJMESA-N	319.493	2.339	70	20	DEID	
CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCO[C@H](C2CC2)C1	160380291	MVYRNLPWGMERBT-NCOADZHNSA-N	321.465	2.212	70	20	DEID	
CCOC(=O)C1(C(=O)NC[C@]2(N(C)C)CCC[C@H](C)C2)CCC1	160416722	FIMOXUORSPEBPB-YOEHRIQHSA-N	324.465	2.347	70	20	DEID	
Cc1ccc(-c2cncc(C(=O)NCC(=O)N3CCCC3)c2)cc1	160565260	RVDUGRLDKMQGCZ-UHFFFAOYSA-N	323.396	2.409	70	20	DEID	
CCCCCN(CCO)C(=O)N[C@H]1CCN(C2CCCC2)C1	160794671	GMVOWLDRKSITRP-HNNXBMFYSA-N	311.470	2.197	70	20	DEID	
Cc1conc1NC(=O)C(=O)N1CCC2(CCCCC2)CC1	160966896	RZKYPLDIHCPMSI-UHFFFAOYSA-N	305.378	2.494	70	20	DEID	
Cc1ccccc1C1(CNC(=O)C(=O)Nc2nocc2C)CC1	160969645	VNVXNUGCAAUTLC-UHFFFAOYSA-N	313.357	2.078	70	20	DEID	
CSc1ccc(NC(=O)NCC2(CO)COC2)cc1Cl	159683988	CJNMKWADSNPNEL-UHFFFAOYSA-N	316.810	2.192	70	20	DEID	
CC[C@H]1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)F)cc2)CCO1	123006424	CWKUYYRANRLZRI-JQWIXIFHSA-N	315.366	2.489	70	20	DEID	
CO[C@H](CNC(=O)c1ccc(S(=O)(=O)F)cc1)C(C)(C)C	865208865	ZNYTXNBXQNHLKW-GFCCVEGCSA-N	317.382	2.136	70	20	DEID	
CC[C@@H](C)[C@@H](CNC(=O)c1cccc(S(=O)(=O)F)c1)OC	1338817496	OZYXJBGCUSAYCQ-ZWNOBZJWSA-N	317.382	2.136	70	20	DEID	
CCC(=O)N1CC[C@H](C(=O)Nc2ccc(-c3ncc[nH]3)cc2)C1	161169592	IKRVGWJHHZJPSF-ZDUSSCGKSA-N	312.373	2.274	70	20	DEID	
COCC(C)(C)C(=O)NCCc1cnn(-c2ccccc2)c1	161350308	CFECQWZFVOEYJE-UHFFFAOYSA-N	301.390	2.204	70	20	DEID	
C[C@H](C(=O)N[C@H]1CCN(c2ccccn2)C1)N1CCCCCC1	161358323	HLLNKROKOCFZDD-CVEARBPZSA-N	316.449	2.041	70	20	DEID	
C/C=C(\C=C\C(=O)Nc1cc(S(N)(=O)=O)ccc1OC)CC	160281489	OPFJIIWVPXRKFC-RAERUFQZSA-N	324.402	2.194	70	20	DEID	
COC(=O)c1csc(NC(=O)N2CCC[C@H]([C@H](C)O)C2)c1	160321254	MXMYXUKDHXXQCN-UWVGGRQHSA-N	312.391	2.159	70	20	DEID	
C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)C1CCC(C)(C)CC1	160375235	BCGUPBPDVVEZFH-NWDGAFQWSA-N	303.468	2.483	70	20	DEID	
CCOc1cccc([C@@H](C)NCC(=O)NCC(F)(F)F)c1	160566341	NIEKLQMIDUWENM-SNVBAGLBSA-N	304.312	2.414	70	20	DEID	
O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)N1CCC[C@H](O)C1	160757775	AJJWFKYNDCNYHF-JYJNAYRXSA-N	304.390	2.073	70	20	DEID	
CCOc1cccc(CNC(=O)N[C@@H]2CCc3[nH]ncc3C2)c1	160837133	AMGZBDWRSAQQEQ-CQSZACIVSA-N	314.389	2.165	70	20	DEID	
CC(C)NC1CCN(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC1	160959620	QXQPZHXGSHGWGI-OAGGEKHMSA-N	321.465	2.116	70	20	DEID	
CC[C@H]1CN(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)C[C@@H](C)O1	159802631	MJKOSTKAOFEABM-SKDRFNHKSA-N	308.378	2.058	70	20	DEID	
C[C@H](O)C[C@H](CNC(=O)CC1CCOCC1)c1ccccc1	159431626	KHNQBKMDZNHIMT-WMLDXEAASA-N	305.418	2.474	70	20	DEID	
CCN(CCC(=O)OC)Cc1nnc(-c2ccccc2OC)o1	159853094	JRWKGYJWFPBPAE-UHFFFAOYSA-N	319.361	2.130	70	20	DEID	
CN(CCOCc1ccccc1)C(=O)CCCn1ccnc1	159508791	FPULCPDFSWBNFZ-UHFFFAOYSA-N	301.390	2.339	70	20	DEID	
CN1CCC[C@@H](CNC(=O)Cc2csc(-c3ccoc3)n2)C1	159512040	XNCDWKMNLDYUSH-LBPRGKRZSA-N	319.430	2.404	70	20	DEID	
NC(=O)C[C@@H]1CCCN(C(=O)Nc2cc(F)c(F)cc2F)C1	159735426	VZGHDYDNEMVDRS-QMMMGPOBSA-N	315.295	2.223	70	20	DEID	
C[C@@H]1CC(=O)CC[C@@H]1C(=O)NCc1ccnc(N2CCCC2)c1	159553208	VWYLEAGTJJYBFF-CJNGLKHVSA-N	315.417	2.303	70	20	DEID	
CC(C)COc1ccc([C@H](C)NC(=O)CC(=O)N(C)C)cc1	159557344	GQMVDKIMAPSSQM-ZDUSSCGKSA-N	306.406	2.377	70	20	DEID	
CSCCCNC(=O)Nc1ccc(C(C)(C)C(N)=O)cc1	159979042	AMBGMHKYFRHGAD-UHFFFAOYSA-N	309.435	2.324	70	20	DEID	
COc1ccc2cc(NC(=O)N3CCO[C@H](C)C3)ccc2n1	216715433	VPFNWDFVIYGRBA-LLVKDONJSA-N	301.346	2.496	70	20	DEID	
O=C(Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1)[C@@H]1CCCN1	161038575	KULVMFHWICRISP-HRCADAONSA-N	304.390	2.059	70	20	DEID	
Cc1noc(CCC(=O)N[C@@H](C)CC(=O)c2ccc(F)cc2)n1	161237737	CKNKEEWDUOFOGI-JTQLQIEISA-N	319.336	2.227	70	20	DEID	
CCc1nn(C)c(Cl)c1C(=O)NCCN1CCCCCC1	160002182	NLNLCJJEUNMKMV-UHFFFAOYSA-N	312.845	2.242	70	20	DEID	
C[C@H](CC(=O)NCc1nncn1-c1ccccc1)c1ccncc1	160053432	SVKLTIYNFZNDQU-CQSZACIVSA-N	321.384	2.472	70	20	DEID	
COCCc1noc(CN(C)CCC(=O)c2ccc(C)cc2)n1	160161641	POKCENGLPGGXFM-UHFFFAOYSA-N	317.389	2.272	70	20	DEID	
CN(Cc1cnn(C)c1)C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F	160249083	KIXDKOUOFMFSHS-CHWSQXEVSA-N	305.328	2.460	70	20	DEID	
COc1cccc2c1CC[C@@H]2NC(=O)NCCN1CCCCC1	160277664	KZWDHBSNQLHHLP-INIZCTEOSA-N	317.433	2.468	70	20	DEID	
O=C1CCCC[C@H]1[C@@H]1COCCN1C(=O)/C=C/c1ccco1	160642455	BHPZBFFMVHOHRR-JSMHICHCSA-N	303.358	2.280	70	20	DEID	
C[C@H](CC(=O)NCC1CCN(CCO)CC1)c1ccc(F)cc1	160724964	DPLBCNUBVRQOSH-CQSZACIVSA-N	322.424	2.140	70	20	DEID	
CC(C)n1nccc1C(=O)NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1	160968410	BIZPQWIFBYBDCU-ZIAGYGMSSA-N	322.453	2.082	70	20	DEID	
CN(C)C(=O)CNC(=O)c1cncc(-c2ccc(Cl)cc2)c1	159907510	VCVIOLZILXIZRV-UHFFFAOYSA-N	317.776	2.220	70	20	DEID	
C[C@H]1CCN(C(=O)Nc2ccc(OCC(N)=O)cc2)C[C@H](C)C1	159726435	JITDENOFLNMUQY-QWHCGFSZSA-N	319.405	2.451	70	20	DEID	
C[C@H](NC(=O)NC[C@@](C)(O)c1ccc(F)cc1)c1ccccn1	159361244	GJGOOVDWJPOYPN-YVEFUNNKSA-N	317.364	2.489	70	20	DEID	
COc1ccc(CN(C)S(=O)(=O)CCC(C)C)cc1O	159789615	RKOAALTYJPBAAO-UHFFFAOYSA-N	301.408	2.209	70	20	DEID	
O=C([C@@H]1C[C@@H]1c1ccccc1OC(F)F)N1CCC(O)CC1	159595565	GINAPUIOJKEQQO-CHWSQXEVSA-N	311.328	2.375	70	20	DEID	
O=C(C1CCNCC1)N1CCc2ccc(Br)cc21	159992256	GHEIBBCIGJVZAX-UHFFFAOYSA-N	309.207	2.338	70	20	DEID	
CCCCO[C@H](C)C(=O)Nc1ccc(S(=O)(=O)F)cc1	123097017	MKVIGVSGXOQSKE-SNVBAGLBSA-N	303.355	2.489	70	20	DEID	
O=C(c1cccs1)N1CCC(CNC(=O)C(F)(F)F)CC1	216734678	XTIUGHQEAOSRTG-UHFFFAOYSA-N	320.336	2.279	70	20	DEID	
C[C@@H](Cc1ccncc1)NC(=O)c1ccc(S(=O)(=O)F)cc1	864242525	ISJXMIYCAUXXFW-NSHDSACASA-N	322.361	2.101	70	20	DEID	
C[C@@H]1SCCN(C(=O)c2ccc(S(=O)(=O)F)cc2)[C@H]1C	865208012	SPSHTQZLGCPPFM-UWVGGRQHSA-N	317.407	2.311	70	20	DEID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N1CC[C@H](CF)C1	1337633012	PJVAZAQAGNZXKP-SNVBAGLBSA-N	303.330	2.085	70	20	DEID	
CC[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@@H]1CC1(C)C	1338818143	RXKLFGUONHQEPD-UWVGGRQHSA-N	302.371	2.227	70	20	DEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC2(CCC2)[C@H]1C1CC1	1348406618	UQYRZFVGSCLBCV-GFCCVEGCSA-N	312.366	2.078	70	20	DEID	
Cn1c(CNCCNC(=O)OC(C)(C)C)nc2ccccc21	218321538	LUMBKYKKQJNALO-UHFFFAOYSA-N	304.394	2.188	70	20	DEID	
O=S(=O)(F)c1ccc(N[C@@H](C2CCC2)[C@@H]2CCOC2)nc1	1550638701	FOSPASWPOPLUJB-RISCZKNCSA-N	314.382	2.357	70	20	DEID	
C[C@H](CC(=O)NCCn1c(=O)[nH]c2ccccc21)c1ccncc1	161027066	NBAFHTJSPCZMNV-CYBMUJFWSA-N	324.384	2.035	70	20	DEID	
Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)[C@@H]2CSCN2)cc1	161098933	RKWPCVMKYQXHMS-OWCLPIDISA-N	320.458	2.241	70	20	DEID	
CCN(Cc1cnn(C)c1)[C@H](C)C(=O)Nc1cccc(F)c1	161102974	QADYUGFUWBPIFC-GFCCVEGCSA-N	304.369	2.408	70	20	DEID	
CCN(Cc1cnn(C)c1)[C@@H](C)C(=O)NCc1ccccc1C	161115177	XQVOYLOOVOEJHN-HNNXBMFYSA-N	314.433	2.255	70	20	DEID	
CCCNC(=O)CCNC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F	161370351	LNMFOGRAIBJBDO-VXGBXAGGSA-N	310.344	2.101	70	20	DEID	
CC(C)(C)NC(=O)CNC(=O)c1cncc(-c2ccccc2)c1	160157771	ZEGKCWFZSBHFTC-UHFFFAOYSA-N	311.385	2.393	70	20	DEID	
COCCN(Cc1ccco1)C(=O)N[C@H]1CCO[C@H](C2CC2)C1	160428501	QNYUSGGALQCXCY-HOCLYGCPSA-N	322.405	2.395	70	20	DEID	
CCN1CCCC[C@@H]1CNC(=O)NCc1ccc(O)c(F)c1	159624490	OBUNSZPJRURRMP-CYBMUJFWSA-N	309.385	2.205	70	20	DEID	
CCC(CC)(CNCC(=O)N1CCc2ccccc21)C(=O)OC	159661079	AHIKUMFHJYSIRK-UHFFFAOYSA-N	318.417	2.145	70	20	DEID	
Cc1cccc(NC(=O)C(=O)NC[C@H]2CSCCS2)c1C	159685917	YAADEHBLTKUPHA-LBPRGKRZSA-N	324.471	2.207	70	20	DEID	
COCc1ccccc1C(=O)NC[C@]1(O)CCc2ccccc21	159380277	KEALVMKVVKZOGI-LJQANCHMSA-N	311.381	2.397	70	20	DEID	
COc1cc(NS(=O)(=O)c2ncn(C)c2Cl)ccc1F	160240604	LAZQNZXGYNXWPT-UHFFFAOYSA-N	319.745	2.022	70	20	DEID	
C/C(=C/C(=O)Nc1ccc(S(=O)(=O)F)cc1)c1cnccn1	865205313	WQHOXMYHOIAAMJ-NTMALXAHSA-N	321.333	2.177	70	20	DEID	
Cc1ccncc1N(C)C(=O)c1ccc(S(=O)(=O)F)cc1	864240690	CMIWEWGSVURMQX-UHFFFAOYSA-N	308.334	2.325	70	20	DEID	
COc1cccc(NC(=O)c2cccc(S(=O)(=O)F)c2)n1	1340631028	VYKXOJQGQVLMTD-UHFFFAOYSA-N	310.306	2.001	70	20	DEID	
Cc1nc(Cl)cc(N[C@H]2CCCN(CC(F)(F)F)C2=O)n1	161497074	HRERALYSABVXHF-QMMMGPOBSA-N	322.718	2.404	70	20	DEID	
CCCCn1ncc(NC(=O)NCc2nncn2C2CC2)c1C	160015241	OXJJYEVJWHDFPX-UHFFFAOYSA-N	317.397	2.240	70	20	DEID	
C[C@@](O)(CNc1ccncc1C(N)=O)c1ccccc1Cl	160157769	KKCFBEXPPGYWKJ-OAHLLOKOSA-N	305.765	2.154	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)Cc1c(F)cccc1Cl	160329135	DFLNCXMKZYQCQT-VIFPVBQESA-N	301.745	2.480	70	20	DEID	
C[C@@H](NC(=O)Nc1ccn(CC(F)(F)F)n1)[C@H]1CCCO1	160390853	MDNIIWXGTCFYQJ-RKDXNWHRSA-N	306.288	2.134	70	20	DEID	
CCC(CC)CNC(=O)N1CCN(Cc2ccncc2)CC1	160603215	IHTQJMNJOPVLFX-UHFFFAOYSA-N	304.438	2.345	70	20	DEID	
COc1ccc(NS(=O)(=O)c2ccc(C(C)=O)cc2)c(C)n1	160683243	XRTMBEMPCOTFJD-UHFFFAOYSA-N	320.370	2.402	70	20	DEID	
COc1cccc(CCCN2CCC(N3CCNC3=O)CC2)c1	159415977	SMDNVKYIFFSMDV-UHFFFAOYSA-N	317.433	2.117	70	20	DEID	
C[C@H](CC(=O)Nc1cnn(CC(F)(F)F)c1)[C@@H]1CCCNC1	159697648	DFRJFTKQMFHPHK-GHMZBOCLSA-N	318.343	2.410	70	20	DEID	
COC(=O)CCCS(=O)(=O)NC1CC(C)(C)CC(C)(C)C1	159721561	HPHYLKWYJJLNBO-UHFFFAOYSA-N	319.467	2.464	70	20	DEID	
O=C(c1ccnc(-n2cccn2)c1)N(Cc1cccnc1)C1CC1	159378229	NOMCMYYSYJATRO-UHFFFAOYSA-N	319.368	2.467	70	20	DEID	
CN(CCN(C)C(=O)OC(C)(C)C)Cn1cc(Cl)cn1	160528862	SLTLRJIUWFKRPT-UHFFFAOYSA-N	302.806	2.293	70	20	DEID	
CCO[C@H](C(=O)Nc1ccc(S(=O)(=O)F)c(F)c1)C1CC1	875830974	BOVCGRDBOOAOAT-LBPRGKRZSA-N	319.329	2.238	70	20	DEID	
Cc1cc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)nn1C(C)C	1338942615	DRECFMRPZOYTCX-UHFFFAOYSA-N	314.342	2.011	70	20	DEID	
COc1ccsc1S(=O)(=O)Nc1nnc(C2CC2)s1	159790119	LENWVFPSAMJANV-UHFFFAOYSA-N	317.417	2.286	70	20	DEID	
CCC1CCN(C(=O)C(=O)Nc2cc(C(=O)OC)cs2)CC1	161106527	SJVPCIVZIUQWBB-UHFFFAOYSA-N	324.402	2.122	70	20	DEID	
COC[C@H](O)CCNC(=O)[C@H](OC(C)(C)C)c1ccccc1	161257296	FHNOSHSNHLONDE-HUUCEWRRSA-N	309.406	2.056	70	20	DEID	
C[C@@H](C(=O)N1CCOC[C@H]1C1CC1)N1CCc2ccccc2C1	161348628	WEQITICULFDZIA-KSSFIOAISA-N	314.429	2.071	70	20	DEID	
C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cc1cccnc1	161454399	RRDRQWJVPAAQSD-CYBMUJFWSA-N	319.405	2.092	70	20	DEID	
CC(C)n1cnnc1SCC(=O)NCCc1cccc(O)c1	160132741	ZGFDHDQPBYBGNU-UHFFFAOYSA-N	320.418	2.016	70	20	DEID	
Cc1ccc2oc(C(=O)NC[C@@H](O)CN3CCCCC3)cc2c1	160162744	YVEQBDFYIBRZOH-OAHLLOKOSA-N	316.401	2.318	70	20	DEID	
O=C(NCC[C@H]1CCCCO1)c1cnc(C(F)(F)F)nc1	160188229	ILCPMFVKDWFBNP-SNVBAGLBSA-N	303.284	2.184	70	20	DEID	
O=C(N[C@H]1CCO[C@H](C2CC2)C1)N(CCO)Cc1ccccc1	160264149	LMEBWKVTUPDWHW-IRXDYDNUSA-N	318.417	2.148	70	20	DEID	
CCO[C@@H]1C[C@H](NC(=O)C[C@H]2COC(=O)C2)C12CCCCC2	160280977	PVMQMDBQYFYYLI-HZSPNIEDSA-N	309.406	2.184	70	20	DEID	
CC1(C)CCC(CNC(=O)NCC(=O)NCC(F)(F)F)CC1	160453160	GLKGFTPCVAQADX-UHFFFAOYSA-N	323.359	2.181	70	20	DEID	
CC(=O)Nc1ccc(O)c(C(=O)N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c1	160618454	QBACLAPWCRXYRL-BPQIPLTHSA-N	322.364	2.419	70	20	DEID	
Cc1noc(C)c1[C@H](C)CNC(=O)NC[C@H]1CCN(C2CC2)C1	159629370	ZZESLCMUDXQZMJ-BXUZGUMPSA-N	320.437	2.178	70	20	DEID	
CC(C)N(CCS(C)(=O)=O)C(=O)Nc1c(F)cccc1F	159910036	KVKVYXKRYCEMSZ-UHFFFAOYSA-N	320.361	2.252	70	20	DEID	
COC[C@@H](O)CNC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl	159533497	ROSBNEDLMDTSQT-JMJZKYOTSA-N	318.200	2.220	70	20	DEID	
COCCCN(C)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1	159985732	UIWUWCBNOKXPCP-NVXWUHKLSA-N	319.449	2.327	70	20	DEID	
C[C@H](CNC(=O)NOCc1cccnc1)N(C)c1ccccc1	161074187	SYWAFUMGTJSHBM-CQSZACIVSA-N	314.389	2.337	70	20	DEID	
Cc1noc(Cl)c1CC(=O)NC[C@H](C)N1CCC(C)CC1	161405642	QDOAYZUZCLZBDN-NSHDSACASA-N	313.829	2.416	70	20	DEID	
COc1c(C(=O)NC[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)c(C)nn1C	161472849	ZPJRLCPODYRNSJ-FMKPAKJESA-N	311.385	2.053	70	20	DEID	
CN(C)c1ccc(C(=O)NC[C@H]2CCN(C3CC3)C2)c(F)c1	160141210	MKIJHRILDMEDSP-GFCCVEGCSA-N	305.397	2.106	70	20	DEID	
Cc1c(Cl)cccc1NC(=O)C(=O)NCCn1cccc1	160150952	IPEANHRGFFAQMD-UHFFFAOYSA-N	305.765	2.205	70	20	DEID	
COCCN(CC(F)F)C(=O)c1cncc(OC(C)C)c1	160375613	BIRDDFRMANGAJE-UHFFFAOYSA-N	302.321	2.223	70	20	DEID	
Cc1nc2ccccn2c1CN(C1CC1)[C@H](C)CS(C)(=O)=O	160403307	TZPBJKMKSFPWTQ-GFCCVEGCSA-N	321.446	2.040	70	20	DEID	
Cc1cc(NC(=O)c2cc(CS(C)(=O)=O)c(C)s2)no1	159601703	AYYFAGGRDWCPHJ-UHFFFAOYSA-N	314.388	2.150	70	20	DEID	
C[C@@H](c1ccncc1)N(C)C(=O)c1csc(S(C)(=O)=O)c1	159808115	OWXMMVQZMYRECS-JTQLQIEISA-N	324.427	2.380	70	20	DEID	
CC[C@H](C)NC(=O)C(=O)Nc1cnn(-c2ccccc2)c1C	159906554	QCHMFKGPYUOQPK-NSHDSACASA-N	300.362	2.034	70	20	DEID	
Cc1ccc(F)c(OCC(=O)N(C)CC(=O)OC(C)(C)C)c1	159525064	DFGPRVZRBBNACQ-UHFFFAOYSA-N	311.353	2.313	70	20	DEID	
Cc1cc(NC(=O)c2cccnc2N2CCCCC2)c[nH]c1=O	159533916	KUCFFQVVRANUQV-UHFFFAOYSA-N	312.373	2.321	70	20	DEID	
Cc1csc(=O)n1CCC(=O)N[C@@H]1CCOC2(CCCC2)C1	159939791	HAGYXKNJKUMOHY-CYBMUJFWSA-N	324.446	2.216	70	20	DEID	
CCC[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CCC1	1123830033	QWKPTAJAZNMIPP-LLVKDONJSA-N	302.371	2.372	70	20	DEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@@H]2CCCC[C@@H]21	1130153011	SWSHQLOHKTWSBN-CABZTGNLSA-N	300.355	2.078	70	20	DEID	
COC[C@@H](NC(=O)Nc1ccc(Br)nc1)C1CC1	161122676	KVZPMNWULVYENP-SNVBAGLBSA-N	314.183	2.391	70	20	DEID	
CN(CC(=O)Nc1cccc(Cl)c1)C(=O)[C@]1(C)CCCNC1	161440346	XTIZHPITFMEPFL-MRXNPFEDSA-N	323.824	2.127	70	20	DEID	
CCN1CCCN(C(=O)N[C@H]2COc3ccc(C)cc32)CC1	160000070	MTFVUTLIRCBSFN-HNNXBMFYSA-N	303.406	2.166	70	20	DEID	
CN(CCN1CCCC1=O)C(=O)Nc1cccc2[nH]ccc12	160214626	XREHVYVHQPFUOJ-UHFFFAOYSA-N	300.362	2.254	70	20	DEID	
CCN1CCN(Cc2ccc(CN[C@@H](C)CCOC)cc2)CC1	160328920	GOUBUDGUNMIEFN-KRWDZBQOSA-N	319.493	2.339	70	20	DEID	
CCc1oc(C(=O)OC)cc1Cn1cnc(C(C)C)cc1=O	160659752	KMDPRHDIILYAQD-UHFFFAOYSA-N	304.346	2.357	70	20	DEID	
C[C@H](OC[C@@H]1CCCO1)C(=O)N[C@@H]1CCOC2(CCCC2)C1	159608317	LMWRAVVYMMADPO-ZNMIVQPWSA-N	311.422	2.179	70	20	DEID	
C[C@H](N[C@H](C)c1cccc(F)c1F)C(=O)Nc1ncccn1	159511316	RBZXNYMQMRBXJQ-ZJUUUORDSA-N	306.316	2.433	70	20	DEID	
C[C@@H]1OCCN(C(=O)NCc2ccc(N3CCCC3)nc2)[C@H]1C	159541667	HDFMGZVIEJTTNK-KBPBESRZSA-N	318.421	2.001	70	20	DEID	
COC(=O)[C@@H]1CCCN(C(=O)N[C@H](C)c2cccc(O)c2)C1	159770343	XKWWAIDMSUARHK-DGCLKSJQSA-N	306.362	2.048	70	20	DEID	
O=C(Nc1cccc(S(=O)(=O)F)c1)C1SCCS1	460089038	DXSHGCNLJPZFEN-UHFFFAOYSA-N	307.393	2.089	70	20	DEID	
O=C(Nc1ccc2c(c1)CCCO2)c1cc(S(=O)(=O)F)c[nH]1	1338390353	QJRHNKCVBSKVKV-UHFFFAOYSA-N	324.333	2.250	70	20	DEID	
CCn1ccnc1CN[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	217807469	HXFGJZRIZGQNQK-CYBMUJFWSA-N	308.426	2.392	70	20	DEID	
Cc1nn(C)c(C)c1CC(=O)N1CCc2c(F)cccc2C1	161066598	FVRMAGAEKYBXPV-UHFFFAOYSA-N	301.365	2.303	70	20	DEID	
O=C([C@H]1CCCCO1)N1CCCN(Cc2ccccc2)CC1	161401250	DVSXKXPUGWMKBY-QGZVFWFLSA-N	302.418	2.290	70	20	DEID	
Cc1ccc(S(N)(=O)=O)c(C(=O)N2CC[C@@H](C)C[C@H](C)C2)c1	160048324	PYNGBUROBXBNEA-OLZOCXBDSA-N	324.446	2.151	70	20	DEID	
Cc1cccc([C@H](C)NC(=O)NC[C@H]2CCCS2(=O)=O)c1C	160194451	MZRGICMIQFIHOC-UONOGXRCSA-N	324.446	2.241	70	20	DEID	
CC[C@H](C)OCC(=O)N1CCC[C@@H](NC(=O)OC(C)(C)C)C1	160309779	WBGRBJDVSSSRFT-QWHCGFSZSA-N	314.426	2.317	70	20	DEID	
COC[C@@H](NC(=O)Nc1ccc2c(c1)NC(=O)CC2)C1CC1	160536249	BFXFDWSSBZXVSN-CQSZACIVSA-N	303.362	2.118	70	20	DEID	
C[C@@H](CNC(=O)c1ccc(CN(C)C)cc1)CN1CCCC1	160607298	MPTCKSOMUIFTGR-HNNXBMFYSA-N	303.450	2.210	70	20	DEID	
COc1ccc(CCC(=O)NOCc2cccnc2)cc1F	160839070	GCEIPVBNFHUUHH-UHFFFAOYSA-N	304.321	2.410	70	20	DEID	
C[C@H](c1cccs1)N(C)C(=O)CS(=O)(=O)C(C)(C)C	160868732	FXXHRAYDYKAXLQ-SNVBAGLBSA-N	303.449	2.481	70	20	DEID	
COC[C@H](O)CCNC(=O)CCCOc1ccc(Cl)cc1	160905690	PWQAVEPUDRKROL-CYBMUJFWSA-N	315.797	2.013	70	20	DEID	
CC[C@@H]1CCN(C(=O)Cc2cccc(S(=O)(=O)CC)c2)C1	160954177	GHGDAQISTOURIB-CYBMUJFWSA-N	309.431	2.281	70	20	DEID	
C[C@@H]1CCN(C(=O)Nc2ccc(OCC(N)=O)cc2)C[C@H](C)C1	159726306	JITDENOFLNMUQY-CHWSQXEVSA-N	319.405	2.451	70	20	DEID	
CC(=O)N1CC[C@H](NC(=O)c2cc3cc(C)ccc3nc2C)C1	159375282	GGQVJPQKXITEON-HNNXBMFYSA-N	311.385	2.202	70	20	DEID	
CC(C)C[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1262732948	ZRIYPMHRNTVBDK-SNVBAGLBSA-N	302.371	2.181	70	20	DEID	
CO[C@H]1CCCN(C(=O)NC[C@@H]2CCCCN2CC(C)C)C1	161002645	JTXYWJBSHOWWKG-HOTGVXAUSA-N	311.470	2.317	70	20	DEID	
COCCOc1cccc(NC(=O)N2CCC[C@@H]2C[C@@H](C)O)c1	161062371	AJVQSSGJNCCAQJ-UKRRQHHQSA-N	322.405	2.479	70	20	DEID	
Cc1ccnc(N2CCN(C(=O)Cc3ccc(F)cc3)CC2)c1	161332030	ILZWHXKLRUPHSJ-UHFFFAOYSA-N	313.376	2.420	70	20	DEID	
C[C@H](Sc1ncnc2[nH]cnc12)C(=O)N(C)c1ccccc1	161379719	GLDDGKGPJFBPCF-JTQLQIEISA-N	313.386	2.497	70	20	DEID	
Cc1cccc([C@H](C)C(=O)NC[C@@H](O)CN2CCCCC2)c1	160316626	UDAVWOOIDAVEAG-DOTOQJQBSA-N	304.434	2.062	70	20	DEID	
COc1ccc([C@@H](C)N(C)C(=O)C(=O)Nc2nocc2C)cc1	160368170	INVOXWHLUGFHAC-LLVKDONJSA-N	317.345	2.150	70	20	DEID	
COc1ccc([C@H](C)N[C@H]2CCc3nc(C)nn3C2)c(OC)c1	160519762	FCMRPRYIUAIWDK-AAEUAGOBSA-N	316.405	2.269	70	20	DEID	
COc1ccc(S(=O)(=O)N(C)[C@H]2CCSC2)cc1Cl	159409777	STTZBGGXENSQNZ-VIFPVBQESA-N	321.851	2.475	70	20	DEID	
Cc1cccc(OCCCC(=O)N(CC(N)=O)CC(C)C)c1	159804593	ZAFWNHGSVOZQDQ-UHFFFAOYSA-N	306.406	2.124	70	20	DEID	
Cc1ccc(NC(=O)C(=O)NCCSc2ccccc2)cn1	159848603	OJHQMIYCZGPFTI-UHFFFAOYSA-N	315.398	2.237	70	20	DEID	
CC(=O)N1CC[C@H](NC(=O)[C@H](C)Oc2cc(C)ccc2Cl)C1	159510304	IZXDGQCKSVBDEE-AAEUAGOBSA-N	324.808	2.153	70	20	DEID	
CCCOc1cccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]2OC)c1	159916263	LSZJWZWGZZJOQY-HUUCEWRRSA-N	320.389	2.098	70	20	DEID	
CCOc1ccccc1N(C)CC(=O)Nc1cc(C)nn1C	159374087	NXILRYKUMDXTEX-UHFFFAOYSA-N	302.378	2.202	70	20	DEID	
CCC1(CC)[C@@H](NC(=O)NCc2cccnc2OC)C[C@H]1OC	159563483	BGWJCFYPRJYFLX-UONOGXRCSA-N	321.421	2.483	70	20	DEID	
Cc1cccc([C@@H](C)C(=O)N2CCN(c3cnccn3)CC2)c1	159569535	ZZWRIPWPYABNRP-OAHLLOKOSA-N	310.401	2.237	70	20	DEID	
COc1ccc([C@H](NS(C)(=O)=O)c2ccccc2OC)cc1	159769017	JUEAUWVFNAAWAN-INIZCTEOSA-N	321.398	2.342	70	20	DEID	
O=C(CSc1nnc(Cc2ccccc2F)o1)NCC1CC1	159396593	RXQBPCVBCRBARO-UHFFFAOYSA-N	321.377	2.418	70	20	DEID	
Cc1nnc(CSc2nnc(-c3cccs3)n2C)n1C	161012302	KVEQHLFTDKHTHL-UHFFFAOYSA-N	306.420	2.273	70	20	DEID	
COC(=O)CCN(C[C@H]1CCCO1)c1cc(C)nc(C(C)C)n1	161238796	HJRQUDPEMJANFA-CQSZACIVSA-N	321.421	2.457	70	20	DEID	
CCN(CC1CCN(c2ccccn2)CC1)[C@H](C)C(=O)OC	160003935	JHFQMZUZDHQTCH-CQSZACIVSA-N	305.422	2.181	70	20	DEID	
CCc1ccc(/C=C/C(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)o1	160004530	PAZRBAGRHVKSIZ-GSGCRYEPSA-N	313.419	2.135	70	20	DEID	
CNC(=O)CCCN(C)C(=O)Nc1ccc(OC(F)F)cc1	160037949	JQMJARMWNGTHGB-UHFFFAOYSA-N	315.320	2.278	70	20	DEID	
O=C(NC1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12)N[C@@H]1CCO[C@]2(CCSC2)C1	160146708	YIKZWCVEIYGOME-PUNSREOUSA-N	322.474	2.385	70	20	DEID	
C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1CCOC2(CCCC2)C1	160191718	DAFXRJPVKUSJFT-OLZOCXBDSA-N	310.438	2.145	70	20	DEID	
Cc1cccc(OC[C@H](C)NC(=O)c2cnc3c(c2)ncn3C)c1	160205675	QTUXDRVTKKVYNL-ZDUSSCGKSA-N	324.384	2.474	70	20	DEID	
CC(=O)NCC(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1	160463759	FPIUQJDUQMNUSM-UHFFFAOYSA-N	323.352	2.493	70	20	DEID	
COc1cccc(CCCNC(=O)N(C)C[C@@H]2CCC[C@@H]2O)c1	160599826	QIHNVILBERCLRE-RDJZCZTQSA-N	320.433	2.430	70	20	DEID	
COc1ccc(-c2nnc(SCc3nncn3C)o2)cc1	160918800	CGBGGPNJQSVDNS-UHFFFAOYSA-N	303.347	2.166	70	20	DEID	
Cc1ccc(C)c(-n2ncc(C(=O)NCCN(C)C)c2C)c1	160976215	VTPNIEVQAWKDIB-UHFFFAOYSA-N	300.406	2.089	70	20	DEID	
CCCCCN1C(=O)C(=O)N(CCc2ccc(OC)cc2)C1=O	159650968	HXQBNKUZPYBMRY-UHFFFAOYSA-N	318.373	2.219	70	20	DEID	
O=C(Nc1ccc(-n2cccn2)cc1)[C@H]1CCn2ccnc2C1	159711361	GESONKUCHYFQKR-ZDUSSCGKSA-N	307.357	2.270	70	20	DEID	
CCC[C@@H](N)C(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O	159746746	GGOJZYNJVUGMCF-TZMCWYRMSA-N	323.824	2.031	70	20	DEID	
Cc1cc(C(=O)N2CCN(C(=O)C(C)(C)C)CC2)cc(Cl)n1	159952442	JIUNNMXHDDGIOR-UHFFFAOYSA-N	323.824	2.374	70	20	DEID	
CNC(=O)c1ccc(CNC(=O)c2c(C)n[nH]c2C(C)C)cc1	159772273	RPQAPDXNNDIOFT-UHFFFAOYSA-N	314.389	2.131	70	20	DEID	
CCOc1cccc2c1OCC(C(=O)N[C@H]1CCC[C@@H](N)C1)=C2	161083772	YMGSHYIMMKQYKT-CABCVRRESA-N	316.401	2.247	70	20	DEID	
CCCCn1c(O)nnc1S(=O)(=O)Cc1ccc(C)cc1	161200939	HTNZAKWSCFZREQ-UHFFFAOYSA-N	309.391	2.066	70	20	DEID	
O=C(NOCc1ccccc1)N[C@H]1[C@H]2CCO[C@@H]2C12CCC2	161313656	APSJIXRWOOTRFI-ILXRZTDVSA-N	302.374	2.375	70	20	DEID	
CC1=NN(CC(C)C)C(=O)[C@@H]1C(=O)Nc1ccc(F)cc1F	160162017	GQLMCUGERDHQGT-ZDUSSCGKSA-N	309.316	2.394	70	20	DEID	
CCCN(CCO)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1	160214174	UZCZFCUOGVYKCR-NVXWUHKLSA-N	319.449	2.063	70	20	DEID	
C[C@@H]1CC(NC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C[C@@H](C)O1	160242646	NGDUUXMWKOTPHR-NXRJPMIISA-N	308.422	2.199	70	20	DEID	
Cc1noc(Cl)c1CC(=O)Nc1ccc2oc(=O)[nH]c2c1	159630799	AGCOFKLLYVWWSE-UHFFFAOYSA-N	307.693	2.252	70	20	DEID	
CCC(CC)(CNCC(=O)N[C@@H]1CCCC[C@@H]1C)C(=O)OC	159669827	OXRHEWQEQDJENG-UONOGXRCSA-N	312.454	2.250	70	20	DEID	
CCCCn1ncc(C(=O)N2CCC[C@H](C(=O)OCC)C2)c1C	159532473	QYKGJIKHOZFYRR-AWEZNQCLSA-N	321.421	2.407	70	20	DEID	
COC[C@H](O)CNC(=O)c1cc2c(s1)-c1ccccc1CC2	159539424	COEKQHNYKWJOMM-CYBMUJFWSA-N	317.410	2.251	70	20	DEID	
CC(C)N1C[C@H](NC(=O)NCCc2cccc(Cl)c2)CC1=O	217289241	SYAVEVMGBJLCBW-CQSZACIVSA-N	323.824	2.191	70	20	DEID	
C[C@@H]1CC[C@@H](COC(=O)c2cccc(S(=O)(=O)F)c2)O1	1334329359	FCCVGGVDCQRBKG-KOLCDFICSA-N	302.323	2.069	70	20	DEID	
COCCN(CCNCc1nccs1)C(=O)OC(C)(C)C	218138820	YKDIEXJZXJAMFT-UHFFFAOYSA-N	315.439	2.116	70	20	DEID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)NC[C@H]1CCSC1	1518118127	JQHYFIPYNSSVJQ-SNVBAGLBSA-N	317.407	2.136	70	20	DEID	
C[C@H](CC(=O)c1cccs1)NC(=O)c1ccc2nncn2c1	161031923	ZWCXZDZCSBSBBK-SNVBAGLBSA-N	314.370	2.182	70	20	DEID	
Cc1ccc(F)cc1NC(=O)C(=O)N[C@H](C)C1CCOCC1	161168525	SCKLXEUSIKOUGC-LLVKDONJSA-N	308.353	2.004	70	20	DEID	
Cc1ccc(Cl)c(NC(=O)N[C@@H](C)[C@H]2CN(C)CCO2)c1	161194919	MCTBQSQWGOWKFK-SMDDNHRTSA-N	311.813	2.489	70	20	DEID	
CCNC(=O)C1CN(C(=O)c2occc2-c2ccc(F)cc2)C1	161297120	LUZCICNAPOFVBG-UHFFFAOYSA-N	316.332	2.294	70	20	DEID	
CCC(CC)n1ncc(C(=O)N2CCN(C3CC3)CC2)c1C	161407432	VHVKDWHJDNCBFD-UHFFFAOYSA-N	304.438	2.473	70	20	DEID	
COC[C@H](O)CCNC(=O)C1CCC(c2ccccc2)CC1	161413421	FXJGRWNKJUGDCK-OFLPRAFFSA-N	305.418	2.474	70	20	DEID	
CCN1CCCC[C@H]1CNC(=O)NCCc1ccc(Cl)nc1	160104967	QGZCMXIVSNQMBC-AWEZNQCLSA-N	324.856	2.451	70	20	DEID	
COc1c(CNCc2c[nH]nc2-c2ccc(C)o2)c(C)nn1C	160174098	AJQRMRHDXYKSEJ-UHFFFAOYSA-N	315.377	2.318	70	20	DEID	
CCCC(=O)N1CCC[C@H](C(=O)NCCc2cccc(O)c2)C1	160237957	PEYOACUDEAGYTA-HNNXBMFYSA-N	318.417	2.090	70	20	DEID	
CCc1c(C(=O)Nc2cccc3cn[nH]c23)[nH]c(C)c1C(N)=O	160340987	ZGYFOQZARSPRPE-UHFFFAOYSA-N	311.345	2.113	70	20	DEID	
CCO[C@@H]1C[C@@H](N(C)C(=O)NC2CCN(C)CC2)C12CCC2	160714481	GHLTUMDJLGWORJ-HUUCEWRRSA-N	309.454	2.070	70	20	DEID	
CS(=O)(=O)Cc1ccc(C(=O)N[C@H]2CCCc3occc32)o1	159639103	SHOMKJDQYMJJIE-LBPRGKRZSA-N	323.370	2.225	70	20	DEID	
COC(=O)c1ccc(NC(=O)CC2CCNCC2)cc1Cl	159465284	PDCPLCHAXBQOEW-UHFFFAOYSA-N	310.781	2.455	70	20	DEID	
CC[C@H](c1ccccc1)N(CC(=O)NC(C)C)CC(=O)OC	159661482	QUVUOPIHOQBFBD-OAHLLOKOSA-N	306.406	2.137	70	20	DEID	
CNC(=O)c1ccc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1	159662116	DLJOEEGKXSLZBA-OAGGEKHMSA-N	300.402	2.093	70	20	DEID	
C[C@@H]1OCCN(C(=O)NC[C@@H](C)N2CCc3ccccc32)[C@H]1C	159886958	AYBLGZFQECCBAA-ILXRZTDVSA-N	317.433	2.256	70	20	DEID	
Cc1onc(-c2ccncc2)c1C(=O)NCC1CCN(C)CC1	159907048	IKSDUXQQUJBJEX-UHFFFAOYSA-N	314.389	2.117	70	20	DEID	
COc1ccc(C[C@@H](C)CN(C)C(=O)[C@@]2(O)CCSC2)cc1	159520312	VLFANGFPQXCQRR-CXAGYDPISA-N	323.458	2.200	70	20	DEID	
CC(C)(C)OC(=O)N1CCSC[C@H]1CC(=O)NC1CC1	160923369	PWPPCPBTVNJZMR-LLVKDONJSA-N	300.424	2.008	70	20	DEID	
CC(F)(F)CNc1ccc([N+](=O)[O-])cc1CS(=O)(=O)F	882399832	BQGDKDUSFWRODF-UHFFFAOYSA-N	312.269	2.461	70	20	DEID	
CSCC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)F)c1	1120947946	OYPGESCTCQIKEV-SECBINFHSA-N	305.396	2.216	70	20	DEID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N[C@H]1CS[C@H](C)C1	1338197364	BVURWVWLYBDRIJ-NXEZZACHSA-N	317.407	2.277	70	20	DEID	
CCNCC1CCN(C(=O)CCc2ccccc2OC)CC1	161013580	ZAFCFAWBUDDQGN-UHFFFAOYSA-N	304.434	2.476	70	20	DEID	
CC[C@@H](C)OCC(=O)NCc1ccc(-n2ccnc2)c(F)c1	161152787	HCWCBDYGVXRMQD-GFCCVEGCSA-N	305.353	2.443	70	20	DEID	
COC(=O)CCNC(=O)CN1c2ccccc2S[C@@H](C)[C@@H]1C	161228190	IEQVCUMOYBOMLH-RYUDHWBXSA-N	322.430	2.055	70	20	DEID	
COc1ccc(NC(=O)C[C@@H](C)NC(=O)C2CCCC2)cc1N	161337109	QXESOCLWXUNWSP-LLVKDONJSA-N	319.405	2.301	70	20	DEID	
Cc1ccc(S(N)(=O)=O)c(C(=O)N2CC[C@@H](C)C[C@@H](C)C2)c1	160048589	PYNGBUROBXBNEA-CHWSQXEVSA-N	324.446	2.151	70	20	DEID	
COC(=O)c1ccc(C)c(S(=O)(=O)NCC2(C3CC3)CC2)c1	160200813	NKLCGUSEZCMPIW-UHFFFAOYSA-N	323.414	2.250	70	20	DEID	
COC(=O)C1(CNc2nc(C(C)(C)C)ns2)CCOCC1	160311582	XIOCBVICFXSACD-UHFFFAOYSA-N	313.423	2.217	70	20	DEID	
CCCCn1ncc(C(=O)N[C@@H](CC(C)C)C(=O)OC)c1C	160507783	UVVBHXWXEKDMPK-AWEZNQCLSA-N	309.410	2.309	70	20	DEID	
C[C@]1(O)CCCN(C(=O)NCCOc2cccc(Cl)c2)C1	160578163	IWSFQOOKRJKMMV-HNNXBMFYSA-N	312.797	2.275	70	20	DEID	
CC[C@@H](NC(=O)CNC(=O)OC(C)(C)C)c1c(C)noc1C	160651891	GSFNDDORAWKLIN-LLVKDONJSA-N	311.382	2.383	70	20	DEID	
C[C@@H](N[C@H](C)c1nnnn1-c1ccccc1)C(=O)OC(C)(C)C	160933253	NHCHFOJQCMWKOZ-VXGBXAGGSA-N	317.393	2.043	70	20	DEID	
CN(Cc1cccn1C)C(=O)CCCNC(=O)c1ccsc1	160944704	XYIZAWXOMCYHHB-UHFFFAOYSA-N	319.430	2.255	70	20	DEID	
O=C1[C@@H](SCCN2CCOCC2)CCCN1c1ccccc1	159807766	CMVLPFLNVCCPQM-INIZCTEOSA-N	320.458	2.247	70	20	DEID	
CNC(=O)Cn1cc(NC(=O)C[C@@H]2CCCCC2(C)C)cn1	159427131	CFHAJWKPNHCECU-LBPRGKRZSA-N	306.410	2.174	70	20	DEID	
C[C@H](O)CCN(C)[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O	159678140	YLOZFTKVFYNKTA-IINYFYTJSA-N	314.788	2.287	70	20	DEID	
C[C@H]1C[C@@H](NC(=O)N2CCOC[C@@H]2C)CN1Cc1ccccc1	159884116	QTSFKULCQGABEZ-YQQAZPJKSA-N	317.433	2.080	70	20	DEID	
COc1cccc([C@H](C)CC(=O)N[C@H](CO)CCSC)c1	159899989	RPCPCKIVCJEOLG-OCCSQVGLSA-N	311.447	2.419	70	20	DEID	
CCOC(=O)CN(C)CC(=O)N[C@@H](CC(C)C)c1ccccc1	159502775	ANIAABXNKCZWOM-INIZCTEOSA-N	320.433	2.385	70	20	DEID	
C[C@@H](O)CN(C)CC(=O)Nc1nc(-c2cccs2)cs1	159383953	GSDYWJMXIPWNLJ-SECBINFHSA-N	311.432	2.123	70	20	DEID	
c1cn(-c2ccc(CN[C@@H]3[C@H]4CCO[C@@H]4C34CCC4)cn2)cn1	159577823	LJVNPDJSZOVYRI-OIISXLGYSA-N	310.401	2.315	70	20	DEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCCC2(CCCC2)C1	1351579269	SLLRQZAJMOBHTR-UHFFFAOYSA-N	314.382	2.469	70	20	DEID	
O=C(Nc1ccccc1C(=O)O)c1cccc(S(=O)(=O)F)c1	1608521089	YDSLYYHMTDAWOE-UHFFFAOYSA-N	323.301	2.295	70	20	DEID	
CCCC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(OC)c(N)c1	161010015	FDBUBRGHGUBCOW-CYBMUJFWSA-N	305.378	2.007	70	20	DEID	
Cc1nn(-c2ccccc2)c(C)c1C(=O)NC[C@@H](C)CCO	161037816	UBKPLNRBNWBJEC-LBPRGKRZSA-N	301.390	2.237	70	20	DEID	
O=c1c2ccoc2ccn1C[C@@H](O)COCc1ccccc1F	161392436	VJILVSOUJOFSJD-CYBMUJFWSA-N	317.316	2.311	70	20	DEID	
Cc1cc(C)n(-c2ccc(C(=O)NCC(C)(C)N)cc2F)n1	160119419	YTGPDMSBGMDIFP-UHFFFAOYSA-N	304.369	2.095	70	20	DEID	
COc1cccc2c1CC[C@H]2NC(=O)C1CCN(C(C)=O)CC1	160178876	GBQZDOBFIXHUCD-MRXNPFEDSA-N	316.401	2.057	70	20	DEID	
CSC[C@](C)(O)CNC(=O)NCCOC1CCCCCC1	160333798	IELFDEZPKXXWJX-OAHLLOKOSA-N	318.483	2.139	70	20	DEID	
COc1ccc(C[C@H](C)CNC(=O)NC[C@@H]2CCOC2)cc1	160563077	GYDXGBUIGDRLAL-ZFWWWQNUSA-N	306.406	2.210	70	20	DEID	
O=C(CCc1ccc(Cl)cc1)NCC1CCN(CCO)CC1	160716186	HKHQKATYVUTBQP-UHFFFAOYSA-N	324.852	2.093	70	20	DEID	
CCC1(CNC(=O)Cc2cccc(S(=O)(=O)CC)c2)CC1	160846036	NMASEJGKRJMEKQ-UHFFFAOYSA-N	309.431	2.329	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)c1cccnc1N1CCCCC1	160869302	NELUHZPLJJYINI-CYBMUJFWSA-N	319.405	2.143	70	20	DEID	
CSCC[C@H](N)C(=O)NC[C@@H](O)c1ccc(C(C)(C)C)cc1	160971010	OGIIBEAWMQPSGI-LSDHHAIUSA-N	324.490	2.214	70	20	DEID	
CO[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(Cl)cc1C	159808874	CIKZRQGPQCWZLF-CHWSQXEVSA-N	310.781	2.271	70	20	DEID	
CC[C@@H](C)[C@H](C)NC(=O)N1CCN(Cc2ccccn2)CC1	159619310	KXGPDXBPLFGDIY-CABCVRRESA-N	304.438	2.343	70	20	DEID	
C[C@@H](C(=O)N1CCC[C@H](N2CCCC2=O)C1)c1ccsc1	159810111	CUTRHYKMHLSFJT-OCCSQVGLSA-N	306.431	2.465	70	20	DEID	
COc1cc(CCC(=O)N[C@@H](C)c2nc[nH]n2)ccc1Cl	159835628	LXZUMBLWBCWIMG-VIFPVBQESA-N	308.769	2.277	70	20	DEID	
NCC(=O)NCCCCSc1ccccc1Br	159546726	LIYZRWRTBKDHSR-UHFFFAOYSA-N	317.252	2.396	70	20	DEID	
CCC[C@H](CCO)CNC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1	159362681	WIIURMBPKMMZAW-WBMJQRKESA-N	322.380	2.234	70	20	DEID	
Cc1cc(NC(=O)c2ccn(-c3cccc(F)c3)n2)c[nH]c1=O	159772419	AFEJCGYLBOTASS-UHFFFAOYSA-N	312.304	2.260	70	20	DEID	
CCCCN1CCCC[C@H]1CNC(=O)NCC(O)(CC)CC	217037520	TYLJVXMEEJMDQQ-HNNXBMFYSA-N	313.486	2.491	70	20	DEID	
NCC[C@@H]1CCN(C(=O)Cc2ccccc2Br)C1	217268439	RHBYNCKPODYFPZ-LLVKDONJSA-N	311.223	2.189	70	20	DEID	
COc1ccccc1CCNC(=O)NOCc1cccnc1	161011670	AZRBOQWHVUGCOO-UHFFFAOYSA-N	301.346	2.064	70	20	DEID	
CCC[C@@](C)(CO)NC(=O)NC[C@H]1CCCCN1CC(C)C	161016439	RJMQQRSHBZJQBQ-WBVHZDCISA-N	313.486	2.347	70	20	DEID	
CNC(=O)C(C)(C)CNc1nc(-c2cccnc2)nc(C)c1C	161077058	FEFFBNPFEKFAMM-UHFFFAOYSA-N	313.405	2.340	70	20	DEID	
Cc1csc(=O)n1CCC(=O)N1CCc2c(F)cccc2C1	161086907	MMKFRISEFLTZJX-UHFFFAOYSA-N	320.389	2.332	70	20	DEID	
CCN(Cc1cnn(C)c1)[C@H](C)C(=O)Nc1nc(C)c(C)s1	161121883	FDQLPVJLFVZLFC-LLVKDONJSA-N	321.450	2.343	70	20	DEID	
O=C(Cn1cnnn1)N1CCCC[C@H]1CCCc1ccccc1	161164903	FICSYRVCBXDKFE-INIZCTEOSA-N	313.405	2.077	70	20	DEID	
COc1ccc(Cn2c(-c3cccnc3)noc2=O)cc1F	161292399	WJBFAPPBSDKZQN-UHFFFAOYSA-N	301.277	2.094	70	20	DEID	
O=C(NC1CCN(C2CC2)CC1)c1csc([C@@H]2CCCO2)n1	161294017	NMJWMYPKVIDMND-AWEZNQCLSA-N	321.446	2.351	70	20	DEID	
COc1ccccc1N1CC[C@@H](NC(=O)C[C@H]2C=CCC2)C1=O	161341037	ZOYSOKJQRICHBU-UONOGXRCSA-N	314.385	2.273	70	20	DEID	
Cc1cc(C)cc(-c2nnc(NC(=O)[C@H]3CSCN3)s2)c1	160115399	VZKFAWVELFEWPJ-LLVKDONJSA-N	320.443	2.423	70	20	DEID	
O=C1C[C@H](C(=O)N[C@@H]2CCSc3c(F)cccc32)CCN1	160196690	BPWIVBQGBFTHJP-BXKDBHETSA-N	308.378	2.005	70	20	DEID	
Cn1cc(CCC(=O)N[C@@H]2CCOC3(CCCCC3)C2)cn1	160327174	YIRQQQRAAWCPMQ-OAHLLOKOSA-N	305.422	2.351	70	20	DEID	
CN(Cc1cccn1C)C(=O)CCCNC(=O)c1ccccc1	160521020	COPAITLUATUHPX-UHFFFAOYSA-N	313.401	2.194	70	20	DEID	
CCC[C@](C)(CO)NC(=O)Nc1ccn(CC(F)(F)F)n1	160676456	GYQXGSOUHYHDSR-LLVKDONJSA-N	308.304	2.118	70	20	DEID	
O=C(Nc1ccccc1-n1ccnc1)[C@H]1CCn2ccnc2C1	159870835	CYQYDRUHSUVANG-ZDUSSCGKSA-N	307.357	2.270	70	20	DEID	
CCOC(=O)CN(C(=O)[C@H](C)Cc1ccc(OC)cc1)C1CC1	159573030	MZOIQPQDTATKAG-CYBMUJFWSA-N	319.401	2.428	70	20	DEID	
Cc1ccc(N2CC[C@H](SCCN3CCOCC3)C2=O)cc1	159999792	SZRQFRQMLUKVNC-INIZCTEOSA-N	320.458	2.166	70	20	DEID	
CO[C@@H](CC(C)C)C(=O)Nc1ccc(S(=O)(=O)F)cc1	460089995	GKKNSEUWVNUSHM-LBPRGKRZSA-N	303.355	2.344	70	20	DEID	
O=C(NC[C@@H]1CCc2ccccc21)c1cc(S(=O)(=O)F)c[nH]1	1337520018	NDQQSMIKIBUQHB-NSHDSACASA-N	322.361	2.133	70	20	DEID	
O=C1[C@@H](N2CC[C@]3(CCOC3)C2)CCCN1c1ccccc1F	161025338	LXLBMIDWRWWZSV-WMZOPIPTSA-N	318.392	2.434	70	20	DEID	
COc1cccc(CNC(=O)N2CCO[C@@H](C)[C@H]2C)c1OC	161350324	FHZSEQWSZZPDER-NEPJUHHUSA-N	308.378	2.023	70	20	DEID	
O=c1c2ccoc2ccn1C[C@H](O)COCc1ccccc1F	161392584	VJILVSOUJOFSJD-ZDUSSCGKSA-N	317.316	2.311	70	20	DEID	
CC(C)(C)C(=O)NCCC(=O)NC[C@H]1[C@H]2c3ccccc3C[C@H]21	161479829	XHYXBRQXDBRPRG-UXLLHSPISA-N	314.429	2.241	70	20	DEID	
O=C(C[C@@H]1COC(=O)C1)NCCCCOc1ccc(F)cc1	160022876	XZBQLXXXQIFEBI-LBPRGKRZSA-N	309.337	2.054	70	20	DEID	
CCN(CCC(=O)c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1	160345305	HMFGESSWSDZNCT-OAHLLOKOSA-N	309.431	2.077	70	20	DEID	
Cc1c(C(=O)N[C@H](C)C[C@H]2CCCO2)cnn1C1CCOCC1	160836695	XDWWWRYRESPHKX-IUODEOHRSA-N	321.421	2.230	70	20	DEID	
C[C@@H]1CCN(C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)C[C@H]1O	160852407	KPLDJBDDNFGEES-DZUCGIPZSA-N	318.417	2.319	70	20	DEID	
O=C(NCC1(O)CCC1)N[C@@H]1CCO[C@@H](c2ccccc2)C1	160908302	BCCDCWLZUKQCOZ-HUUCEWRRSA-N	304.390	2.121	70	20	DEID	
CCOc1ccc(CNC(=O)NCC[C@H](O)CC)cc1OC	160959563	OGEHFFGTVMLCCD-CYBMUJFWSA-N	310.394	2.054	70	20	DEID	
CC(=O)N1CC[C@H](NC(=O)[C@@H](C)c2cc3ccccc3o2)C1	159854116	MFGUVJLZGUEXBK-FZMZJTMJSA-N	300.358	2.273	70	20	DEID	
O=C1[C@H](Sc2nnc(C3CC3)[nH]2)CCCN1CC(F)(F)F	159537842	WAOOATHZXNBKFC-MRVPVSSYSA-N	320.340	2.328	70	20	DEID	
C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N(C)C[C@@H](C)O	159386083	JLYXDFXUWMKEBM-ZJUUUORDSA-N	320.311	2.225	70	20	DEID	
COC(=O)[C@H](C)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1	159580592	ZOPMFVAKQGFUQW-LBPRGKRZSA-N	324.808	2.049	70	20	DEID	
COc1ccccc1CNC(=O)c1ccc(S(=O)(=O)F)cc1	864238758	SEQIUKQKADLIJN-UHFFFAOYSA-N	323.345	2.283	70	20	DEID	
CCCc1cnc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)s1	1336954770	SRFXUICLWWAXQR-UHFFFAOYSA-N	317.367	2.334	70	20	DEID	
O=C(NCCC(=O)N(C[C@@H]1CCOC1)C1CC1)C1CCCCC1	161119715	HTQBAZLZAQHVPX-AWEZNQCLSA-N	322.449	2.101	70	20	DEID	
CNC[C@@H]1CCCN1C(=O)c1nn(-c2ccccc2)c2c1CCC2	161218576	LSIDHGILOMTQPX-HNNXBMFYSA-N	324.428	2.185	70	20	DEID	
CC[C@H](NC(=O)C(=O)Nc1nocc1C)c1cc(F)ccc1F	161360421	OIWSXSRBLZUEJN-LBPRGKRZSA-N	323.299	2.467	70	20	DEID	
CCc1ccccc1C(=O)NCCCN1C[C@@H](C)O[C@H](C)C1	161373745	QLVMJCAJADWOGP-HUUCEWRRSA-N	304.434	2.478	70	20	DEID	
CC[C@@H](C(=O)N(C)Cc1nc(-c2ccccc2)c[nH]1)N(C)C	161373961	CVLIVVXTIYGERB-HNNXBMFYSA-N	300.406	2.375	70	20	DEID	
Cc1ccc(/C=C/C(=O)N2CCS(=O)(=O)C(C)(C)C2)cc1	160102594	BZFBHJGFSWYIGS-CMDGGOBGSA-N	307.415	2.044	70	20	DEID	
O=C(Nc1ccc(O[C@H]2CCOC2)cc1)N1CCC[C@H](CO)C1	160122240	HXEFRIFYKXENKG-BBRMVZONSA-N	320.389	2.091	70	20	DEID	
CN(CC(C)(C)CN1CCOCC1)C(=O)Cc1cccc(F)c1	160212132	SYCNLIBGZDPLEL-UHFFFAOYSA-N	322.424	2.185	70	20	DEID	
O=C(NCCn1cccc1)C(=O)Nc1cc(Cl)ccc1F	160258569	YPYBYJHOQQYNCO-UHFFFAOYSA-N	309.728	2.036	70	20	DEID	
CC(C)(C)CN(CCCO)C(=O)N[C@H]1CCO[C@H](C2CC2)C1	160324751	BERAUQINHFTJJZ-GJZGRUSLSA-N	312.454	2.384	70	20	DEID	
CSC[C@@H](C)C(=O)Nc1ccc(CS(C)(=O)=O)c(F)c1	160342518	LBCHXDBLMSHLJH-SECBINFHSA-N	319.423	2.308	70	20	DEID	
CC(C)[C@@H](CCO)NC(=O)c1ccc(OC[C@H]2CCCO2)cc1	160504234	OATCYEDVAUDBEY-IAGOWNOFSA-N	321.417	2.381	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)Cc1cccc(OC(F)F)c1	160849747	VGUNYNMZYNTFMN-JTQLQIEISA-N	315.316	2.288	70	20	DEID	
CC(C)CN1CCC[C@@H]1CNC(=O)N[C@H]1CCC[C@H](N(C)C)C1	160911896	SREFJOVVHIUZKT-YESZJQIVSA-N	324.513	2.279	70	20	DEID	
CC(=O)N[C@@H](C(=O)Nc1cc(C2CC2)nc(C)n1)C1CCCC1	159860352	OJKUYUHSZGOACS-MRXNPFEDSA-N	316.405	2.296	70	20	DEID	
CC(C)OC(=O)CCNC(=O)COc1ccc2c(c1)CCCC2	159509824	PJJQUTQHFFLHOD-UHFFFAOYSA-N	319.401	2.402	70	20	DEID	
CCOc1ccccc1N(C)CCCN1C(=O)NC(C)(C)C1=O	159367916	QFQHSDORZOOOGX-UHFFFAOYSA-N	319.405	2.242	70	20	DEID	
NC(=O)c1cccc(C(=O)NCCc2cc3ccccc3[nH]2)c1	159584971	LSVGVCOFEQCIHA-UHFFFAOYSA-N	307.353	2.239	70	20	DEID	
CCn1ccnc(N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)c1=O	160223563	NKVKBQYCEMZABK-HOCLYGCPSA-N	312.417	2.196	70	20	DEID	
CC1(C)CC[C@@H](OC(=O)c2ccc(S(=O)(=O)F)cc2)C1=O	840580789	PAQOPVNWSYYRGN-LLVKDONJSA-N	314.334	2.259	70	20	DEID	
CC1(C)CN(c2ccc(S(=O)(=O)F)cn2)[C@@H]1[C@H]1CCCO1	1550621663	VQQUMJFWASLLIV-DGCLKSJQSA-N	314.382	2.134	70	20	DEID	
COC(=O)c1csc(NC(=O)N[C@@H](CO)c2ccccc2)c1	161077997	GMNPCYOKTWZOGR-LBPRGKRZSA-N	320.370	2.390	70	20	DEID	
O=C([C@@H]1CCCNC1)N1CCC(C(F)(F)F)(C(F)(F)F)C1	161083834	MGJQWAIEFUXTJJ-MRVPVSSYSA-N	318.261	2.329	70	20	DEID	
CCCNC(=O)CN(C)CCCc1cc(-c2ccccc2)n[nH]1	161238651	OZYQUMVJDGWESL-UHFFFAOYSA-N	314.433	2.467	70	20	DEID	
CSc1cc(C(=O)N[C@@H](C)C(N)=O)c(Cl)cc1Cl	160177506	QXIIUTLYWJXVKL-YFKPBYRVSA-N	307.202	2.319	70	20	DEID	
CS[C@H](C)CC(=O)Nc1nc(CN2CCOCC2)cs1	160258210	MJMCPSBVZQYHBO-SNVBAGLBSA-N	315.464	2.055	70	20	DEID	
Cc1cccc(OC[C@@H](C)NC(=O)[C@@H]2CCn3ccnc3C2)c1	160356879	YCKMAEFPCVAJHF-HUUCEWRRSA-N	313.401	2.338	70	20	DEID	
CO[C@@H]1CCC[C@H]1NC(=O)NCCCCN1CCC(C)CC1	160383680	XASJNZYDOOPKSK-HZPDHXFCSA-N	311.470	2.365	70	20	DEID	
C[C@H](Sc1ccccc1)C(=O)NC[C@H](O)CN1CCCCC1	160530932	UAGBGGFNIGEAGM-GJZGRUSLSA-N	322.474	2.130	70	20	DEID	
C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)NCC(C)(C)O	160635105	WASUAZYLPUWKDU-LBPRGKRZSA-N	312.841	2.438	70	20	DEID	
CC(C)[C@H](CCO)NC(=O)COc1cccc2c1OC(C)(C)C2	160653897	KEQWEHCNJIXJOG-AWEZNQCLSA-N	321.417	2.302	70	20	DEID	
COc1ccc(S(=O)(=O)N2CCOc3cccc(F)c32)cc1	160677157	DWKSDQSEHYODOS-UHFFFAOYSA-N	323.345	2.422	70	20	DEID	
CN[C@@H]1CCN(C(=O)c2ccc(OCc3ccccn3)cc2)C1	160712850	NFBUZFQALPCJEQ-OAHLLOKOSA-N	311.385	2.095	70	20	DEID	
COC(=O)[C@@H](C)NC(=O)CCCOc1ccc2c(c1)CCC2	159628330	GILVQUSXPXHMAL-GFCCVEGCSA-N	305.374	2.012	70	20	DEID	
COC(=O)[C@@H](C)NC(=O)CCCOc1ccc2c(c1)CCCC2	159632734	MIWVZDLIWXWTEE-CYBMUJFWSA-N	319.401	2.402	70	20	DEID	
CNC(=O)c1ccc(CN[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1	159662006	DLJOEEGKXSLZBA-JYJNAYRXSA-N	300.402	2.093	70	20	DEID	
Cc1cc([C@@](C)(O)CNC(=O)c2cccc3[nH]cnc23)c(C)o1	159759731	GTNIZDULSQQMPN-KRWDZBQOSA-N	313.357	2.410	70	20	DEID	
COc1cccc(CNC(=O)[C@@H]2CCC(=O)C[C@H]2C)c1OC	159777283	ILSZCAJLYAOJPM-BXUZGUMPSA-N	305.374	2.325	70	20	DEID	
CC(C)C(=O)NCCN(C)C(=O)Nc1cnc(C(C)(C)C)nc1	159971471	KSEZNNAOHXZOIV-UHFFFAOYSA-N	321.425	2.010	70	20	DEID	
C[C@@H]1CCCCN1CCCCNC(=O)[C@H](O)c1ccccc1	159594674	ZAIYVZJASJSJRY-NVXWUHKLSA-N	304.434	2.491	70	20	DEID	
O=C(Nc1c(O)cccc1Cl)c1cc(S(=O)(=O)F)c[nH]1	1528227919	YLIVKYZAHFHNGZ-UHFFFAOYSA-N	318.713	2.284	70	20	DEID	
COC[C@@H](O)CCNC(=O)Nc1c(C)cccc1OC(F)F	161168941	CTFQOQZSYNPCJK-JTQLQIEISA-N	318.320	2.115	70	20	DEID	
CNC[C@H]1CCCN1C(=O)c1cccc(Nc2cnccn2)c1	161179731	MDOMHOUCJMOEIU-OAHLLOKOSA-N	311.389	2.044	70	20	DEID	
O=C(NCc1ncccc1F)c1csc([C@@H]2CCCO2)n1	161324463	DFIZZRFOTSDDMG-LBPRGKRZSA-N	307.350	2.459	70	20	DEID	
Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C)on1	161502706	JZSDTQWCTXUFET-LLVKDONJSA-N	309.366	2.064	70	20	DEID	
Cc1cc(C[C@@H](C)NC(=O)c2csc([C@H]3CCCO3)n2)n[nH]1	160158553	LYBQXQBJXJXCAN-NOZJJQNGSA-N	320.418	2.387	70	20	DEID	
CCCN1CCC(N(C)C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)CC1	160239082	RXYDUACLIJLSBJ-WBVHZDCISA-N	323.481	2.460	70	20	DEID	
O=C1CC[C@H]2CN(C(=O)c3c(F)cccc3Cl)CC[C@H]2N1	160604851	OCGNCMIFGPZIRO-JOYOIKCWSA-N	310.756	2.220	70	20	DEID	
CC(C)C[C@H](CO)NC(=O)c1ccnc(OCC(F)(F)F)c1	160675809	OPDSHJLFVKFRRO-LLVKDONJSA-N	320.311	2.160	70	20	DEID	
O=C(c1ccnc(OCC(F)(F)F)c1)N1CCSCC1	160820571	LYICJTMDHBEPKH-UHFFFAOYSA-N	306.309	2.212	70	20	DEID	
Cc1csc(N2CCN(C(=O)[C@@H]3CCC(=O)C[C@H]3C)CC2)n1	159889881	WXYYOECYJKNGDJ-BXUZGUMPSA-N	321.446	2.105	70	20	DEID	
Cc1cccc(-c2[nH]ncc2CN2CCC(CC(N)=O)CC2)c1	159773200	XJJCEDHUILONAE-UHFFFAOYSA-N	312.417	2.473	70	20	DEID	
N#Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1	123033079	PTDZIOUSXZPWBX-UHFFFAOYSA-N	304.302	2.469	70	20	DEID	
C=C[C@H]1CCCCN1C(=O)Cc1ccc(S(=O)(=O)F)cc1	1349623905	FXGQROFRKLZCNK-ZDUSSCGKSA-N	311.378	2.454	70	20	DEID	
C[C@@H](CCO)CNC(=O)CCc1ncc(-c2ccccc2)o1	161017808	COAMGUUQOQSPPP-ZDUSSCGKSA-N	302.374	2.409	70	20	DEID	
CC(C)C[C@@H](CO)NC(=O)[C@@H]1COc2ccc(Cl)cc2C1	161056881	HFJSDUQVIGUPDS-JSGCOSHPSA-N	311.809	2.414	70	20	DEID	
N[C@H]1CCC[C@H](NC(=O)c2cccnc2N2CCCCC2)C1	161218322	QUWNFRCWDCHWSI-KBPBESRZSA-N	302.422	2.072	70	20	DEID	
C[C@@H](Sc1ncnc2[nH]cnc12)C(=O)N(C)c1ccccc1	161379838	GLDDGKGPJFBPCF-SNVBAGLBSA-N	313.386	2.497	70	20	DEID	
CC[C@H](C(=O)N[C@@H](C)CS(=O)(=O)CC)c1ccc(F)cc1	160010935	IVHLRTXAHDYENH-FZMZJTMJSA-N	315.410	2.259	70	20	DEID	
Cc1conc1NC(=O)C(=O)N[C@@H](c1ccccc1)C(C)C	160086631	ACNPICRFOVOQCS-CYBMUJFWSA-N	301.346	2.435	70	20	DEID	
CC[C@H](NC(=O)[C@H](C)NC(=O)c1ccco1)c1c(C)noc1C	160105359	JMTUHLSIRXUKBS-JQWIXIFHSA-N	319.361	2.270	70	20	DEID	
Cc1conc1NC(=O)C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1	160120834	QQQXYYHTJVMDBW-RKDXNWHRSA-N	319.283	2.159	70	20	DEID	
CCNC(=O)c1cccc(CN[C@H]2C[C@H](C)N(C)C[C@@H]2C)c1	160178190	NUVYIHCEZLWFOH-ZQIUZPCESA-N	303.450	2.255	70	20	DEID	
CCCCN(C)S(=O)(=O)Nc1cnn(CC(C)C)c1CC	160370357	ILQAAQRMPBZPQO-UHFFFAOYSA-N	316.471	2.490	70	20	DEID	
Cc1ccc(N2CCN(C(=O)NC[C@@H]3CCOC3)CC2)cc1C	160561048	CJVLLCXBGLEUQE-INIZCTEOSA-N	317.433	2.172	70	20	DEID	
Cc1ccc(-c2nnc([C@H](C)N(C)CC(=O)N(C)C)o2)cc1C	160564006	RDEJPTQPXZUMRT-ZDUSSCGKSA-N	316.405	2.434	70	20	DEID	
COC(=O)c1cccc2c1CCCN2C(=O)[C@H]1CCCCO1	160618324	RRCCQCCPOORWPC-OAHLLOKOSA-N	303.358	2.322	70	20	DEID	
CCO[C@H](CC)C(=O)Nc1ccc(CS(C)(=O)=O)c(F)c1	160654144	YLWODBBUVUUJPK-CYBMUJFWSA-N	317.382	2.124	70	20	DEID	
CC(C)OC(=O)CCNC(=O)c1csc([C@@H]2CCCO2)n1	160771210	RHEGCULUVKIGQK-NSHDSACASA-N	312.391	2.066	70	20	DEID	
C[C@H](NC(=O)c1ccco1)C(=O)N1CCc2c(F)cccc2C1	160844832	GCKZBUYZHUZHDZ-NSHDSACASA-N	316.332	2.122	70	20	DEID	
Cc1conc1NC(=O)C(=O)NCCCc1ccc(Cl)cc1	160928029	CTGZQOPJJZXQAU-UHFFFAOYSA-N	321.764	2.324	70	20	DEID	
C[C@@]1(c2ccccc2)CN(C(=O)[C@H](N)Cc2ccccc2)CCO1	159646417	OAYWAIQPXGCHLL-QUCCMNQESA-N	324.424	2.331	70	20	DEID	
CCCn1ncc(C(=O)NC[C@H](C)CC(=O)OCC)c1C1CC1	159494143	VGPBHLLIGWDECL-GFCCVEGCSA-N	321.421	2.490	70	20	DEID	
Cc1ccc(CNC(=O)NCC(=O)NCC2(C3CC3)CC2)cc1	159744489	XBLAPFZMDLLDIW-UHFFFAOYSA-N	315.417	2.101	70	20	DEID	
CC(C)CC1(CNC(=O)N2CCC[C@H]2C(=O)NC2CC2)CC1	159759378	MBEIMTSIECDKCY-AWEZNQCLSA-N	307.438	2.265	70	20	DEID	
O=C(N[C@H]1CCc2[nH]ncc2C1)N[C@H]1CCCc2occc21	159771682	AGJRSUZOZNTKDW-FZMZJTMJSA-N	300.362	2.237	70	20	DEID	
CC(C)OC(C)(C)C(=O)Nc1cccc(S(=O)(=O)F)c1	460089387	FFYCQRWPFWHBCQ-UHFFFAOYSA-N	303.355	2.487	70	20	DEID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N=[S@@](C)(=O)C(C)C	1121231980	BHRFEKUCEOVSHA-IBGZPJMESA-N	321.395	2.300	70	20	DEID	
C[C@@H](C1CC1)N(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CC1	1120866865	ZSNJHTYANLNNPN-QMMMGPOBSA-N	300.355	2.076	70	20	DEID	
COc1ccccc1CCNC(=O)N[C@H]1CCOC(C)(C)C1	161048414	BWPXLLQPTYSMGI-AWEZNQCLSA-N	306.406	2.495	70	20	DEID	
CSCC[C@H](N)C(=O)NCc1ccccc1OCC1CC1	160100408	WAAWCVJXTNIZGP-AWEZNQCLSA-N	308.447	2.172	70	20	DEID	
CC[C@@H](COC)NS(=O)(=O)c1cccc(C(F)(F)F)c1	160283075	NYIQMHWDDQILIB-JTQLQIEISA-N	311.325	2.409	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)c1occc1Br	160452192	RHQUAXTUXYTHNL-SSDOTTSWSA-N	304.140	2.114	70	20	DEID	
CC[C@@](C)(O)CNC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1	160666069	QSQIVKALNVUHKW-HLLBOEOZSA-N	306.406	2.367	70	20	DEID	
Cc1nn(C)c(C)c1C(=O)C(=O)Nc1cccc(OCCF)c1	160669089	PXEOIZNIFNOAAS-UHFFFAOYSA-N	319.336	2.207	70	20	DEID	
CN(C)C1CCN(CCNC(=O)C2CCC(C)(C)CC2)CC1	160981911	ONZZFKCINMGZKM-UHFFFAOYSA-N	309.498	2.345	70	20	DEID	
CC[C@H](C)[C@@H](O)CNC(=O)c1cc(OC)c(OC)cc1Cl	159401188	FXCIASWJRYALNY-CABZTGNLSA-N	315.797	2.494	70	20	DEID	
CCn1c(SCC(=O)NC(C)C)nc2ccc(F)cc2c1=O	159475875	ZSGMATZJDSRLKY-UHFFFAOYSA-N	323.393	2.172	70	20	DEID	
COc1c(F)cc(NC(=O)N2CCC[C@@](C)(O)C2)cc1F	159738027	XMVLLPSFMISQIZ-CQSZACIVSA-N	300.305	2.352	70	20	DEID	
CN(CC(F)F)C(=O)CCc1ccc(S(=O)(=O)F)cc1	1517127408	XDAYFFOJTWATSO-UHFFFAOYSA-N	309.309	2.001	70	20	DEID	
CCOc1ccc(C(=O)CCC(=O)NC[C@H](C)CCO)cc1	161022262	QNDXDOIDIXCOSE-CYBMUJFWSA-N	307.390	2.183	70	20	DEID	
CC[C@@H](C(=O)N[C@@H]1CCOC2(CCCCC2)C1)N1CCCC1=O	161052042	GYBMHGRRTVAWKJ-CABCVRRESA-N	322.449	2.386	70	20	DEID	
COCCOc1cccc(NC(=O)N(C)CC2(O)CCCC2)c1	161058354	MOKAKLIYFIIAHB-UHFFFAOYSA-N	322.405	2.481	70	20	DEID	
Cc1conc1NC(=O)C(=O)N[C@@H](C)c1cccc(C)c1C	161219372	YIPNTQWKSOJVSB-LBPRGKRZSA-N	301.346	2.416	70	20	DEID	
Cc1ccc(NC(=O)NCc2ccc([S@](C)=O)cc2)cn1	161310576	TUDZNANLTHNQHL-OAQYLSRUSA-N	303.387	2.449	70	20	DEID	
CC(C)Oc1cncc(C(=O)N2CC[C@@H](N3CCCC3)C2)c1	161330672	WDAKAXISZPIDIM-OAHLLOKOSA-N	303.406	2.179	70	20	DEID	
Cc1csc(CNC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)n1	161336234	JVRHLDJYZDPWAQ-UHTWSYAYSA-N	307.419	2.208	70	20	DEID	
Cc1noc(C)c1[C@H](C)CNC(=O)CCC(=O)NC1CCCC1	161404005	REBIEGOHWOPJBT-LLVKDONJSA-N	321.421	2.350	70	20	DEID	
CCOCCC1(CNC(=O)c2ccc3nncn3c2)CCC1	161429536	SSGKJRSVDMIGCJ-UHFFFAOYSA-N	302.378	2.056	70	20	DEID	
N[C@@H]1CCC[C@H](NC(=O)c2ccn(-c3cccc(F)c3)n2)C1	161483122	GYPCGEXUBBHPGK-OLZOCXBDSA-N	302.353	2.011	70	20	DEID	
Cc1ccc(S(C)(=O)=O)cc1C(=O)NCC1(C2CC2)CC1	160122260	HCIMUEFUNPTUPH-UHFFFAOYSA-N	307.415	2.319	70	20	DEID	
CCC(CC)c1cc(C(=O)NC[C@H](O)CN2CCCCC2)on1	160504763	TZBPSJGRJSIJJO-AWEZNQCLSA-N	323.437	2.155	70	20	DEID	
O=C(NC1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1cccc(F)c1	160631531	JPEKIZVICVKUTI-SJORKVTESA-N	320.408	2.323	70	20	DEID	
CCNC(=O)CCCC(=O)N[C@H](C)CC(=O)c1cccs1	160848810	UWRRFXLTDSUGNC-LLVKDONJSA-N	310.419	2.132	70	20	DEID	
C[C@H](OC[C@H]1CCCO1)C(=O)N1CCc2c(F)cccc2C1	160972375	YJBQHPRQJXUDMW-GXTWGEPZSA-N	307.365	2.295	70	20	DEID	
COC[C@](C)(CC(=O)OC)NC(=O)c1ccc(F)c(Cl)c1	160996850	OLBQOQOVJGRVEY-AWEZNQCLSA-N	317.744	2.177	70	20	DEID	
Cc1cc(C(=O)N(C)C)cc(C)c1OCC(=O)N1CCCCC1	159815781	HWUINYOKITUWCG-UHFFFAOYSA-N	318.417	2.397	70	20	DEID	
Cc1ccccc1[C@H](C)NCCCCN1CCN(CCO)CC1	159635006	MSUZGCBHLFYMRL-SFHVURJKSA-N	319.493	2.036	70	20	DEID	
COc1cc(C(=O)NCC(=O)OC2CCCCC2)ccc1F	159461790	ZXEWTBFWTYNJLG-UHFFFAOYSA-N	309.337	2.440	70	20	DEID	
CCc1onc(C)c1NC(=O)Nc1ccnn1C[C@@H]1CCOC1	159715303	JWUZVMJGENHQSH-NSHDSACASA-N	319.365	2.422	70	20	DEID	
O=C(Nc1ccccc1C(=O)N1CCNCC1)c1ccsc1	159384744	LCSBLHWZZVQQMY-UHFFFAOYSA-N	315.398	2.046	70	20	DEID	
CSCC[C@H](N)C(=O)N[C@@H](C)c1ccccc1-n1cccn1	159590113	XHMMIPSDVIABRM-JSGCOSHPSA-N	318.446	2.130	70	20	DEID	
CO[C@@H](C)CCNc1ccc([N+](=O)[O-])cc1CS(=O)(=O)F	881905312	PFLRGBNBNIHGES-VIFPVBQESA-N	320.342	2.231	70	20	DEID	
CC[C@H]1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1528214678	LTKSFIANJDKOGO-VHSXEESVSA-N	302.371	2.229	70	20	DEID	
CSCC[C@H](N)C(=O)NCc1ccccc1OC1CCC1	161200117	JFKOTITYVSOQCG-AWEZNQCLSA-N	308.447	2.315	70	20	DEID	
O=C(/C=C/C(=O)NC(C1CC1)C1CC1)Nc1ccc2[nH]ncc2c1	161410588	XYCSBALKTMXMSP-BQYQJAHWSA-N	324.384	2.362	70	20	DEID	
CCCCN(C)c1ccc(C(=O)N2CCCC[C@H]2C(N)=O)cc1	160070042	AKWWFKGORGKSHF-INIZCTEOSA-N	317.433	2.403	70	20	DEID	
CC(C)CO[C@H]1CCN(C(=O)NCCCC(=O)OC(C)C)C1	160120295	GCEMKSXIAYJJJY-AWEZNQCLSA-N	314.426	2.175	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)c1sccc1OC(F)F	160229846	GMKHEDOZSQFQNP-ZETCQYMHSA-N	307.318	2.421	70	20	DEID	
O=C(COC[C@H]1CCCO1)N[C@@H]1CCOC2(CCCCC2)C1	160432312	YDDIMXLUUFODOA-HUUCEWRRSA-N	311.422	2.180	70	20	DEID	
O=C1NC2(CCCC2)C(=O)N1CCN1CCC[C@@H]1C1CCC1	160456142	OSGHMVLMBVVTTP-CQSZACIVSA-N	305.422	2.116	70	20	DEID	
COC[C@H](NC(=O)Nc1ccc(O[C@H]2CCOC2)cc1)C1CC1	160470748	BMARHGUNDQKXGV-HOTGVXAUSA-N	320.389	2.401	70	20	DEID	
C[C@@H](CC(=O)N[C@H]1CC(=O)N(C2CC2)C1)c1ccc(F)cc1F	160665451	VZQSATLWPSSGKN-JQWIXIFHSA-N	322.355	2.338	70	20	DEID	
O=C(NCc1ccccc1OCC1CC1)NC[C@H]1CCCO1	160817343	QWZOTZOLDHAYKM-OAHLLOKOSA-N	304.390	2.454	70	20	DEID	
Cc1ccc(C[C@H](C)NS(=O)(=O)N2CCCCC2)s1	159651628	GZMNRIKHTFCHIM-NSHDSACASA-N	302.465	2.308	70	20	DEID	
O=S(=O)(NC[C@@H](O)C1CCCCC1)C1Cc2ccccc2C1	159533328	MBCSWMPQBNVAKA-QGZVFWFLSA-N	323.458	2.014	70	20	DEID	
CCN1CCCN(C(=O)N[C@H](C)Cc2ccc(O)cc2)CC1	159740102	STYJQNRYNDFWBB-CQSZACIVSA-N	305.422	2.060	70	20	DEID	
NC(=O)NC[C@@H]1CCCCN1C(=O)c1ccc(F)c(Cl)c1	159775277	WFWSDCXCHNKJBP-JTQLQIEISA-N	313.760	2.142	70	20	DEID	
CCn1cc(S(=O)(=O)Nc2cccc(Cl)c2O)nc1C	160390937	YKFQCJKRAUTRLB-UHFFFAOYSA-N	315.782	2.371	70	20	DEID	
CN(C)c1cc(C(=O)Nc2ccc(S(=O)(=O)F)cc2)ccn1	123063435	UQYISGAKAFKPKQ-UHFFFAOYSA-N	323.349	2.058	70	20	DEID	
COC/C(C)=C\C(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	857672683	GVIARJMPKSNDQV-YVMONPNESA-N	305.302	2.015	70	20	DEID	
N#C[C@H]1CC[C@@H](NC(=O)CCc2ccc(S(=O)(=O)F)cc2)C1	1130174390	KBIRSBIDLLJWOU-QWHCGFSZSA-N	324.377	2.086	70	20	DEID	
CO[C@H](C)CN(C)C(=O)c1cc(S(=O)(=O)F)ccc1Cl	1338923833	HUMKUFKFAJBYFI-MRVPVSSYSA-N	323.773	2.105	70	20	DEID	
CC(C)N(Cc1ccco1)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1337726667	QTLFVOLMDXXGOZ-UHFFFAOYSA-N	314.338	2.317	70	20	DEID	
CC[C@@H](C)[C@@H](C)NC(=O)Cc1ccc(S(=O)(=O)F)cc1	1262734706	GCSKAEDHZJVTRK-GHMZBOCLSA-N	301.383	2.438	70	20	DEID	
CC1(C)CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1348696236	NQWWTIKBRZEZMH-UHFFFAOYSA-N	302.371	2.325	70	20	DEID	
CCNCC1CCN(C(=O)COc2ccc(OCC)cc2)CC1	161077740	SQXDHTSVOZKNBH-UHFFFAOYSA-N	320.433	2.312	70	20	DEID	
CN(Cc1nccn1C)CC1CCN(C(=O)C(C)(C)C)CC1	161157086	SQJWKSULERWXNP-UHFFFAOYSA-N	306.454	2.137	70	20	DEID	
CNC(=O)c1ccc(Cl)c(NC(=O)N[C@@]2(C)CCOC2)c1	161163274	DXUAGFNQTXBLMN-AWEZNQCLSA-N	311.769	2.000	70	20	DEID	
Cc1ccc(C)c(-n2ccnc2S(=O)(=O)CCCCCO)c1	161207419	DIERMLRINXWTJR-UHFFFAOYSA-N	322.430	2.425	70	20	DEID	
C[C@]1(C(=O)NCCCCOc2ccc(F)cc2)CCCNC1	161316198	LLVDVLDVMUTDOC-KRWDZBQOSA-N	308.397	2.491	70	20	DEID	
Cc1ccccc1[C@@H]1CN(C(=O)C[C@H]2COC(=O)C2)[C@H](C)CO1	161367197	LSYKJWFAINDNCB-FMKPAKJESA-N	317.385	2.237	70	20	DEID	
CCCNC(=O)c1ccc(NC(=O)N[C@@]2(C)CCOC2)cc1	161445132	VGMNKCPKIUAZMD-INIZCTEOSA-N	305.378	2.127	70	20	DEID	
CN(C[C@@H]1CCC[C@H]1O)C(=O)N[C@@H](CCCO)c1ccccc1	161474644	AUTFRDXKBWYLPZ-YESZJQIVSA-N	320.433	2.303	70	20	DEID	
CS[C@H](C)CC(=O)Nc1cccc(OCC(=O)N(C)C)c1	160112796	ILHKVKHRPANBEQ-LLVKDONJSA-N	310.419	2.234	70	20	DEID	
CC(C)CSCCCNC(=O)c1cc(C(N)=O)cs1	160659114	OBYWFRPYDANXIW-UHFFFAOYSA-N	300.449	2.356	70	20	DEID	
CCN(CCNC(=O)Nc1ccn(CC(F)(F)F)n1)C(C)C	160740766	HKMXEXVOUMVQHB-UHFFFAOYSA-N	321.347	2.297	70	20	DEID	
CCCn1c(C)nnc1CN(CC(=O)OCC)C1CCCC1	160900475	IJYQXXSJOSYAKJ-UHFFFAOYSA-N	308.426	2.304	70	20	DEID	
C[C@@H](NC(=O)C1(C)CCCCC1)c1cccc(S(N)(=O)=O)c1	160973521	ITJHNRKCMTWWDO-GFCCVEGCSA-N	324.446	2.482	70	20	DEID	
CCC(CC)(CC)CNC(=O)N1CCN(c2cnn(C)c2)CC1	159868547	FQOFNHNHHHWSHP-UHFFFAOYSA-N	321.469	2.468	70	20	DEID	
CCOCCC1(CNC(=O)Nc2ccc(F)c(C(N)=O)c2)CC1	159695181	YTMJNDMPXGEWJB-UHFFFAOYSA-N	323.368	2.253	70	20	DEID	
CC(=O)N1CC[C@@H](NC(=O)c2ccc(Oc3ccccc3)o2)C1	159563094	RZYIEOLYWDPYKM-CYBMUJFWSA-N	314.341	2.423	70	20	DEID	
O=C1C[C@H](C(=O)Oc2ccc3c(c2)OCO3)[C@H]2CCCC[C@@H]2N1	217049320	LYDMMKHWDNEEOV-AGIUHOORSA-N	317.341	2.016	70	20	DEID	
CC(=O)CCCCOC(=O)c1ccc(S(=O)(=O)F)cc1	490536773	MFTVNXWWCWOVOG-UHFFFAOYSA-N	302.323	2.261	70	20	DEID	
COCCN(CC(C)C)C(=O)c1cccc(S(=O)(=O)F)c1	1120866633	UKPUFWZCKSUOCE-UHFFFAOYSA-N	317.382	2.089	70	20	DEID	
Cn1nc(Br)c2c(Oc3ccc(F)nc3)ncnc21	161233259	GSCYKTNYUYETMS-UHFFFAOYSA-N	324.113	2.452	70	20	DEID	
Cn1ccnc1C(=O)c1ccc(NC(=O)[C@H]2CCCCO2)cc1	160114228	DHMDNORDGFSCII-CQSZACIVSA-N	313.357	2.159	70	20	DEID	
Cc1ccc(C(=O)c2ccccc2C(=O)N2CC[C@@H](N)C2)cc1	160239603	JFISANHNFCHBPU-OAHLLOKOSA-N	308.381	2.399	70	20	DEID	
CC(C)(C)CNC(=O)c1ccc(C(=O)Nc2cn[nH]c2)cc1	160399946	FXVVYCAOSBMMOA-UHFFFAOYSA-N	300.362	2.438	70	20	DEID	
c1ccn2c(CN3CCC[C@@H](c4nnc5n4CCC5)C3)cnc2c1	160442879	HKVSFBGBTUXXAY-CQSZACIVSA-N	322.416	2.252	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)Cc1ccccc1OC(C)C	160468969	UUZAAZOXKUBPBK-ZDUSSCGKSA-N	307.390	2.474	70	20	DEID	
COc1cc(C)c(S(=O)(=O)Nc2[nH]nc(C)c2C)cc1C	160473178	RCXPFXUXEWLMAH-UHFFFAOYSA-N	309.391	2.453	70	20	DEID	
Cc1cc(NC(=O)N[C@H](C)C2CCC2)ccc1-n1cnnn1	160556784	JMUPDIRKJVYJDN-LLVKDONJSA-N	300.366	2.281	70	20	DEID	
C[C@H](O)CC(C)(C)CNC(=O)Nc1ccn(CC(F)(F)F)n1	160609713	WEJSKOPYDRTYTN-VIFPVBQESA-N	322.331	2.364	70	20	DEID	
C[C@H](NC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1)c1nc[nH]n1	160924903	YQPZTTCRZQQDPX-YUTCNCBUSA-N	315.377	2.085	70	20	DEID	
Cc1ccoc1C(=O)NCCCNC(=O)CCCn1cccc1	159629494	VGXYLENFBBXCBK-UHFFFAOYSA-N	317.389	2.106	70	20	DEID	
CCS(=O)(=O)c1cccc(CC(=O)N[C@@H]2CCC[C@H]2C)c1	159826035	FNHNKUASSHUQIM-IUODEOHRSA-N	309.431	2.328	70	20	DEID	
C[C@H](CNC(=O)CN)Sc1ccc(Br)cc1	159653528	IJRJPHWPNUFAKL-MRVPVSSYSA-N	303.225	2.005	70	20	DEID	
CC(=O)N1CC[C@@H](NC(=O)c2ccc(N3CCCCC3)cc2)C1	159658635	QVGAINOSFCRQCA-MRXNPFEDSA-N	315.417	2.028	70	20	DEID	
C[C@@H](N)C(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1	159853242	GFMAEMFFJAGFBX-GFCCVEGCSA-N	324.446	2.220	70	20	DEID	
CC[C@H](C)OCC(=O)NCC(C)(C)NC(=O)OC(C)(C)C	159465546	AYLQTUFBILJACS-NSHDSACASA-N	302.415	2.221	70	20	DEID	
C[C@@H](C(=O)N1CCC[C@H](CN2CCOCC2)C1)c1cccs1	159912179	VFGCPEPAAUTRRK-HUUCEWRRSA-N	322.474	2.422	70	20	DEID	
CN(CC(=O)Nc1cc(C(C)(C)C)nn1C)C[C@H]1CCCCO1	159537319	SBLMBEXJFPTHBP-CYBMUJFWSA-N	322.453	2.157	70	20	DEID	
NC(=O)NC[C@H]1CCCCN1C(=O)c1ccc(F)c(Cl)c1	159775137	WFWSDCXCHNKJBP-SNVBAGLBSA-N	313.760	2.142	70	20	DEID	
O=C(NC[C@@H](O)CN1CCCCC1)C12CC3CC(CC(C3)C1)C2	159980672	RWSWJJQIKNJETQ-YMVOSSCXSA-N	320.477	2.166	70	20	DEID	
O=C(c1ccc(Cl)cc1O)N1CCS[C@@H]2COCC[C@H]21	161033642	BJZZOEQDHWYWHX-DGCLKSJQSA-N	313.806	2.392	70	20	DEID	
C[C@H]1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)F)cc2)CCO1	274983472	QDSPVMVZWYVTRD-UWVGGRQHSA-N	301.339	2.098	70	20	DEID	
Cc1[nH]c2ccccc2c1CCNC(=O)C[C@H]1COC(=O)C1	161140925	YPJWRCCMYHNRJJ-GFCCVEGCSA-N	300.358	2.088	70	20	DEID	
Cc1ccc(NC(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)cn1	161305046	GMXHZDVIWXBNMX-HNNXBMFYSA-N	316.405	2.303	70	20	DEID	
CCC(CC)n1ncc(C(=O)N2CCC[C@@H](NC(C)=O)C2)c1C	160115381	WZQHGHLPKOLNJD-CQSZACIVSA-N	320.437	2.293	70	20	DEID	
COC[C@H](NC(=O)Nc1ccc(C(=O)N(C)C)c(C)c1)C1CC1	160496409	MJVZCUSNNAHIBR-HNNXBMFYSA-N	319.405	2.243	70	20	DEID	
Oc1cccc(N2CCN(CCCN3CCCCC3)CC2)c1	160504196	OMCYYFSHDLQUJC-UHFFFAOYSA-N	303.450	2.390	70	20	DEID	
COC[C@H](NC(=O)NCc1cccc(N2CC=CC2)c1)C1CC1	160536393	VARBKNCOKJKKBV-KRWDZBQOSA-N	315.417	2.287	70	20	DEID	
Cc1cc(NC(=O)N[C@@H](C)C2CCC2)ccc1-n1cnnn1	160556637	JMUPDIRKJVYJDN-NSHDSACASA-N	300.366	2.281	70	20	DEID	
CNC(=O)CCCN(C)C(=O)Nc1ccc(N(C)C)cc1C	160715455	FPFGJQVEQSXXRG-UHFFFAOYSA-N	306.410	2.051	70	20	DEID	
CCOc1ccccc1N(C)CC(=O)N[C@@H](C(C)=O)C(C)C	159425194	RBVQDYFICPJVBE-QGZVFWFLSA-N	306.406	2.251	70	20	DEID	
C[C@H](NC(=O)C1(NC(N)=O)CC1)c1ccc(C(F)(F)F)cc1	159841895	FTAODGQWSAYTON-QMMMGPOBSA-N	315.295	2.084	70	20	DEID	
CCc1noc2ncc(C(=O)NCC3(N)CCCCC3)cc12	159473354	WNUWTUBEDYGOJZ-UHFFFAOYSA-N	302.378	2.177	70	20	DEID	
Fc1ccc(CN2CCCN(CCn3ccnc3)CC2)cc1	159709931	KXLMNTHKXCZCBA-UHFFFAOYSA-N	302.397	2.230	70	20	DEID	
CC[C@H](C)NC(=O)C(=O)Nc1cnn(-c2ccccc2F)c1C	159907680	IPABYLUVGVDYNP-JTQLQIEISA-N	318.352	2.173	70	20	DEID	
O=C(CC[C@@H]1CCCO1)Nc1ccc(S(=O)(=O)F)cc1	123040403	ZCILPMQEHHRZDT-NSHDSACASA-N	301.339	2.243	70	20	DEID	
C[C@@]1(CNC(=O)c2ccc(S(=O)(=O)F)cc2)CCCS1	865209271	MOTQWAAHFQBLIM-ZDUSSCGKSA-N	317.407	2.360	70	20	DEID	
O=C(CCc1ccc(S(=O)(=O)F)cc1)NC[C@H]1C=CCC1	1338240898	FBTLIFYLEFTOCC-ZDUSSCGKSA-N	311.378	2.360	70	20	DEID	
O=C(/C=C\c1nccs1)Nc1cccc(S(=O)(=O)F)c1	1337342073	BTUKKNJPATUKES-PLNGDYQASA-N	312.347	2.453	70	20	DEID	
COc1ccc(CNC(=O)CN[C@H](C)c2cncc(F)c2)cc1	161002162	WSRLGSNUIGEZLD-GFCCVEGCSA-N	317.364	2.196	70	20	DEID	
CC[C@H](CC1CCCCC1)C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1	161237701	NUWFRNJZZNFOSS-QLFBSQMISA-N	310.438	2.132	70	20	DEID	
CCO[C@H]1C[C@H](O)C12CCN(CCCN1CCCCC1)CC2	161375880	DIDYGUQEJOVMKF-IRXDYDNUSA-N	310.482	2.114	70	20	DEID	
CCOc1ccc([C@H]2CCCN2C(=O)[C@@H]2CCNC(=O)C2)cc1	160014177	RWRGBDBQPFMLTP-GDBMZVCRSA-N	316.401	2.275	70	20	DEID	
CCOC(=O)c1cnc(N[C@@H]2CCO[C@H](C3CC3)C2)nc1C	160273232	MNHKYHVAQZUBLE-OCCSQVGLSA-N	305.378	2.331	70	20	DEID	
CCOc1c(Cl)cc(C(=O)N(C)[C@H](C)CO)cc1OC	160375778	JUZUHIKXVMMIMY-SECBINFHSA-N	301.770	2.200	70	20	DEID	
Cc1cc(Cl)cc(C(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)c1	160557242	JVNMVMOOGOKVMJ-FZMZJTMJSA-N	306.793	2.389	70	20	DEID	
CCOCCC1(CNC(=O)N[C@@H]2CCC[C@H](N(C)C)C2)CC1	160907192	BZPXMEMZXYFEHF-CABCVRRESA-N	311.470	2.365	70	20	DEID	
O=C(CCCNC(=O)c1cccnc1)NCc1ccc(F)cc1	159602973	XKSGAOBPYAWDKP-UHFFFAOYSA-N	315.348	2.047	70	20	DEID	
Cc1nc(CC(=O)N2CCC[C@@H](NC(=O)C(C)C)C2)c(C)s1	159628588	HEIWAIYXQOTBDF-CYBMUJFWSA-N	323.462	2.066	70	20	DEID	
Cc1cccc([C@H]2CCCN2CC(=O)NCC(F)(F)F)n1	159859470	SMNGPGLPTRYIKP-GFCCVEGCSA-N	301.312	2.205	70	20	DEID	
CC[C@@H]1CCCCN1C(=O)CNCC(CC)(CC)C(=O)OC	159664697	FAQVPFPUDZEMIR-CQSZACIVSA-N	312.454	2.347	70	20	DEID	
C[C@@H]1CSc2ccccc2N(C(=O)CN2CCCC2=O)C1	159668902	VFNBRMVPFSWPCO-LBPRGKRZSA-N	304.415	2.384	70	20	DEID	
COc1ccc(NC(=O)N(C)CCNC(=O)C(C)C)cc1F	159474771	SHUNGIWEJUAIRH-UHFFFAOYSA-N	311.357	2.070	70	20	DEID	
Cc1nn(C)c(C)c1[C@@H](OC(=O)[C@H]1CCCO1)C(F)(F)F	159876837	AZJPUWNZSMKBDA-MWLCHTKSSA-N	306.284	2.363	70	20	DEID	
CCN1CCCN(C(=O)NCc2cccc3cccnc23)CC1	159777324	CMUONQBKHQUWCK-UHFFFAOYSA-N	312.417	2.472	70	20	DEID	
COc1cccc2c1CC[C@H]2NC(=O)CCCNC(=O)C1CC1	159991321	ZNEHESXCXBVKBX-OAHLLOKOSA-N	316.401	2.105	70	20	DEID	
COCC1(CC(=O)Nc2ccc(S(=O)(=O)F)cc2)CC1	460095806	SNBSXCADUFYAKL-UHFFFAOYSA-N	301.339	2.100	70	20	DEID	
O=C(Nc1cccc2[nH]ccc12)c1cc(S(=O)(=O)F)c[nH]1	1516689516	LNRPYSHIRRCPMI-UHFFFAOYSA-N	307.306	2.407	70	20	DEID	
C[C@@H]1CCC[C@@H](NC(=O)CCCNC(=O)c2cccnc2)C1	161054442	RCFPMJLNLRYBRD-UKRRQHHQSA-N	303.406	2.287	70	20	DEID	
CCCN(Cc1cnc2ccc(C)cn12)[C@H]1CCS(=O)(=O)C1	161122140	JKVKTVXKGFHYMU-AWEZNQCLSA-N	321.446	2.042	70	20	DEID	
CC/C=C(/C)C(=O)N[C@H]1CCN(c2ccccc2OC)C1=O	161311486	KGPAEWDYHPFLGI-OTAKNEKHSA-N	302.374	2.273	70	20	DEID	
COc1cccc(CNC(=O)N2CCO[C@H](C)[C@H]2C)c1OC	161350557	FHZSEQWSZZPDER-VXGBXAGGSA-N	308.378	2.023	70	20	DEID	
COc1cccc(OCCCNC(=O)[C@H](N)c2ccccc2)c1	161360326	FBSHGAQWVVXJKF-QGZVFWFLSA-N	314.385	2.280	70	20	DEID	
CCc1nccn1[C@@H]1CCCN(Cc2nsc(N(C)C)n2)C1	160003238	FYCHJULKNOTODC-GFCCVEGCSA-N	320.466	2.200	70	20	DEID	
CCC(CC)(CNC(=O)NC[C@@H]1CCCS1)C(=O)OC	160178740	CONOYPWBBMESBJ-NSHDSACASA-N	302.440	2.161	70	20	DEID	
CSC[C@@H](CCO)N[C@@H](C)c1cccc(N2CCOC2=O)c1	160262311	JCULFYSCXLOXLU-GXTWGEPZSA-N	324.446	2.408	70	20	DEID	
O=C(Nc1ccn(CC(F)(F)F)n1)N[C@H]1CCCSC1	160451842	NYRMBILZMGGKQS-QMMMGPOBSA-N	308.329	2.463	70	20	DEID	
COC(C)(C)C[C@@H](C)NC(=O)c1cccn1C1CCNCC1	160967647	AZLGSNKXYXBQRH-CYBMUJFWSA-N	307.438	2.346	70	20	DEID	
C[C@H](SCCN1CCOCC1)C(=O)N(C)C1CCCCC1	159836778	HPNNPCOHOUSIET-AWEZNQCLSA-N	314.495	2.231	70	20	DEID	
CC(C)c1ccc(OCCNC(=O)c2cccc(=O)n2C)cc1	159717455	ZLRGUSIVJWYZJF-UHFFFAOYSA-N	314.385	2.318	70	20	DEID	
CCOCCN(C)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C	159957423	ACBSXNFOWNYYDS-RDJZCZTQSA-N	319.449	2.185	70	20	DEID	
C[C@@H](OC[C@H]1CCCO1)C(=O)N(C)CCOCc1ccccc1	159370514	RHVNGOKELDGTNS-NVXWUHKLSA-N	321.417	2.246	70	20	DEID	
CN1CCC[C@@H](CNC(=O)N2CCc3cccc(F)c3C2)C1	159787661	JLPRHJZGZXWTBV-ZDUSSCGKSA-N	305.397	2.235	70	20	DEID	
CC(=O)Nc1cccc(NC(=O)NCc2ccc(CO)cc2)c1	217300683	HAXGCHQLCSIXDA-UHFFFAOYSA-N	313.357	2.459	70	20	DEID	
CNC[C@H]1CCCN1C(=O)c1ccc(NC(=O)C(C)C)cc1	161307947	PRURYQYNRSFGLY-OAHLLOKOSA-N	303.406	2.105	70	20	DEID	
COCCNC(=O)N[C@@H](C)Cc1ccccc1Br	160163702	UNMSQPLIVQQZCE-JTQLQIEISA-N	315.211	2.326	70	20	DEID	
O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)c1cnc(C(F)(F)F)nc1	160580154	XVQQLXNLAYRZLG-GHMZBOCLSA-N	315.295	2.183	70	20	DEID	
O=C(N[C@H]1CCO[C@@H](C2CC2)C1)c1cnc(C(F)(F)F)nc1	160580284	XVQQLXNLAYRZLG-WDEREUQCSA-N	315.295	2.183	70	20	DEID	
CCOCCO[C@@H](C)C(=O)N[C@H]1CCOC2(CCCCC2)C1	160719671	AVCBGYPMAYZBBO-GJZGRUSLSA-N	313.438	2.426	70	20	DEID	
C[C@@H](NC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1)c1nc[nH]n1	160925032	YQPZTTCRZQQDPX-BNOWGMLFSA-N	315.377	2.085	70	20	DEID	
Cc1cc(N)nc(S[C@H]2CCCN(CC(F)(F)F)C2=O)n1	159422686	TUDRUXWPGJZEBX-QMMMGPOBSA-N	320.340	2.013	70	20	DEID	
CC(C)N1CCN(C(=O)Cc2c[nH]c3cc(F)ccc23)CC1	159890828	BHGYXUDBUUUYPG-UHFFFAOYSA-N	303.381	2.402	70	20	DEID	
O=C(Nc1ccc(F)cc1OC1CCCC1)C(=O)NC1CC1	159730963	HHAJCVYSOQEFJB-UHFFFAOYSA-N	306.337	2.364	70	20	DEID	
CCc1n[nH]c(=O)c(CNC(=O)N[C@H]2CCCC2(C)C)c1CC	159581003	ZZLJFRICNVUZDO-AWEZNQCLSA-N	320.437	2.273	70	20	DEID	
CCN(Cc1ccccc1)C(=O)N[C@@H]1CC(=O)N(C(C)C)C1	217288488	BGSHNOLNMALMKW-OAHLLOKOSA-N	303.406	2.227	70	20	DEID	
CCc1c(C(=O)Nc2ccc(S(=O)(=O)F)cc2)ccn1C	460089987	GHKIIQYJHGXGKY-UHFFFAOYSA-N	310.350	2.498	70	20	DEID	
CSC[C@H](C)C(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	857674208	FPWBXVCWRZMNNE-ZETCQYMHSA-N	309.359	2.422	70	20	DEID	
C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	857672700	HOFMGTXAFOHRPI-KOLCDFICSA-N	317.313	2.014	70	20	DEID	
C=CCOc1cccc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)c1	1515237843	XUCRXWKXVJJTHP-UHFFFAOYSA-N	324.333	2.490	70	20	DEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@@H](c2ccccc2)C1	1527564591	CJPWJXWAMNWADO-GFCCVEGCSA-N	322.361	2.303	70	20	DEID	
CCOC(=O)C[C@@H](C)CNc1nc(C(C)C)nc(N(C)C)n1	161021276	DBCZEYKLHUJPIV-LLVKDONJSA-N	309.414	2.062	70	20	DEID	
CC(C)C[C@@H](CO)NC(=O)c1cccc(Oc2cnccn2)c1	161080744	DXFNQIPTEBFVBS-AWEZNQCLSA-N	315.373	2.406	70	20	DEID	
CCOc1cccc2c1OCC(C(=O)N[C@H]1CCC[C@H](N)C1)=C2	161083535	YMGSHYIMMKQYKT-GJZGRUSLSA-N	316.401	2.247	70	20	DEID	
CC[C@@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1nccs1	161154393	FJOVEACVCMQSGE-BDAKNGLRSA-N	307.341	2.347	70	20	DEID	
CCCCN1CCCC[C@H]1CNC(=O)[C@@H]1CCN(C(=O)CC)C1	161182615	BGCDEXVIQUEIAV-CVEARBPZSA-N	323.481	2.016	70	20	DEID	
CCC(CC)(CN)C(=O)Nc1ccc(N2CCOC2=O)cc1	161190717	CGBFMQQGZGWMAP-UHFFFAOYSA-N	305.378	2.347	70	20	DEID	
Cc1cccc([C@H](NC(=O)[C@H]2CCC(=O)NC2)c2ccccn2)c1	160012018	SEIKDPSQRGZBIN-YJBOKZPZSA-N	323.396	2.122	70	20	DEID	
CC[C@@H](CC(=O)N[C@@H]1CCN(C(N)=O)C1)c1ccc(C)cc1	160016560	QEMZSCXRBFIHOZ-DZGCQCFKSA-N	303.406	2.148	70	20	DEID	
CC(C)COC(=O)N1CCN(C(=O)Nc2ccncc2)CC1	160025269	LRTNWRNVQJZBSW-UHFFFAOYSA-N	306.366	2.024	70	20	DEID	
CCN(CC)c1ccc(NC(=O)[C@@H]2CCn3ccnc3C2)cn1	160064421	DKYZANFNLMSMJN-CYBMUJFWSA-N	313.405	2.325	70	20	DEID	
CC[C@H](NC(=O)CCNC(=O)CC(C)C)c1c(C)noc1C	160417607	FFRXXZZBKIPKMO-ZDUSSCGKSA-N	309.410	2.411	70	20	DEID	
CS(=O)(=O)Cc1ccc(NC(=O)[C@H]2C[C@@H]2C2CC2)cc1F	160443852	MGTTWXQQSZXLGD-OLZOCXBDSA-N	311.378	2.355	70	20	DEID	
COc1ccc(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)nn1	160537625	KBBVLCMRQQKMNF-GFCCVEGCSA-N	305.378	2.097	70	20	DEID	
C[C@@H]1CC(NC(=O)Nc2ccc3c(c2)oc(=O)n3C)C[C@@H](C)O1	160541142	LWNKYADIADTWFD-NXEZZACHSA-N	319.361	2.209	70	20	DEID	
O=C(NC1Cc2ccccc2C1)c1cnc(C(F)(F)F)nc1	160545735	MMAXNFLHZNECOK-UHFFFAOYSA-N	307.275	2.393	70	20	DEID	
CCCOc1cccc(CC(=O)N2CCC[C@H]2C(=O)N(C)C)c1	160801477	RURWLMJDZXKRCL-INIZCTEOSA-N	318.417	2.097	70	20	DEID	
Cc1ccc(S(=O)(=O)Nc2nc(SC(C)C)n[nH]2)s1	160933784	JOFQHFRBXBXTNN-UHFFFAOYSA-N	318.449	2.476	70	20	DEID	
CC[C@H]1CCCC[C@H]1NC(=O)N(C)Cc1nc(CCOC)no1	160958864	SXPYKDIVSGHSKO-QWHCGFSZSA-N	324.425	2.369	70	20	DEID	
CCCCn1ncc(NC(=O)N[C@H](C)C(=O)NC(C)(C)C)c1C	159890488	PSMFSMVPOXIOJE-LLVKDONJSA-N	323.441	2.416	70	20	DEID	
Cc1nccc(NC(=O)N(C)CCNC(=O)C(C)C)c1Cl	159947858	HGOOEVWEIWARIJ-UHFFFAOYSA-N	312.801	2.279	70	20	DEID	
CNC(=O)[C@@H]1CCCN1C(=O)NCc1ccc(C)cc1SC	159766718	GZZAUPWZZIXYDK-ZDUSSCGKSA-N	321.446	2.137	70	20	DEID	
Cc1ccccc1CS(=O)(=O)NC[C@@H](O)C1CCCCC1	159572487	CNHDKTGOQLHOFD-MRXNPFEDSA-N	311.447	2.356	70	20	DEID	
Cc1ccc(S(=O)(=O)N(C)CCc2nccs2)c(F)c1	159653192	KWXQUBZYITVZAY-UHFFFAOYSA-N	314.407	2.454	70	20	DEID	
C[C@@H]1C[C@H](C(=O)Nc2ccc(S(=O)(=O)F)cc2)CCO1	274983468	QDSPVMVZWYVTRD-NXEZZACHSA-N	301.339	2.098	70	20	DEID	
CS[C@H]1CC[C@@H](N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1123621379	XKPQZECMEDCBCW-BDAKNGLRSA-N	320.411	2.029	70	20	DEID	
CCN(CC(F)(F)F)C(=O)c1cccc(S(=O)(=O)F)c1	1336413924	RQRBUTULPZRIMQ-UHFFFAOYSA-N	313.272	2.369	70	20	DEID	
Cc1cc(F)ccc1OC(=O)c1cc(S(=O)(=O)F)c[nH]1	1338399847	AWFGGIJERDOLCH-UHFFFAOYSA-N	301.270	2.340	70	20	DEID	
COC(=O)c1c(F)cccc1S(=O)(=O)Nc1cnccc1C	161015161	VUWFBKICVYTNRE-UHFFFAOYSA-N	324.333	2.117	70	20	DEID	
CS[C@H](C)CC(=O)NCC(=O)N1CCCc2ccccc21	161043884	HFCPKECGXZUROU-GFCCVEGCSA-N	306.431	2.224	70	20	DEID	
CCC(CC)(CN)C(=O)N(C)CC(=O)Nc1cccc(C)c1C	161167229	CPUSBCUXQFGXBU-UHFFFAOYSA-N	319.449	2.465	70	20	DEID	
CNC[C@@H]1CCCN1C(=O)CCc1ccc(OC(F)F)cc1	161309420	VSNVQABIBNIULI-ZDUSSCGKSA-N	312.360	2.431	70	20	DEID	
COCCOCCN(Cc1ccccc1)C(=O)c1cc[nH]c1	160229728	YCXUUIPVSAETDZ-UHFFFAOYSA-N	302.374	2.320	70	20	DEID	
C[C@H](O)CCN(C)C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1	160798656	SGUHKQFVKBUONO-IMJJTQAJSA-N	306.406	2.319	70	20	DEID	
CC(C)(C)S(=O)(=O)CC(=O)Nc1cccc(-n2ccnc2)c1	160832860	SCGUQYCCYNICNN-UHFFFAOYSA-N	321.402	2.024	70	20	DEID	
COc1cccc([C@H](C)N[C@@H](C)C(=O)NCC(F)(F)F)c1	159838420	UKRWFHDKJBAFPM-UWVGGRQHSA-N	304.312	2.413	70	20	DEID	
COc1cc(CNC(=O)N(CCN(C)C)C2CCCC2)ccn1	159877595	AUEUSSOPYFICBU-UHFFFAOYSA-N	320.437	2.106	70	20	DEID	
C[C@@H]1CCN(C(=O)Nc2ccc(OCC(N)=O)cc2)C[C@@H](C)C1	159726557	JITDENOFLNMUQY-OLZOCXBDSA-N	319.405	2.451	70	20	DEID	
COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C	159547707	LRFJJUMQBWQXPR-PCTYZZJISA-N	324.808	2.474	70	20	DEID	
Clc1ccc(CN2CCN(CCn3ccnc3)CC2)s1	159549776	HQUVAHHYIBJIQC-UHFFFAOYSA-N	310.854	2.416	70	20	DEID	
C[C@H]1CC(NC(=O)NCc2nccn2C(F)F)C[C@H](C)O1	159789828	UJXNJYPFDKGOIC-IUCAKERBSA-N	302.325	2.033	70	20	DEID	
COc1ccccc1CCNC(=O)N1CCCC[C@H]1CCO	217341757	HYKMIWYDVVASLC-HNNXBMFYSA-N	306.406	2.184	70	20	DEID	
CCOC(=O)[C@@]1(CCS(=O)(=O)F)CCCCCCC1=O	883954388	LGYZOAJEBSTYEC-CYBMUJFWSA-N	308.371	2.149	70	20	DEID	
C[C@@H]1CN(C(=O)CCc2ccc(S(=O)(=O)F)cc2)C[C@@H]1C	1337255074	MSUBBAFONUWSBO-TXEJJXNPSA-N	313.394	2.392	70	20	DEID	
O=S(=O)(F)c1ccc(N[C@@H](C2CC2)[C@@H]2CCCCO2)nc1	1550628505	ITTAMLTWMGNVIF-JSGCOSHPSA-N	314.382	2.499	70	20	DEID	
CC1(C)CC2(CO1)CC(Nc1ccc(S(=O)(=O)F)cn1)C2	1551207540	ZLSNUHLGTGJFQS-UHFFFAOYSA-N	314.382	2.499	70	20	DEID	
Cc1noc([C@@H]2COCCN2CCOC2CCCCCC2)n1	161044191	RQNUPINKOXNVNQ-HNNXBMFYSA-N	309.410	2.491	70	20	DEID	
COc1ccc(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)cc1N	161044271	XVMODNARXRQAMW-NSHDSACASA-N	317.389	2.007	70	20	DEID	
C[C@H]1CCC[C@@H](NC(=O)CCCNC(=O)c2cccnc2)C1	161054569	RCFPMJLNLRYBRD-DZGCQCFKSA-N	303.406	2.287	70	20	DEID	
O=C(CNc1cccc(F)c1)N1CC[C@@H](Oc2cccnc2)C1	161467765	LFXPFNDCYCHVBC-MRXNPFEDSA-N	315.348	2.313	70	20	DEID	
O=C(NC[C@@H](O)CN1CCCCC1)c1csc2c1CCCC2	160128558	HUHRZCSXABLCPB-CYBMUJFWSA-N	322.474	2.204	70	20	DEID	
C[C@@H](NC(=O)c1cccc(-n2ccnn2)c1)c1cccc(O)c1	160261457	GLKJLOCUYJBKHX-GFCCVEGCSA-N	308.341	2.464	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)c1ccc(N(CC)C(C)C)nc1	160321308	BBYQMMVPZAECLW-ZDUSSCGKSA-N	321.421	2.388	70	20	DEID	
NC(=O)[C@H]1CCCN1Cc1c[nH]nc1-c1ccc(Cl)cc1	160329213	SGALIKLWVAHMJH-CYBMUJFWSA-N	304.781	2.180	70	20	DEID	
CCN1CC[C@@H](CNC(=O)C2(c3ccc(C)c(OC)c3)CC2)C1	160348904	BUCQZEZXUREJJD-HNNXBMFYSA-N	316.445	2.493	70	20	DEID	
CCN(CC)CCNC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1	160351658	MJUYRTJOYPKVCD-MRXNPFEDSA-N	321.421	2.318	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)Cc1cccc(OC(C)C)c1	160413976	UGIPKPNDRBYQGP-ZDUSSCGKSA-N	307.390	2.474	70	20	DEID	
C[C@H](Cn1cc(Br)cn1)NC[C@H]1CCCC[C@@H]1O	160548475	FRFPZVSWGFASKR-WZRBSPASSA-N	316.243	2.175	70	20	DEID	
CSCC[C@@H](N)C(=O)N[C@H](C)c1cccc(-n2cccn2)c1	160575752	IEPWNAHLRQHTNQ-IUODEOHRSA-N	318.446	2.130	70	20	DEID	
CCc1cc(O)nc(CN(C)CCOc2ccccc2F)n1	160591753	GDCVXIIKXTUFLT-UHFFFAOYSA-N	305.353	2.395	70	20	DEID	
CCc1nc2n(n1)C[C@H](NC(=O)[C@@H](C)c1ccsc1)CC2	160707217	WNNPKDNMLXKACD-CMPLNLGQSA-N	304.419	2.137	70	20	DEID	
C[C@@H]1C[C@@H](CN)CN1C(=O)c1ccc(OC(F)(F)F)cc1	159424500	UAFLDJPJFYVHSC-ZJUUUORDSA-N	302.296	2.395	70	20	DEID	
Cc1cc(N[C@@H](C)C(=O)N2CCc3sccc3C2)nn1C	159611957	WLEZPRSTMYEFGL-NSHDSACASA-N	304.419	2.175	70	20	DEID	
CCC(CC)(CNCC(=O)NCc1cccc(C)c1)C(=O)OC	159668092	BKMRKJCKJWDIMS-UHFFFAOYSA-N	320.433	2.180	70	20	DEID	
CN(C[C@H]1CCC[C@@H]1O)C(=O)NC1CCN(C(C)(C)C)CC1	159739001	CDZLCWRMYOXMQW-HIFRSBDPSA-N	311.470	2.052	70	20	DEID	
CCN1CCCN(C(=O)NC[C@@H]2CCCO[C@@H]2C(C)C)CC1	159950716	GBMALENYLNCNDC-JKSUJKDBSA-N	311.470	2.175	70	20	DEID	
Cc1nn2cccnc2c1C(=O)NCCc1cc2ccccc2[nH]1	159578974	WQZILOKEIFIVIB-UHFFFAOYSA-N	319.368	2.492	70	20	DEID	
Cc1cc(Cl)ccc1S(=O)(=O)NCC1(CO)CCCC1	160340947	GADRPIDGHATRCO-UHFFFAOYSA-N	317.838	2.479	70	20	DEID	
Cc1ccc(NC(=O)CC[C@@H]2CCOC2)cc1S(=O)(=O)F	857675078	AIKMBGIAUUOUIZ-LLVKDONJSA-N	315.366	2.408	70	20	DEID	
O=[N+]([O-])c1ccc(S[C@@H]2CCOC2)c(CS(=O)(=O)F)c1	882255120	YLJRSSGJZHURJJ-SNVBAGLBSA-N	321.351	2.275	70	20	DEID	
CC(C)Sc1ccccc1NC(=O)C(=O)NC[C@@H]1CCCO1	161018502	WOQQSENCLPJCEF-LBPRGKRZSA-N	322.430	2.421	70	20	DEID	
C[C@@H](c1ccco1)N(C)C(=O)CCCNC(=O)c1cccnc1	161132791	DSAGBMWGJNUERC-ZDUSSCGKSA-N	315.373	2.404	70	20	DEID	
CCC(CC)(CN)C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1	161239581	GXLOAYNGTOTSFZ-UHFFFAOYSA-N	309.385	2.231	70	20	DEID	
CC(C)C[C@H](CO)NC(=O)CCCc1nc2ccccc2[nH]1	161252468	ANKUVSVBSBNQDP-CYBMUJFWSA-N	303.406	2.409	70	20	DEID	
Cc1ccc(NC(=O)NCCCN(C)CC(F)(F)F)cn1	161505249	WASNCWIBAFGGCM-UHFFFAOYSA-N	304.316	2.396	70	20	DEID	
CCCn1nccc1CNc1ccccc1SCC(N)=O	160051748	LWZYEDRHSXAWJY-UHFFFAOYSA-N	304.419	2.483	70	20	DEID	
O=C(NCC1(C2CC2)CC1)N[C@@H]1CCN(C(=O)C2CCCC2)C1	160499417	GGTMFEBNDBDTFR-OAHLLOKOSA-N	319.449	2.267	70	20	DEID	
O=C1CC[C@H]2CN(C(=O)c3cccc(Cl)c3F)CC[C@@H]2N1	160558288	IQNJYKAEIGEWTE-CABZTGNLSA-N	310.756	2.220	70	20	DEID	
CCCNC(=O)CCNC(=O)c1cnn(C(CC)CC)c1C	160705368	BZTUHYYEFGTBOR-UHFFFAOYSA-N	308.426	2.199	70	20	DEID	
Cc1nc(CC(=O)N2CCC[C@@H](n3cccn3)C2)c(C)s1	160728957	FFAVKVZXSOLCIY-CYBMUJFWSA-N	304.419	2.363	70	20	DEID	
CCCNC(=O)CCC(=O)N[C@H](C)CC(=O)c1cccs1	160849132	QDSVKRWTGJDCOH-LLVKDONJSA-N	310.419	2.132	70	20	DEID	
COc1cc(C)cc(CNC(=O)NOCc2cccnc2)c1	160874133	XYKIOYLBKJBQCW-UHFFFAOYSA-N	301.346	2.330	70	20	DEID	
Cc1cccc(CC(=O)N(C)CC(C)(C)CN2CCOCC2)c1	159814792	GEKUQKFQAPFOHV-UHFFFAOYSA-N	318.461	2.354	70	20	DEID	
Cc1cccc(NC(=O)C(=O)NC[C@H]2CCN(CC(C)C)C2)c1	159445546	SBYFUWCJRWFSMN-OAHLLOKOSA-N	317.433	2.028	70	20	DEID	
CC(=O)N1CC[C@@H](NC(=O)CC23CC4CC(CC(C4)C2)C3)C1	159459900	GMMSIECOGGJXMT-QFQXCOSMSA-N	304.434	2.330	70	20	DEID	
CCc1ccc(OC(=O)CCCNC(=O)C2CC2)c(OC)c1	159723573	JVVUAASOQUXJJZ-UHFFFAOYSA-N	305.374	2.469	70	20	DEID	
COc1ccc(C(=O)N(C)CC(C)(C)CN2CCOCC2)cc1	159771392	VXCMDWHOPYMUOZ-UHFFFAOYSA-N	320.433	2.126	70	20	DEID	
COC(=O)c1ccc(NC(=O)N2CCC[C@H]2C[C@H](C)O)cc1	159983057	XBDBZSNMPKCYTC-FZMZJTMJSA-N	306.362	2.240	70	20	DEID	
Cc1cccc(CSCC(=O)NCCSCCCO)c1	161440829	ZIDRWQUANOBVRT-UHFFFAOYSA-N	313.488	2.460	70	20	DEID	
CCCCN1CCCC[C@H]1CNC(=O)c1cc(OC)ccn1	217222249	PPIGOGLGRXBDMD-AWEZNQCLSA-N	305.422	2.475	70	20	DEID	
CO[C@@H]1CCC[C@@H](C(=O)Nc2cccc(S(=O)(=O)F)c2)C1	460093727	OSQQCOYCDSBSKU-ZYHUDNBSSA-N	315.366	2.489	70	20	DEID	
CC1(C)CC[C@H](OC(=O)c2ccc(S(=O)(=O)F)cc2)C1=O	840580790	PAQOPVNWSYYRGN-NSHDSACASA-N	314.334	2.259	70	20	DEID	
CO[C@@H]1CC[C@H](OC(=O)c2cccc(S(=O)(=O)F)c2)C1	1349679012	NPUSZYKPNAWUJX-MNOVXSKESA-N	302.323	2.069	70	20	DEID	
COCCC1(C(=O)NCCN2c3ccccc3C[C@@H]2C)CC1	161059434	RWFOQTDCDRTDAH-AWEZNQCLSA-N	302.418	2.371	70	20	DEID	
CC(=O)NC1CCC(NCCN(C)Cc2ccccc2)CC1	161347482	SDBXFZDLJUSCJY-UHFFFAOYSA-N	303.450	2.155	70	20	DEID	
CC(C)[C@@H](O)CCNC(=O)Nc1ccc(-c2ncn(C)n2)cc1	161351151	FLLMTQSXJQGUFZ-AWEZNQCLSA-N	317.393	2.011	70	20	DEID	
C[C@H](NCC1(CO)CCCC1)c1ccc(S(C)(=O)=O)cc1	160117540	VNQJZFVLSCGQNX-ZDUSSCGKSA-N	311.447	2.293	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)c1cnn(CC(C)C)c1C1CC1	160110722	FRIFTTXHWKZFQA-GFCCVEGCSA-N	321.421	2.488	70	20	DEID	
C[C@H](CO)CNC(=O)C(C)(C)c1ccc(Br)cc1	160436042	WBGRSBOKPWPEBX-JTQLQIEISA-N	314.223	2.471	70	20	DEID	
COC(=O)CN(C(=O)Cc1n[nH]c2ccccc12)C1CCCC1	160814053	ZEELWRIPIHYVTR-UHFFFAOYSA-N	315.373	2.050	70	20	DEID	
COC[C@H](NC(=O)NCCOc1ccccc1Cl)C1CC1	160939379	KFGGDCJRGGTZHZ-ZDUSSCGKSA-N	312.797	2.443	70	20	DEID	
CCCN(CC)CCNC(=O)NCC(C)(C)[C@H](O)C(C)C	159413352	HLTLSHPGBQEEDN-CQSZACIVSA-N	301.475	2.061	70	20	DEID	
CN(CC1CCN(CCn2ccnc2)CC1)C(=O)OC(C)(C)C	159810580	RCDTVIODHAOBAU-UHFFFAOYSA-N	322.453	2.462	70	20	DEID	
C[S@](=O)c1ccc(CN[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1	159650093	GXSOZDYJUMBCKE-VCAMNPENSA-N	305.443	2.471	70	20	DEID	
Cc1onc(-c2ccncc2)c1C(=O)N(C)[C@@H]1CCCN(C)C1	159911190	CPSCBTLTKSFAAO-CQSZACIVSA-N	314.389	2.211	70	20	DEID	
Cc1cc(NC(=O)[C@H]2CCCN2Cc2ccccc2)c[nH]c1=O	159771029	VWRHWKCWYLMOEW-MRXNPFEDSA-N	311.385	2.286	70	20	DEID	
Cc1cc(C(=O)NCCNC(=O)OC(C)(C)C)cc(Cl)n1	160351764	AWRDDAZPTVQHMY-UHFFFAOYSA-N	313.785	2.298	70	20	DEID	
N#Cc1cccc(CNC(=O)c2cccc(S(=O)(=O)F)c2)c1	1120785219	RFUYNNAWOQQNME-UHFFFAOYSA-N	318.329	2.146	70	20	DEID	
CSCC[C@@H](N)C(=O)Nc1cnn(-c2ccccc2F)c1	161074934	OZGMRJWPHPLSEY-GFCCVEGCSA-N	308.382	2.030	70	20	DEID	
CCC(=O)N1CC[C@@H](NC(=O)[C@@H](CC)c2ccc(F)cc2)C1	161140732	APQGQCLGPWMCGP-CABCVRRESA-N	306.381	2.446	70	20	DEID	
COCc1nc2n(n1)C[C@H](NC(=O)C1CCC(C)(C)CC1)CC2	161183600	FNMZNKPYBQMWOG-CYBMUJFWSA-N	320.437	2.072	70	20	DEID	
C[C@@H](NC(=O)CN1CCC(C)(O)CC1)c1ccccc1Cl	161203410	ITKMXUATAQWLEZ-GFCCVEGCSA-N	310.825	2.364	70	20	DEID	
C[C@@H]1CCCC[C@@H]1OCCNC(=O)[C@@H]1CCn2ccnc2C1	160018688	VEDFHQFPYIYUCD-KFWWJZLASA-N	305.422	2.157	70	20	DEID	
COCc1ccc(S(=O)(=O)CCc2c(C)noc2C)cc1	160018838	ARZIYLYGKPSACC-UHFFFAOYSA-N	309.387	2.454	70	20	DEID	
COc1ccc([C@H](C)NCCN2CCC(N(C)C)CC2)cc1	160260293	RIWIQNFHDGISIW-HNNXBMFYSA-N	305.466	2.372	70	20	DEID	
COc1ccc([C@@H](C)CCNC(=O)C2(OC)CCNCC2)cc1	160555067	KJOPRCVOIXCEON-AWEZNQCLSA-N	320.433	2.074	70	20	DEID	
COC(=O)c1csc(NC(=O)N[C@H]2CCC[C@@]2(C)CO)c1	160722533	LAXXZCXBQRQMBD-HZMBPMFUSA-N	312.391	2.207	70	20	DEID	
CCOC(=O)CCc1ccc(NC(=O)N[C@@H](C)CCO)cc1	159627111	QIQUTTDLQGHQKA-LBPRGKRZSA-N	308.378	2.075	70	20	DEID	
CCN(CCS(C)(=O)=O)C(=O)Nc1ccc(F)cc1Cl	159903594	BGENPPKWTUEDNF-UHFFFAOYSA-N	322.789	2.378	70	20	DEID	
C[C@H](c1ccccc1F)N1CCC(N2CCC[C@@H]2C(N)=O)CC1	159364860	MOKTWHRIDXRAAF-CXAGYDPISA-N	319.424	2.301	70	20	DEID	
COC(=O)N(C)CCCC(=O)Nc1nc2c(s1)CCCC2	216884423	JRYCYJIXSDYCHG-UHFFFAOYSA-N	311.407	2.439	70	20	DEID	
CN(CCCF)C(=O)CCc1ccc(S(=O)(=O)F)cc1	1338244287	UTGLGKWGCXHVNK-UHFFFAOYSA-N	305.346	2.095	70	20	DEID	
CCCN(CC(F)F)C(=O)c1cccc(S(=O)(=O)F)c1	1340088991	WIWHNVQEJFINGB-UHFFFAOYSA-N	309.309	2.462	70	20	DEID	
CCC[C@H](C)[C@H](CC)NCc1ccc(C(=O)NCC(N)=O)cc1	161001652	YZJODEWTJZBZJU-BBRMVZONSA-N	319.449	2.206	70	20	DEID	
CCNC(=O)C(C)(C)CNc1nc2ccccc2cc1CO	161351184	HLEQIYZWYWQAJE-UHFFFAOYSA-N	301.390	2.301	70	20	DEID	
CCCCCc1nnc(NC(=O)c2cccc(=O)n2C)s1	160753228	BAEXBZAVQKKGSZ-UHFFFAOYSA-N	306.391	2.222	70	20	DEID	
CC(=O)NC[C@@H]1CCCN(C(=O)Nc2ccnc(C)c2Cl)C1	159600724	FJMUAKGBIHZJHZ-LBPRGKRZSA-N	324.812	2.423	70	20	DEID	
CC[C@@H]1CN(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)C[C@@H](C)O1	159802539	MJKOSTKAOFEABM-BXKDBHETSA-N	308.378	2.058	70	20	DEID	
CC(=O)N1CC[C@H](NC(=O)c2sc(C)nc2CC(C)C)C1	159663381	ZMYQCJUSUOMZOM-LBPRGKRZSA-N	309.435	2.001	70	20	DEID	
NC(=O)[C@H]1CCCCN1C(=O)c1cccc(Cl)c1Cl	159861319	DDLIKYDJVFXVFK-SNVBAGLBSA-N	301.173	2.473	70	20	DEID	
CCN1CCCN(C(=O)N[C@H](CCN(C)C)C(C)(C)C)CC1	159871806	SBSSCAPAHZNOQK-OAHLLOKOSA-N	312.502	2.090	70	20	DEID	
CC(=O)N[C@@H](C)C(=O)Nc1cc(Cc2ccccc2)ccc1O	159872464	NXCDTJFXZQDAHG-LBPRGKRZSA-N	312.369	2.446	70	20	DEID	
COC(=O)CN(C(=O)c1cc(C)c(F)c(C)c1)C1CCOCC1	159701271	FCDLITUJRBEVLF-UHFFFAOYSA-N	323.364	2.237	70	20	DEID	
CS[C@H](CO)[C@H](C)NC(=O)Nc1ccnc(C)c1Cl	159740003	RGUNPJRJGFEFAQ-OIBJUYFYSA-N	303.815	2.277	70	20	DEID	
O=C(Nc1cccc(S(=O)(=O)F)c1)c1ccc2cncn2c1	460094476	PWJNHTBEHSHXBO-UHFFFAOYSA-N	319.317	2.245	70	20	DEID	
CO[C@H](C)[C@H](C)NC(=O)c1cc(S(=O)(=O)F)ccc1Cl	1340669014	OXAUPUQWROYRON-JGVFFNPUSA-N	323.773	2.151	70	20	DEID	
C[C@H]1C[C@@H](NCc2ccccc2N2CCOCC2)[C@H](C)CN1C	161461927	MJYRRKQAOGLEDN-SOLBZPMBSA-N	317.477	2.342	70	20	DEID	
CC(C)c1cc(CNC(=O)N2CCN(C)C[C@H]2C(C)C)on1	160000542	VUDYDGJTDMZBOY-HNNXBMFYSA-N	308.426	2.280	70	20	DEID	
COCCOCCN(Cc1ccccc1)C(=O)c1cscn1	160200031	AZRHEKBRCMJETM-UHFFFAOYSA-N	320.414	2.449	70	20	DEID	
COc1ccc([C@H](C)N[C@H]2CCc3nc(C)nn3C2)c(F)c1	160328956	BLKKNMCVRXUURX-JQWIXIFHSA-N	304.369	2.400	70	20	DEID	
CN(C)C(=O)c1cc(NC(=O)N(CC2CC2)CC2CC2)ccn1	160562639	VSEVJSMJUOLFGW-UHFFFAOYSA-N	316.405	2.437	70	20	DEID	
COc1ccc([C@H](C)NCC(C)(C)O)cc1Cn1cccn1	160639578	UAXIIKDKUXLLPA-ZDUSSCGKSA-N	303.406	2.362	70	20	DEID	
COc1ccc(Cl)cc1NC(=O)CN(C)Cc1c[nH]nc1C	160945669	JEGJCBKSZAFTBT-UHFFFAOYSA-N	322.796	2.451	70	20	DEID	
Cc1nc(CC(=O)N[C@H](C)c2nnc3ccccn23)c(C)s1	159809759	RNQLOAOWXBHYQF-SECBINFHSA-N	315.402	2.223	70	20	DEID	
CN(C)C(=O)c1ccc(CNC(=O)N2CCC3(CCC3)C2)cc1	159822711	BPSSSMCCVATROB-UHFFFAOYSA-N	315.417	2.474	70	20	DEID	
CCC1(CNC(=O)N2CCC[C@@H]2C(=O)NC2CC2)CCCC1	159905891	ZPYXZMPIRQVXOJ-CQSZACIVSA-N	307.438	2.409	70	20	DEID	
CCS(=O)(=O)c1ccc([C@@H](C)N[C@H]2CCCC[C@@H]2O)cc1	159513474	FLDJLUXUHNNYNZ-KCXAZCMYSA-N	311.447	2.434	70	20	DEID	
CCn1c(S[C@@H](C)C(=O)N(C)C)nc2ccc(F)cc2c1=O	159548167	MJWFFZJSGNFGCM-VIFPVBQESA-N	323.393	2.124	70	20	DEID	
C[C@@H](CC(=O)c1cccs1)NC(=O)CCc1cnn(C)c1	161026697	WKYXZIPVCCZPIW-NSHDSACASA-N	305.403	2.192	70	20	DEID	
COCC1CCN(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1	161044816	JBHGGVFKVJRELQ-ZNMIVQPWSA-N	308.422	2.012	70	20	DEID	
Cc1ccc(C(=O)Cn2c(-c3cccnc3)noc2=O)c(C)c1	161266812	BLMJBFIAGQPISB-UHFFFAOYSA-N	309.325	2.398	70	20	DEID	
C[C@@H](C(=O)N[C@H]1CCN(c2ccccn2)C1)N1CCCCCC1	161358197	HLLNKROKOCFZDD-HOTGVXAUSA-N	316.449	2.041	70	20	DEID	
CO[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1cccc2ccccc12	160024012	CREJDILLPLHAHY-HZPDHXFCSA-N	312.369	2.462	70	20	DEID	
CC(C)OC1CCC(NC(=O)CS(=O)(=O)C(C)(C)C)CC1	160039592	PDOOFEUOOFJHIB-UHFFFAOYSA-N	319.467	2.052	70	20	DEID	
CC(C)(C)[C@H](CC1CCCCC1)NC(=O)C[C@@H]1NC(=O)NC1=O	160101039	WXNLESWPMDKENI-STQMWFEESA-N	323.437	2.086	70	20	DEID	
CCOC(=O)c1cnc(N[C@H]2CCO[C@@H](C3CC3)C2)nc1C	160273654	MNHKYHVAQZUBLE-GXTWGEPZSA-N	305.378	2.331	70	20	DEID	
Cc1ccc(NC(=O)C(=O)N[C@@H]2C[C@@H]3C[C@@H]2[C@H]2CCC[C@H]32)cn1	160332464	GYAXUSOIKMBHFY-PJGLDBICSA-N	313.401	2.269	70	20	DEID	
Cc1occc1C(=O)NC1CCN(CCOCC2CC2)CC1	160386853	QIGCSFKXVOUWPG-UHFFFAOYSA-N	306.406	2.209	70	20	DEID	
CCC(N)(CC)CNC(=O)CCOCc1ccc(OC)cc1	160463489	SEIMSGMWKIORPB-UHFFFAOYSA-N	308.422	2.236	70	20	DEID	
CCN(CC(=O)Nc1cccc(OC)c1)Cc1csnn1	160650111	YXJRZZKGDRPAIY-UHFFFAOYSA-N	306.391	2.007	70	20	DEID	
O=C(CCC(=O)NC1CCCC1)Nc1nc2ccccc2[nH]1	160651150	WMGJYKZCEAQIAU-UHFFFAOYSA-N	300.362	2.340	70	20	DEID	
Cc1ccccc1C(=O)NC1CCN([C@H]2CCCC[C@H]2O)CC1	160692169	HDNZEOJQIJEPJB-ZWKOTPCHSA-N	316.445	2.493	70	20	DEID	
NC(=O)CC1CCN(C(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)CC1	160874385	VWFACGNMORDSEP-TZMCWYRMSA-N	322.355	2.182	70	20	DEID	
CC(=O)N(Cc1ccc(NC(=O)[C@H]2CSCN2)cc1)C(C)C	160954060	XOIOATFJFCDLGK-OAHLLOKOSA-N	321.446	2.045	70	20	DEID	
CCc1nc2c(s1)[C@H](N(C)C(=O)[C@@H](C)NC(C)=O)CCC2	160992668	RQXKELKWTWEONZ-BXKDBHETSA-N	309.435	2.066	70	20	DEID	
COC(=O)[C@@H](C)CS[C@H]1CCCN(CC(F)(F)F)C1=O	159814426	GCOKFSABQMZVEY-IUCAKERBSA-N	313.341	2.082	70	20	DEID	
CNC(=O)Cn1cc(NC(=O)C[C@H]2CCCCC2(C)C)cn1	159426981	CFHAJWKPNHCECU-GFCCVEGCSA-N	306.410	2.174	70	20	DEID	
CCC[C@@H](N)C(=O)Nc1ccc(OCCCC(=O)OC)cc1	159830452	ZKASNBVQFLFBFO-CQSZACIVSA-N	308.378	2.085	70	20	DEID	
NC(=O)c1ccc(C(=O)NCCc2cc3ccccc3[nH]2)s1	159648775	IEXYPYVPGXEAFW-UHFFFAOYSA-N	313.382	2.301	70	20	DEID	
CC[C@]1(C)C[C@@H]1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1	159522504	LOCLAESIGPCXQZ-ZHALLVOQSA-N	316.445	2.440	70	20	DEID	
C[C@H](SCCN1CCOCC1)C(=O)N[C@@H](C)c1ccccc1	159930089	GDXPKOJKRASSBG-GJZGRUSLSA-N	322.474	2.318	70	20	DEID	
CCN1CCCN(C(=O)NCC2(c3ccccc3)CC2)CC1	159572198	CHVQJHQHWXODNC-UHFFFAOYSA-N	301.434	2.455	70	20	DEID	
CC(=O)Nc1nc(C(=O)N[C@@H]2CCOC3(CCCC3)C2)cs1	159972653	VOMOWACOXMGANP-LLVKDONJSA-N	323.418	2.323	70	20	DEID	
COC[C@@H](O)CCNC(=O)CSCc1ccc(Cl)cc1	161494928	YSNDFLJFIIEAQB-ZDUSSCGKSA-N	317.838	2.087	70	20	DEID	
O=C(NCCc1cccc(F)c1)NCc1ccc(CO)cc1	217448817	VNVJNCWNVZDDBJ-UHFFFAOYSA-N	302.349	2.360	70	20	DEID	
COc1cc2c(cc1CNC[C@@](C)(O)CSC)O[C@H](C)C2	217847814	ZMXOSJNIQCRNOL-BDJLRTHQSA-N	311.447	2.222	70	20	DEID	
Cc1nnc(CNC(C)(C)CN(C)Cc2ccccc2)n1C	161052173	QSTFUGOEBWYNIQ-UHFFFAOYSA-N	301.438	2.124	70	20	DEID	
O=C(NCC1CCSCC1)c1cccc(S(=O)(=O)F)c1	1348707724	PNRDRCKEUNBRNW-UHFFFAOYSA-N	317.407	2.218	70	20	DEID	
CCCOc1ccc(Cl)cc1C(=O)NCC[C@H](O)COC	161159433	AEDXBJXWQFYECB-LBPRGKRZSA-N	315.797	2.256	70	20	DEID	
COC[C@H](O)CCNC(=O)CCc1ccc2ccccc2c1	161231129	VDIUZTMHAKTBOO-QGZVFWFLSA-N	301.386	2.286	70	20	DEID	
COC[C@@H](O)CCNC(=O)C1(c2cccs2)CCCCC1	161245647	ASEBVDTXOYSYKD-ZDUSSCGKSA-N	311.447	2.464	70	20	DEID	
COc1ccccc1CN(CCO)CCCN1CCCCC1	161325547	KNDJYSCHJPYDRQ-UHFFFAOYSA-N	306.450	2.366	70	20	DEID	
CC(=O)Nc1ccc(O)c(C(=O)N2CC[C@@H](OCC(C)C)C2)c1	161503935	BOAAIXLEOJMGHV-CQSZACIVSA-N	320.389	2.238	70	20	DEID	
CC[C@@H](CNC(=O)C(=O)Nc1nocc1C)c1ccccc1	160062036	CIVFTSSXTZROFU-LBPRGKRZSA-N	301.346	2.232	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)Cc1cccc2cccnc12	160338220	VCYPDHYQAZIHKX-GFCCVEGCSA-N	300.358	2.235	70	20	DEID	
CCCNC(=O)c1cccc(CN[C@@H](C)c2cnn(C)c2)c1	160596986	RMUKRTVJCSMUPU-ZDUSSCGKSA-N	300.406	2.411	70	20	DEID	
CS[C@@H](C)CNC(=O)NCc1cccc2c1OCCCO2	160787074	WKNLUDCCAAGQKB-NSHDSACASA-N	310.419	2.399	70	20	DEID	
Cc1nc(CCNC(=O)c2cnc3c(c2)ncn3C)sc1C	160840602	WPMYIFVQVVNCHO-UHFFFAOYSA-N	315.402	2.014	70	20	DEID	
N[C@@H]1CCC[C@@H](NC(=O)CCc2nc(-c3cccs3)no2)C1	160898912	HCHWDCKBKPXSOV-GHMZBOCLSA-N	320.418	2.117	70	20	DEID	
COC[C@@H]1CCCN(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1	160993807	WRICACDJHTXNKJ-BARDWOONSA-N	308.422	2.012	70	20	DEID	
CCN(CC)C(=O)c1ccc(NC(=O)N[C@@]2(C)CCOC2)cc1	159664251	DTKZOHCVRHFLFB-KRWDZBQOSA-N	319.405	2.469	70	20	DEID	
O=C(CN1CCO[C@@]2(CCc3ccccc32)C1)N1CCCCC1	159675131	ULLBJLQKHBXQER-IBGZPJMESA-N	314.429	2.173	70	20	DEID	
C[C@@]1(CNC(=O)c2ncn(-c3ccccc3)n2)CCCS1	159912095	FDNQHEBZZNIBJT-HNNXBMFYSA-N	302.403	2.283	70	20	DEID	
C[C@H]1CCN(S(=O)(=O)c2cn(C)c(Cl)n2)C[C@H](C)C1	159727053	UMMFRFSFJLEPKH-VHSXEESVSA-N	305.831	2.130	70	20	DEID	
CC[C@H](NC(=O)C1(OC)CCNCC1)c1ccc(F)cc1F	159730682	RGSCNVRCVCINAD-AWEZNQCLSA-N	312.360	2.301	70	20	DEID	
CCn1c(C)nnc1S[C@@H]1CCCN(CC(F)(F)F)C1=O	159591019	GMVQJHFHBZJTDU-SECBINFHSA-N	322.356	2.252	70	20	DEID	
C=CCOCCCC(=O)Nc1ccc(S(=O)(=O)F)cc1	122998187	DEMNVILGDYNTOT-UHFFFAOYSA-N	301.339	2.266	70	20	DEID	
COc1cccc(C(=O)Nc2cccc(S(=O)(=O)F)c2)n1	809280644	BTWKXYRMBHJDSN-UHFFFAOYSA-N	310.306	2.001	70	20	DEID	
CC(C)(C)[C@](C)(C#N)NC(=O)c1ccc(S(=O)(=O)F)cc1	889865841	BMZIWAATHMPEFW-AWEZNQCLSA-N	312.366	2.403	70	20	DEID	
O=C(Nc1cc(Cl)ccc1O)c1cc(S(=O)(=O)F)c[nH]1	1521207567	ZUWBPAUBEVIBAZ-UHFFFAOYSA-N	318.713	2.284	70	20	DEID	
CCn1cc(NC(=O)N(C)OCc2ccccc2)ccc1=O	161406115	QFSFJCKMTIMSKL-UHFFFAOYSA-N	301.346	2.464	70	20	DEID	
CC[C@](C)(O)CN1CCC(CCN2C[C@H](C)O[C@H](C)C2)CC1	161449825	AOUHDEPWAWATNL-JZXOWHBKSA-N	312.498	2.359	70	20	DEID	
CCC(=O)N1CCCC[C@H]1C(=O)N(C)c1ccc2c(c1)OCO2	160103056	FMGYWCDKJGLNDX-ZDUSSCGKSA-N	318.373	2.169	70	20	DEID	
Cc1nc(-c2cccc(NC(=O)[C@H]3CCn4ccnc4C3)c2)n[nH]1	160146056	XOTZTSMACKNSGI-ZDUSSCGKSA-N	322.372	2.178	70	20	DEID	
C[C@H](NCc1ccccc1CN1CCOCC1)c1cnccn1	160460684	IPLQEHKZIHFXJI-HNNXBMFYSA-N	312.417	2.160	70	20	DEID	
COC(=O)[C@H]1Cc2ccccc2CN1CCCN1CCCCC1	160472930	CWDNHYDRDMPJQC-GOSISDBHSA-N	316.445	2.462	70	20	DEID	
CC(C)[C@H](CCO)NC(=O)CC[C@@H]1Cc2ccccc2NC1=O	160505489	AMJKSFITIWWDQJ-CABCVRRESA-N	318.417	2.101	70	20	DEID	
COc1cccc(COCCNC(=O)N(C[C@@H](C)O)C(C)C)c1	160571686	TWWOCENXFXOWJG-CQSZACIVSA-N	324.421	2.013	70	20	DEID	
CCn1ccnc1CN1CCN(c2ccccc2OC)CC1	160669201	QXQQSNPJPPMITF-UHFFFAOYSA-N	300.406	2.234	70	20	DEID	
COc1ccc(-n2ccnc2SCc2nncn2C)cc1	160994713	YNAGCABLZRLRDV-UHFFFAOYSA-N	301.375	2.302	70	20	DEID	
CCc1nc(CN2CCN(CCOCC3CC3)CC2)cs1	159607867	CQMBRTPKDWXXOH-UHFFFAOYSA-N	309.479	2.250	70	20	DEID	
CN(C)C(=O)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1	159817744	YHJRYCRNAXPKQI-CYBMUJFWSA-N	321.446	2.026	70	20	DEID	
CCC(CC)(CC)CNC(=O)N1CCN(C(=O)N(C)C)CC1	159655511	XFMWUWXTGWLANE-UHFFFAOYSA-N	312.458	2.212	70	20	DEID	
O=C(N[C@H](CN1CCOCC1)c1ccccc1)C1=CCCC1	159720875	DAAKFPDNFKSIOA-QGZVFWFLSA-N	300.402	2.286	70	20	DEID	
Cc1ccc(S(N)(=O)=O)c(C(=O)Nc2cscc2C)c1	159555501	VDUJMSXSQIAQRN-UHFFFAOYSA-N	310.400	2.265	70	20	DEID	
CN1CCC[C@@H](CNC[C@@H](O)COc2ccc(Cl)cc2)C1	217575181	JCXNPFYZHMUVTF-DZGCQCFKSA-N	312.841	2.011	70	20	DEID	
C[C@@H](c1ccco1)N(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1346040546	JCHPADADDBSVQE-QMMMGPOBSA-N	300.311	2.099	70	20	DEID	
O=C(Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1)[C@H]1CCCNC1	161040951	NFYOQILUMSTLND-JQFCIGGWSA-N	318.417	2.307	70	20	DEID	
O=C1CCCc2cc(NC(=O)[C@@H]3CCn4ccnc4C3)ccc2N1	161387985	NCDUGQXYGFFYOO-CYBMUJFWSA-N	324.384	2.359	70	20	DEID	
CC[C@@H](C(=O)N[C@@H](C)CS(=O)(=O)CC)c1ccc(F)cc1	160011073	IVHLRTXAHDYENH-SMDDNHRTSA-N	315.410	2.259	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)CCc1c(C)noc1Cl	160078287	PTTUTPIRLJAUQY-QMMMGPOBSA-N	302.758	2.027	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)[C@@H]1CCCN1Cc1ccccc1	160101538	QDGXVLNOCSBKOB-ZBFHGGJFSA-N	318.417	2.109	70	20	DEID	
O=S(=O)(c1cccs1)N1CCC[C@@H](N2CCCC2)CC1	160175357	IBHRYANNAXNOII-CYBMUJFWSA-N	314.476	2.387	70	20	DEID	
CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)Nc2c(C)n[nH]c2C)C1	160370354	ZJZZCJYUNSCIET-MFKMUULPSA-N	306.410	2.250	70	20	DEID	
C[C@@H](O)[C@H]1CCCN(C(=O)Nc2ccn(CC(F)(F)F)n2)C1	160648694	BJAQZLWKGQHCSE-ZJUUUORDSA-N	320.315	2.070	70	20	DEID	
N[C@H]1CCC[C@@H](NC(=O)C2(c3cccc(F)c3)CCOCC2)C1	160860100	ASCVTBWIPZOORK-JKSUJKDBSA-N	320.408	2.260	70	20	DEID	
CCOC(=O)CN(C)CC(=O)N1CCc2sccc2[C@H]1CC	159494870	PEMZWYRECSAHRO-CYBMUJFWSA-N	324.446	2.079	70	20	DEID	
COC(=O)c1nccc2c(S(=O)(=O)NC(C)(C)C)cccc12	159975689	NJCLHNCMHDNUFV-UHFFFAOYSA-N	322.386	2.098	70	20	DEID	
CN(C(=O)Cc1ccc(C(F)(F)F)cc1)[C@H](CN)C1CC1	159786615	AWSBMRFPMYEYNO-CYBMUJFWSA-N	300.324	2.444	70	20	DEID	
COCC1(CC(=O)Nc2cccc(S(=O)(=O)F)c2)CC1	460098057	YWCOCYDKBCYVHX-UHFFFAOYSA-N	301.339	2.100	70	20	DEID	
O=C(Nc1nccn1C1CC1)c1ccc(S(=O)(=O)F)cc1	864244390	UWNROBDXUBCIGY-UHFFFAOYSA-N	309.322	2.129	70	20	DEID	
C=CCN(C(=O)c1cccc(S(=O)(=O)F)c1)[C@H](C)COC	1121185778	WYJFNINKASGKRQ-LLVKDONJSA-N	315.366	2.008	70	20	DEID	
O=C(/C=C/c1nccs1)Nc1ccc(S(=O)(=O)F)cc1	1262730692	HXJFIMYDCRJIEC-AATRIKPKSA-N	312.347	2.453	70	20	DEID	
O=C(N[C@H]1CCN(c2ccccn2)C1)c1ccc(Cl)cc1O	161212326	CPBMCXMZRDPVDQ-LBPRGKRZSA-N	317.776	2.449	70	20	DEID	
Cc1cc(C[C@H](C)NC(=O)c2cc(C(C)(C)C)nn2C)n[nH]1	161355782	MCKIENUVTJPJIB-JTQLQIEISA-N	303.410	2.110	70	20	DEID	
CCNC(=O)C(C)(C)CNc1cc(N2CCCCC2)ncn1	161365178	FKZDIFPGRHZOJD-UHFFFAOYSA-N	305.426	2.041	70	20	DEID	
C[C@@H](C(=O)NCC1CCN(CCN(C)C)CC1)c1ccsc1	160143646	SMCDAOWKDQEZGB-CQSZACIVSA-N	323.506	2.241	70	20	DEID	
C[C@@H](NCCN1CCC(N(C)C)CC1)c1ccc2c(c1)OCO2	160280803	NUTQMSJGUVXBGI-CQSZACIVSA-N	319.449	2.092	70	20	DEID	
Cc1conc1NC(=O)C(=O)N(C)[C@H](C)c1ccc(F)c(F)c1	160362235	SQSLTJGASZBPNJ-SECBINFHSA-N	323.299	2.419	70	20	DEID	
CC[C@H](C)CS(=O)(=O)N1CCN(C)c2cc(F)ccc21	160906175	QVKQJVUGGCKLJN-NSHDSACASA-N	300.399	2.458	70	20	DEID	
CN(CCc1ccncc1)C(=O)N[C@H]1[C@H]2CCO[C@@H]2C12CCC2	160937188	LBWUJTQBWMOBES-PMPSAXMXSA-N	315.417	2.223	70	20	DEID	
Cc1[nH]nc2ncc(C(=O)N[C@@H]3CCOC4(CCCC4)C3)cc12	159604816	CMOJKHVYFVUZIV-CYBMUJFWSA-N	314.389	2.488	70	20	DEID	
O=C(NCCc1cscn1)N[C@H](CCO)C1CCCCC1	159605149	IGXHZTSKYLQZPV-CQSZACIVSA-N	311.451	2.316	70	20	DEID	
CC(C)CN(CC(N)=O)C(=O)COc1ccc2ccccc2c1	159812514	YWKAJVBPDRTUOS-UHFFFAOYSA-N	314.385	2.189	70	20	DEID	
COCCC1(C(=O)NC[C@]2(O)CCc3ccccc32)CCC1	159433931	OBYNVDHPBDWLIB-GOSISDBHSA-N	303.402	2.143	70	20	DEID	
C[C@@H]1CCCC[C@H]1NC(=O)CCCNC(=O)c1cccnc1	159637443	WPTMJUHDAQJTJQ-UKRRQHHQSA-N	303.406	2.287	70	20	DEID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N=S1(=O)CCCC1	1338973522	CHFFXGLSKTXCAE-UHFFFAOYSA-N	319.379	2.055	70	20	DEID	
CN(CC1CCN(C(=O)C(C)(C)C)CC1)C[C@@H]1CCC[C@@H]1O	161032460	RLJLYXNMQIXFHF-HOTGVXAUSA-N	310.482	2.364	70	20	DEID	
CC(C)OC(=O)c1ccn(CC(=O)Nc2ccccc2)c(=O)c1	161051215	BWWMYYNHQPLZJF-UHFFFAOYSA-N	314.341	2.052	70	20	DEID	
CC(=O)NC1CCC(Nc2cccc(C(=O)NC3CC3)c2)CC1	161074293	RMSRQRFLSBOIHQ-UHFFFAOYSA-N	315.417	2.438	70	20	DEID	
CCCN(CC1=Cc2ccccc2OC1)[C@@H]1CCS(=O)(=O)C1	161096801	VLDAFTSDNHZMAK-MRXNPFEDSA-N	321.442	2.362	70	20	DEID	
CC(=O)NC1CCC(NCCOc2ccc(F)c(F)c2)CC1	161451181	OFCBLDVLEVOTRB-UHFFFAOYSA-N	312.360	2.381	70	20	DEID	
CC[C@H](N)C(=O)NCC1(c2cccc(Br)c2)CC1	160051661	GNWBPGOOCSAYKL-LBPRGKRZSA-N	311.223	2.334	70	20	DEID	
O=C(NC[C@@H](O)CN1CCCCC1)c1cc2c(s1)CCCC2	160194812	RXIRLJWMMBXQIC-CQSZACIVSA-N	322.474	2.204	70	20	DEID	
CCO[C@@H](C)c1nc(CC(=O)N2C[C@@H]3CCC[C@H](C2)N3)cs1	160389901	XGSXJAPYISDOHR-RWMBFGLXSA-N	323.462	2.136	70	20	DEID	
O=C1CCCC[C@H]1[C@H]1COCCN1C(=O)c1ccnc(Cl)c1	160618234	RGAIGHIYWTYUAJ-QWHCGFSZSA-N	322.792	2.335	70	20	DEID	
COc1cccc(N2CCN(Cc3cnc4cnccn34)CC2)c1	160684698	AEPWCMQCWNKIRN-UHFFFAOYSA-N	323.400	2.060	70	20	DEID	
Cc1cc(NC(=O)CNC(=O)c2cc(F)cc(F)c2)ccc1O	160692875	JIDHDRVAJYNRQE-UHFFFAOYSA-N	320.295	2.347	70	20	DEID	
CCO[C@@H](C)c1nc(CC(=O)N[C@H](CO)CC(C)C)cs1	160899344	YOEDFGQNYDQNMS-RYUDHWBXSA-N	314.451	2.306	70	20	DEID	
C[C@@H]1CC[C@@H](NC(=O)c2cc(C(N)=O)cn2C)c2ccccc21	159609849	DYNSXHIPXIPBCG-IAQYHMDHSA-N	311.385	2.492	70	20	DEID	
O=C(CCCc1nc(C2CC2)no1)NCCN1CCCCCC1	159653902	UGXJZHAFYCBLSI-UHFFFAOYSA-N	320.437	2.262	70	20	DEID	
CN([C@@H](CN)C1CC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1	159912148	MHAMUXIUPXWSTO-LBPRGKRZSA-N	322.352	2.063	70	20	DEID	
Cc1cc(Br)ccc1CNC(=O)N[C@@H](C)CCO	159581526	OFDNDAXCUWQFAC-JTQLQIEISA-N	315.211	2.328	70	20	DEID	
Cc1ccc(F)cc1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1354031830	LEPWXUGUCJGJCW-UHFFFAOYSA-N	300.286	2.373	70	20	DEID	
C[C@H]1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)F)c(F)c2)CCO1	857674584	MBNTUAOJSLRLFL-IUCAKERBSA-N	319.329	2.238	70	20	DEID	
CCNCC1CCN(C(=O)CCn2cnc3ccccc32)CC1	161035603	JDVVHGXKDPHBSB-UHFFFAOYSA-N	314.433	2.275	70	20	DEID	
Cc1cccc(NC(=O)C(=O)N[C@H](C)C2CCOCC2)c1C	161081503	RACBMHMPTUAKHU-CYBMUJFWSA-N	304.390	2.173	70	20	DEID	
C[C@@H]1CCCC[C@H]1CNC(=O)c1ccc2[nH]c(=O)n(C)c2c1	161178320	OIQRSQHBJGPFLD-YPMHNXCESA-N	301.390	2.423	70	20	DEID	
C[C@@]1(NC(=O)Nc2ccc(CN3CCCC3=O)cc2)CCOC1	161201176	JDDCQXKQVYNKOP-QGZVFWFLSA-N	317.389	2.110	70	20	DEID	
CCCn1c(C)nnc1CN1CCN(c2cccs2)CC1	161223686	TUARUGQXYGGAER-UHFFFAOYSA-N	305.451	2.380	70	20	DEID	
COc1ccc(NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)cc1N	161372565	HONJSFHOIRFGSC-INIZCTEOSA-N	321.421	2.403	70	20	DEID	
COc1ccnc(NC(=O)c2ccc(OCC(F)F)nc2)c1	161409121	KAUDYNUQMZYJOV-UHFFFAOYSA-N	309.272	2.381	70	20	DEID	
COC(=O)C[C@H](NC(=O)[C@@H](C)N)c1ccc(C(C)(C)C)cc1	161431483	KDKCVQTWVCKQRO-RISCZKNCSA-N	306.406	2.052	70	20	DEID	
C[C@@H](O)CN(C)C(=O)Cc1ccc(OCc2ccccn2)cc1	160094363	TVPFKASYZIUDKH-CQSZACIVSA-N	314.385	2.042	70	20	DEID	
O=C(NCc1ccccn1)NCc1cccnc1OCC(F)F	160687646	MSEMUXQPKRLYAD-UHFFFAOYSA-N	322.315	2.120	70	20	DEID	
O=C(Nc1cccc(F)n1)[C@@H]1CCCCN1C(=O)c1ccco1	160751074	ZJDNVTFFJBEDKQ-NSHDSACASA-N	317.320	2.447	70	20	DEID	
Cc1csc(C(C)(C)NC(=O)N[C@H]2CCN(CC3CC3)C2)n1	160770899	NXHNBYXRKSSVRJ-ZDUSSCGKSA-N	322.478	2.470	70	20	DEID	
COC(=O)NCc1ccc(NC(=O)[C@@H]2CCC(=O)C[C@@H]2C)cc1	160846828	DZWAGZHQMRAUGR-XHDPSFHLSA-N	318.373	2.486	70	20	DEID	
COCCN(CC(C)C)C(=O)N[C@@H]1CCN(C2CCCC2)C1	160905157	SLPVDEXBZWOTPI-OAHLLOKOSA-N	311.470	2.317	70	20	DEID	
Cc1nc(COc2ccc(NC(=O)[C@H]3CCCCN3)cc2)no1	159474295	FIHUFHUHZJXFAA-CQSZACIVSA-N	316.361	2.038	70	20	DEID	
CNC(=O)CCNC(=O)Nc1cccc(N2CCC(C)CC2)c1	159709718	QMMULIUFSCKPBB-UHFFFAOYSA-N	318.421	2.181	70	20	DEID	
C[C@H](NCCCN1CCCC1=O)c1ccc([S@@](C)=O)cc1	159539125	HMRKYRDIOHIHHD-ZSEKCTLFSA-N	308.447	2.087	70	20	DEID	
Cc1ccccc1[C@H](C)NCC1CCN(S(C)(=O)=O)CC1	159370427	CZKZXXGLTFETMM-AWEZNQCLSA-N	310.463	2.317	70	20	DEID	
C[C@H]1CCSCCN1C(=O)c1ccc(S(=O)(=O)F)cc1	865210155	UYPVLGDRJZDXBL-JTQLQIEISA-N	317.407	2.312	70	20	DEID	
CCO[C@H](C)C(=O)N1CCN(Cc2ccccc2Cl)CC1	161322415	OJGLHSPCGCWFQJ-CYBMUJFWSA-N	310.825	2.409	70	20	DEID	
C[C@H](C(=O)N[C@@H]1CCN(c2ccccn2)C1)N1CCCCCC1	161358069	HLLNKROKOCFZDD-HZPDHXFCSA-N	316.449	2.041	70	20	DEID	
C[C@@H](NC1CCN(C)CC1)c1cccc(OCCN(C)C)c1	161451818	LWSNPQAPWLDGFQ-OAHLLOKOSA-N	305.466	2.372	70	20	DEID	
CCOCCNC(=O)N1CCN(c2ccc(C)c(C)c2)CC1	160129621	YCQXMKRDYZYQDD-UHFFFAOYSA-N	305.422	2.172	70	20	DEID	
COC(=O)c1cc(NC(=O)NCc2nc(C)no2)cc(C)c1C	160245493	XFMSOZNAUCBWAB-UHFFFAOYSA-N	318.333	2.103	70	20	DEID	
CC(C)n1cc([C@@H](C)NCCN2CCC(N(C)C)CC2)cn1	160269817	ROUJHBVXJLGICQ-OAHLLOKOSA-N	307.486	2.141	70	20	DEID	
CCC(O)(CC)CNC(=O)NCCOCc1cccc(OC)c1	160631900	DYWPZPHUCXSWQH-UHFFFAOYSA-N	324.421	2.062	70	20	DEID	
C[C@@](O)(CNC(=O)NCCc1nccs1)c1ccc(F)cc1	160820023	HDDDXEQGEOQSDN-OAHLLOKOSA-N	323.393	2.032	70	20	DEID	
COc1cc2c(c(CN3C[C@H](C(N)=O)CC[C@@H]3C)c1)O[C@H](C)C2	159515876	GTSYRTOTAZUTQS-YNEHKIRRSA-N	318.417	2.104	70	20	DEID	
CC(=O)N1CC[C@@H](NC(=O)[C@@H](C)Sc2ccc(C)cc2)C1	159779115	BSCBBBYTFUICAI-TZMCWYRMSA-N	306.431	2.213	70	20	DEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC2(CCCC2)C1	1120944658	UGVVXNNHILITNT-UHFFFAOYSA-N	300.355	2.079	70	20	DEID	
Cc1ccc(CSc2ncn(CCS(=O)(=O)F)n2)cc1	883953194	LJSYXHUDXDGIHW-UHFFFAOYSA-N	315.395	2.178	70	20	DEID	
Cc1cc(CNC(=O)c2cccc(S(=O)(=O)F)c2)cc(C)n1	1121185784	XBBLHJNKHFOFNU-UHFFFAOYSA-N	322.361	2.287	70	20	DEID	
CNC(=O)COc1cccc(CC(=O)N[C@H]2CCC[C@@H](C)C2)c1	161052658	XNCHJPDNSYTECY-HIFRSBDPSA-N	318.417	2.049	70	20	DEID	
CCc1cccc(NC(=O)C(=O)N[C@H](C)C2CCOCC2)c1	161063995	VLQSHBCCGWNWHP-GFCCVEGCSA-N	304.390	2.119	70	20	DEID	
C[C@H]1C[C@@H](NCC(=O)Nc2ccc(Cl)cc2)CN1C1CC1	161111661	QYIAIFVQBHWEIR-SMDDNHRTSA-N	307.825	2.493	70	20	DEID	
CC[C@@H](NC(=O)[C@@H]1CCn2ccnc2C1)c1nc(C)cs1	161440708	DFGOZKNQLIPKTR-VXGBXAGGSA-N	304.419	2.478	70	20	DEID	
COCCN(Cc1ncc(-c2ccccc2)s1)[C@H](C)C(N)=O	160031969	ZVCSXMOYOVMYPA-GFCCVEGCSA-N	319.430	2.132	70	20	DEID	
NC(=O)NCCC(=O)NCCc1ccc(-c2ccccc2)cc1	160223756	VQOLNRVPTCRMMX-UHFFFAOYSA-N	311.385	2.071	70	20	DEID	
CC(=O)N(C)c1ccc(NC(=O)N2CCC[C@](C)(O)C2)cc1	160490379	XJHSOHARPDRQLM-INIZCTEOSA-N	305.378	2.048	70	20	DEID	
COc1ccc(Cl)c(S(=O)(=O)Nc2nncs2)c1	160559410	YVSDDKBFNOGUHX-UHFFFAOYSA-N	305.768	2.001	70	20	DEID	
COCc1cccc(NC(=O)NCCCNC(=O)C(C)C)c1	160581432	LWISENOGLVCVPC-UHFFFAOYSA-N	307.394	2.117	70	20	DEID	
CC(C)C[C@H](CO)NC(=O)CSc1nc2ccccc2[nH]1	160978012	IXGGRMXURGUSKX-LLVKDONJSA-N	307.419	2.178	70	20	DEID	
C[C@@H](CCO)NC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1	159873392	PJNBMRLRRHKLCH-KBPBESRZSA-N	307.438	2.186	70	20	DEID	
CC(C)CC(=O)NCCC(=O)N1CCO[C@@H](c2ccccc2)C1	159688258	QEDLPOLSIZDTPD-MRXNPFEDSA-N	318.417	2.139	70	20	DEID	
COc1ccc(N(C)C(=O)[C@@H]2CCCN2C(=O)C2CC2)cc1F	159492581	OCAINPTYGMRIAN-AWEZNQCLSA-N	320.364	2.198	70	20	DEID	
CC(C)c1nccn1CCC(=O)N[C@@H]1c2ccccc2C[C@H]1O	159893036	SILGJOPDMBYHLL-NVXWUHKLSA-N	313.401	2.171	70	20	DEID	
CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H]1CCCCO1	159918214	HVLSWKKGAGFRGB-HNNXBMFYSA-N	304.390	2.215	70	20	DEID	
O=C(NC[C@@H]1Cc2ccccc2O1)c1cccc(-c2ncn[nH]2)c1	159994286	QDAIQOYCHJTADV-HNNXBMFYSA-N	320.352	2.205	70	20	DEID	
O=C(Nc1cncc2ccccc12)c1cc(S(=O)(=O)F)c[nH]1	1337520033	NWDOHNGZORURRJ-UHFFFAOYSA-N	319.317	2.473	70	20	DEID	
CCC[C@](C)(CO)NC(=O)Nc1ccc(-c2ncn(C)n2)cc1	161076230	KRWZPAPSFZKXOT-MRXNPFEDSA-N	317.393	2.155	70	20	DEID	
CCN(Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1nc(C)c(C)s1	161121772	FDQLPVJLFVZLFC-NSHDSACASA-N	321.450	2.343	70	20	DEID	
CC(C)NC(=O)c1ccc(C(=O)N(C)Cc2ccccn2)cc1	161171636	PSOAMDTWNLNKBM-UHFFFAOYSA-N	311.385	2.492	70	20	DEID	
CNC(=O)c1ccc(NC(=O)N[C@H]2CCO[C@@H](C3CC3)C2)cc1	161395811	MLTVCMPPOHPJMW-LSDHHAIUSA-N	317.389	2.125	70	20	DEID	
CCc1c(C(=O)NC[C@H]2CCCN2CC)cnn1CC(C)C	160332044	FOXOGUZXTNWROD-CQSZACIVSA-N	306.454	2.316	70	20	DEID	
CCCN(CC1CC1)C(=O)CCCNC(=O)c1cccnc1	160680447	OWPCPGZYGBXCDO-UHFFFAOYSA-N	303.406	2.240	70	20	DEID	
CCCn1c(C)nnc1CN1CCC(OC[C@H]2CCCO2)CC1	160905425	RVMIWXLBNQSYHC-MRXNPFEDSA-N	322.453	2.157	70	20	DEID	
CSCC[C@H](N)C(=O)NC[C@H](O)c1ccc(C(C)(C)C)cc1	160971124	OGIIBEAWMQPSGI-GJZGRUSLSA-N	324.490	2.214	70	20	DEID	
C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCc2c(F)cccc2C1	160972132	YJBQHPRQJXUDMW-JSGCOSHPSA-N	307.365	2.295	70	20	DEID	
NC(=O)NC1(C(=O)N(Cc2ccc(Cl)cc2)C2CC2)CC1	159422667	NOSXBRNAZUEVKH-UHFFFAOYSA-N	307.781	2.032	70	20	DEID	
CCc1onc(C)c1NC(=O)Nc1ccnn1C[C@H]1CCOC1	159715431	JWUZVMJGENHQSH-LLVKDONJSA-N	319.365	2.422	70	20	DEID	
CCC[C@@H](N)C(=O)N(C)[C@H]1CCN(c2ccccc2Cl)C1=O	159747031	GGOJZYNJVUGMCF-OCCSQVGLSA-N	323.824	2.031	70	20	DEID	
CC(C)CSCCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1338401190	UMUBAHZHHFGOGR-UHFFFAOYSA-N	322.427	2.182	70	20	DEID	
C#CC(C)(C)NC(=O)c1cc(S(=O)(=O)F)ccc1Cl	1349078206	UMGJIEQHLXLNPT-UHFFFAOYSA-N	303.742	2.140	70	20	DEID	
Cc1ccc([C@H](CNC(=O)N2CCC[C@@](C)(O)C2)N(C)C)cc1	161209554	UFZQLECTXLYODU-FUHWJXTLSA-N	319.449	2.154	70	20	DEID	
CN(Cc1ccccc1)CC(C)(C)NC(=O)c1ccnn1C	161241723	TYCHRLHOFGXHRB-UHFFFAOYSA-N	300.406	2.061	70	20	DEID	
CCOC(=O)CCN(Cc1cccnc1)C(=O)[C@@H]1CC1(C)C	161321192	CEAUYSSXLONCFH-AWEZNQCLSA-N	304.390	2.410	70	20	DEID	
Cc1ccc(C)c(-n2ncc(C(=O)NCCn3ccnc3)c2C)c1	160023464	PDQCVWUTUOTUDY-UHFFFAOYSA-N	323.400	2.424	70	20	DEID	
CCOCCCN1CCN(C(=O)Cc2ccccc2C)CC1	160029575	OAOIREKPXXZFLO-UHFFFAOYSA-N	304.434	2.108	70	20	DEID	
O=C1CC[C@@H]2CN(C(=O)c3ccc(F)cc3Cl)CC[C@H]2N1	160560630	AJCDWTMENCBJBT-NOZJJQNGSA-N	310.756	2.220	70	20	DEID	
COC[C@H](C)NC(=O)NC[C@@H](C)COc1ccccc1OC	160570603	FBHXLNTYLZKVHI-OLZOCXBDSA-N	310.394	2.044	70	20	DEID	
COCCCOC1CCN(Cc2cnc3ccccn23)CC1	160588537	WVFQUSDCCYAQDR-UHFFFAOYSA-N	303.406	2.352	70	20	DEID	
CCOc1cc(F)ccc1NC(=O)CS(=O)(=O)C(C)(C)C	160934848	PHWGLUDGMHXWCU-UHFFFAOYSA-N	317.382	2.376	70	20	DEID	
CCCOc1cccc(NC(=O)N2C[C@H](CO)OC[C@H]2C)c1	159421263	MGWPKJKRRUVUIF-IUODEOHRSA-N	308.378	2.089	70	20	DEID	
CCc1nc(CN2CCN(C(=O)CCC(C)(C)C)CC2)no1	159462167	HIAWDMUQMULICX-UHFFFAOYSA-N	308.426	2.103	70	20	DEID	
CCOC(=O)CCCS(=O)(=O)N1CC[C@H](C)C[C@H](C)C1	159692816	SSLGPXBPBVTXIJ-STQMWFEESA-N	305.440	2.028	70	20	DEID	
CCC[C@@H]1C(=O)NCCN1C(=O)Nc1cccc(OCC)c1	159561411	ZNMDBHKFZUCDDH-CQSZACIVSA-N	305.378	2.218	70	20	DEID	
Cc1cc(C)cc(NC(=O)NCC2CCS(=O)(=O)CC2)c1	159398015	JUZFURQLCVHRQR-UHFFFAOYSA-N	310.419	2.250	70	20	DEID	
CS[C@@H](CO)[C@@H](C)NC(=O)c1cc(Cl)c(N)c(Cl)c1	159648617	GMJZWMFMLVTYDE-LDWIPMOCSA-N	323.245	2.418	70	20	DEID	
CCCCCS(=O)(=O)N1CCN(Cc2ccccc2)CC1	217140674	PNIUYLPPFYYHKR-UHFFFAOYSA-N	310.463	2.324	70	20	DEID	
Cc1ccc(CCNC(=O)c2ccc(S(=O)(=O)F)cc2)nc1	864243278	BSDDBFMPAUPGIV-UHFFFAOYSA-N	322.361	2.021	70	20	DEID	
CC(C)[C@@H](C)N(C)C(=O)Cc1ccc(S(=O)(=O)F)cc1	1336659631	CLRRDYYJKBMFHE-LLVKDONJSA-N	301.383	2.390	70	20	DEID	
CC(C)(N)CCC(=O)Nc1ccc(F)c(CS(=O)(=O)F)c1	1575347445	UIGZVDKFXUTVDL-UHFFFAOYSA-N	320.361	2.081	70	20	DEID	
CCC(CC)(CN)C(=O)N[C@@H]1C[C@H](C)N(c2ccccc2)C1=O	161246198	GOXCMJWDYHNADG-DZGCQCFKSA-N	317.433	2.062	70	20	DEID	
COCc1ccc([C@@H]2CCCN2C(=O)CCCNC(=O)OC)o1	161264580	NYMCGKMEQJEEEZ-ZDUSSCGKSA-N	324.377	2.226	70	20	DEID	
O=C(NC[C@@H](O)CN1CCCCC1)[C@H]1CCCc2sccc21	160029291	SNLIXYIGTQDCLE-HIFRSBDPSA-N	322.474	2.131	70	20	DEID	
O=S(=O)(Nc1ccn(CC(F)(F)F)n1)c1ccc(F)cc1	160262263	JEFLXDBKUOYCTA-UHFFFAOYSA-N	323.271	2.385	70	20	DEID	
CC(=O)Nc1cccc([C@H](C)N[C@@H]2CCc3nc(C)nn3C2)c1	160295828	BHJKOZXCIHRDBR-MEDUHNTESA-N	313.405	2.211	70	20	DEID	
CC(C)c1ccc(CN2CCN(Cc3nncn3C)CC2)cc1	160697485	PSVQQLULRBIXEA-UHFFFAOYSA-N	313.449	2.256	70	20	DEID	
CCCC(=O)N1CCC(C(=O)N(C)Cc2cccn2C)CC1	160705748	QPDKBXQIFJFYCQ-UHFFFAOYSA-N	305.422	2.022	70	20	DEID	
C[C@H](CC(=O)c1cccs1)NC(=O)CCNC(=O)C(C)(C)C	160753894	YDMURMBFLZWSCM-LLVKDONJSA-N	324.446	2.378	70	20	DEID	
CN(Cc1cccn1C)C(=O)[C@@H]1CCCN1C(=O)CC(C)(C)C	160991161	WCPURLARXGOYBC-HNNXBMFYSA-N	319.449	2.411	70	20	DEID	
COCCOc1cc(C)ccc1NC(=O)N1CCC[C@](C)(O)C1	159440726	DUCHVHAFGGMOGW-KRWDZBQOSA-N	322.405	2.399	70	20	DEID	
Cc1c(NC(=O)C(=O)NCc2ccco2)cnn1-c1ccccc1	159903139	YWSLINHTDCELHU-UHFFFAOYSA-N	324.340	2.029	70	20	DEID	
CCc1nc(CN(CC(=O)OC)[C@@H](CC)c2ccccc2)n[nH]1	159389476	LWMNESURUDWUQY-AWEZNQCLSA-N	316.405	2.493	70	20	DEID	
C[C@H](NC(=O)c1ccoc1)C(=O)N[C@H]1CCOC2(CCCC2)C1	159974400	LQBVOWGGWGVCKE-JSGCOSHPSA-N	320.389	2.006	70	20	DEID	
Cc1ccc(NC(=O)[C@@H]2CO[C@@H](C)C2)cc1S(=O)(=O)F	857675104	BCSCOTAMIBBBKL-UWVGGRQHSA-N	301.339	2.017	70	20	DEID	
COCCC1(CNC(=O)NCC2(CCO)CCCCC2)CC1	161049101	MIHCEBQGPSWEQH-UHFFFAOYSA-N	312.454	2.435	70	20	DEID	
CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)[C@@H]1CSCN1	161056058	DEBNNHRYGNWJAZ-TVYUQYBPSA-N	314.838	2.195	70	20	DEID	
C[C@@H](CNC(=O)NCc1ccccc1CO)CN1CCCCC1	161117267	SZQSUNAKFPMTGI-HNNXBMFYSA-N	319.449	2.100	70	20	DEID	
CC(C)C[C@@H](CO)NC(=O)CCCc1nc(C(C)(C)C)no1	161136721	MLMLQZFOJZJOMR-LBPRGKRZSA-N	311.426	2.213	70	20	DEID	
N[C@H]1CC[C@@H](C(=O)N2CC[C@H](COCc3ccccc3)C2)C1	161323443	JOYIZHUQZNVUOT-BBWFWOEESA-N	302.418	2.179	70	20	DEID	
Cc1cscc1C(=O)N(C)CC(C)(C)CN1CCOCC1	160301138	CZACFLSLIAOUOQ-UHFFFAOYSA-N	310.463	2.487	70	20	DEID	
Cc1nn(C)c(C)c1OCC(=O)N(C)c1cc(F)ccc1F	160305179	CQPFIBOOERWCJF-UHFFFAOYSA-N	309.316	2.357	70	20	DEID	
Cn1ccnc1[C@H](NC(=O)[C@H]1CCCCO1)c1cccc(F)c1	160319289	OAPQKVUZSMCRMS-HUUCEWRRSA-N	317.364	2.334	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)Cc1cc(Cl)ccc1OC	160334672	HSMWOHFNDDNTNE-SNVBAGLBSA-N	313.781	2.349	70	20	DEID	
COc1c(CNC(=O)Nc2ccc(Cl)cn2)c(C)nn1C	160339554	NWHCPKSTFOSCAV-UHFFFAOYSA-N	309.757	2.107	70	20	DEID	
C[C@@H]1CN(C[C@@H]2CCCN2c2ncc(Cl)cn2)C[C@@H](C)O1	160466854	YFYCWGYXDCWMMF-BZPMIXESSA-N	310.829	2.208	70	20	DEID	
CCCOc1cccc(CC(=O)NCCCn2ccnc2)c1	160527941	RHMXOJPUSQPGKQ-UHFFFAOYSA-N	301.390	2.421	70	20	DEID	
CC(C)(O)CNS(=O)(=O)Cc1c(Cl)cccc1Cl	160991496	SRKOJLXCWFJIRR-UHFFFAOYSA-N	312.218	2.184	70	20	DEID	
COc1ccsc1C(=O)NC[C@@]1(O)CCc2ccccc21	159410149	XRBVGUIPZZYHNM-INIZCTEOSA-N	303.383	2.321	70	20	DEID	
C[C@H]1CCN(C(=O)Nc2ccccc2OCCC(N)=O)C[C@@H]1C	159500081	XCOBQEYPCDXIGA-STQMWFEESA-N	319.405	2.451	70	20	DEID	
CN(C)CCN(C(=O)NC1CCN(C2CC2)CC1)C1CCCC1	159730863	UZMDDBFGDPYJLU-UHFFFAOYSA-N	322.497	2.129	70	20	DEID	
CCOc1ccc(Cl)cc1CCNC(=O)CCn1cncn1	159367862	SJZJEEAOFVJEAZ-UHFFFAOYSA-N	322.796	2.079	70	20	DEID	
CCc1ccc(/C=C/C(=O)N(C)[C@H](C)CS(=O)(=O)CC)o1	159996615	JIVJFIIYHALGKN-BZYZDCJZSA-N	313.419	2.137	70	20	DEID	
O=C(CC[C@H]1CCOC1)Nc1ccc(S(=O)(=O)F)cc1	123076552	KVXVPYQCVNZZKY-JTQLQIEISA-N	301.339	2.100	70	20	DEID	
C[C@]1(C(=O)Nc2ccc(S(=O)(=O)F)c(F)c2)CCCCO1	857672947	NMZDLAAULYNXOI-CYBMUJFWSA-N	319.329	2.382	70	20	DEID	
CSCCCN(C)C(=O)c1ccc(S(=O)(=O)F)cc1	865210326	ATVBQAJVIQMJAY-UHFFFAOYSA-N	305.396	2.170	70	20	DEID	
N#CC1(NC(=O)Cc2ccc(S(=O)(=O)F)cc2)CCCCC1	1120921457	XDYLYBLMYSBMBF-UHFFFAOYSA-N	324.377	2.230	70	20	DEID	
O=C(OC1CCC(F)(F)CC1)c1cc(S(=O)(=O)F)c[nH]1	1337492345	OPKCEANGYNRPHR-UHFFFAOYSA-N	311.281	2.408	70	20	DEID	
Cc1cccc2c1CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)CC2	1337486136	KQMXNVJJKANEMX-UHFFFAOYSA-N	322.361	2.180	70	20	DEID	
C[C@H](CCO)CNC(=O)CCCOc1ccc(F)cc1F	161065343	XMRYEQNRJAQJTG-LLVKDONJSA-N	301.333	2.259	70	20	DEID	
Cn1nc(C2CCCCC2)cc1NC(=O)C[C@@H]1COC(=O)C1	161421758	XACYNFNYAFXOQQ-NSHDSACASA-N	305.378	2.360	70	20	DEID	
C[C@@H](NC(=O)[C@@H]1CCCCO1)c1ccc(-n2cncn2)cc1	160152096	UMHMCHQZNKZFHT-DOMZBBRYSA-N	300.362	2.014	70	20	DEID	
CCC(CC)(CO)CNC(=O)Nc1ccc(C(=O)N(C)C)cc1	160228019	ZBBUVIJTEKEWAF-UHFFFAOYSA-N	321.421	2.309	70	20	DEID	
COCCOCCN(Cc1ccccc1)C(=O)c1ccc[nH]1	160228077	HJXPQVYLPQQQNU-UHFFFAOYSA-N	302.374	2.320	70	20	DEID	
COC(=O)c1ccc(NC(=O)N2CCC[C@@H]([C@H](C)O)C2)cc1F	160419789	MUBPDFJHGCVFCN-WDEREUQCSA-N	324.352	2.237	70	20	DEID	
COc1ccc(N(C)C(=O)c2ccnc(OCC(F)F)c2)cn1	160439010	BZDSMGBOLJRYDP-UHFFFAOYSA-N	323.299	2.406	70	20	DEID	
CC(=O)Nc1cccc(C(=O)NC[C@H]2CCCN2CC(C)C)c1	160425743	RZZVAUOGWLBWAW-QGZVFWFLSA-N	317.433	2.495	70	20	DEID	
O=C(NC1CC1)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O	160659656	WXQLTPZGCPOGJQ-GFCCVEGCSA-N	311.744	2.046	70	20	DEID	
C[C@@H](C(=O)N1CCC[C@H](N2CCCC2=O)C1)c1cccs1	159808417	CSQFEQKSDGSJII-OLZOCXBDSA-N	306.431	2.465	70	20	DEID	
Cc1cccc(OCCCC(=O)N2CC[C@]3(CCNC3)C2)c1	159388357	KQIHCBIUYGQWBJ-SFHVURJKSA-N	302.418	2.366	70	20	DEID	
CC(=O)N1CC[C@H](NC(=O)[C@H](C)Sc2ccc(C)cc2)C1	159779263	BSCBBBYTFUICAI-JSGCOSHPSA-N	306.431	2.213	70	20	DEID	
Cc1nn(C)c2ncc(NC(=O)NCCc3cscn3)cc12	159398935	UIQDPMBAOQLHBQ-UHFFFAOYSA-N	316.390	2.097	70	20	DEID	
CC1(OCC(=O)Nc2ccc(S(=O)(=O)F)c(F)c2)CCC1	857673972	AEFDGYWIAMEHKW-UHFFFAOYSA-N	319.329	2.382	70	20	DEID	
COc1c(Cl)cccc1NC(=O)N[C@@H]1CCc2ncnn2C1	161162926	AXOJJYSTGNAMKO-SECBINFHSA-N	321.768	2.077	70	20	DEID	
Cc1cc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)ncn1	161303582	MLRCHRIRFHVEAK-KRWDZBQOSA-N	310.401	2.352	70	20	DEID	
COC(=O)C[C@@H](NC(=O)[C@@H](C)N)c1ccc(C(C)(C)C)cc1	161431651	KDKCVQTWVCKQRO-BXUZGUMPSA-N	306.406	2.052	70	20	DEID	
CCCOc1c(Cl)cc(C(=O)N2CC(O)C2)cc1OCC	161450665	ULQCYSCATNNDTM-UHFFFAOYSA-N	313.781	2.344	70	20	DEID	
CC(C)CNC(=O)[C@H](C)Nc1ccc2oc(N(C)C)nc2c1	160076450	YFKPYFSXQRVYAJ-NSHDSACASA-N	304.394	2.466	70	20	DEID	
O=C(NCCn1cccc1)C(=O)Nc1cc(F)ccc1Cl	160247807	RWRYDLWUPSBLEB-UHFFFAOYSA-N	309.728	2.036	70	20	DEID	
CC(C)CCOCCNC(=O)c1cnc(C(F)(F)F)nc1	160348682	ZKEZGTNJFSQPPU-UHFFFAOYSA-N	305.300	2.288	70	20	DEID	
CC(C)CC(=O)NCCC(=O)NCCO[C@@H]1CCCC[C@H]1C	160646386	RFSICQUOPICURJ-HUUCEWRRSA-N	312.454	2.250	70	20	DEID	
Cc1ccc([C@H]2COCCN2C(=O)[C@@H]2CCC(=O)C[C@@H]2C)o1	160676960	PLPHLOAXZJZOSE-NILFDRSVSA-N	305.374	2.493	70	20	DEID	
C[C@@H]1CC(=O)CC[C@@H]1C(=O)NC[C@@H](c1ccccc1)N(C)C	160926260	PKOSIUUKWKMVAN-COXVUDFISA-N	302.418	2.411	70	20	DEID	
COc1cc(CCC(=O)N2CCC[C@@H](C(N)=O)C2)ccc1Cl	160998115	PGPHFXRIKCUCFB-GFCCVEGCSA-N	324.808	2.005	70	20	DEID	
C[C@]1(CNC(=O)NCCCOC[C@@H]2CCCO2)CCCS1	159422968	OOBMKEKNCAOVSU-DZGCQCFKSA-N	316.467	2.157	70	20	DEID	
Cc1ccc([C@@H](C)CNS(=O)(=O)c2cn(C)c(C)n2)cc1	159673334	PSVKPXQGQDSHBM-LBPRGKRZSA-N	307.419	2.119	70	20	DEID	
Cc1cc(NC(=O)CCc2cnn(-c3ccccc3)c2)c[nH]c1=O	159722462	HPSQBUNDQIVVMO-UHFFFAOYSA-N	322.368	2.440	70	20	DEID	
Cc1c(NC(=O)C(=O)NCCC(C)C)cnn1-c1ccccc1	159925895	IZWQLBKPBOPKIS-UHFFFAOYSA-N	314.389	2.282	70	20	DEID	
CC[C@H](CCO)NC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1	159732279	IGRVQQMCGJWUMU-PMPSAXMXSA-N	306.406	2.367	70	20	DEID	
CCOc1ccccc1N(C)C[C@@H](O)COC1CCOCC1	159387228	RTZZDPVQXCPDRL-CQSZACIVSA-N	309.406	2.078	70	20	DEID	
CC(C)n1ccc(C(=O)Nc2cccc(S(=O)(=O)F)c2)n1	460090731	IGTPJWXMIWSKHD-UHFFFAOYSA-N	311.338	2.375	70	20	DEID	
CC(C)N(CC(F)(F)F)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1120890174	WDSJFBKRTCVLAC-UHFFFAOYSA-N	316.276	2.086	70	20	DEID	
Nc1cc(NC(=O)c2ccc(S(=O)(=O)F)cc2)ccc1F	1580436567	CPDJJANJXDWMNL-UHFFFAOYSA-N	312.297	2.318	70	20	DEID	
COc1ccc(NC(=O)c2cn(CCC(C)C)nn2)cc1N	161028628	GELPDENEOCAWQO-UHFFFAOYSA-N	303.366	2.167	70	20	DEID	
CN(C[C@H]1CCCCO1)S(=O)(=O)Cc1c(F)cccc1F	161098128	CHDMGMKEVDCPAM-LLVKDONJSA-N	319.373	2.296	70	20	DEID	
O=C(c1cnccn1)N1CC[C@H](Oc2ccccc2Cl)C1	161249886	BVNSIPCHBXZNJK-NSHDSACASA-N	303.749	2.424	70	20	DEID	
CCN(CC)c1ccc(CNC2CCC(NC(C)=O)CC2)cn1	161286401	RKBCWTPHQQFVTR-UHFFFAOYSA-N	318.465	2.465	70	20	DEID	
CCc1ccc(/C=C/C(=O)NCCS(=O)(=O)C(C)(C)C)o1	160000087	IJLHVCIFCQQJGN-CMDGGOBGSA-N	313.419	2.185	70	20	DEID	
CC[C@](C)(O)CNC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1	160137149	RSFGZEUOVVULDR-ZBFHGGJFSA-N	308.378	2.137	70	20	DEID	
FC(F)c1nnc2ccc(N[C@H]3CCO[C@@H](C4CC4)C3)nn12	160287494	WSNATFWKZDUKMX-VHSXEESVSA-N	309.320	2.431	70	20	DEID	
CCSc1cc(Cl)ccc1C(=O)N[C@H]1CCN(C)C1=O	160290989	JDXSMPXTYHFFNG-NSHDSACASA-N	312.822	2.413	70	20	DEID	
CNC(=O)c1ccc(CN(C)C(=O)C2=C(C)OCCC2)cc1	160419909	JSZJBNNKCCHGAR-UHFFFAOYSA-N	302.374	2.089	70	20	DEID	
C[C@@H](NCc1ccccc1CN1CCOCC1)c1cnn(C)c1	160463427	AAGCKXDZLYMVQY-OAHLLOKOSA-N	314.433	2.103	70	20	DEID	
COCCOc1ccccc1C(=O)N(C)Cc1cccn1C	160551422	CAHSBLYPOYOWLE-UHFFFAOYSA-N	302.374	2.323	70	20	DEID	
C[C@@H](O)C1CCN(C(=O)Nc2ccn(CC(F)(F)F)n2)CC1	160554822	GDQVNMXLCMMBKQ-SECBINFHSA-N	320.315	2.070	70	20	DEID	
CC[C@](C)(O)CNC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1	160666179	QSQIVKALNVUHKW-ZOBUZTSGSA-N	306.406	2.367	70	20	DEID	
COc1ccc(CCCNC(=O)N2CCC[C@](C)(O)C2)cc1	160773977	ZDUMCVOWHLWHHF-KRWDZBQOSA-N	306.406	2.184	70	20	DEID	
CC(C)c1cnc(NC(=O)c2cn(C3CCNCC3)nn2)s1	160892873	VQWXZQONNMUKRQ-UHFFFAOYSA-N	320.422	2.035	70	20	DEID	
C[C@H]1CC(=O)CC[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1	159416671	WTXGRGHODDKAFM-GXTWGEPZSA-N	324.421	2.071	70	20	DEID	
CC(C)CN(CC(N)=O)C(=O)c1ccc(C(F)(F)F)cc1	159825019	VSWIMIHRZWWSPW-UHFFFAOYSA-N	302.296	2.289	70	20	DEID	
COC(=O)C1(NC(=O)CN2CC[C@@H]3CCCC[C@@H]32)CCCCC1	159726287	ZKIHJSAYRUVAII-GJZGRUSLSA-N	322.449	2.243	70	20	DEID	
CCN1CCCN(C(=O)NC[C@@H](C)Oc2ccc(F)cc2)CC1	159921195	PEKJBHHMERQJQP-CQSZACIVSA-N	323.412	2.330	70	20	DEID	
N[C@@H](C(=O)N1CCN(CCc2ccccc2)CC1)c1ccccc1	217361599	OQXSLSGRTZWFRD-LJQANCHMSA-N	323.440	2.073	70	20	DEID	
C[C@H](CCO)Sc1ccc([N+](=O)[O-])cc1CS(=O)(=O)F	882030672	WYEKLOMCBBLFHS-MRVPVSSYSA-N	323.367	2.257	70	20	DEID	
C[C@@H](NC(=O)CCc1ccc(F)cc1F)C(=O)NC(C)(C)C	161099053	SHYVOGGMWOHATM-SNVBAGLBSA-N	312.360	2.317	70	20	DEID	
CCc1nn(C)c(Cl)c1C(=O)N(C)CCc1nccs1	160150347	IIVCWXAYYYYHTM-UHFFFAOYSA-N	312.826	2.407	70	20	DEID	
Cc1conc1NC(=O)C(=O)N1CCC[C@@H]1c1cccs1	160340516	BLCJANWDJFEWHS-SNVBAGLBSA-N	305.359	2.347	70	20	DEID	
C[C@H]1Cc2ccc(F)cc2[C@@H]1NCC(=O)NCC(F)(F)F	160630657	ALMFOIGCZGNWKX-ISVAXAHUSA-N	304.287	2.327	70	20	DEID	
O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)N1CCC[C@H](CO)C1	160745179	XXSFLJRSWKBTBF-UAGQMJEPSA-N	318.417	2.321	70	20	DEID	
COc1ccc(OCCCC(=O)NOCc2cccnc2)cc1	160746340	LOQKEEIEZNVFCX-UHFFFAOYSA-N	316.357	2.497	70	20	DEID	
CC[C@H](N)C(=O)N(CCc1ccc(OC)c(OC)c1)CC(C)C	160882779	GHYXNRXPFFUQIL-HNNXBMFYSA-N	322.449	2.468	70	20	DEID	
CC(C)COC[C@H](O)CN1CCO[C@]2(CCc3ccccc32)C1	159424132	ZKDVAPJSHHGMTQ-IEBWSBKVSA-N	319.445	2.194	70	20	DEID	
Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@H]2CCCC[C@H]21	159458552	FQPICPIHNISUFS-ZIAGYGMSSA-N	311.451	2.380	70	20	DEID	
COc1ccc(CNC(=O)N(CCN(C)C)C2CCCC2)cn1	159653025	QQHGOFSCCGAJIJ-UHFFFAOYSA-N	320.437	2.106	70	20	DEID	
CS(=O)(=O)Cc1cccc(C(=O)NCC2(C3CC3)CC2)c1	159692640	SFZVMWXELLQPPW-UHFFFAOYSA-N	307.415	2.151	70	20	DEID	
COc1ccc(CNC(=O)N(C)C[C@H]2CCC[C@H]2O)c(OC)c1	159700372	DCCKTZSWXKHAMO-UKRRQHHQSA-N	322.405	2.006	70	20	DEID	
CCOC(=O)c1[nH]c(C)c(S(=O)(=O)NC2(C)CCC2)c1C	159912852	UDATYGWRBVJWSW-UHFFFAOYSA-N	314.407	2.029	70	20	DEID	
CS[C@H](CO)[C@H](C)NC(=O)c1cc(Cl)c(N)c(Cl)c1	159648196	GMJZWMFMLVTYDE-QUBYGPBYSA-N	323.245	2.418	70	20	DEID	
O=C(CC[C@@H]1CCOC1)Nc1ccc(S(=O)(=O)F)cc1	123076340	KVXVPYQCVNZZKY-SNVBAGLBSA-N	301.339	2.100	70	20	DEID	
Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)F)cc2)nc1C	864244189	NGEJDFHSGPXCEN-UHFFFAOYSA-N	322.361	2.287	70	20	DEID	
O=C(Cc1ccc(S(=O)(=O)F)cc1)N1[C@H]2CCC[C@H]1CC2	1337287114	DQSPUCLRUJXZID-STQMWFEESA-N	311.378	2.431	70	20	DEID	
O=C(Nc1cnc2c(c1)CCCC2)c1cc(S(=O)(=O)F)c[nH]1	1340081645	FPJZXGSXIIOHEN-UHFFFAOYSA-N	323.349	2.199	70	20	DEID	
CC(=O)c1ccc(OCCCC(=O)N[C@@H]2CCC[C@H](N)C2)cc1	161172466	MFCKIPSQAYTQSA-JKSUJKDBSA-N	318.417	2.434	70	20	DEID	
O=C(Cc1ccon1)N1CCN(Cc2ccccc2Cl)CC1	161284680	FPOOYIVQSWJQBA-UHFFFAOYSA-N	319.792	2.215	70	20	DEID	
Cc1cc(NC(=O)C(=O)NCC(C)(C)C2CCCCC2)nn1C	160201609	QKENBARTKUGCNB-UHFFFAOYSA-N	320.437	2.390	70	20	DEID	
Cc1cc(NC(=O)COc2c(C)nn(C)c2C)nc(C(C)C)n1	160257026	GKTGLTBSUONNOZ-UHFFFAOYSA-N	317.393	2.276	70	20	DEID	
CC(C)(CO)CCCNC(=O)/C=C/c1ccc2c(c1)OCO2	160363883	FCQBNXPKYWWHSD-FNORWQNLSA-N	305.374	2.343	70	20	DEID	
CC[C@@H](C)N(C)CCNC(=O)Nc1ccn(CC(F)(F)F)n1	160365105	CYGLSAVDVBIRTR-SNVBAGLBSA-N	321.347	2.297	70	20	DEID	
COc1ccc(-c2cc(C(=O)N[C@H](C)[C@H]3CCOC3)[nH]n2)cc1	160380296	QKRXHCBJJMETKJ-YPMHNXCESA-N	315.373	2.240	70	20	DEID	
C[C@H](N[C@@H](CN1CCCC1=O)c1ccccc1)c1cnccn1	160710393	UKPFJCZCIBTSIV-YOEHRIQHSA-N	310.401	2.491	70	20	DEID	
CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)C2=CCCC2)nc1	160902699	GVTOQLBKMDTNIN-UHFFFAOYSA-N	323.418	2.207	70	20	DEID	
C[C@H](O)CN(C)[C@@H](C)C(=O)Nc1cccc(C(F)(F)F)c1	159470282	HJOGBWVKBBMBJS-UWVGGRQHSA-N	304.312	2.345	70	20	DEID	
C[C@H]1CC(=O)CC[C@@H]1C(=O)N(C)CC(=O)Nc1ccccc1	159921074	ZGQMNTAPOSABTB-WFASDCNBSA-N	302.374	2.089	70	20	DEID	
C[C@H](CCn1cccn1)Nc1ccccc1SCC(N)=O	159396759	OIYSDCVSFFTKIR-GFCCVEGCSA-N	304.419	2.351	70	20	DEID	
CCS[C@H]1CCC[C@@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1336961252	HNMCCEUKIKCCDV-ONGXEEELSA-N	320.411	2.077	70	20	DEID	
CCn1nccc1CNCc1c(OC)cc(OC)cc1OC	160040785	OYTAIEOZDQDHRK-UHFFFAOYSA-N	305.378	2.219	70	20	DEID	
Cc1nc([C@@H](NC(=O)CCNC(C)C)c2ccccc2F)no1	160138492	GFWULNIOGFPTFN-HNNXBMFYSA-N	320.368	2.111	70	20	DEID	
CC(C)Cn1cc(NC(=O)C(=O)Nc2cccc(F)c2)cn1	160420558	MYFQYYCZZSPCSU-UHFFFAOYSA-N	304.325	2.255	70	20	DEID	
Cc1noc2ncc(C(=O)NC[C@H]3CCCN3CC(C)C)cc12	160449476	KYVXABATCMKBEB-CQSZACIVSA-N	316.405	2.381	70	20	DEID	
Cc1ccccc1O[C@@H](C)CNC(=O)c1cnc2c(c1)ncn2C	160633900	REZYSQAOVIHDSA-ZDUSSCGKSA-N	324.384	2.474	70	20	DEID	
CN[C@@H]1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)C1	160696794	AWFAGFSYYRZFGS-GFCCVEGCSA-N	305.765	2.429	70	20	DEID	
CC(C)N1CC[C@@H](ONC(=O)C(C)(C)c2ccccc2)C1=O	160808535	JYLLTWXOWXQUCE-CQSZACIVSA-N	304.390	2.021	70	20	DEID	
COC(=O)c1ccc(Cn2cnc(C(C)C)cc2=O)cc1F	160808870	CXENNJHWEBLSTO-UHFFFAOYSA-N	304.321	2.341	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)Cc1c(C)[nH]c2ccccc12	160821687	ZQVAQQSUJLEVMH-LLVKDONJSA-N	302.374	2.477	70	20	DEID	
CCO[C@H](C)c1nc(CC(=O)N[C@H](CO)CC(C)C)cs1	160899461	YOEDFGQNYDQNMS-NEPJUHHUSA-N	314.451	2.306	70	20	DEID	
COc1ccc(OCCCNC(=O)N2CCC[C@@](C)(O)C2)cc1	160914778	HSPOZRKBOKPEER-QGZVFWFLSA-N	322.405	2.021	70	20	DEID	
Cc1onc(-c2ccccn2)c1C(=O)N[C@@H](C)[C@@H]1CCOC1	160957895	WNMGEIZZLOJGPB-CMPLNLGQSA-N	301.346	2.200	70	20	DEID	
CCc1ccc(NC(=O)NCC2CCS(=O)(=O)CC2)cc1	159409342	NMYKVBOVDMZSRY-UHFFFAOYSA-N	310.419	2.195	70	20	DEID	
O=C(CNCC1CC1)Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1	159422343	ZEMOEHVLNKCMQO-IRXDYDNUSA-N	318.417	2.307	70	20	DEID	
C[C@@H](CCCO)NC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1	159831222	YJVKDBLXVRQTTC-IMJJTQAJSA-N	306.406	2.367	70	20	DEID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)c1cncc(Cl)n1	460096938	VHQKZKJJWMSDIE-UHFFFAOYSA-N	315.713	2.041	70	20	DEID	
C[C@H]1C[C@H](C)CC[C@@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1348695876	IJKDMBCXCYRGIK-YWVKMMECSA-N	302.371	2.227	70	20	DEID	
CC(=O)N1CC[C@H](CN(C)CCC(=O)c2ccc(C)cc2)C1	161024134	JADPUQJHGZQXDX-MRXNPFEDSA-N	302.418	2.368	70	20	DEID	
C[C@@H](CCO)CNC(=O)c1oc2ccccc2c1CN(C)C	161046221	VIUMDMFMDMCHBR-LBPRGKRZSA-N	304.390	2.243	70	20	DEID	
CNC[C@H]1CCCN1C(=O)CCc1ccc(OC(F)F)cc1	161309546	VSNVQABIBNIULI-CYBMUJFWSA-N	312.360	2.431	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)c1ccc(N2CCC(C)=N2)cc1	160014180	VNUUTIUAPNAJKM-CYBMUJFWSA-N	317.389	2.344	70	20	DEID	
O=C(NCCn1cccc1)C(=O)Nc1cccc(C(F)F)c1	160112735	RFIYVEYTYOYKJS-UHFFFAOYSA-N	307.300	2.181	70	20	DEID	
CCCCN(C)S(=O)(=O)Nc1cnn(CCCC)c1C	160159053	UDDFLYLKMGOXCT-UHFFFAOYSA-N	302.444	2.380	70	20	DEID	
COc1ccc2c(c1)CN(C(=O)c1cnc3c(c1)ncn3C)CC2	160226488	OERIQUYIPCZDDI-UHFFFAOYSA-N	322.368	2.175	70	20	DEID	
CCc1c(C(=O)N2CCc3sccc3C2)[nH]c(C)c1C(N)=O	160235126	OOYKKFZIKFZSSC-UHFFFAOYSA-N	317.414	2.244	70	20	DEID	
Cc1cc(Cl)cc(C(=O)N2CC[C@H]3NC(=O)CC[C@H]3C2)c1	160557103	JVNMVMOOGOKVMJ-SMDDNHRTSA-N	306.793	2.389	70	20	DEID	
CCCC(O)(CCC)CNC(=O)N[C@@H]1CCN(CC2CC2)C1	160703144	XUVAEADMQKIZRK-OAHLLOKOSA-N	311.470	2.101	70	20	DEID	
CCC(=O)c1ccc(OCC(=O)N2C[C@@H]3CCC[C@H](C2)N3)cc1	160733420	RPBBZXGIXQFXHV-GASCZTMLSA-N	316.401	2.011	70	20	DEID	
CNC(=O)C(C)(C)CNC(=O)[C@H](C)Cc1ccccc1Cl	160964979	GWFZJSZJNXGMPW-LLVKDONJSA-N	310.825	2.407	70	20	DEID	
Cc1c(F)cccc1S(=O)(=O)NCC1(O)CCCCCC1	160988587	TYLBTIIXQKEZBJ-UHFFFAOYSA-N	315.410	2.498	70	20	DEID	
CCCC(O)(CCC)CNC(=O)NCCc1c(C)noc1C	159365641	XJIIKUWQJOCVIT-UHFFFAOYSA-N	311.426	2.464	70	20	DEID	
Cc1cc(N[C@H](C(=O)NC2CC2)c2ccc(F)cc2)nn1C	159597209	FYLIUBSEPNOBBD-HNNXBMFYSA-N	302.353	2.299	70	20	DEID	
O=C(Cc1ccc(S(=O)(=O)F)cc1)N[C@@H]1CCC[C@@H](F)C1	1337475046	NZGHMFWVSNRZGQ-VXGBXAGGSA-N	317.357	2.284	70	20	DEID	
COC(=O)c1sc(NC[C@@H]2CCN(C3CC3)C2)nc1Cl	217875195	OVCCGDYEPVWOCH-QMMMGPOBSA-N	315.826	2.479	70	20	DEID	
Cc1cnccc1CCNC(=O)N[C@@H]1CCN(C2CCCC2)C1	161400763	SCGAQZDRGVENAT-MRXNPFEDSA-N	316.449	2.249	70	20	DEID	
CC(C)(C(=O)NCCC(=O)NCc1cccnc1)C1CCCC1	161444647	XLTKTACXFSZYDG-UHFFFAOYSA-N	317.433	2.421	70	20	DEID	
CCOC(=O)[C@H](Cc1ccccc1)SCCN1CCOCC1	160028252	GUMNXLVQLLCMJS-INIZCTEOSA-N	323.458	2.226	70	20	DEID	
C[C@@H]1C[C@@H](NCc2ccccc2CN2CCOCC2)CCN1C	160424960	QNYSGWRZFMWUBR-APWZRJJASA-N	317.477	2.091	70	20	DEID	
COC(CN1CCCC[C@@H]1[C@@H](C)NC(=O)OC(C)(C)C)OC	160831958	UMQIMQFLDWGXJR-CHWSQXEVSA-N	316.442	2.373	70	20	DEID	
CSCC[C@H](N)C(=O)Nc1ccc(-c2nccc(C)n2)cc1	160879206	HERMUPPNSGBGJJ-AWEZNQCLSA-N	316.430	2.471	70	20	DEID	
CCOc1ccc(/C=C/C(=O)NC[C@H](C)CCO)cc1OC	160938364	CBRZJMVQFMSONM-STMXVASLSA-N	307.390	2.242	70	20	DEID	
CC(C)Oc1cc(CNC(=O)NC[C@@H]2CCCN(C)C2)ccn1	159802181	ALURMELQYVMMIX-HNNXBMFYSA-N	320.437	2.010	70	20	DEID	
O=C(C=C1CCCC1)N1CCC(CNC(=O)C(F)(F)F)CC1	216743186	LXEUISZZPKRGCK-UHFFFAOYSA-N	318.339	2.404	70	20	DEID	
CC1(C)C[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCS1	1121161384	RPNRDLAXDRQXOB-MRVPVSSYSA-N	320.411	2.077	70	20	DEID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)NC[C@@H]1CCC=CO1	1518040566	FIALRUOHRXCYMO-NSHDSACASA-N	313.350	2.076	70	20	DEID	
Cc1cccc(O[C@H](C)CNC(=O)C2(N)Cc3ccccc3C2)c1	161165346	UWQRAJDVWJREPR-OAHLLOKOSA-N	324.424	2.375	70	20	DEID	
Cc1ccccc1O[C@H](C)CNC(=O)C1(N)Cc2ccccc2C1	161170578	TZQSAOCRJLVNMT-OAHLLOKOSA-N	324.424	2.375	70	20	DEID	
CCC[C@@H](C(=O)OCC)N1CCC([C@H](O)C(F)(F)F)CC1	161457401	IKPUKZQIYRDKKR-RYUDHWBXSA-N	311.344	2.353	70	20	DEID	
CN(CC1CCOCC1)C(=O)Nc1cnn(CC(F)F)c1	161491385	CCDHAHLNUAPQRE-UHFFFAOYSA-N	302.325	2.039	70	20	DEID	
CCCc1cc(N[C@H]2[C@H]3CCO[C@@H]3C23CCC3)n2ncnc2n1	160039617	FCKXLYJEJMYOEO-SNPRPXQTSA-N	313.405	2.446	70	20	DEID	
Cc1cccc([C@H](NC(=O)[C@@H]2CC(=O)N(C)C2)c2ccccn2)c1	160097874	GKKWFSZTTZOAEC-QAPCUYQASA-N	323.396	2.074	70	20	DEID	
C[C@H](O)C[C@H]1CCCN1C(=O)Nc1ccc(-n2cccn2)nc1	160146103	QMUXUIMTYCEXDE-GXTWGEPZSA-N	315.377	2.035	70	20	DEID	
Cc1cc(C(=O)N2CSC[C@@H]2C(=O)N2CCCC2)oc1C	160196699	AIOHIJINAOJVFA-GFCCVEGCSA-N	308.403	2.034	70	20	DEID	
CCCCn1ncc(NC(=O)NC[C@H]2CCCN(C)C2)c1C	160241575	UWWGZBJJSNNYSF-CQSZACIVSA-N	307.442	2.455	70	20	DEID	
Cc1cc(C(=O)N2CCOC[C@@H]2[C@H]2CCCCC2=O)c(C)o1	160412174	JZDVEQSJDTXZFF-UKRRQHHQSA-N	305.374	2.497	70	20	DEID	
CN[C@@H]1CCN(C(=O)COc2ccc(Cl)c3cccnc23)C1	160520110	QGWXTNMLYUWGCP-LLVKDONJSA-N	319.792	2.087	70	20	DEID	
COC1(C(=O)NCC2(c3cccc(Cl)c3)CC2)CCNCC1	160547682	MTNXSFVRLDNDPI-UHFFFAOYSA-N	322.836	2.256	70	20	DEID	
CN(C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1)C1CCC(CO)CC1	160556469	PKQHSJRDRSOEJZ-IGDQZBHYSA-N	310.438	2.137	70	20	DEID	
C[C@@H]1CCCN(C(C)(C)CNC(=O)N2CCC[C@@](C)(O)C2)C1	160866280	LGDWGDOVYFWILR-RHSMWYFYSA-N	311.470	2.053	70	20	DEID	
Cc1nn(C)c(C)c1OCC(=O)Nc1c(F)cc(F)cc1F	160892705	FHEMPDFEJPEKAG-UHFFFAOYSA-N	313.279	2.472	70	20	DEID	
CCn1ncc2ccc(NC(=O)[C@H]3CCn4ccnc4C3)cc21	160893643	WSMUXIOBXMZBMA-LBPRGKRZSA-N	309.373	2.454	70	20	DEID	
CCOCCC1(CNC(=O)N[C@@H]2CCC[C@@H](N(C)C)C2)CC1	160907437	BZPXMEMZXYFEHF-HUUCEWRRSA-N	311.470	2.365	70	20	DEID	
Cc1nn(C)c(C)c1CC(=O)N[C@@H](C)CC(=O)c1cccs1	160974964	DPBYCSZDZLZGMG-JTQLQIEISA-N	319.430	2.419	70	20	DEID	
CCCc1cc(C(=O)NCc2nc3cccc(C)c3n2C)[nH]n1	159815369	YHDSYJQIAQXYGZ-UHFFFAOYSA-N	311.389	2.487	70	20	DEID	
C[C@H]1CCCN1C(=O)NCCc1nnc(-c2ccccc2)o1	159875452	QINTXZHOGYFBBG-LBPRGKRZSA-N	300.362	2.473	70	20	DEID	
CN(CC(C)(C)CN1CCOCC1)C(=O)c1ccc(F)cc1	159912775	JKAKWIBJCIOIQQ-UHFFFAOYSA-N	308.397	2.256	70	20	DEID	
COc1cc(N)c(Cl)cc1C(=O)N[C@H]1[C@H]2CCO[C@@H]2C1(C)C	159547591	LRFJJUMQBWQXPR-ULOPGQLASA-N	324.808	2.474	70	20	DEID	
CCOC(=O)CCc1ccc(NC(=O)NCC[C@@H](C)O)cc1	159584637	PVECPDNRMWIGCL-GFCCVEGCSA-N	308.378	2.075	70	20	DEID	
Cc1cccc(CCNC(=O)N2CCN(c3ccccn3)CC2)c1	217413670	LHZBEPRCHNRKDP-UHFFFAOYSA-N	324.428	2.464	70	20	DEID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)Nc1nccn1C1CC1	1337605736	HQXDKMZAVSUFBI-UHFFFAOYSA-N	323.349	2.437	70	20	DEID	
C[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1(C)C	1346928823	HBTRARDUJNRCQG-VIFPVBQESA-N	302.371	2.181	70	20	DEID	
O=C(Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1)[C@@H]1CCCN1	161038793	KULVMFHWICRISP-JYJNAYRXSA-N	304.390	2.059	70	20	DEID	
CCC1(CNC(=O)N[C@@H](C)[C@H](C)N2CCOCC2)CCCC1	161112011	JKKRSKWBGHVHRU-GJZGRUSLSA-N	311.470	2.365	70	20	DEID	
CCc1nnc([C@H](C)N2CCC([C@H](O)C(F)(F)F)CC2)o1	161210908	LKZURJCEUUMNHW-KWQFWETISA-N	307.316	2.328	70	20	DEID	
Cc1ccc(NC(=O)CN2CCN(c3ccncc3)CC2)cc1	161294442	AYRCVTRPXZMMBB-UHFFFAOYSA-N	310.401	2.151	70	20	DEID	
C[C@@]1(O)CCCN(C(=O)N[C@@H]2CCCOc3ccccc32)C1	161452824	CPIWXEMAKNRBRL-RHSMWYFYSA-N	304.390	2.457	70	20	DEID	
COC[C@@H](O)CCNC(=O)[C@H](C)CSc1ccc(F)cc1	161483299	IGQIIBAKICVAJI-YPMHNXCESA-N	315.410	2.068	70	20	DEID	
COC[C@H](NC(=O)Nc1ccc(C(=O)OC)cc1F)C1CC1	160082175	CXXBSCTXWUIAOC-ZDUSSCGKSA-N	310.325	2.159	70	20	DEID	
Cc1ccc(NC(=O)C(=O)NCCO[C@@H]2CCCC[C@H]2C)cn1	160097263	BTIRLRULMDOJBT-IUODEOHRSA-N	319.405	2.040	70	20	DEID	
O=C(NCCn1cccc1)C(=O)Nc1cccc(Cl)c1F	160125564	HUVXWJYSCLHOTI-UHFFFAOYSA-N	309.728	2.036	70	20	DEID	
O=C(NC1CCN([C@H]2CCCC[C@H]2O)CC1)c1ccsc1	160551912	INUMCPKWEJFVIZ-LSDHHAIUSA-N	308.447	2.246	70	20	DEID	
CCOC(=O)CNC(=O)c1cc(C)nc2c1cnn2[C@@H](C)CC	160602138	FPDDDMYZESFBQD-NSHDSACASA-N	318.377	2.004	70	20	DEID	
Cc1cc(OCC(=O)N(CC(N)=O)CC(C)C)ccc1C(C)C	159801982	KUEQPHIHZGPEOZ-UHFFFAOYSA-N	320.433	2.467	70	20	DEID	
CC(=O)N1CC[C@H](NC(=O)CC23CC4CC(CC(C4)C2)C3)C1	159459816	GMMSIECOGGJXMT-KUNBBXKYSA-N	304.434	2.330	70	20	DEID	
CCOC(=O)CN(C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1F	159485782	GXACTJVAKYAWDF-VIFPVBQESA-N	316.760	2.301	70	20	DEID	
COCC(C)(C)NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C	159973219	QWOBGXXCLAOSEO-HOCLYGCPSA-N	319.449	2.231	70	20	DEID	
CCN(C)CCNC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1	159589760	RRVFGDCQCFMDFB-HOTGVXAUSA-N	305.422	2.158	70	20	DEID	
CCS[C@H]1CCCCN(C(=O)C(=O)Nc2nocc2C)C1	161163495	PUDXMDAGJOWUFF-NSHDSACASA-N	311.407	2.056	70	20	DEID	
N[C@@H]1CCC[C@H](NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)C1	161310902	WUMSBWMRYZXMMZ-KGLIPLIRSA-N	311.385	2.042	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)Cc1c[nH]c2ccc(OC)cc12	160376773	DHRVCOSGYMLVJU-NSHDSACASA-N	318.373	2.177	70	20	DEID	
CC1(C)C[C@@H](NCc2cnc(N3CCOCC3)s2)CCO1	160557725	STQQJCSAVBCIMD-LBPRGKRZSA-N	311.451	2.027	70	20	DEID	
Cc1ccc(-c2nnc([C@@H](C)N(C)CC(=O)N(C)C)o2)cc1C	160563894	RDEJPTQPXZUMRT-CYBMUJFWSA-N	316.405	2.434	70	20	DEID	
O=C1CC[C@H]2CN(C(=O)c3cccc(F)c3Cl)CC[C@@H]2N1	160663605	QMEMTWOOQGMYFJ-CABZTGNLSA-N	310.756	2.220	70	20	DEID	
CC[C@H](NC(=O)Nc1ccc(F)c(C(N)=O)c1)[C@@H]1CCCO1	160775395	YZKYJYZAMPMMIG-STQMWFEESA-N	309.341	2.004	70	20	DEID	
COC(=O)[C@H](C)CN(C(=O)COc1cc(C)ccc1F)C1CC1	160908372	JFVQWPHQELJQRM-GFCCVEGCSA-N	323.364	2.313	70	20	DEID	
C[C@]1(O)CCCN(C(=O)NCc2nc3ccccc3s2)C1	159633160	QXCOHSRDLVKHAA-HNNXBMFYSA-N	305.403	2.353	70	20	DEID	
O=C(CN1CC[C@@H]2CCCC[C@@H]21)NC(=O)NCc1ccccc1	159649178	PHFCDBSIDQPDTQ-HOTGVXAUSA-N	315.417	2.277	70	20	DEID	
CN(CCCOc1ccc2c(c1)OCO2)C[C@H]1CCC[C@@H]1O	159453848	BKOAQSCDQUEBTG-HIFRSBDPSA-N	307.390	2.277	70	20	DEID	
O=S(=O)(F)Oc1ccc(CN2CCn3cccc3C2)cc1	2088595039	SWLQKKFEMRIGHK-UHFFFAOYSA-N	310.350	2.097	70	20	DEID	
CC[C@@](C)(O)CNS(=O)(=O)c1ccc(C(C)(C)C)s1	160294341	TWTSSWVLWBIMAR-CYBMUJFWSA-N	305.465	2.485	70	20	DEID	
CC(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)F)cc2)o1	460097155	WBJFFNURHLCSFA-UHFFFAOYSA-N	311.290	2.393	70	20	DEID	
O=C(c1ccc(S(=O)(=O)F)cc1)N1CCCc2ncccc21	864238055	BLCQWXVNLPDEIW-UHFFFAOYSA-N	320.345	2.333	70	20	DEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC2(CCCC2)CC1	1123830370	UYFUARNQWOMCGL-UHFFFAOYSA-N	314.382	2.469	70	20	DEID	
O=C(CCc1ccc(S(=O)(=O)F)cc1)NCCCC(F)F	1518384408	PRMYFXUQAAGUBP-UHFFFAOYSA-N	323.336	2.439	70	20	DEID	
Cn1cc(NC(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)cn1	161358219	UHXAFDMKGYCRFV-HIFRSBDPSA-N	300.362	2.462	70	20	DEID	
CC(C)c1ccc(C(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)cn1	161405539	NEIFPRFLFUALOD-HUUCEWRRSA-N	319.449	2.434	70	20	DEID	
C[C@@H](NC1CCN(C)CC1)c1ccc(OCCN(C)C)cc1	161418059	XQPOSZYWAXDOPE-OAHLLOKOSA-N	305.466	2.372	70	20	DEID	
O=C(NCCc1cccc(O)c1)c1cc(-c2cccnc2)on1	160178736	PBAUNOJBVJIVPR-UHFFFAOYSA-N	309.325	2.415	70	20	DEID	
COC(=O)N(C)CCCC(=O)N[C@H]1CCOC2(CCCC2)C1	160245572	IJMVYQXWMFKEMQ-ZDUSSCGKSA-N	312.410	2.073	70	20	DEID	
CCc1n[nH]c(=O)c(CNC(=O)N(C)C[C@H](C)CC)c1CC	160291330	XUFQYAPBGNWZBW-LLVKDONJSA-N	308.426	2.082	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)Cc1c(F)cccc1Cl	160329008	DFLNCXMKZYQCQT-SECBINFHSA-N	301.745	2.480	70	20	DEID	
CCc1nc(CN[C@@H](CC)c2ccc3c(c2)OCCO3)n[nH]1	160377939	VRHSNHAPVFPDDZ-LBPRGKRZSA-N	302.378	2.379	70	20	DEID	
COc1ccccc1SCC(=O)Nc1c(C)ccn(C)c1=O	160553345	QVPVQJGYOWXELT-UHFFFAOYSA-N	318.398	2.433	70	20	DEID	
CC[C@](C)(CCO)NC(=O)NCCOCc1cccc(OC)c1	160590785	FVJDBLFDRGLPGW-QGZVFWFLSA-N	324.421	2.062	70	20	DEID	
O=C(N[C@H]1CCN(CC2CC2)C1)N1CCc2ccccc2CC1	160624199	ZDBIEWLPQDRMOH-SFHVURJKSA-N	313.445	2.281	70	20	DEID	
Cc1nnc(SCc2nncn2C)n1Cc1ccccc1	160971925	KRQZMKDOUJQNTN-UHFFFAOYSA-N	300.391	2.056	70	20	DEID	
OC[C@H]1CCCN1C[C@H](O)Cc1ccc(C(F)(F)F)cc1	159851757	IDSASCYXRJIMEV-ZIAGYGMSSA-N	303.324	2.066	70	20	DEID	
CC[C@@H](C(=O)N[C@H]1CCc2nc(C)nn2C1)c1ccc(F)cc1	159673182	HIPAUJLKTATEQT-LSDHHAIUSA-N	316.380	2.350	70	20	DEID	
COc1cccc(CNC(=O)[C@@H]2CCC(=O)C[C@@H]2C)c1OC	159777406	ILSZCAJLYAOJPM-SMDDNHRTSA-N	305.374	2.325	70	20	DEID	
CC(C)[C@@H](CCO)NC(=O)[C@H]1CCCN(Cc2ccccc2)C1	160728655	XJWXIOCIUVSJSU-ZWKOTPCHSA-N	318.461	2.422	70	20	DEID	
CCCN(Cc1cnc(C2CC2)s1)[C@@H]1CCS(=O)(=O)C1	161113609	VGMFNESVWRMFLK-GFCCVEGCSA-N	314.476	2.420	70	20	DEID	
O=C(OCCOC1CCC1)c1ccc(S(=O)(=O)F)cc1	490536014	HBASCLWRFNOLJE-UHFFFAOYSA-N	302.323	2.071	70	20	DEID	
CCN(CC(=O)N[C@H](C)c1ccccc1)Cc1cnn(C)c1	161080387	GORUYAUPMADKMF-CQSZACIVSA-N	300.406	2.119	70	20	DEID	
CNS(=O)(=O)c1ccc([C@H](C)NCc2ccc(C)nc2)cc1	161321778	SEBWAXRANLXAPI-ZDUSSCGKSA-N	319.430	2.149	70	20	DEID	
C[C@@H](c1cccnc1)N(C)C(=O)CNC(=O)CC1CCCC1	161494959	QIDMOFCNBNJELR-ZDUSSCGKSA-N	303.406	2.298	70	20	DEID	
CCCc1cc(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)n2ncnc2n1	160039279	FCKXLYJEJMYOEO-CFVMTHIKSA-N	313.405	2.446	70	20	DEID	
Cc1nc2ccccn2c1CN1CCC[C@@H](N2CCCC2=O)C1	160348573	XDSAZBDYTKPXSI-OAHLLOKOSA-N	312.417	2.230	70	20	DEID	
Cc1noc(CS(=O)(=O)c2ncc(C(C)(C)C)s2)n1	160379658	RWEXFNGFOUCDJG-UHFFFAOYSA-N	301.393	2.106	70	20	DEID	
O=C(NCCOCCO)Nc1ccc(COC2CCCC2)cc1	160513999	QTUXKFIDVDRELE-UHFFFAOYSA-N	322.405	2.276	70	20	DEID	
O=C(NC1CCN([C@H]2CCCC[C@H]2O)CC1)c1cccc(F)c1	160631834	JPEKIZVICVKUTI-DLBZAZTESA-N	320.408	2.323	70	20	DEID	
Cc1c(C(=O)N[C@@H](CCO)C(C)C)cnn1-c1ccc(F)cc1	160689583	FXWKIAXSHJQTLH-INIZCTEOSA-N	319.380	2.457	70	20	DEID	
CC[C@@H]1CN(C(=O)Nc2ccn(CC(F)(F)F)n2)C[C@H](C)O1	160704588	PZDJHRPIJWMWLO-VHSXEESVSA-N	320.315	2.477	70	20	DEID	
CC[C@@H](C(=O)NCC(C)(C)S(C)(=O)=O)c1ccc(F)cc1	160778257	ZOLMYGJLZRYLND-CYBMUJFWSA-N	315.410	2.259	70	20	DEID	
CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)N(CC)CC	160828666	GLSXZYKIJLZBII-CYBMUJFWSA-N	312.435	2.290	70	20	DEID	
CC[C@@]1(C)C[C@@H]1C(=O)NCCNC(=O)c1ccc(C)c(F)c1	160863343	JKSPPUMCXVKQJM-DYVFJYSZSA-N	306.381	2.416	70	20	DEID	
C[C@H](C(=O)NCc1ccccc1)N1CC[C@]2(O)CCCC[C@@H]2C1	160974442	JAHALDOKXZSWRU-SZVBFZGTSA-N	316.445	2.318	70	20	DEID	
Cc1cc(N[C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)nn1C	159646526	NXYHLRNZOMGFIV-OCCSQVGLSA-N	300.406	2.449	70	20	DEID	
Cc1ccc(NC(=O)C(=O)N[C@H](C)CCc2ccccc2)cn1	159728312	XVBWZPUGPGKJLU-CQSZACIVSA-N	311.385	2.466	70	20	DEID	
Cc1cc(NC(=O)c2cccnc2OCC(C)C)c[nH]c1=O	159366416	MJFLLOPWYBZVDU-UHFFFAOYSA-N	301.346	2.365	70	20	DEID	
Cc1ccc(C(=O)C(=O)Nc2cccc(S(=O)(=O)F)c2)cc1	460093145	OIVOHEXIVSSASI-UHFFFAOYSA-N	321.329	2.475	70	20	DEID	
CC(C)[C@H]1N(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1(C)C	1123828268	GEDXAAFVNIPGSO-LLVKDONJSA-N	302.371	2.180	70	20	DEID	
CCCN(CC)S(=O)(=O)c1cc(F)ccc1C(=O)OC	218054133	WOWBOWCZMUYPNU-UHFFFAOYSA-N	303.355	2.033	70	20	DEID	
O=S(=O)(F)c1ccc(NC[C@H]2CC[C@@H](C3CC3)O2)nc1	1551201822	CVUSCFLFXCYCJM-PWSUYJOCSA-N	300.355	2.109	70	20	DEID	
C[C@H]1CN(S(=O)(=O)Cc2c(F)cccc2F)CC(C)(C)O1	161239893	CMTUYZFYZXAJNO-JTQLQIEISA-N	319.373	2.294	70	20	DEID	
CCC[C@H](CC1CCCC1)C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1	161447755	BFZPYHZFLZMNNI-QLFBSQMISA-N	310.438	2.132	70	20	DEID	
COc1ccc(CNC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2N)cc1Cl	161492502	AOXRDLMYPXZJHI-GVARAGBVSA-N	308.809	2.338	70	20	DEID	
C[C@H]1C[C@H]1c1ccc(CN(C(=O)C2(NC(N)=O)CC2)C2CC2)o1	160206159	KUEQDNMODLGLNF-GXFFZTMASA-N	317.389	2.095	70	20	DEID	
Cc1noc(C)c1[C@H](C)CNC(=O)N(C)CC1CCOCC1	160211852	MZBVWVOEPWCWMC-LLVKDONJSA-N	309.410	2.463	70	20	DEID	
COCCOCCN(Cc1ccccc1)C(=O)C1CCOCC1	160220007	HJWMAGDLYLMYIR-UHFFFAOYSA-N	321.417	2.105	70	20	DEID	
CC(=O)Nc1cccc([C@H](C)N[C@H]2CCc3nc(C)nn3C2)c1	160295935	BHJKOZXCIHRDBR-ZBEGNZNMSA-N	313.405	2.211	70	20	DEID	
CS(=O)(=O)CCCC[S@@](=O)c1ccc(F)c(Cl)c1	160418201	YXZYXTOXLJHZEV-KRWDZBQOSA-N	312.815	2.412	70	20	DEID	
COC(=O)c1csc(NC(=O)N(C)CCOCC2CC2)c1	160716500	GJRVVSQNHICARI-UHFFFAOYSA-N	312.391	2.425	70	20	DEID	
O=C(NCCCOCC1CC1)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21	160810752	SHYOFVNBHULLGB-IXDOHACOSA-N	300.402	2.441	70	20	DEID	
CC(C)Oc1ccc(NC(=O)NCC2(CO)CCOCC2)cc1	160966394	SZADAMPXMXIYLM-UHFFFAOYSA-N	322.405	2.384	70	20	DEID	
CCn1c(CCN)nnc1Sc1nc(C(C)(C)C)ns1	159815989	WEMSYSTWEIRBJU-UHFFFAOYSA-N	312.468	2.099	70	20	DEID	
NC1(CNC(=O)c2cc(=O)[nH]c3cc(F)ccc23)CCCCC1	159530757	OIBGJLDICFMBKA-UHFFFAOYSA-N	317.364	2.059	70	20	DEID	
CCn1cnnc1CNC(=O)[C@@H](Cc1ccccc1)C(C)C	159953683	WTIHMFFEFQDQAG-HNNXBMFYSA-N	300.406	2.429	70	20	DEID	
NC(=O)[C@@H]1CCCN1C1CCN(Cc2cccc(Cl)c2)CC1	159386486	JMTKBPNWSLMFDX-INIZCTEOSA-N	321.852	2.254	70	20	DEID	
CCC[C@@H](CCO)CNC(=O)c1ccncc1Br	159834928	FMIVXBZOTOAZDY-JTQLQIEISA-N	315.211	2.373	70	20	DEID	
O=C(OC[C@@H]1CCC[C@@H](O)C1)c1cccc(S(=O)(=O)F)c1	1333519127	LTLXMFLKIVATBS-ZYHUDNBSSA-N	316.350	2.053	70	20	DEID	
Cc1cccc(CN(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)c1	1346040992	VUJKMXCKYKODLD-UHFFFAOYSA-N	310.350	2.254	70	20	DEID	
O=C(OC[C@@H]1C[C@H]2CC[C@H]1O2)c1cccc(S(=O)(=O)F)c1	1354182026	PCGRJLIFTQWPIW-DMDPSCGWSA-N	314.334	2.069	70	20	DEID	
Cc1cccc([C@H]2CCCN2CC(=O)N2C[C@H](C)O[C@H](C)C2)n1	160098593	VSJQBYSDUYQFOU-HLLBOEOZSA-N	317.433	2.163	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)c1oc(Br)cc1C	160099237	RPRBBSRDTRLANR-QMMMGPOBSA-N	318.167	2.422	70	20	DEID	
Cc1cccc(C(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)c1Cl	160385715	PAWQIMXJQXVBBT-YPMHNXCESA-N	306.793	2.389	70	20	DEID	
CC(C)c1nc(N[C@H]2CCO[C@@H](C3CC3)C2)nc(N(C)C)n1	160406227	ADAMCZIAXUTTKK-QWHCGFSZSA-N	305.426	2.431	70	20	DEID	
CCN(Cc1ccccc1NC(=O)N[C@]1(C)CCOC1)C(C)=O	160723101	CYYUTLZMWHLPTI-QGZVFWFLSA-N	319.405	2.356	70	20	DEID	
CCCCN(C)CCNC(=O)Nc1ccn(CC(F)(F)F)n1	160743165	BDSYWBMSTMPQIM-UHFFFAOYSA-N	321.347	2.299	70	20	DEID	
CC(C)(C)c1nnc(NC(=O)CNC(=O)CC2CCCC2)s1	160823796	HYCKSECIAXPCTQ-UHFFFAOYSA-N	324.450	2.471	70	20	DEID	
COCCc1noc(CN2CCC[C@H]2c2cccc(C)n2)n1	159723732	RFDNHDIOIIYEQA-AWEZNQCLSA-N	302.378	2.299	70	20	DEID	
CCOCCCN1CC[C@@H](NC(=O)CCc2ccco2)[C@@H](C)C1	217210043	QXVIZFWOYJQGPH-DOTOQJQBSA-N	322.449	2.465	70	20	DEID	
CCc1onc(C)c1NC(=O)c1ccc(S(=O)(=O)F)cc1	864240598	AILUUVJHIQEULE-UHFFFAOYSA-N	312.322	2.456	70	20	DEID	
COC[C@H](C)CNc1ccc([N+](=O)[O-])cc1CS(=O)(=O)F	881847228	ATVLHFWDUJSLLK-SECBINFHSA-N	320.342	2.089	70	20	DEID	
C[C@@H](c1ccc(F)cc1)N(C)C(=O)N[C@@H]1CCc2ncnn2C1	161177813	GYVIBMPQWCEPNY-SMDDNHRTSA-N	317.368	2.135	70	20	DEID	
CCN(Cc1ccccn1)C(=O)NCCCC(=O)OC(C)C	160044500	BAFQQDYPEIYQHF-UHFFFAOYSA-N	307.394	2.345	70	20	DEID	
CC[C@@H](C)Oc1ccc(NC(=O)NCC[C@H](O)COC)cc1	160119835	OVEWHVXCDPAUOV-OCCSQVGLSA-N	310.394	2.383	70	20	DEID	
CCN(CC(=O)NCc1ccc(F)cc1)CC1=CCCOC1	160235850	CPCIZCXROWROBE-UHFFFAOYSA-N	306.381	2.111	70	20	DEID	
O=C1CC[C@@H]2CN(C(=O)c3cccc(Cl)c3F)CC[C@@H]2N1	160558061	IQNJYKAEIGEWTE-SKDRFNHKSA-N	310.756	2.220	70	20	DEID	
CC1(C)C[C@@H](Nc2cc(N3CCC[C@H](CO)C3)ncn2)CCO1	160713403	UWWFNUIJHZQNAI-KBPBESRZSA-N	320.437	2.055	70	20	DEID	
CC[C@H](O)CCNC(=O)NCc1cccc(CN2CCCC2)c1	160967220	ZEBFATHQBFHFOW-KRWDZBQOSA-N	319.449	2.243	70	20	DEID	
CC(C)c1ccc(-n2nnnc2SCc2nncn2C)cc1	160998721	ZAYVUSIYXKGTJS-UHFFFAOYSA-N	315.406	2.207	70	20	DEID	
Cc1nc(C)n(-c2ccccc2NC(=O)[C@]2(C)CCCO2)n1	159497248	IOQCJQUTONCCBY-INIZCTEOSA-N	300.362	2.392	70	20	DEID	
C[C@H](NC(=O)N(C)[C@H]1CCCc2c1cnn2C)C1CCOCC1	159703149	BINQLDLGOXJSNI-WFASDCNBSA-N	320.437	2.254	70	20	DEID	
CCN(CC)S(=O)(=O)N(Cc1cccnc1)Cc1ccco1	159739311	NICKAXXKFIRBGO-UHFFFAOYSA-N	323.418	2.263	70	20	DEID	
COCCc1noc(CN(C)c2nc(C(C)(C)C)ns2)n1	159956960	VEUOECCWBVRWBU-UHFFFAOYSA-N	311.411	2.044	70	20	DEID	
COC1(CC(=O)Nc2cccc(S(=O)(=O)F)c2)CCC1	276929285	UEEOLGUJBCIVKS-UHFFFAOYSA-N	301.339	2.243	70	20	DEID	
C[C@@H]1CN(C(=O)Cc2ccc(S(=O)(=O)F)cc2)[C@H](C)[C@H]1C	1518248513	JOZWKSPKLAUJKX-GRYCIOLGSA-N	313.394	2.390	70	20	DEID	
CCC(CC)(CN)C(=O)N[C@@H]1C[C@@H](C)N(c2ccccc2)C1=O	161246438	GOXCMJWDYHNADG-UKRRQHHQSA-N	317.433	2.062	70	20	DEID	
C[C@@H](Cc1cccc(Cl)c1)C(=O)NCC(=O)N1CCCC1	161305514	ADOFHMWGGJJMKE-LBPRGKRZSA-N	308.809	2.257	70	20	DEID	
CCn1c(SCCn2ccnc2)nnc1-c1ccccn1	160188369	HDJXOFADSGVGEA-UHFFFAOYSA-N	300.391	2.349	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)Cc1cn(C)c2ccccc12	160413708	OVNODYHTGWBZGA-LBPRGKRZSA-N	302.374	2.179	70	20	DEID	
O=C(NC[C@H]1CCCS1)Nc1ccn(CC(F)(F)F)n1	160445729	QEFAXMSIAQHKQF-MRVPVSSYSA-N	308.329	2.463	70	20	DEID	
Cc1nn(C)cc1CNc1ccc(CC(=O)NC(C)C)cc1	160564342	TVLKOQFSHPGMQH-UHFFFAOYSA-N	300.406	2.408	70	20	DEID	
CCCCOCCNC(=O)Nc1ccn(CC(F)(F)F)n1	160567685	ZNPVJYMPOMVCSW-UHFFFAOYSA-N	308.304	2.384	70	20	DEID	
CSCC[C@H](N)C(=O)N[C@H](C)c1cccc(-n2cccn2)c1	160575959	IEPWNAHLRQHTNQ-DOMZBBRYSA-N	318.446	2.130	70	20	DEID	
Cc1cccc(O[C@@H](C)CNC(=O)c2cnc3c(c2)ncn3C)c1	160621755	GDSDJFGSJVPPHP-ZDUSSCGKSA-N	324.384	2.474	70	20	DEID	
C[C@H](NCc1ccc(CN2CCOCC2)cc1)C1CCOCC1	160636521	VLTDMHWZOMBGIT-INIZCTEOSA-N	318.461	2.424	70	20	DEID	
CC[C@](C)(O)CNC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1	160665935	QSQIVKALNVUHKW-VYDXJSESSA-N	306.406	2.367	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)CCCOc1ccc(F)cc1	160864657	RATYSYNMGIDWMZ-LBPRGKRZSA-N	311.353	2.443	70	20	DEID	
COc1cc(Cl)c(C(=O)NC[C@H](O)C(C)C)cc1OC	159408868	YWWIDYRBZAVCJX-NSHDSACASA-N	301.770	2.104	70	20	DEID	
CCOC(=O)c1ccc(CNC(=O)CCCn2cccc2)o1	159821690	FZAVUNSGJLMBDJ-UHFFFAOYSA-N	304.346	2.354	70	20	DEID	
CCCCn1ncc(NC(=O)N2CC[C@H](N3CC=CC3)C2)c1C	159856752	CFMGROBZCXBXII-HNNXBMFYSA-N	317.437	2.470	70	20	DEID	
C[C@@H]1CC[C@H](NC(=O)NC[C@@H](C)CN2CCOCC2)[C@H](C)C1	159857995	OXRGTUXUJNAZIS-FPCVCCKLSA-N	311.470	2.079	70	20	DEID	
CCCN(Cc1ccccc1)C(=O)NC[C@H]1CCCS1(=O)=O	159871868	OXUFEECHXQEPLR-OAHLLOKOSA-N	324.446	2.185	70	20	DEID	
CN(C)c1cccc(CNC(=O)NC[C@@H]2Cc3ccccc32)n1	159888157	JDYBDBAXJZKXIL-AWEZNQCLSA-N	310.401	2.287	70	20	DEID	
C[C@H](C(=O)N1CCC[C@@H](CN2CCOCC2)C1)c1cccs1	159912302	VFGCPEPAAUTRRK-GJZGRUSLSA-N	322.474	2.422	70	20	DEID	
CC[C@@H]1CN(C(=O)c2cc3c([nH]c2=O)CCCCC3)C[C@H](C)O1	159776778	DHZJIAAAPGRDRG-GXTWGEPZSA-N	318.417	2.283	70	20	DEID	
O=S(=O)(F)Oc1ccc(S(=O)(=O)c2ccccc2)cc1	1887503892	PGWNDHSTKBSUOJ-UHFFFAOYSA-N	316.331	2.113	70	20	DEID	
COCCC1(NC(=O)c2cccc(S(=O)(=O)F)c2)CCC1	1340624686	IPZFRIOQNPBZQM-UHFFFAOYSA-N	315.366	2.034	70	20	DEID	
Cc1sc2nc(SCc3nncn3C)nc(N)c2c1C	161023733	NFRXTDBGKNRCQE-UHFFFAOYSA-N	306.420	2.311	70	20	DEID	
CCC[C@H](CCO)CNC(=O)/C=C/c1ccc2c(c1)OCO2	161164592	NOPFJSTZUCBVRZ-HZRUHFOJSA-N	305.374	2.343	70	20	DEID	
CCCn1c(C)nnc1COc1ccc(C(=O)OC)cc1OC	161217120	LBRZSIZBHIQDAZ-UHFFFAOYSA-N	319.361	2.371	70	20	DEID	
COC[C@H](O)CCNC(=O)[C@H](C)Sc1ccccc1Cl	161230850	JOFIJXQVAVVWJS-WDEREUQCSA-N	317.838	2.334	70	20	DEID	
COC[C@H](O)CCNC(=O)[C@@H](C)Oc1cccc(C(C)C)c1	161338579	SYDHVLWSRFRFDY-UKRRQHHQSA-N	309.406	2.091	70	20	DEID	
C[C@@H](c1ccsc1)N1CCN(C(=O)Nc2cnn(C)c2)CC1	161359580	HDACBJFPOHEOTI-LBPRGKRZSA-N	319.434	2.392	70	20	DEID	
COc1cc(C(=O)NCc2cccc(F)c2)cc(OC)c1O	161400533	MSUIWWNWKIJOBF-UHFFFAOYSA-N	305.305	2.479	70	20	DEID	
CN(CCOCc1ccccc1)C(=O)c1cccc(C(N)=O)c1	161502945	KUOKNWWEBWGIGZ-UHFFFAOYSA-N	312.369	2.074	70	20	DEID	
COC(=O)N[C@H](C(=O)N[C@H]1CCc2c(OC)cccc21)C(C)C	160031597	JVXYMUZYHJJREB-ZFWWWQNUSA-N	320.389	2.179	70	20	DEID	
C[C@H](C(=O)Nc1cccc(-n2ccnn2)c1)C1CCOCC1	160199682	UOMBWSPOQJOMJT-LBPRGKRZSA-N	300.362	2.269	70	20	DEID	
NC[C@@H]1CCCN1C(=O)c1cnn(-c2ccc(Cl)cc2)c1	160320065	BVTCUSKYFXPZEL-AWEZNQCLSA-N	304.781	2.089	70	20	DEID	
CCc1cc(O)nc(CN(C)Cc2ccc3c(c2)OCO3)n1	160563470	PUOFEPULXWIFEH-UHFFFAOYSA-N	301.346	2.105	70	20	DEID	
COc1cccc(CCCNC(=O)N(C)C[C@@H]2CCC[C@H]2O)c1	160600075	QIHNVILBERCLRE-DOTOQJQBSA-N	320.433	2.430	70	20	DEID	
CC(C)(F)C(=O)Nc1ccc2nc(N3CCOCC3)oc2c1	160653690	LKLPZAGSUNWOBT-UHFFFAOYSA-N	307.325	2.351	70	20	DEID	
CCCC1(CNC(=O)[C@H](C)Sc2nnnn2C2CC2)CC1	160683600	VNBITPNEDYCJNQ-JTQLQIEISA-N	309.439	2.185	70	20	DEID	
CC(C)c1cc(=O)n(CC(=O)N(C)CC2CCCCC2)cn1	160845113	IGCFNNNCBAZREF-UHFFFAOYSA-N	305.422	2.405	70	20	DEID	
C[C@@H]1CCC[C@@H](C(=O)Nc2ccc(CS(N)(=O)=O)cc2)C1	159458981	FRUWUAQVPYWTJX-DGCLKSJQSA-N	310.419	2.240	70	20	DEID	
CCOC(=O)CCCS(=O)(=O)N1CCC[C@H]2CCCC[C@H]21	159462429	HPMISKXFELEONY-ZIAGYGMSSA-N	317.451	2.314	70	20	DEID	
COCC[C@H](C)NC(=O)c1cc(-c2cccc(OC)c2)n[nH]1	159718823	USGLKQUMLHALHV-NSHDSACASA-N	303.362	2.240	70	20	DEID	
CC(C)CN(CC(N)=O)C(=O)COc1ccc(C(C)C)cc1	159779393	YRYQEKWSLYCVNT-UHFFFAOYSA-N	306.406	2.159	70	20	DEID	
CCN(CCS(C)(=O)=O)C(=O)Nc1ccc(C)cc1F	159975473	MFQYWETWZWTSAY-UHFFFAOYSA-N	302.371	2.033	70	20	DEID	
COC(=O)[C@@H]1CCCN(C(=O)NC[C@@H]2CCc3ccccc32)C1	159595752	ZOBSUSJJFRQHKF-LSDHHAIUSA-N	316.401	2.311	70	20	DEID	
O=C(NOCc1cccnc1)c1csc([C@@H]2CCCO2)n1	161042134	PESXXKVGXQLVRJ-LBPRGKRZSA-N	305.359	2.251	70	20	DEID	
CNC(=O)c1cccc(NC(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)c1	161414243	SDDSLMLKZQROQR-HUUCEWRRSA-N	317.389	2.125	70	20	DEID	
COc1cccc2c1CC[C@H]2NC(=O)CCc1nc(C)no1	160051353	HALFNFMNLUTLDY-CYBMUJFWSA-N	301.346	2.123	70	20	DEID	
CCN1CCN(C[C@H](C)CNC(=O)[C@H](C)c2cccs2)CC1	160118486	JQOJHJIMJQQRFK-HUUCEWRRSA-N	323.506	2.241	70	20	DEID	
COCCOc1ccccc1C(=O)NCCc1cccc(O)c1	160236125	BUPDTGLUIYFBNX-UHFFFAOYSA-N	315.369	2.390	70	20	DEID	
CC(C)CN1CCC[C@@H]1CNC(=O)[C@@H]1COc2ccccc21	160544312	ZKKBPLSHVNOFPU-GDBMZVCRSA-N	302.418	2.399	70	20	DEID	
O=C1CC[C@H]2CN(C(=O)Cc3ccc(Cl)cc3)CC[C@@H]2N1	160564513	NFMDJPVCDXOBMY-JSGCOSHPSA-N	306.793	2.010	70	20	DEID	
Cc1conc1NC(=O)C(=O)N(CC1CCCCC1)C1CC1	160646146	VCRPYMCCAAVDKO-UHFFFAOYSA-N	305.378	2.493	70	20	DEID	
O=S(=O)(NCC1(CO)CCCC1)c1ccc(Cl)cc1F	160340221	WZGXDIDYHFULEU-UHFFFAOYSA-N	321.801	2.310	70	20	DEID	
O=C(CC[C@H]1CCOC1)Nc1cccc(S(=O)(=O)F)c1	460091261	JMENUANGDGCVHE-JTQLQIEISA-N	301.339	2.100	70	20	DEID	
CCN(CC(F)(F)F)C(=O)c1ccc(S(=O)(=O)F)cc1	864240517	YTZASSFLPAAHLY-UHFFFAOYSA-N	313.272	2.369	70	20	DEID	
CS[C@@H]1CC[C@@H](NC(=O)c2ccc(S(=O)(=O)F)cc2)C1	889252604	ZRFFANDZPWBGIW-GHMZBOCLSA-N	317.407	2.359	70	20	DEID	
CC(C)CCC(=O)NCC(=O)N[C@H](C)CC(=O)c1cccs1	161036518	KQUOCERQHFZQKW-GFCCVEGCSA-N	324.446	2.378	70	20	DEID	
CCC[C@H](N)C(=O)Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1	161040333	DJLJGTKIALVKSU-JYJNAYRXSA-N	306.406	2.435	70	20	DEID	
COC(=O)C1(NC(=O)c2cnn(CC(C)C)c2C)CCCCC1	161128999	ROWMUKICQNAFHR-UHFFFAOYSA-N	321.421	2.453	70	20	DEID	
CC(C)N(CCNC(=O)N[C@@H](CCO)C(C)(C)C)C(C)C	161185774	WYQNTGPMKUVZJX-AWEZNQCLSA-N	301.475	2.202	70	20	DEID	
CC(C)CCn1ccc(NC(=O)N[C@H]2CCCC[C@H]2C(N)=O)n1	161193780	CGRAIOHRVIADQV-OLZOCXBDSA-N	321.425	2.095	70	20	DEID	
Cn1ccnc1C(=O)c1ccc(NC(=O)[C@@H]2CCCCO2)cc1	160114109	DHMDNORDGFSCII-AWEZNQCLSA-N	313.357	2.159	70	20	DEID	
CCc1n[nH]c(=O)c(CNC(=O)N2CC[C@@H](C)C[C@@H]2C)c1CC	160349421	YVVBACCQAWEDFC-NEPJUHHUSA-N	320.437	2.225	70	20	DEID	
CCNC(=O)N1CCc2ccc(NC(=O)NOCC(C)C)cc21	160515593	QHWZFFHHRZWCIF-UHFFFAOYSA-N	320.393	2.488	70	20	DEID	
CCCN(CCN(CC)CC)C(=O)Nc1ccc(=O)n(CC)c1	160538282	XSLNVFFPPHJTAW-UHFFFAOYSA-N	322.453	2.454	70	20	DEID	
CCC[C@@](C)(CO)NC(=O)Nc1ccn(CC(F)(F)F)n1	160676332	GYQXGSOUHYHDSR-NSHDSACASA-N	308.304	2.118	70	20	DEID	
CCN(CC)C(=O)[C@@H](c1ccccc1)N(C)C[C@H](O)C1CC1	160771030	TYRLAKCGZLIXKR-DLBZAZTESA-N	304.434	2.299	70	20	DEID	
CCOC(=O)CCN(C(=O)c1cnn(CC(C)C)c1C)C1CC1	160788908	OFEZVVYSCPSOED-UHFFFAOYSA-N	321.421	2.405	70	20	DEID	
CC[C@@H]1CCC[C@H]1NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1	159821049	RLRSTVTXIKDODV-GZBFAFLISA-N	324.446	2.048	70	20	DEID	
CC[C@@H]1CCC[C@H]1NC(=O)Cn1nnc(-c2ccc(C)cc2)n1	159638497	WDWIFGZCRDYXRO-UKRRQHHQSA-N	313.405	2.343	70	20	DEID	
O=C(CC(F)(F)F)Nc1cccn(CC(F)(F)F)c1=O	159837171	QDUDCJSHZWVWQF-UHFFFAOYSA-N	302.174	2.302	70	20	DEID	
CC(C)CN1CC[C@@H](CNC(=O)N(C)CC2CCOCC2)C1	159932092	FTXFVUUVQWYUIT-INIZCTEOSA-N	311.470	2.032	70	20	DEID	
O=C(c1cc(-c2ccccc2)n[nH]1)N1CCc2ncncc2C1	218059367	IVRXFGDHOZMGPN-UHFFFAOYSA-N	305.341	2.065	70	20	DEID	
CN(Cc1cccn1C)C(=O)c1cc(Br)cn1C	160954815	DINBIYWNONWCBY-UHFFFAOYSA-N	310.195	2.398	70	20	DEID	
O=C(C[C@@H]1CCCOC1)Nc1ccc(S(=O)(=O)F)c(F)c1	857672839	KQBYDMAOSUDSTP-VIFPVBQESA-N	319.329	2.239	70	20	DEID	
CC(C)O[C@H]1C[C@@H](NC(=O)c2cccc(S(=O)(=O)F)c2)C1	1337491027	MAEZZTOEDBMURK-TXEJJXNPSA-N	315.366	2.031	70	20	DEID	
CS[C@H]1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1338400803	RGMZSGOHYSDBQC-BDAKNGLRSA-N	320.411	2.077	70	20	DEID	
COc1cc(C(=O)NC[C@@H](C)CCO)ccc1OC(F)F	161004691	KGBWOAXLSOEDKV-VIFPVBQESA-N	303.305	2.045	70	20	DEID	
COCc1ccc([C@@H]2CCCN2C(=O)c2ccc(C)[nH]c2=O)o1	161333427	LMZJATVUHGKKFB-AWEZNQCLSA-N	316.357	2.400	70	20	DEID	
O=S(=O)(Cc1csc(-c2ccco2)n1)C1CCOCC1	160050827	NRPJTCOJXUCQHF-UHFFFAOYSA-N	313.400	2.497	70	20	DEID	
COCCC1(C(=O)N[C@@H](C)c2nnc3ccccn23)CCC1	160138333	QSGXGIFYPGVQCW-LBPRGKRZSA-N	302.378	2.113	70	20	DEID	
CC[C@H](C)CS(=O)(=O)N1CCC[C@H](N2CCCC2)CC1	160163893	SHAGGEBZSNOSMT-GJZGRUSLSA-N	302.484	2.313	70	20	DEID	
CCN(CC)CCC[C@@H](C)NC(=O)c1cnc2c(c1)ncn2C	160189499	NMWQKFATDRNEDM-CYBMUJFWSA-N	317.437	2.209	70	20	DEID	
Cc1cc(Cl)ccc1NC(=O)C(=O)NCCn1cccc1	160211213	KGCRSQFWZMBYOT-UHFFFAOYSA-N	305.765	2.205	70	20	DEID	
Cc1ccc(-n2cc(C)cn2)c(NC(=O)C(=O)N2CCCC2)c1	160298571	HYMAUKCQNHWXFC-UHFFFAOYSA-N	312.373	2.050	70	20	DEID	
CS(=O)(=O)CCCC[S@](=O)c1ccc(F)c(Cl)c1	160418316	YXZYXTOXLJHZEV-QGZVFWFLSA-N	312.815	2.412	70	20	DEID	
CCC(N)(CC)CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1	160478191	WGGXKBMDHJNZPE-CABCVRRESA-N	323.481	2.049	70	20	DEID	
CCN(CC(C)(C)O)C(=O)NCCOCc1cccc(OC)c1	160626192	OVSZZTQRXPFJEN-UHFFFAOYSA-N	324.421	2.014	70	20	DEID	
CC[C@@H](NCC(C)(C)NS(C)(=O)=O)c1ccc(F)cc1F	160903024	FRORKERXTOGBLB-CYBMUJFWSA-N	320.405	2.333	70	20	DEID	
COc1ccc(N(C)C(=O)C(=O)c2c(C)nn(C)c2C)cc1F	159817113	IAHGVQPQIITUMI-UHFFFAOYSA-N	319.336	2.030	70	20	DEID	
CC(C)CCn1ccc(NC(=O)NCc2nncn2C2CC2)n1	159534649	SYZOYKHZJUYYDJ-UHFFFAOYSA-N	317.397	2.177	70	20	DEID	
CO[C@H]1CCC[C@H](C(=O)Nc2cccc(S(=O)(=O)F)c2)C1	460093725	OSQQCOYCDSBSKU-JQWIXIFHSA-N	315.366	2.489	70	20	DEID	
O=c1c2ccccc2c2ccccc2n1CCS(=O)(=O)F	883954794	ZXNARKGQKSNANK-UHFFFAOYSA-N	305.330	2.454	70	20	DEID	
CC[C@H](C#N)N(C)C(=O)c1cc(S(=O)(=O)F)ccc1Cl	1518306483	IFGNZSAZMSEPHE-MRVPVSSYSA-N	318.757	2.372	70	20	DEID	
COC(=O)C(C)(C)c1ccc(NC(=O)[C@H]2CC[C@H](N)C2)cc1	161040240	HSMWSTFUCIWIHP-AAEUAGOBSA-N	304.390	2.203	70	20	DEID	
CN(Cc1ccncc1)C(=O)N[C@H]1[C@H]2CCO[C@@H]2C12CCC2	161126946	HEQLLWGZKJVMOM-ILXRZTDVSA-N	301.390	2.181	70	20	DEID	
CC(C)N1CC[C@H](Nc2ccc3oc(N(C)C)nc3c2)C1=O	160027019	FULAWXDGWGYIPM-LBPRGKRZSA-N	302.378	2.315	70	20	DEID	
COc1ccc(C)cc1[C@H](C)NC(=O)C(=O)Nc1nocc1C	160081663	ZUOZPTICYTUFJQ-NSHDSACASA-N	317.345	2.116	70	20	DEID	
CC1(C)CCCC[C@H]1CC(=O)N[C@H](CC(N)=O)C1CCOCC1	160283029	VZYRPUGDFQFLPK-LSDHHAIUSA-N	324.465	2.380	70	20	DEID	
Cc1ccc(CNC(=O)N(C)CCC(=O)OC(C)(C)C)cn1	160454301	DWNLZADEMYHUHQ-UHFFFAOYSA-N	307.394	2.263	70	20	DEID	
COC(=O)C1(NC(=O)c2ccc(N(C)C)cc2F)CCCC1	160465877	IIYVADQSNWGXDC-UHFFFAOYSA-N	308.353	2.107	70	20	DEID	
C[C@@H](CO)N(C)C(=O)c1cccc(NC(=O)c2cccs2)c1	160549704	CFTOIOVHCJGOMN-NSHDSACASA-N	318.398	2.453	70	20	DEID	
CC[C@H](O)CCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1	160630471	NWCSMYRXVYKTFM-IRXDYDNUSA-N	319.449	2.284	70	20	DEID	
O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)N1CCC[C@@H]1CO	160693186	RCIIPSXXBVVXOQ-ARFHVFGLSA-N	304.390	2.073	70	20	DEID	
O=C(NC[C@H]1CCN(CC(F)(F)F)C1)N1CCC2(CCC2)C1	160697733	MLNCELMXYMWBJR-GFCCVEGCSA-N	319.371	2.456	70	20	DEID	
CCN(C)C(=O)c1cccc(C(=O)N(C)Cc2cccn2C)c1	160997738	ZDWZVGOPQKHUBL-UHFFFAOYSA-N	313.401	2.389	70	20	DEID	
CSC1(CNc2ccc(S(C)(=O)=O)cc2)CCOCC1	159409211	KTDWJCRPLKJKIC-UHFFFAOYSA-N	315.460	2.414	70	20	DEID	
Cc1ccc(NC(=O)NCC2CCS(=O)(=O)CC2)cc1F	159417698	FXRVPMGKQWLSKE-UHFFFAOYSA-N	314.382	2.080	70	20	DEID	
O=C(N1Cc2ccc(S(=O)(=O)Cl)cc2C1)C(F)(F)F	216492880	ASCZCPBZJKTBKC-UHFFFAOYSA-N	313.684	2.019	70	20	DEID	
C[C@@H]1OCCN(C(=O)NCCCOCCc2ccccc2)[C@@H]1C	161472461	YJOPKNLGNFNEJA-CVEARBPZSA-N	320.433	2.455	70	20	DEID	
C[C@@H]1CCCC[C@H]1N(C)C(=O)CSCCN1CCOCC1	160024102	QQUUMCXMQQAEFE-HUUCEWRRSA-N	314.495	2.089	70	20	DEID	
COc1cccc2c1CC[C@H]2NC(=O)CCn1ccccc1=O	160180441	VIHMWNFLWHHDRQ-OAHLLOKOSA-N	312.369	2.051	70	20	DEID	
COc1cc(C(=O)N2CCC[C@@H]2CN)ccc1OCC(C)C	160229155	AFUYEOHNZWYPHP-CQSZACIVSA-N	306.406	2.293	70	20	DEID	
COC(=O)c1csc(NC(=O)N2CCC[C@@H]([C@H](C)O)C2)c1	160321013	MXMYXUKDHXXQCN-VHSXEESVSA-N	312.391	2.159	70	20	DEID	
Cc1nc2n(n1)C[C@H](NC1CCN(c3ccccc3)CC1)CC2	160457425	VPZIFJBJTQKFNU-MRXNPFEDSA-N	311.433	2.160	70	20	DEID	
Cc1cc(C)n(-c2ccc(C(=O)N[C@H](CCO)C(C)C)cn2)n1	160573447	HWBJMIQSWQWZTO-OAHLLOKOSA-N	316.405	2.021	70	20	DEID	
CCOCCC1(CNC(=O)[C@@H](NC(C)=O)C2CCCC2)CCC1	160998090	IBZVSSOYKZFSIP-INIZCTEOSA-N	324.465	2.394	70	20	DEID	
CCc1nc(CS(=O)(=O)CCc2c(C)noc2C)cs1	159612227	XEHXPIIRLSJRER-UHFFFAOYSA-N	314.432	2.468	70	20	DEID	
CC[C@H]1CCC[C@@H]1NC(=O)CCNC(=O)OCC(F)(F)F	159634731	GHEOYUQGIKNAGS-UWVGGRQHSA-N	310.316	2.360	70	20	DEID	
CC(C)CCn1ccc(N[C@H](C)C(=O)NC(=O)NC(C)(C)C)n1	159913467	YSRVELSWLQSJMY-GFCCVEGCSA-N	323.441	2.354	70	20	DEID	
CCN1CCCN(C(=O)NCC(C)(C)N2CCC[C@H](C)C2)CC1	159738223	GYKFIPRLZKKIAZ-INIZCTEOSA-N	324.513	2.234	70	20	DEID	
COC[C@H](O)CCNC(=O)C(c1ccccc1)c1ccccc1	161490584	OFKGJJRJBHZTML-QGZVFWFLSA-N	313.397	2.332	70	20	DEID	
C[C@H](NC(=O)NCCO)[C@H](C)c1ccccc1C(F)(F)F	160032086	IHRVVPOLHSEWLY-UWVGGRQHSA-N	304.312	2.489	70	20	DEID	
CC(C)c1ccsc1C(=O)NC[C@@H](O)CN1CCCCC1	160140552	CFJXLPUZAAFSMC-CYBMUJFWSA-N	310.463	2.448	70	20	DEID	
CC[C@H](C(=O)NC[C@@H](O)CN1CCCCC1)c1ccccc1	160199145	VGGHZPLAMJWSLD-SJORKVTESA-N	304.434	2.143	70	20	DEID	
O=C(Nc1ccn(CC(F)(F)F)n1)N[C@@H]1CCCC[C@H]1CO	160331584	BSOZKHZQYFCMQS-VHSXEESVSA-N	320.315	2.118	70	20	DEID	
COc1cc(/C=C/C(=O)N2CCC[C@H]2CN)ccc1OC(C)C	160334506	LRPGRSWLASTBIB-HEWZJLJBSA-N	318.417	2.445	70	20	DEID	
CCNC(=O)c1cccc(NC(=O)NCC(CC)(CC)CO)c1	160387346	RXMNYAMVIIGFTM-UHFFFAOYSA-N	321.421	2.357	70	20	DEID	
C[C@@H](NCc1ccccc1CN1CCOCC1)c1cnccn1	160460854	IPLQEHKZIHFXJI-OAHLLOKOSA-N	312.417	2.160	70	20	DEID	
O=C1CN(C(=O)Nc2ccc(COC3CCCC3)cc2)CCN1	160507751	PEFJINMGZKYXTJ-UHFFFAOYSA-N	317.389	2.110	70	20	DEID	
COC[C@@H](NC(=O)NCc1cccc(N2CC=CC2)c1)C1CC1	160536512	VARBKNCOKJKKBV-QGZVFWFLSA-N	315.417	2.287	70	20	DEID	
O=C1CC[C@@H]2CN(C(=O)Nc3ccccc3Cl)CC[C@@H]2N1	160702996	SZGJEWGVOJYWDD-PWSUYJOCSA-N	307.781	2.472	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)c1cnc(OCC)c(Cl)c1	160879031	VRWZIVJVAIBWRA-SECBINFHSA-N	314.769	2.205	70	20	DEID	
CCCC(=O)N1CCC[C@H]1C(=O)NCC1(CCOCC)CC1	159402254	KYGHVCWOZZGYLM-AWEZNQCLSA-N	310.438	2.101	70	20	DEID	
CC(C)(C)OC(=O)NCCCC(=O)Nc1cccc(CO)c1	159812657	WSCFBSJXVLACBQ-UHFFFAOYSA-N	308.378	2.422	70	20	DEID	
Cc1nc(NC(=O)[C@@H](C)N(C)C[C@@H]2CCC[C@@H]2O)sc1C	159676995	WFUFBSZXMZHBIB-WXHSDQCUSA-N	311.451	2.180	70	20	DEID	
COCC[C@H](C)NC(=O)c1cc(-c2ccc(OC)cc2)n[nH]1	159726297	JRLRTWIQYJHHSI-NSHDSACASA-N	303.362	2.240	70	20	DEID	
CCCCNC(=O)[C@H](C)Sc1nnc(-c2ccccn2)n1C	159544924	NGTCWONRPHAYDK-NSHDSACASA-N	319.434	2.274	70	20	DEID	
CC(C)N(CCN(C)C)C(=O)N[C@@H]1CCCC[C@H]1n1cccn1	159366741	QEZUMQIIBHPCGD-HZPDHXFCSA-N	321.469	2.348	70	20	DEID	
CONC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1	159562087	ZCZFGPDBBXLISA-CYBMUJFWSA-N	302.296	2.119	70	20	DEID	
CC[C@@H]1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1528214681	LTKSFIANJDKOGO-ZJUUUORDSA-N	302.371	2.229	70	20	DEID	
CN(C)CCN(Cc1ccccc1F)C(=O)c1cccnc1O	161035974	DJJBWOWALLROPO-UHFFFAOYSA-N	317.364	2.130	70	20	DEID	
CN(Cc1ccccn1)C(=O)N[C@H]1[C@H]2CCO[C@@H]2C12CCC2	161036893	UNEPROISXUVMER-ILXRZTDVSA-N	301.390	2.181	70	20	DEID	
COc1ccc(NC(=O)CNC(=O)CCC2CCCC2)cc1N	161068020	SHBWMSPFDNAGLV-UHFFFAOYSA-N	319.405	2.303	70	20	DEID	
CCOCCC1(CNC(=O)[C@H](C)OC[C@@H]2CCCO2)CCC1	161245171	HPWMWBYBNBZSOZ-GJZGRUSLSA-N	313.438	2.284	70	20	DEID	
CCCn1c(C)nnc1CN1CCC[C@H]1C(=O)OC(C)(C)C	161356051	KQDZWJMTQIAHRT-ZDUSSCGKSA-N	308.426	2.303	70	20	DEID	
COC[C@H](O)CCNC(=O)Nc1cccc2ccc(C)nc12	161418895	JCVKPNMXWXWIHQ-CYBMUJFWSA-N	303.362	2.062	70	20	DEID	
COC(=O)c1csc(NC(=O)N[C@H]2CC[C@@H](CO)CC2)c1	160706056	JWUFFCZFBNKXOL-HOMQSWHASA-N	312.391	2.207	70	20	DEID	
O=C(NCC1(C2CC2)CC1)N1CCN(Cc2ccccn2)CC1	160916868	OSVAELFTLKMNLV-UHFFFAOYSA-N	314.433	2.099	70	20	DEID	
Cc1cccc(C)c1NC(=O)CN(C)Cc1cnc2cnccn12	160922953	KHXWRJLHKYGZIT-UHFFFAOYSA-N	323.400	2.417	70	20	DEID	
COC[C@@H](NC(=O)NCCOc1ccccc1Cl)C1CC1	160939492	KFGGDCJRGGTZHZ-CYBMUJFWSA-N	312.797	2.443	70	20	DEID	
Cc1ccccc1C(C)(C)CNC(=O)C(=O)Nc1nocc1C	160944068	ALBIXEDPMBTIOJ-UHFFFAOYSA-N	315.373	2.324	70	20	DEID	
CCCCn1ncc(NC(=O)NCC(=O)NC(C)(C)C)c1C	159827608	DGADYDRKJRZVRK-UHFFFAOYSA-N	309.414	2.028	70	20	DEID	
CC[C@H](NC(=O)Nc1ccc(C(=O)NC)cc1)[C@H]1CCCO1	159852480	NCNSPMQAAZGJAL-UONOGXRCSA-N	305.378	2.125	70	20	DEID	
O=C(CCC1CCCC1)NCC(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21	159917260	KWNXLJMMTBYUOI-OAGGEKHMSA-N	322.449	2.147	70	20	DEID	
O=C(CNC(=O)c1ccc(F)c(F)c1)NCC1(C2CC2)CC1	159799796	MBNOERPRUSFAMZ-UHFFFAOYSA-N	308.328	2.001	70	20	DEID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)[C@H]1CC1(Cl)Cl	185113215	LBSAFABOEYNIHS-MRVPVSSYSA-N	312.149	2.477	70	20	DEID	
Cc1cccc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)c1F	1336961509	KJRZRWAXSXHWRT-UHFFFAOYSA-N	300.286	2.373	70	20	DEID	
CC[C@@H](C#N)NC(=O)c1cc(S(=O)(=O)F)ccc1Cl	1337373951	MNHCUXGZGISWQC-ZETCQYMHSA-N	304.730	2.030	70	20	DEID	
O=C(N[C@@H]1CCC[C@@H](F)C1)c1cccc(S(=O)(=O)F)c1	1349545991	GZAOSCIQICBSCX-GHMZBOCLSA-N	303.330	2.355	70	20	DEID	
Cn1nccc1CNC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	218238630	HIOUHDDUWRWZHE-ZDUSSCGKSA-N	308.426	2.157	70	20	DEID	
CCC(CC)(CN)C(=O)N[C@@H]1CCN(C(=O)C2CCCCC2)C1	161248776	BUGWJCOZNFYQBS-OAHLLOKOSA-N	323.481	2.049	70	20	DEID	
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)[C@H]2CCCS2)C1	161268895	KZBWOPIKWAGJLF-NWDGAFQWSA-N	314.451	2.398	70	20	DEID	
O=C(NCc1cccc(F)c1)N1CCCN(CC(F)F)CC1	160160531	VWLHOXMBYRJQIP-UHFFFAOYSA-N	315.339	2.308	70	20	DEID	
CCN(CC)C(=O)c1ccc(NC(=O)C[C@H]2COC(=O)C2)cc1	160361402	RDXKTHYKYZMSAT-GFCCVEGCSA-N	318.373	2.060	70	20	DEID	
Cc1cccnc1CNC(=O)Nc1ccn(CC(F)(F)F)n1	160558994	WTZIJZIJXHTIPT-UHFFFAOYSA-N	313.283	2.471	70	20	DEID	
COc1ccc2c(c1)OC[C@@H](C(=O)N(C)Cc1cccn1C)C2	160710703	LIJZVYUBLOUGQX-AWEZNQCLSA-N	314.385	2.243	70	20	DEID	
COCCCNC(=O)Nc1ccc2c(c1)CCCN2C(C)=O	160841541	ZKEVQHZMJUBAMG-UHFFFAOYSA-N	305.378	2.144	70	20	DEID	
Cc1noc([C@@H]2COCCN2Cc2nc3cc(F)ccc3o2)n1	160934471	NOECKKUDFWSNLE-LBPRGKRZSA-N	318.308	2.232	70	20	DEID	
CNC(=O)C(C)(C)CNC(=O)[C@@H](C)Cc1ccccc1Cl	160964918	GWFZJSZJNXGMPW-NSHDSACASA-N	310.825	2.407	70	20	DEID	
O=C(C[C@@H]1CCCN1)Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1	159425269	VAPJDNHOQRDLLQ-XIRDDKMYSA-N	318.417	2.450	70	20	DEID	
Cc1ncc(CS(=O)(=O)CCc2c(C)noc2C)s1	159641021	IKWWGZCMWJGWOE-UHFFFAOYSA-N	300.405	2.214	70	20	DEID	
CNC(=O)CCCN(C)C(=O)Nc1ccc(Cl)cc1F	159931332	MLBQUIOGJVASBU-UHFFFAOYSA-N	301.749	2.469	70	20	DEID	
CSC[C@](C)(O)CNC(=O)c1ccc(COC(C)C)cc1	217712983	MGFBGKPLNMOPLE-MRXNPFEDSA-N	311.447	2.455	70	20	DEID	
CCOCCCC(=O)Nc1ccc(C)c(S(=O)(=O)F)c1	857675651	WDQJIVCPTQBGBY-UHFFFAOYSA-N	303.355	2.408	70	20	DEID	
CC(=O)N1CC[C@@H](CN(C)CCC(=O)c2ccc(C)cc2)C1	161023993	JADPUQJHGZQXDX-INIZCTEOSA-N	302.418	2.368	70	20	DEID	
C[C@H]1C[C@H](C)CN(CCCNC(=O)NOCc2cccnc2)C1	161075440	SSCMFWAEZJBEAI-GJZGRUSLSA-N	320.437	2.180	70	20	DEID	
COC(=O)CCCNC(=O)CCc1ccc(Cl)c(OC)c1	161096235	ZTTSRHBEACHBLY-UHFFFAOYSA-N	313.781	2.351	70	20	DEID	
CCOc1ccc(NC(=O)N(C)CCCC(=O)NC)c(C)c1	161109525	LPJYWOLVNSVDJY-UHFFFAOYSA-N	307.394	2.384	70	20	DEID	
COC[C@H](NCc1ccccc1CN1CCC(O)CC1)C(C)C	161213051	VYMKYAITLRZEPD-IBGZPJMESA-N	320.477	2.404	70	20	DEID	
C[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)COC[C@H]1CCCO1	161219626	JPMQWLYVNXLASL-SWLSCSKDSA-N	323.364	2.099	70	20	DEID	
COc1ccc(NC(=O)c2ncoc2[C@@H]2CCCO2)cc1N	161297930	UOAFJEWXXPHMAO-LBPRGKRZSA-N	303.318	2.369	70	20	DEID	
COCc1ccc([C@@H]2CCCN2C(=O)c2ccn(C)c(=O)c2)o1	161424682	IFFJQWYULCFMEI-AWEZNQCLSA-N	316.357	2.102	70	20	DEID	
N[C@H]1CCC[C@@H](NC(=O)c2ccn(-c3cccc(F)c3)n2)C1	161482737	GYPCGEXUBBHPGK-QWHCGFSZSA-N	302.353	2.011	70	20	DEID	
CC(C)(C)OC(=O)N1CC[C@@]2(CCN(c3ncc(F)cn3)C2)C1	160023674	ZKTHISFXZMZNHJ-MRXNPFEDSA-N	322.384	2.453	70	20	DEID	
Cn1nnnc1SCCC(=O)NCC(C)(C)C1CCCC1	160051009	SERCJVMAPKCQTN-UHFFFAOYSA-N	311.455	2.025	70	20	DEID	
Cc1nc(NC(=O)[C@@H](C)OC[C@H]2CCCO2)cc(C2CC2)n1	160066945	NUHMTTFYLXIFAX-ZWNOBZJWSA-N	305.378	2.185	70	20	DEID	
Cc1nn(C)c(C)c1OCC(=O)Nc1ccnn1C(C)(C)C	160197638	LWSMMMQQBOTZBV-UHFFFAOYSA-N	305.382	2.006	70	20	DEID	
O=C1NC2(CCSCC2)C(=O)N1Cc1cnc(Cl)s1	160263420	ADMJVRKXVQMUMH-UHFFFAOYSA-N	317.823	2.114	70	20	DEID	
COC(=O)CN(CC1CCN(C(=O)C(C)(C)C)CC1)C(C)C	160371075	CIWVUBRXJAHAQI-UHFFFAOYSA-N	312.454	2.155	70	20	DEID	
CS[C@H](C)CNC(=O)Nc1ccc(CC(=O)N(C)C)cc1	160550367	SMLQQEBPPADKFB-LLVKDONJSA-N	309.435	2.190	70	20	DEID	
O=C1CCCC[C@H]1[C@@H]1COCCN1C(=O)c1ccccc1F	160607219	NDQGVHRVMFPQOM-ZFWWWQNUSA-N	305.349	2.426	70	20	DEID	
CCOc1ccccc1[C@H](C)NCC(=O)NCC(F)(F)F	160607303	QFGQJDQEXNGBBC-JTQLQIEISA-N	304.312	2.414	70	20	DEID	
CS(=O)(=O)Cc1ccc(NC(=O)[C@@H]2CCCS2)cc1F	160608132	FLVQVYKQZIWFDZ-LBPRGKRZSA-N	317.407	2.204	70	20	DEID	
Cc1ccc(C)c([C@@H]2CCCN2C(=O)[C@@H](C)S(C)(=O)=O)c1	160657970	RIXNUVHCWMLMCZ-HIFRSBDPSA-N	309.431	2.400	70	20	DEID	
O=C1C[C@H](CC(=O)N2CCn3cccc3[C@@H]2c2ccccc2)CO1	160704851	OEDWHLKTJVAOMV-LIRRHRJNSA-N	324.380	2.373	70	20	DEID	
O=C(CCn1ccccc1=O)N[C@@H]1CCOC2(CCCCC2)C1	160783746	RKXKOPFHKANNNN-OAHLLOKOSA-N	318.417	2.237	70	20	DEID	
CCNC(=O)N1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1	160840969	PAYMPIOESNEJKH-BZUAXINKSA-N	321.465	2.467	70	20	DEID	
CC[C@H](C)[C@@H](O)CNC(=O)NC[C@@H]1CCCCN1CC(C)C	160953301	YZRFUSVLYSUDPJ-JYJNAYRXSA-N	313.486	2.203	70	20	DEID	
CC(C)(C)C(=O)NCCC(=O)N1CCc2c(F)cccc2C1	160967688	LDJDTWJRDKHTIF-UHFFFAOYSA-N	306.381	2.263	70	20	DEID	
CC[C@H](NC(=O)c1cnc(C(F)(F)F)nc1)[C@@H]1CCCO1	159415401	NRNNFABEIKVZRS-UWVGGRQHSA-N	303.284	2.183	70	20	DEID	
Cc1nc(NC(=O)CCNC(=O)C(C)(C)C)cc(C2CC2)n1	159866368	ZQFTXLWADSFHML-UHFFFAOYSA-N	304.394	2.153	70	20	DEID	
CN(C[C@H]1CCC[C@H]1O)C(=O)NC1CCN(C(C)(C)C)CC1	159739245	CDZLCWRMYOXMQW-UKRRQHHQSA-N	311.470	2.052	70	20	DEID	
CCOC(=O)CCc1ccc(NC(=O)NCCCOC)cc1	159581136	KJAWYYHHLKXJOB-UHFFFAOYSA-N	308.378	2.340	70	20	DEID	
CCc1nnc(NC(=O)c2ccc(S(=O)(=O)F)cc2)s1	864240430	VQLREOCFBQTIFW-UHFFFAOYSA-N	315.351	2.011	70	20	DEID	
Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[C@@H]1CCC[C@H]1O	161123779	WUBOQRHHEFSPMF-IAGOWNOFSA-N	313.401	2.061	70	20	DEID	
CNC(=O)c1ccc(NC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)cc1	161395353	MLTVCMPPOHPJMW-CABCVRRESA-N	317.389	2.125	70	20	DEID	
CCc1noc(C)c1NC(=O)C(=O)NCc1ccc(C)c(F)c1	160025684	GCSGNVZFSLWDLR-UHFFFAOYSA-N	319.336	2.248	70	20	DEID	
CN(CCCn1ccnc1)C(=O)c1csc([C@H]2CCCO2)n1	160068401	JIVCKWKFQWLYOM-CYBMUJFWSA-N	320.418	2.353	70	20	DEID	
CC(C)OCCS(=O)(=O)NCCOc1ccccc1Cl	160076125	YEBYRENCJKSTAP-UHFFFAOYSA-N	321.826	2.063	70	20	DEID	
COC(=O)[C@H](C)NC(=O)c1cnn(-c2cc(C)ccc2C)c1C	160080220	UPZVSUQLUHETEX-LBPRGKRZSA-N	315.373	2.089	70	20	DEID	
Cc1csc(CCCCNC(=O)NCc2cnn(C)c2C)n1	160944691	CSTJSHCPJDWVRE-UHFFFAOYSA-N	321.450	2.316	70	20	DEID	
Cn1cnnc1CSc1nnc(-c2ccc(F)cc2)n1C	160969748	RTWIACBCQXFRHE-UHFFFAOYSA-N	304.354	2.042	70	20	DEID	
CC(C)(C)c1cnc(CNC(=O)c2cccc3[nH]c(=O)oc23)o1	159845660	XMUQSXVQAFBRDT-UHFFFAOYSA-N	315.329	2.337	70	20	DEID	
CCC(C)(C)NC(=O)[C@H](SCCN1CCOCC1)C(C)C	159914116	VGVOYJWLFCKIMC-CQSZACIVSA-N	316.511	2.381	70	20	DEID	
CCN1CCCN(C(=O)NCCCN(C(C)C)C(C)C)CC1	159937563	JHYVGFOLNLYQKL-UHFFFAOYSA-N	312.502	2.233	70	20	DEID	
CN(CCSc1ccc(Cl)cc1)CC(C)(CO)CO	159587367	ZMXSRJYEFZSOCA-UHFFFAOYSA-N	303.855	2.355	70	20	DEID	
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)C[C@@H]1OCCc2ccccc21	217205111	KZYYBIBBUPSFKS-ZENOOKHLSA-N	318.417	2.110	70	20	DEID	
O=C(c1cccc(S(=O)(=O)F)c1)N1Cc2ccccc2CO1	1121095381	PXPVBADDHXSDPM-UHFFFAOYSA-N	321.329	2.432	70	20	DEID	
O=C(Cc1ccc(S(=O)(=O)F)cc1)N[C@@H]1CCC(F)(F)C1	1338765156	KCXQDSJZZCXZNJ-SNVBAGLBSA-N	321.320	2.191	70	20	DEID	
Cc1ccccc1C[C@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1520703290	QDDALQSNXPJIPO-NSHDSACASA-N	324.377	2.342	70	20	DEID	
O=C(NCCOc1ccccc1)N[C@H]1[C@@H]2CCO[C@@H]2C12CCC2	161037976	CCCFQEUVSAOPMQ-JYJNAYRXSA-N	316.401	2.322	70	20	DEID	
C[C@H](C(=O)N1CCOC[C@@H]1C1CC1)N1CCc2ccccc2C1	161348528	WEQITICULFDZIA-RDTXWAMCSA-N	314.429	2.071	70	20	DEID	
COc1ccc(CC[C@H](C)NC(=O)c2cccc(=O)n2C)cc1	161390146	RVGSHJBRYRNOSJ-ZDUSSCGKSA-N	314.385	2.145	70	20	DEID	
COc1cccc2c1CC[C@@H]2NC(=O)[C@H](C)OC[C@@H]1CCCO1	160163194	ZLTLBCZTONOHSL-XEZPLFJOSA-N	319.401	2.383	70	20	DEID	
Cc1nn(-c2ccc(C(=O)N3CC[C@@H](N)C3)cc2)c(C)c1Cl	160210292	IQKGHZXPFXBZMX-CYBMUJFWSA-N	318.808	2.316	70	20	DEID	
CCCC1(CNC(=O)NCCNC(=O)c2cccnc2)CCC1	160245544	YFTJBQBZAKNFIY-UHFFFAOYSA-N	318.421	2.081	70	20	DEID	
Cc1c(CNC(=O)NCCCCN2CCC[C@H](C)C2)cnn1C	160271357	RGNASISCZHYHKM-AWEZNQCLSA-N	321.469	2.040	70	20	DEID	
C[C@H](CC(=O)NCC(=O)Nc1cccc(F)c1)c1ccncc1	160284256	SYKYIKBYRXTEMB-GFCCVEGCSA-N	315.348	2.469	70	20	DEID	
COC[C@H](NC(=O)Nc1ccc([S@](C)=O)c(F)c1)C1CC1	160577056	DHUAUCUYUCBSPE-LAJNKCICSA-N	314.382	2.110	70	20	DEID	
COC[C@](C)(CC(=O)OC)NCCC(=O)c1ccc(C)cc1	160664726	UDXSMGKKFGUQHQ-KRWDZBQOSA-N	307.390	2.126	70	20	DEID	
CC[C@](C)(NC(=O)N[C@@H](C)Cn1ccnc1)c1nccs1	160795496	QVFWORCQWSYNHV-FZMZJTMJSA-N	307.423	2.353	70	20	DEID	
CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCC[C@@H]2CC)c1	159645906	NWGAKJIXPYZHFB-WFASDCNBSA-N	324.446	2.293	70	20	DEID	
CC(=O)N1CC[C@H](NC(=O)COc2cc(C)ccc2C(C)C)C1	159464783	FKEDMAJYMGYXOR-HNNXBMFYSA-N	318.417	2.234	70	20	DEID	
Cc1cnccc1CCNC(=O)N[C@@H]1CCO[C@@H](C2CC2)C1	159885960	SOANCGRJSGFXPU-HZPDHXFCSA-N	303.406	2.189	70	20	DEID	
Cc1ccc(NC(=O)[C@@H]2CCCCO2)cc1S(=O)(=O)F	857675720	YSLSMIMUOSGKNC-NSHDSACASA-N	301.339	2.161	70	20	DEID	
O=C(CCc1ccc(S(=O)(=O)F)cc1)N1CC[C@@H](CF)C1	1338989802	ZJRALGALQLZFIF-LBPRGKRZSA-N	317.357	2.095	70	20	DEID	
CCc1n[nH]c(-c2ccccc2NC(=O)c2ccnc(C)n2)n1	161053484	JWJWWMZTUSIHAG-UHFFFAOYSA-N	308.345	2.385	70	20	DEID	
Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[C@H]1CCC[C@@H]1O	161123669	WUBOQRHHEFSPMF-IRXDYDNUSA-N	313.401	2.061	70	20	DEID	
CC(C)N1C[C@H](C)[C@@H](NC(=O)c2cc(F)cc3[nH]cnc23)C1	161313354	BLKDINOYJZIKJN-HZMBPMFUSA-N	304.369	2.161	70	20	DEID	
CC[C@@H](C)OCC(=O)Nc1ccc(CCN2CCOCC2)cc1	160266113	CTUXXYHLPKHDIQ-OAHLLOKOSA-N	320.433	2.315	70	20	DEID	
Cc1ccc2c(c1)[C@@H](NC(=O)NCc1ncccc1F)CO2	160534575	SWHZPKGNIJWAHC-AWEZNQCLSA-N	301.321	2.462	70	20	DEID	
CNC(=O)CCNC(=O)N[C@@H](C)Cc1ccc(C(C)C)cc1	160663950	ICKQNLGFKCSLMF-ZDUSSCGKSA-N	305.422	2.176	70	20	DEID	
CCc1nc(NC(=O)CN(C)C[C@@H]2CCC[C@@H]2O)sc1C	159803001	ROXOWROURPGDIB-AAEUAGOBSA-N	311.451	2.045	70	20	DEID	
COc1cc(F)c([C@@H](C)NC(=O)[C@H]2CCCNC2)cc1OC	159964545	RGKVKCKZIWRSCA-MNOVXSKESA-N	310.369	2.020	70	20	DEID	
CCN1CCCN(C(=O)NCc2ccc(C)cc2OC)CC1	159975669	NDMXSEPRKGEJOO-UHFFFAOYSA-N	305.422	2.241	70	20	DEID	
CC1(O)CCN(CC(=O)Nc2ccc(F)c(Cl)c2)CC1	161196682	PKJQCHMSJATVEY-UHFFFAOYSA-N	300.761	2.264	70	20	DEID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)[C@@H]1CC1(Cl)Cl	185113195	LBSAFABOEYNIHS-QMMMGPOBSA-N	312.149	2.477	70	20	DEID	
CSCC[C@H](C)NC(=O)c1cccc(S(=O)(=O)F)c1	1120947948	OYPGESCTCQIKEV-VIFPVBQESA-N	305.396	2.216	70	20	DEID	
CC(C)(CC(F)(F)F)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1346929534	QPEVSJYUDAOFGT-UHFFFAOYSA-N	316.276	2.134	70	20	DEID	
C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)CCC2)C1CCOCC1	161085044	YFOYQYRIIBZNLG-LBPRGKRZSA-N	316.401	2.045	70	20	DEID	
O=C(Cn1nc(C2CC2)nc1C1CC1)NC(C1CC1)C1CC1	161437100	XFADUKAQAGJIIW-UHFFFAOYSA-N	300.406	2.338	70	20	DEID	
COCC(C)(C)c1nc(-c2cnn3c(C)cc(C)nc23)no1	161480159	JLNKLYUHTPMSFA-UHFFFAOYSA-N	301.350	2.320	70	20	DEID	
CCCc1cc(N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)n2ncnc2n1	160039528	FCKXLYJEJMYOEO-YUELXQCFSA-N	313.405	2.446	70	20	DEID	
COCCOCCN(Cc1ccccc1)C(=O)c1cc(C)n[nH]1	160217136	NDFJHEYQYFFZON-UHFFFAOYSA-N	317.389	2.024	70	20	DEID	
CSCC[C@H](N)C(=O)NC[C@@H](O)c1cc2ccccc2s1	160276941	JAROVUDELYDATI-NWDGAFQWSA-N	324.471	2.131	70	20	DEID	
CCCC(=O)N1CCCC[C@@H]1C(=O)N1CCCN(CCC)CC1	160368411	PCHFQDLQJNYKFX-MRXNPFEDSA-N	323.481	2.112	70	20	DEID	
CCN1CC[C@@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCO[C@H](C2CC2)C1	160380144	MVYRNLPWGMERBT-QZWWFDLISA-N	321.465	2.212	70	20	DEID	
CCN(CC)CCCNC(=O)N[C@@H]1COc2ccc(C)cc21	160661895	FRRXCAVLIXNUCS-OAHLLOKOSA-N	305.422	2.460	70	20	DEID	
C[C@H](CC(=O)Nc1ccc(-n2cncn2)nc1)c1ccncc1	159413140	AADWLYPPEAKYAD-GFCCVEGCSA-N	308.345	2.190	70	20	DEID	
O=C(NC[C@@H]1CSCCS1)N[C@H]1CCO[C@H](C2CC2)C1	159828313	WACKRPSZROYXTP-XQQFMLRXSA-N	316.492	2.092	70	20	DEID	
CC(=O)c1cccc(NC(=O)C(=O)N2CCC3(CCC3)C2)c1	159439673	WIJSWQCEPGAIER-UHFFFAOYSA-N	300.358	2.230	70	20	DEID	
CC[C@H](CCO)NC(=O)c1ccc(OC2CCOCC2)cc1	159447083	LNJWPSSXXHFEBB-CQSZACIVSA-N	307.390	2.135	70	20	DEID	
COc1cc(F)c(C(=O)NCC2(N)CCCCC2)cc1OC	159483815	GHAKODYXZRJLRJ-UHFFFAOYSA-N	310.369	2.234	70	20	DEID	
CC(=O)Nc1cc(NC(=O)c2cnc3c(c2)ncn3C)ccc1C	159701284	XPZPTAIFPXRYNI-UHFFFAOYSA-N	323.356	2.487	70	20	DEID	
CCc1n[nH]c(=O)c(CNC(=O)N[C@@H]2CCCC2(C)C)c1CC	159580883	ZZLJFRICNVUZDO-CQSZACIVSA-N	320.437	2.273	70	20	DEID	
CSCC[C@@H](C)N(C)S(=O)(=O)c1ccc(N)cc1F	161040771	HRDGIZABJYYCLM-SECBINFHSA-N	306.428	2.170	70	20	DEID	
CC[C@H](Cc1ccccc1)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1354460844	FCOLTNCUHNTDBM-GFCCVEGCSA-N	324.377	2.424	70	20	DEID	
COc1ccc(CCNC(=O)NCCc2ccc(O)cc2)cc1	217506863	SBIMINKFAQLPSH-UHFFFAOYSA-N	314.385	2.485	70	20	DEID	
CO[C@@H]1CCC[C@H]1C(=O)Nc1ccc(C)c(S(=O)(=O)F)c1	1121227029	OBUDEJXYNCWGJV-VXGBXAGGSA-N	315.366	2.407	70	20	DEID	
COCC[C@@H](C)CNC(=O)c1ccc(S(=O)(=O)F)cc1C	1349718802	UWIMKQKESOVQCT-SNVBAGLBSA-N	317.382	2.056	70	20	DEID	
CC1CCC(N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1262673070	XZMZZPVRUIXMAE-UHFFFAOYSA-N	302.371	2.324	70	20	DEID	
CC(C)[C@@H](NC(=O)C(F)(F)C(F)F)C(=O)OC(C)(C)C	218085521	AFDQRSXKBYDPDV-SSDOTTSWSA-N	301.280	2.369	70	20	DEID	
COc1ccc(CCNC(=O)N[C@@H]2CCOC(C)(C)C2)cc1	161007601	PZQNJYVRSJFTOX-CQSZACIVSA-N	306.406	2.495	70	20	DEID	
Cc1cc(C(=O)NC(C)(C)CN(C)Cc2ccccc2)n(C)n1	161241846	JSSNDNPLIVGHHD-UHFFFAOYSA-N	314.433	2.369	70	20	DEID	
O=C(N[C@H]1CCN(c2ccccn2)C1)c1cc2ccccn2c1	161286616	IDZQSUSOHUSKCP-HNNXBMFYSA-N	306.369	2.343	70	20	DEID	
N[C@H]1CCC[C@H](NC(=O)c2ccc(NC(=O)C3CC3)cc2)C1	161356329	KDZPHIJAWNWDPR-ZFWWWQNUSA-N	301.390	2.035	70	20	DEID	
COC(=O)c1csc(NC(=O)N2CCC[C@@H]([C@@H](C)O)C2)c1	160321140	MXMYXUKDHXXQCN-NXEZZACHSA-N	312.391	2.159	70	20	DEID	
CCO[C@@H](C)c1nc(CC(=O)N[C@@H](CO)CC(C)C)cs1	160899579	YOEDFGQNYDQNMS-NWDGAFQWSA-N	314.451	2.306	70	20	DEID	
CCOCCNC(=O)[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1	160903517	ZXKAVUUJJDKULL-OLZOCXBDSA-N	314.426	2.223	70	20	DEID	
Cc1occc1C(=O)NCC(=O)N1CCC(OC(C)(C)C)CC1	160942363	ZVYDKPKEDFJGBT-UHFFFAOYSA-N	322.405	2.124	70	20	DEID	
Cc1onc(-c2ccncc2)c1C(=O)N[C@@H](C)[C@H]1CCOC1	160955562	ZVQUCUCNBZKTIA-GWCFXTLKSA-N	301.346	2.200	70	20	DEID	
CCSCCN1CCN(C(=O)Cc2ccccc2F)CC1	159692559	GJTLTHAORRFKRO-UHFFFAOYSA-N	310.438	2.266	70	20	DEID	
C[C@H](C(=O)N(C)Cc1cccc(F)c1)N(C)C[C@@H]1CCC[C@@H]1O	159698378	PRBGQSCFKVXMGK-KMFMINBZSA-N	322.424	2.265	70	20	DEID	
Cc1c(CNC(=O)NCCc2c(F)cccc2F)cnn1C	159922295	BAADFMZSQBICPN-UHFFFAOYSA-N	308.332	2.049	70	20	DEID	
CCN(Cc1ccccc1)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1515237029	AZIXLLONXZJFLM-UHFFFAOYSA-N	310.350	2.335	70	20	DEID	
Cc1ccc(NC(=O)N2CCNC(=O)[C@@H]2c2ccccc2)cn1	161354051	DSWJWXMXTGAICX-HNNXBMFYSA-N	310.357	2.095	70	20	DEID	
CC(=O)NC1CCC(NCc2ccc3c(c2)OCCCO3)CC1	161418529	DDQRITRNNQHAAP-UHFFFAOYSA-N	318.417	2.385	70	20	DEID	
CC1(C)C[C@@H](NC(=O)NCCc2ccc3c(c2)OCO3)CCO1	161466666	RIPGUFGGBMXYLI-ZDUSSCGKSA-N	320.389	2.215	70	20	DEID	
COc1ccc(F)cc1[C@@H](C)NC(=O)c1cccc(=O)n1C	160083783	OPTNAOJPFAQBHL-SNVBAGLBSA-N	304.321	2.024	70	20	DEID	
O=C(NC[C@@H](O)CN1CCCCC1)c1cccc(Cl)c1F	160224162	XGSWXCUIHPYVEN-LLVKDONJSA-N	314.788	2.056	70	20	DEID	
COc1c(CNC(=O)Nc2cc(F)cc(F)c2)c(C)nn1C	160361424	GZBHMCOWDNGORM-UHFFFAOYSA-N	310.304	2.337	70	20	DEID	
Cc1nc2n(n1)C[C@H](N[C@@H](C)c1ccc(F)cc1N(C)C)CC2	160509672	BPURFPFCWWUGFH-SMDDNHRTSA-N	317.412	2.457	70	20	DEID	
O=C1CC[C@@H]2CN(c3cc(Cl)nc(C4CC4)n3)CC[C@@H]2N1	160514765	WOTQYDWSPDDLEK-MNOVXSKESA-N	306.797	2.112	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)CCC(=O)c1ccc(C)s1	160772579	HSPQTJVVAAXXLQ-JTQLQIEISA-N	311.403	2.477	70	20	DEID	
C[C@@H]1CN(C)c2ccccc2N(C(=O)C[C@H]2COC(=O)C2)C1	160793984	KRCRMCOPXKFZMY-CHWSQXEVSA-N	302.374	2.059	70	20	DEID	
O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)N1CCC(CO)CC1	160865440	GKKJUTWFAXYOCS-SJORKVTESA-N	318.417	2.321	70	20	DEID	
C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cc(F)cc2cccnc12	160910697	ZTFZIDGDOUYQOA-CMPLNLGQSA-N	315.348	2.100	70	20	DEID	
C[C@H]1CCCN(CC2CCN(C(=O)C(C)(C)C)CC2)[C@@H]1CO	160946099	XXTCORFKASHJGV-GOEBONIOSA-N	310.482	2.364	70	20	DEID	
COc1ccc(S(=O)(=O)N(C)[C@@H]2CCSC2)cc1Cl	159409627	STTZBGGXENSQNZ-SECBINFHSA-N	321.851	2.475	70	20	DEID	
CCC(CC)(CNCC(=O)NCc1ccccc1C)C(=O)OC	159658996	PFMHMHRARSTGFA-UHFFFAOYSA-N	320.433	2.180	70	20	DEID	
CCN(Cc1nc2ccccc2c(=O)[nH]1)Cc1c(C)n[nH]c1C	159877263	NYKDXDBVTXSBSB-UHFFFAOYSA-N	311.389	2.285	70	20	DEID	
O=C(Nc1cccnc1)C(=O)N[C@H]1CCCOc2ccccc21	159498492	LQMKFJCHDQVXHF-AWEZNQCLSA-N	311.341	2.050	70	20	DEID	
O=C(N[C@H]1CCC[C@H]2OCC[C@H]12)c1cc2ccccc2c(=O)[nH]1	159755591	DWRDKRRDONABRH-IJEWVQPXSA-N	312.369	2.216	70	20	DEID	
C[C@H](NC(=O)NCC1(CO)CCOCC1)[C@H](C)c1ccccc1	159389733	MUARZQGVARTYNT-GJZGRUSLSA-N	320.433	2.267	70	20	DEID	
COCCC1(C(=O)Nc2nc(C)c(C(=O)OC)s2)CCC1	159778388	BCFVVWRMDANVMD-UHFFFAOYSA-N	312.391	2.383	70	20	DEID	
O=C(Nc1cccc(S(=O)(=O)F)c1)c1cc(C2CC2)no1	460091584	JYZFIFPEHRZOJS-UHFFFAOYSA-N	310.306	2.463	70	20	DEID	
O=C(Nc1ccc2c(n1)CCC2)c1cccc(S(=O)(=O)F)c1	1337360858	KRORAMZBHNZCQQ-UHFFFAOYSA-N	320.345	2.481	70	20	DEID	
COC(=O)CCCN(C)C(=O)c1ccc(C(F)(F)F)cn1	161099610	IAZZIGOKHKYOPX-UHFFFAOYSA-N	304.268	2.126	70	20	DEID	
CN(C)C(=O)Cc1ccc(NC(=O)N(C)[C@@H]2CCSC2)cc1	161121605	KNWPQKHPZWXCGM-CQSZACIVSA-N	321.446	2.287	70	20	DEID	
Cc1cnccc1CCNC(=O)c1cccc(-c2ncn[nH]2)c1	161322980	KRRHNROUWPKNEU-UHFFFAOYSA-N	307.357	2.148	70	20	DEID	
CSCC[C@@H](N)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21	161397433	WRWRFTMBTRRYMY-OLZOCXBDSA-N	308.447	2.485	70	20	DEID	
Cc1cc(C(=O)NC(C)C)ccc1NC(=O)N[C@@]1(C)CCOC1	161505988	AEYRVQCFHPXSRX-KRWDZBQOSA-N	319.405	2.434	70	20	DEID	
CCC[C@H](C)N1C[C@H](C(=O)NCCc2cccc(O)c2)CC1=O	160237576	CLPKNOAMQBZBJG-DZGCQCFKSA-N	318.417	2.088	70	20	DEID	
CN(C)[C@H]1CCN(C(=O)Nc2ccc(O[C@H]3CCOC3)cc2)C1	160354937	PKJRSORSLDBBBZ-HOCLYGCPSA-N	319.405	2.022	70	20	DEID	
COc1cc(C(=O)N(C)Cc2cccn2C)cc2c1OCCO2	160609257	IZKXWEFJUMYYDH-UHFFFAOYSA-N	316.357	2.077	70	20	DEID	
Cc1noc(C)c1[C@H](C)CC(=O)N1CCOC2(CCOCC2)C1	160630222	CMDILSMSNYXJJG-GFCCVEGCSA-N	322.405	2.193	70	20	DEID	
CCOc1ccccc1OCC(=O)NOCc1cccnc1	160757239	JEOUUPZPLWUBCW-UHFFFAOYSA-N	302.330	2.107	70	20	DEID	
CC(C)C[C@H](CO)NC(=O)CSc1nccn1C(C)(C)C	160772788	UCSFJMAXPIUAEO-GFCCVEGCSA-N	313.467	2.253	70	20	DEID	
CC(C)C[C@H](CO)NC(=O)[C@H](C)CN(C)C(=O)OC(C)(C)C	160893884	WVDZIRWCTMOGKG-CHWSQXEVSA-N	316.442	2.013	70	20	DEID	
O=C(CNCC1CC1)Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1	159422188	ZEMOEHVLNKCMQO-DLBZAZTESA-N	318.417	2.307	70	20	DEID	
Cc1nc(CCNC(=O)CCNC(=O)C2CCCCC2)cs1	159426012	OCJCPKCKCOUYLX-UHFFFAOYSA-N	323.462	2.197	70	20	DEID	
CC(=O)N1CC[C@@H](NC(=O)Cc2c[nH]c3ccc(Cl)cc23)C1	159433455	PLFOFFPZPQJWFK-CYBMUJFWSA-N	319.792	2.101	70	20	DEID	
Cc1ccc([C@@H](O)CNS(=O)(=O)c2cc(C)ccc2F)cc1	159437973	BLVGEVAMLHTZME-HNNXBMFYSA-N	323.389	2.454	70	20	DEID	
COC(=O)C1(N(C)CC(=O)N[C@@H]2CCCC[C@@H]2C)CCCC1	159439723	OUBUGXRBPVFYSA-UONOGXRCSA-N	310.438	2.099	70	20	DEID	
CC(C)[C@H]1OCCC[C@@H]1CNC(=O)N(CCN(C)C)C(C)C	159463909	BHGVRBXYMPQYEX-HZPDHXFCSA-N	313.486	2.419	70	20	DEID	
COc1ccccc1OCCC(=O)NCC1(N)CCCCC1	159506201	QUZMVWXLHYVETG-UHFFFAOYSA-N	306.406	2.242	70	20	DEID	
C[C@@H]1OCCN(C(=O)NCc2cccc(CN(C)C)c2)[C@H]1C	159900962	ZMBHFJICVKNSLW-KBPBESRZSA-N	305.422	2.067	70	20	DEID	
O=C(N[C@H]1CCOC2(CCCC2)C1)[C@@H]1CSCCS1	159917914	SBIKFMUASQWCCX-RYUDHWBXSA-N	301.477	2.443	70	20	DEID	
COc1cccnc1N(C)S(=O)(=O)c1cc(F)ccc1F	159552942	ZIVRRBFARGLLSN-UHFFFAOYSA-N	314.313	2.194	70	20	DEID	
O=C(C[C@H]1COC(=O)C1)Nc1ccc(-c2csnn2)cc1	159555298	IIIKVKADRPCNII-SECBINFHSA-N	303.343	2.097	70	20	DEID	
CCN1CCCN(C(=O)N[C@H](C)CCc2ccc(O)cc2)CC1	159573096	MYKRDJIVLRBDJI-OAHLLOKOSA-N	319.449	2.451	70	20	DEID	
C=CC1CCN(C(=O)Cc2ccc(S(=O)(=O)F)cc2)CC1	1340307764	KKDWFLPJNUCPEB-UHFFFAOYSA-N	311.378	2.312	70	20	DEID	
O=C(Cc1ccc(S(=O)(=O)F)cc1)N1CC[C@H](C2CC2)C1	1517880278	XEIXJAHMXMPTPX-ZDUSSCGKSA-N	311.378	2.146	70	20	DEID	
O=S(=O)(F)c1ccc(N[C@H](C2CC2)[C@@H]2CCCOC2)nc1	1551194028	JDWRGSNRHFBALG-BXUZGUMPSA-N	314.382	2.357	70	20	DEID	
CCO[C@@H]1C[C@@H](O)C12CCN(CCCN1CCCCC1)CC2	161376022	DIDYGUQEJOVMKF-IAGOWNOFSA-N	310.482	2.114	70	20	DEID	
O=C(NCCCn1cnc2ccccc21)NO[C@@H]1CCCCO1	161406295	RHKBRDXDMOYAOM-OAHLLOKOSA-N	318.377	2.184	70	20	DEID	
COC[C@@H](O)CCNC(=O)C1CCC(c2ccccc2)CC1	161413564	FXJGRWNKJUGDCK-JCYILVPMSA-N	305.418	2.474	70	20	DEID	
Cc1conc1NC(=O)C(=O)N1CCC[C@H]1c1cccs1	160340646	BLCJANWDJFEWHS-JTQLQIEISA-N	305.359	2.347	70	20	DEID	
CCC(CC)(CNC(=O)N[C@@H](C)C1CCOCC1)C(=O)OC	160466128	PMHOKUCSDWXVLJ-LBPRGKRZSA-N	314.426	2.080	70	20	DEID	
COc1ncccc1NC(=O)NC[C@]1(O)CCc2ccccc21	160542850	GAYWFPZEPPKVJL-QGZVFWFLSA-N	313.357	2.046	70	20	DEID	
COC[C@@](C)(CC(=O)OC)NCCC(=O)c1ccc(C)cc1	160664865	UDXSMGKKFGUQHQ-QGZVFWFLSA-N	307.390	2.126	70	20	DEID	
CC[C@]1(C)C[C@H]1C(=O)NCCNC(=O)c1ccc(C)c(F)c1	160863427	JKSPPUMCXVKQJM-SUMWQHHRSA-N	306.381	2.416	70	20	DEID	
C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1cc(F)cc2cccnc12	160910434	ZTFZIDGDOUYQOA-JQWIXIFHSA-N	315.348	2.100	70	20	DEID	
COC[C@H](O)CCNC(=O)COc1ccc(C(C)C)c(C)c1	160938956	JWAHYWGEKJXWCZ-CQSZACIVSA-N	309.406	2.011	70	20	DEID	
CC(C)N(C(=O)[C@H](C)SCCN1CCOCC1)C(C)C	159874168	JITHLSQLLWZZJV-AWEZNQCLSA-N	302.484	2.086	70	20	DEID	
CCO[C@@H]1CCCN(C(=O)Cc2cccc(C(=O)OC)c2)C1	159938148	ANSGNPFQVNJEII-OAHLLOKOSA-N	305.374	2.043	70	20	DEID	
COc1cccnc1N(C)S(=O)(=O)Cc1ccccc1F	159552792	OIJAIBVRJXBRHL-UHFFFAOYSA-N	310.350	2.196	70	20	DEID	
CC(C)N(CCN(C)C)C(=O)N[C@H]1CCOC2(CCCC2)C1	159758056	FRJBHVXTUNJZMC-HNNXBMFYSA-N	311.470	2.460	70	20	DEID	
CC[C@@H](C)OCC(=O)N1CCCN(C(=O)c2ccsc2)CC1	159962974	RCMDSAVPAUOLPN-CYBMUJFWSA-N	324.446	2.238	70	20	DEID	
CC[C@H](C)[C@H](CNC(=O)c1cccc(S(=O)(=O)F)c1)OC	1338817489	OZYXJBGCUSAYCQ-GWCFXTLKSA-N	317.382	2.136	70	20	DEID	
Cc1cc([C@H](C)NC(=O)c2cc(S(=O)(=O)F)c[nH]2)c(C)o1	1336991088	HYJISDPMSPPKDX-QMMMGPOBSA-N	314.338	2.374	70	20	DEID	
C[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC12CCC2	1346642973	WTXCXEJPJBUUOL-SNVBAGLBSA-N	314.382	2.325	70	20	DEID	
O=S(=O)(F)c1ccc(NC[C@H]2C[C@H]2C2CCOCC2)nc1	1550639753	QYIXOMMPTCADIY-YPMHNXCESA-N	314.382	2.214	70	20	DEID	
O=C(Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1)[C@@H]1CCCNC1	161040835	NFYOQILUMSTLND-COXVUDFISA-N	318.417	2.307	70	20	DEID	
COC[C@H](O)CCNC(=O)/C=C/c1ccc(OC(C)C)cc1	161090730	LYHGSHLENRLKNA-RZIFZGNASA-N	307.390	2.001	70	20	DEID	
COCCC1(C(=O)NCc2ccccc2OCCN(C)C)CC1	161091811	ROVXPCXNOKEZFM-UHFFFAOYSA-N	320.433	2.060	70	20	DEID	
Fc1ccccc1OCCN1CCN(Cc2ccncc2)CC1	161161178	KJMZUINVRWUQRV-UHFFFAOYSA-N	315.392	2.417	70	20	DEID	
CCCCC1CCC(C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)CC1	161260316	GYBFOUPTWAABMQ-WUCCLRPBSA-N	310.438	2.132	70	20	DEID	
Cc1cc(C)n2nc(C)c(C(=O)N(C)Cc3cccn3C)c2n1	160394899	NSHSALPTRYJXPF-UHFFFAOYSA-N	311.389	2.265	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)c1c[nH]nc1-c1ccccc1F	160452706	MNAGWMLHCCJEDY-SNVBAGLBSA-N	319.336	2.287	70	20	DEID	
CC(C)(CO)CCCNC(=O)Nc1ccn(CC(F)(F)F)n1	160464489	OIMDSDWRBLSIER-UHFFFAOYSA-N	322.331	2.366	70	20	DEID	
COC[C@H](NC(=O)Nc1cnn(Cc2ccccc2)c1)C1CC1	160483334	NNIRFHPJONIFHU-INIZCTEOSA-N	314.389	2.478	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)c1ccc(OC(F)F)cc1	160664112	JYTITXNPQWBLTD-VIFPVBQESA-N	301.289	2.360	70	20	DEID	
CC(C)CNC(=O)NCCOc1ncccc1C(F)(F)F	160927791	STRNIJCCGBRLTH-UHFFFAOYSA-N	305.300	2.434	70	20	DEID	
COc1ccccc1[C@H](NC(=O)[C@H](C)N(C)C)c1ccccn1	159820155	ZTUZNTKPJGWHEU-GUYCJALGSA-N	313.401	2.246	70	20	DEID	
Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)[C@@H]2CCNC2)cc1	159537165	WHAPQMRHUFQZLC-BBWFWOEESA-N	302.418	2.188	70	20	DEID	
CCOc1ccc(S(=O)(=O)N(C)c2ncccc2OC)cc1	159544467	VWPZAOXZQVWXNE-UHFFFAOYSA-N	322.386	2.314	70	20	DEID	
Cc1c(/C=C/C(=O)NCCO[C@H]2CCCC[C@@H]2C)cnn1C	159384374	BKVFLUVSSFEMGZ-OPIZNEOISA-N	305.422	2.453	70	20	DEID	
CN([C@@H](CN)C1CC1)S(=O)(=O)c1cc(Cl)ccc1Cl	159953741	PEYIIOQHVLMRJA-NSHDSACASA-N	323.245	2.351	70	20	DEID	
Cc1cncc(CN(CCS(=O)(=O)F)Cc2ccoc2)c1	1887497480	MMUJLUIHRZPCJL-UHFFFAOYSA-N	312.366	2.285	70	20	DEID	
CC(=O)N1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1	217312851	PMVFWCWROGIXJX-UHFFFAOYSA-N	315.295	2.401	70	20	DEID	
CCN(CCN[C@H]1C[C@H](C)N(C2CC2)C1)C(=O)OC(C)(C)C	159499068	MTUPDYBABQIZGJ-KBPBESRZSA-N	311.470	2.458	70	20	DEID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)[C@H](F)C(F)(F)F	865205268	VJYHZYSOBNBBNS-ZETCQYMHSA-N	303.208	2.184	70	20	DEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N(CC1CC1)C1CCC1	1337486812	QDFYHWBCCNWGRU-UHFFFAOYSA-N	300.355	2.078	70	20	DEID	
CO[C@@H]1CCCC[C@H]1NC(=O)c1cccc(S(=O)(=O)F)c1	1349547167	SGFDFLGZPAYIEI-CHWSQXEVSA-N	315.366	2.032	70	20	DEID	
Cc1ccc([C@H](CNC(=O)N2CCC[C@](C)(O)C2)N(C)C)cc1	161209802	UFZQLECTXLYODU-WMZOPIPTSA-N	319.449	2.154	70	20	DEID	
C[C@@]1(O)CCCN(C(=O)Nc2ccc3c(c2)CCCC(=O)N3)C1	161292740	JUTGJMFPLVXDSY-QGZVFWFLSA-N	317.389	2.340	70	20	DEID	
C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@@H]1CCCS1	161398862	WZSQEAPDEDQLJS-RYUDHWBXSA-N	314.451	2.350	70	20	DEID	
CC[C@@H](C(=O)N[C@H]1CCN(C(C)C)C1=O)c1ccc(F)cc1	160040459	UUMGKJBZNNRXOQ-CABCVRRESA-N	306.381	2.445	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)COc1cccc(Cl)c1C	160169420	BBVPOUHVHPVPCJ-JTQLQIEISA-N	313.781	2.485	70	20	DEID	
CN(C[C@H]1CCCO1)C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1	160277687	FLVGEQIOQUVQBA-HZPDHXFCSA-N	320.389	2.497	70	20	DEID	
C[C@@H]1C[C@H](NCc2ccccc2CN2CCOCC2)CCN1C	160424698	QNYSGWRZFMWUBR-VQIMIIECSA-N	317.477	2.091	70	20	DEID	
CCCc1cc(=O)n2nc(N[C@@H]3CCOC(C)(C)C3)sc2n1	160655449	PPWOBMJCTKPSLC-LLVKDONJSA-N	322.434	2.473	70	20	DEID	
C/C(=C\c1ccccc1Cl)C(=O)N(C)CC(=O)NC1CC1	160734949	VHTASULCNWVETD-PKNBQFBNSA-N	306.793	2.480	70	20	DEID	
CC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCOC3(CCCCC3)C2)C1	160889127	KKTPJUCYKZEQFI-HZPDHXFCSA-N	322.449	2.243	70	20	DEID	
CC(C)(C)c1nsc(N2CCC[C@@H](CN3CCOCC3)C2)n1	159440107	LFLGRDGNHSYJNX-ZDUSSCGKSA-N	324.494	2.384	70	20	DEID	
CCC[C@H]1C(=O)NCCN1C(=O)Nc1ccc(OCC)c(F)c1	159722309	ZPDXDBBXNTZBDN-ZDUSSCGKSA-N	323.368	2.357	70	20	DEID	
Cc1cc(S(=O)(=O)NCc2ccccc2CO)cc(C)c1F	159747541	DLJXRBFGVWNVKG-UHFFFAOYSA-N	323.389	2.413	70	20	DEID	
CCc1cccc(S(=O)(=O)N(C)c2ncccc2OC)c1	159556393	DYIPEMFYAMQQHL-UHFFFAOYSA-N	306.387	2.478	70	20	DEID	
COc1ncccc1C(=O)Nc1ccc(S(=O)(=O)F)cc1	123091190	RVKOPZROTHGBMN-UHFFFAOYSA-N	310.306	2.001	70	20	DEID	
Cc1ccc(S(=O)(=O)N2CCO[C@@H](C)[C@H]2C)cc1Cl	216797683	VKUFYBAXMDIBDR-MNOVXSKESA-N	303.811	2.446	70	20	DEID	
CCN(C)S(=O)(=O)N(Cc1ccc(O)cc1)Cc1ccco1	161092434	JBRFFYJHNBBSJZ-UHFFFAOYSA-N	324.402	2.184	70	20	DEID	
Cc1ccc(NC(=O)N2CCN(c3ccccc3O)CC2)cn1	161299760	DVCUQJJTYYPSBF-UHFFFAOYSA-N	312.373	2.450	70	20	DEID	
Cc1cc(NCCCNC(=O)C(C)C)nc(-c2ccncc2)n1	161435379	TYGRWGAYTLDPDE-UHFFFAOYSA-N	313.405	2.421	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)[C@H](CC)Oc1ccccc1F	160031426	LRWYCBGYQWNVBV-AAEUAGOBSA-N	311.353	2.441	70	20	DEID	
CCC(O)(CC)CNS(=O)(=O)c1cc(C)c(OC)cc1C	160204102	FGYRQOFKQWNYOF-UHFFFAOYSA-N	315.435	2.141	70	20	DEID	
CC(C)[C@H](CCO)NC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2	160574354	ACNUNQIBUVAFDX-PWSUYJOCSA-N	322.430	2.256	70	20	DEID	
COc1ccc(S(C)(=O)=O)cc1C(=O)N1[C@@H](C)CC[C@@H]1C	160842865	KOADQYZJRSXXHR-QWRGUYRKSA-N	311.403	2.112	70	20	DEID	
CCOCCNC(=O)[C@@H]1CCN(c2ccc(C(C)C)cc2)C1=O	160911706	CTTMQJDHCDVXFP-INIZCTEOSA-N	318.417	2.316	70	20	DEID	
CC(=O)N1CC[C@@H](NC(=O)C2(c3cccc(F)c3)CCCC2)C1	159669605	IBJSDOKZPLMDLI-MRXNPFEDSA-N	318.392	2.375	70	20	DEID	
CO[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1cc(Cl)ccc1F	159988787	UXWFHNXXZLQGHW-ZYHUDNBSSA-N	314.744	2.101	70	20	DEID	
Cc1ccc(NC(=O)C2SCCS2)cc1S(=O)(=O)F	857675369	LIJNFWFWZVCPBG-UHFFFAOYSA-N	321.420	2.398	70	20	DEID	
CC#CCCNc1ccc([N+](=O)[O-])cc1CS(=O)(=O)F	882167650	NNHKBKXTAMGDGN-UHFFFAOYSA-N	300.311	2.219	70	20	DEID	
CC(=O)Nc1cccc(CNC2CCC(NC(C)=O)CC2)c1	161285870	OWYCPVSGJYJKKV-UHFFFAOYSA-N	303.406	2.182	70	20	DEID	
Cc1ccc(NC(=O)C(=O)N[C@H]2CCc3cc(F)ccc32)cn1	161326924	VPKQEBJHSGPIBS-HNNXBMFYSA-N	313.332	2.271	70	20	DEID	
COc1ccc(-c2ncc(C(=O)N(C)[C@@H](C)CO)s2)cc1	160481038	YBVWVQLNBBJHNC-JTQLQIEISA-N	306.387	2.272	70	20	DEID	
CCc1nn(C)c(Cl)c1C(=O)N[C@H]1[C@@H]2CCO[C@@H]2C12CCC2	160610831	ZALHTQNXIGJWFU-XDTLVQLUSA-N	323.824	2.323	70	20	DEID	
CN[C@@H]1CCN(C(=O)c2csc(CCc3ccccc3)n2)C1	160627317	LLWWXRTVKXGWTR-CQSZACIVSA-N	315.442	2.362	70	20	DEID	
Cc1ccc(C)c([C@@H]2CCCN2C(=O)[C@H](C)S(C)(=O)=O)c1	160658185	RIXNUVHCWMLMCZ-ZFWWWQNUSA-N	309.431	2.400	70	20	DEID	
CC(=O)c1cccc(O[C@H](C)C(=O)N[C@@H](CCO)C(C)C)c1	160752273	RMAMCCSEINECTL-CJNGLKHVSA-N	307.390	2.180	70	20	DEID	
COc1ccc(CC(=O)N(C)Cc2cccn2C)cc1OC	160924808	QDZQFWRYRYKFLQ-UHFFFAOYSA-N	302.374	2.243	70	20	DEID	
COc1cc(NCc2cccn2C)ccc1NS(C)(=O)=O	159899909	UWXKIDYJNZXXTP-UHFFFAOYSA-N	309.391	2.017	70	20	DEID	
Cc1ncsc1CNC(=O)Nc1ccnn1C[C@H]1CCOC1	159529346	HMJKIBMUNBXXEE-LLVKDONJSA-N	321.406	2.006	70	20	DEID	
Cc1cccc(OCCC(=O)NC[C@@H](O)COCC(C)C)c1C	159384674	DJDRZCGKTZDXQO-MRXNPFEDSA-N	323.433	2.222	70	20	DEID	
CC1CCN([C@@H](C)CNC(=O)N(C)CC2CCOCC2)CC1	159785315	MYXGWPZRBJAAQL-HNNXBMFYSA-N	311.470	2.175	70	20	DEID	
CSCC[C@@H](N)C(=O)N[C@@H](C)c1ccccc1-n1cccn1	159593563	XHMMIPSDVIABRM-GXTWGEPZSA-N	318.446	2.130	70	20	DEID	
COc1ccc([C@@H](C)NC(=O)N[C@@H]2CC(=O)N(C(C)C)C2)cc1	217288147	WSBUIMHBQRGTRR-TZMCWYRMSA-N	319.405	2.065	70	20	DEID	
CS[C@@H](C)C(=O)Nc1ccc(F)c(CS(=O)(=O)F)c1	876318365	SCNFJOCCXXLKCU-ZETCQYMHSA-N	309.359	2.315	70	20	DEID	
O=S(=O)(F)c1ccc(NC[C@]23CCC[C@@H]2OCC3)nc1	1551190420	AEDIFXNFFUCESS-WCQYABFASA-N	300.355	2.111	70	20	DEID	
CC(C)CNC(=O)NC(=O)COc1ccc(Cl)c(F)c1	161139694	RQEOPUDLPGQGCR-UHFFFAOYSA-N	302.733	2.340	70	20	DEID	
C[C@@]1(c2cc(F)ccc2F)NC(=O)N(Cc2nccs2)C1=O	161192564	OSOWXULGAQJWRC-AWEZNQCLSA-N	323.324	2.389	70	20	DEID	
COC[C@@H](O)CCNC(=O)CCc1ccc(C(C)(C)C)cc1	161436783	PNSNACFVNMGFPU-INIZCTEOSA-N	307.434	2.430	70	20	DEID	
COCCOc1cccc(NC(=O)[C@H]2CCn3ccnc3C2)c1	160123736	TUXMJAGIFZQLQF-ZDUSSCGKSA-N	315.373	2.109	70	20	DEID	
CCNC(=O)c1cccc(CN[C@H]2C[C@@H](C)N(C)C[C@@H]2C)c1	160178462	NUVYIHCEZLWFOH-VBQJREDUSA-N	303.450	2.255	70	20	DEID	
CC(=O)Nc1ccc(F)c(C(=O)NCCc2cccc(O)c2)c1	160235576	SGKVVDOMOQRIQK-UHFFFAOYSA-N	316.332	2.462	70	20	DEID	
C[C@H](CCCO)NC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1	159831657	YJVKDBLXVRQTTC-KBMXLJTQSA-N	306.406	2.367	70	20	DEID	
CS[C@@H](C)C(=O)Nc1ccc(CS(C)(=O)=O)c(F)c1	160324172	VRZUPDACSUOTNL-QMMMGPOBSA-N	305.396	2.060	70	20	DEID	
CC(C)N(CC(F)F)C(=O)c1ccc(S(=O)(=O)F)cc1	864242917	UGJDFKHTDDBNNL-UHFFFAOYSA-N	309.309	2.461	70	20	DEID	
Cc1cc(C(=O)Nc2ccc(S(=O)(=O)F)cc2)c(C)nn1	776367949	KGYWHDUTKOCTRE-UHFFFAOYSA-N	309.322	2.004	70	20	DEID	
CO[C@H](CNC(=O)c1cccc(S(=O)(=O)F)c1)CC(C)C	1121094962	MHIKOWCJPJJIJR-LBPRGKRZSA-N	317.382	2.136	70	20	DEID	
CS[C@H]1CCCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1346641342	FZSVQTIGNDZFHT-VIFPVBQESA-N	320.411	2.031	70	20	DEID	
CC(=O)Nc1ccc(CNCCNC(=O)OC(C)(C)C)cc1	218084154	PJSMMQOUMXFPQJ-UHFFFAOYSA-N	307.394	2.259	70	20	DEID	
Cc1cc(F)c(S(=O)(=O)NC2(C)CCOCC2)cc1F	161008878	UYTHIWBSEXIBAG-UHFFFAOYSA-N	305.346	2.121	70	20	DEID	
CCCC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(OC)c(N)c1	161010402	BDFNOOCKSGXXIL-AWEZNQCLSA-N	319.405	2.397	70	20	DEID	
CC[C@H](CC(=O)NCC[C@@H](O)COC)c1ccc(OC)cc1	161115422	GYXOBSDRWSELAI-UKRRQHHQSA-N	309.406	2.093	70	20	DEID	
Cc1conc1NC(=O)C(=O)N1C[C@H](c2ccccc2)C[C@@H]1C	161213963	UIQGENQCISUMLE-GXTWGEPZSA-N	313.357	2.326	70	20	DEID	
CCCCC1CCC(C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)CC1	161260075	GYBFOUPTWAABMQ-PFSRBDOWSA-N	310.438	2.132	70	20	DEID	
COc1ccc(NC(=O)c2ncoc2[C@H]2CCCO2)cc1N	161298034	UOAFJEWXXPHMAO-GFCCVEGCSA-N	303.318	2.369	70	20	DEID	
COC(=O)C[C@H](C)C(=O)Nc1nnc(-c2ccsc2)s1	160187634	ZNHQVAPQAIAMIZ-ZETCQYMHSA-N	311.388	2.404	70	20	DEID	
CCOC(=O)C(C)(C)N(C)C(=O)Cc1cc(F)c(F)cc1F	160373113	FUGIGGLIKOWWFT-UHFFFAOYSA-N	317.307	2.447	70	20	DEID	
Cc1cc(NC(=O)[C@@H](NC2CCOCC2)C(C)C)ccc1O	160670842	FGPMJTWIVYEZDS-INIZCTEOSA-N	306.406	2.432	70	20	DEID	
CC(C)CSCCCNC(=O)c1cnc2ccccn2c1=O	160706748	UJCDKVJNWPTJCD-UHFFFAOYSA-N	319.430	2.204	70	20	DEID	
COCCCCCNC(=O)Nc1ccc(-c2ncn(C)n2)cc1	160723490	UJTGCGYVHGTLND-UHFFFAOYSA-N	317.393	2.420	70	20	DEID	
NC(=O)CC1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)CC1	160873329	GXHXOKZRVMOVJR-QWHCGFSZSA-N	322.355	2.182	70	20	DEID	
C[C@@H]1CCCN(CC2CCN(C(=O)C(C)(C)C)CC2)[C@@H]1CO	160945986	XXTCORFKASHJGV-GDBMZVCRSA-N	310.482	2.364	70	20	DEID	
CC(C)(C)c1ccc([C@@H](O)CNC(=O)[C@H]2CCCCN2)cc1	160970348	GYZKWUXQTCTBOS-CVEARBPZSA-N	304.434	2.276	70	20	DEID	
CCC[C@H]1CN(C(=O)N[C@@H](C)c2nnc3ccccn23)CCO1	159406885	MFORHVRSUMHMNR-STQMWFEESA-N	317.393	2.001	70	20	DEID	
CCOC(=O)C1(C(=O)NC[C@H](OC)c2ccc(F)cc2)CCC1	159413817	CPEVQDABGNFKPY-AWEZNQCLSA-N	323.364	2.363	70	20	DEID	
CCOC(=O)CCc1ccc(NC(=O)NC[C@](C)(O)CC)cc1	159573689	FVUOOXXOYVSFIB-QGZVFWFLSA-N	322.405	2.465	70	20	DEID	
CC(C)COCCCNC(=O)N1CCCN(CC(F)F)CC1	159974030	AVFTUPXMVHFZSP-UHFFFAOYSA-N	321.412	2.032	70	20	DEID	
CC(C)CN(CC(N)=O)C(=O)Cc1ccc2c(c1)CCCC2	159785215	MIKCHTZLCOTBCX-UHFFFAOYSA-N	302.418	2.078	70	20	DEID	
CC1(O)CCN(c2ccc(S(=O)(=O)C(F)F)cc2)CC1	161187987	ABBCQUKMBRQOTK-UHFFFAOYSA-N	305.346	2.034	70	20	DEID	
O=S(=O)(Cc1ccc(Cl)cc1)N1CCc2ncncc2C1	218077785	OYNREEFDGPCLOM-UHFFFAOYSA-N	323.805	2.018	70	20	DEID	
CSC[C@@](C)(O)CNC(=O)c1ccc(COC(C)C)cc1	217712901	MGFBGKPLNMOPLE-INIZCTEOSA-N	311.447	2.455	70	20	DEID	
COc1cc(C(=O)N(CCO)Cc2ccccc2)ccc1F	159624454	RUTYWUARGUAHKF-UHFFFAOYSA-N	303.333	2.469	70	20	DEID	
CSC(C)(C)CNC(=O)c1cccc(S(=O)(=O)F)c1	1338261766	WWKAIGNBJALGBW-UHFFFAOYSA-N	305.396	2.216	70	20	DEID	
CC(=O)NC1CCC(NCCCn2cnc3ccccc32)CC1	161232249	POLDXVIFCPYZGS-UHFFFAOYSA-N	314.433	2.463	70	20	DEID	
CC1(C)CCc2ccccc2[C@@H]1NC(=O)C1(NC(N)=O)CC1	160112428	KOQWWWAHUHPKFC-ZDUSSCGKSA-N	301.390	2.017	70	20	DEID	
C[C@](O)(CNc1ccncc1C(N)=O)c1ccccc1Cl	160157887	KKCFBEXPPGYWKJ-HNNXBMFYSA-N	305.765	2.154	70	20	DEID	
Cc1nc2cc(=O)[nH]n2c(C)c1CNC(=O)CCC(C)(C)C	160304690	HULDISRBVLGYJI-UHFFFAOYSA-N	304.394	2.082	70	20	DEID	
CN(CCC1CCOCC1)C(=O)c1cccn1C1CCNCC1	160353856	WKZARPWCYXTCJA-UHFFFAOYSA-N	319.449	2.301	70	20	DEID	
CC[C@H](C)[C@H](O)CNC(=O)COc1ccc2c(c1)CCCC2	160449220	IBSUGWZCPSCSOZ-SUMWQHHRSA-N	305.418	2.467	70	20	DEID	
Cc1nc(CC(=O)NC[C@@H](O)c2ccccc2C)c(C)s1	160461134	BWGLBZYMXPUDRW-OAHLLOKOSA-N	304.415	2.461	70	20	DEID	
Cc1cccc(NC(=O)C(=O)Nc2cnn(CC(C)C)c2)c1	160471957	BCPNYYKNLQYCAE-UHFFFAOYSA-N	300.362	2.425	70	20	DEID	
CCc1cc(O)nc(CN2CCN(Cc3cccs3)CC2)n1	160561534	DBYOWGONJXFZDF-UHFFFAOYSA-N	318.446	2.124	70	20	DEID	
C[C@@H](NC(=O)NC1(c2cccc(F)c2)CC1)c1nncn1C	160819942	JGUWFVLILMUPSK-SNVBAGLBSA-N	303.341	2.004	70	20	DEID	
CC(C)C[C@H](CO)NC(=O)C(C)(C)CNC(=O)OC(C)(C)C	160973731	MIAVSPNMTZXZAE-GFCCVEGCSA-N	316.442	2.061	70	20	DEID	
Cc1cccc(-n2cc(C(=O)Nc3ccc(N(C)C)nc3)nn2)c1	159410225	LPSLBAXPGLMEDP-UHFFFAOYSA-N	322.372	2.289	70	20	DEID	
CCc1noc(CSc2nnc(-c3ccccn3)n2C)n1	159500914	LQQWQSZKFYFOCF-UHFFFAOYSA-N	302.363	2.115	70	20	DEID	
CC[C@@H]1CCCCN1C(=O)[C@H](C)SCCN1CCOCC1	159764091	IAQYHVFWTLIYGR-LSDHHAIUSA-N	314.495	2.231	70	20	DEID	
O=C(/C=C/c1cscn1)Nc1cccc(S(=O)(=O)F)c1	460097596	WXKJIERCOMSTLQ-SNAWJCMRSA-N	312.347	2.453	70	20	DEID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)c1ccc2c(c1)OCO2	460088849	DLBRCZFMJCLECD-UHFFFAOYSA-N	323.301	2.326	70	20	DEID	
COCC(C)(C)C(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	857675053	ZMFWXQBCSFNXKV-UHFFFAOYSA-N	307.318	2.095	70	20	DEID	
CC[C@H](CSC)NC(=O)c1ccc(S(=O)(=O)F)cc1	865209497	WQZQRSSTYRRMEE-SNVBAGLBSA-N	305.396	2.216	70	20	DEID	
COCCC1(CNC(=O)N2CCC[C@H](c3ccn[nH]3)C2)CC1	161012370	VXBZQMFDJMHAHY-ZDUSSCGKSA-N	306.410	2.115	70	20	DEID	
CC(C)(C)CC(=O)Nc1ccc(CC(=O)Nc2nnc[nH]2)cc1	161022864	XXDJHQBDQPLWKG-UHFFFAOYSA-N	315.377	2.361	70	20	DEID	
Cc1cc(NC(=O)c2ccc(C(=O)NC(C)C)cc2)n(C)n1	161045445	FYNPXZDEURVUCZ-UHFFFAOYSA-N	300.362	2.119	70	20	DEID	
Cn1ccnc1[C@@H](O)C1CCN(C(=O)NC2CCCCC2)CC1	161153771	XFMBQWXXYKYCSL-HNNXBMFYSA-N	320.437	2.208	70	20	DEID	
O=C(CNC(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2)N1CCCC1	161439270	MAEHOUKRIUTDRY-QJRTVWDNSA-N	308.397	2.034	70	20	DEID	
N[C@H]1CCC[C@H](NC(=O)c2ccn(-c3cccc(F)c3)n2)C1	161482866	GYPCGEXUBBHPGK-STQMWFEESA-N	302.353	2.011	70	20	DEID	
COc1cc(C2(C(=O)NC[C@@H](C3CC3)N(C)C)CC2)ccc1C	160108184	HUKYZCUHIOLFNU-INIZCTEOSA-N	316.445	2.492	70	20	DEID	
C[C@H](NC(=O)Nc1ccc(OCC(=O)N(C)C)cc1)C1CCC1	160475509	CPDOCOAGNIIXBZ-LBPRGKRZSA-N	319.405	2.464	70	20	DEID	
CC(C)n1nccc1C(=O)Nc1ccc2oc(=O)n(C)c2c1	160653978	BCQKYIFSIXKNSB-UHFFFAOYSA-N	300.318	2.161	70	20	DEID	
CC(C)c1cc(=O)n(CC(=O)N2CCc3sccc3C2)cn1	160718132	JETJTVSMNHPKPS-UHFFFAOYSA-N	317.414	2.013	70	20	DEID	
CC(C)CN1CCCC[C@H]1CNC(=O)N(C[C@@H](C)O)C(C)C	160961155	KMUNCXWKHNLRLI-CVEARBPZSA-N	313.486	2.298	70	20	DEID	
CCCCn1ncc(NC(=O)N[C@H](C)C(=O)N[C@H](C)CC)c1C	159814044	GCNRATLPBBIGED-VXGBXAGGSA-N	323.441	2.416	70	20	DEID	
CN(CC(=O)NCc1cccc(Cl)c1)C[C@@H]1CCC[C@@H]1O	159650156	KTFYQKYUAGXVQD-ZFWWWQNUSA-N	310.825	2.049	70	20	DEID	
CCC[C@H](N)C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1	159651392	ARADMJGJGFLTNQ-LBPRGKRZSA-N	322.796	2.176	70	20	DEID	
CCn1cc(C(=O)NC[C@@H](C[C@@H](C)O)c2ccccc2)cn1	159730528	OKWZOEVRYFQADK-UKRRQHHQSA-N	301.390	2.188	70	20	DEID	
COC(=O)c1oc([C@@H](C)N2CCC[C@H](CNC(C)=O)C2)cc1C	159781217	IEOIDNUPFUHWHB-TZMCWYRMSA-N	322.405	2.284	70	20	DEID	
C[C@@H]1C[C@@H](C)[C@@H](C(=O)Nc2ccc(S(=O)(=O)F)cc2)O1	283615714	UWIMDGHTMLBPDS-LNLATYFQSA-N	301.339	2.097	70	20	DEID	
CN(CCC(F)(F)F)C(=O)c1cccc(S(=O)(=O)F)c1	1339473025	YOCOIIMNJNNUKC-UHFFFAOYSA-N	313.272	2.369	70	20	DEID	
O=C(N[C@H]1C[C@H]1Cc1ccccc1)c1cc(S(=O)(=O)F)c[nH]1	1338391255	YDORHDDKNOXBSA-YPMHNXCESA-N	322.361	2.034	70	20	DEID	
CC[C@@H](CO)NC(=O)C(=O)Nc1ccccc1SC(C)C	161027534	QDDDYYOUZPKBSR-NSHDSACASA-N	310.419	2.013	70	20	DEID	
CC(C)NC(=O)c1ccc(C(=O)Nc2nnc3ccccn23)cc1	161073294	QQUYNVKMQZSGJI-UHFFFAOYSA-N	323.356	2.120	70	20	DEID	
CCN(CC)CCCNC(=O)c1cc(OC)c(OC)cc1F	161252738	YAKXVEKEDIGQIU-UHFFFAOYSA-N	312.385	2.305	70	20	DEID	
CN(CCCNC(=O)NO[C@H]1CCCCO1)c1ccccc1	161277612	SXAPYDNYKKVJOT-HNNXBMFYSA-N	307.394	2.270	70	20	DEID	
CC[C@@H](NC(=O)C(=O)Nc1nocc1C)c1ccc(F)cc1F	161319851	SQIYSYSSMOPWFT-GFCCVEGCSA-N	323.299	2.467	70	20	DEID	
CC[S@](=O)c1ccccc1C(=O)NCCc1cccc(O)c1	160215045	XQXAYMFVVDIVQR-JOCHJYFZSA-N	317.410	2.492	70	20	DEID	
C[C@H](CC(=O)N1CCC[C@H](N2CCCC2=O)C1)c1ccncc1	160274808	UNTXASMYUYYIEJ-ZBFHGGJFSA-N	315.417	2.189	70	20	DEID	
COC[C@@H](NC(=O)Nc1ccc(C(=O)N(C)C)c(C)c1)C1CC1	160496538	MJVZCUSNNAHIBR-OAHLLOKOSA-N	319.405	2.243	70	20	DEID	
CCCCCC[C@]1(C)NC(=O)N(Cc2nnc(CC)o2)C1=O	160558379	JVVZZIFPVKJHPM-HNNXBMFYSA-N	308.382	2.413	70	20	DEID	
Cc1nc(CNS(=O)(=O)Cc2c(F)cccc2F)cs1	160776271	JVZFUOYQJHESSI-UHFFFAOYSA-N	318.370	2.349	70	20	DEID	
CCC[C@@H]1C(=O)NCCN1C(=O)Nc1cccc(COCC)c1	160886544	RQUGHCQBJLFEJS-OAHLLOKOSA-N	319.405	2.356	70	20	DEID	
COC[C@H](NC(=O)Nc1ccccc1O[C@H]1CCOC1)C1CC1	160993572	SJOWCUOEPCMDTH-ZFWWWQNUSA-N	320.389	2.401	70	20	DEID	
COCCOc1ccc(NC(=O)[C@H]2CCn3ccnc3C2)cc1	159835135	WGPWZWNGBFMVIX-ZDUSSCGKSA-N	315.373	2.109	70	20	DEID	
C[C@@H](CO[C@H]1CCOC1)NC(=O)N1CCc2cccc(F)c2C1	159863741	KEJVZZDPLTUMLK-JSGCOSHPSA-N	322.380	2.087	70	20	DEID	
COc1ccc(CCC(=O)Nc2c[nH]c(=O)c(C)c2)cc1F	159725353	OLLHBIDSFYQXEY-UHFFFAOYSA-N	304.321	2.402	70	20	DEID	
CC(C)[C@H]1CCC[C@@H](NC(=O)NC[C@@H]2CCCS2(=O)=O)C1	159736363	XUSCNWPRYWWAJQ-MJBXVCDLSA-N	316.467	2.078	70	20	DEID	
C[C@H](C(=O)N(CC(N)=O)Cc1ccccc1)c1ccsc1	159945470	YAWWIYLPEAUVEI-LBPRGKRZSA-N	302.399	2.366	70	20	DEID	
CN(Cc1ccc(Cl)s1)C(=O)CN1CCC(C)(O)CC1	161204132	QZDJGCQPYBSFJP-UHFFFAOYSA-N	316.854	2.207	70	20	DEID	
C[C@@H]1CN(C)[C@H](C)C[C@@H]1NCCCc1nnc2n1CCCCC2	161153035	ZAYVJYICNQBGAG-OAGGEKHMSA-N	319.497	2.255	70	20	DEID	
CCOC(=O)N(C)C1CCN(C(=O)c2ccnn2C(C)C)CC1	161155674	XSBNDIWOWCTTLX-UHFFFAOYSA-N	322.409	2.157	70	20	DEID	
c1ccc2c(c1)CCN(CCNC1CCC3(CC1)OCCO3)C2	161252530	GECOIVNVLUNJQH-UHFFFAOYSA-N	316.445	2.320	70	20	DEID	
NC1(CC(=O)Nc2[nH]ncc2-c2ccc3c(c2)OCO3)CCC1	161341460	NCFRWKKCNDQDMP-UHFFFAOYSA-N	314.345	2.015	70	20	DEID	
CC(=O)NC1CCC(N[C@H](C)CN2C[C@@H](C)C[C@H](C)C2)CC1	161357189	QAJAUBVKNMDGJE-AQKMWONCSA-N	309.498	2.390	70	20	DEID	
CC[C@H](NC(=O)COc1c(C)nn(C)c1C)c1c(C)noc1C	160041571	ISCDMZHSTHWDDW-ZDUSSCGKSA-N	320.393	2.288	70	20	DEID	
N[C@@H]1CCN(C(=O)c2cc3cc(Br)ccc3o2)C1	160186517	VHADZDHLOOYCKU-SNVBAGLBSA-N	309.163	2.369	70	20	DEID	
O=C(/C=C/c1ccc2c(c1)OCO2)N(CCCCO)C1CC1	160199856	LMIZZVYWABZLAO-XBXARRHUSA-N	303.358	2.192	70	20	DEID	
CCC[C@@H]1NC(=O)N(Cc2noc(C3CCCCC3)n2)C1=O	160630898	LMSAMCAGWDXXBP-NSHDSACASA-N	306.366	2.338	70	20	DEID	
CC(C)c1cc(=O)n(CC(=O)NCCC2CCCCC2)cn1	160705371	OGHBNROXGSKUGJ-UHFFFAOYSA-N	305.422	2.453	70	20	DEID	
CC[C@@H](C)CS(=O)(=O)N1CCN(C)c2ccc(F)cc21	160882176	FIISIBJTKRYMCQ-LLVKDONJSA-N	300.399	2.458	70	20	DEID	
CC[C@@H](NC(=O)Nc1ccc(-n2cccn2)nc1)[C@H]1CCCO1	160935785	GNDLBHSIGYZWBU-ZIAGYGMSSA-N	315.377	2.346	70	20	DEID	
COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N(C)C[C@@H](C)O	159447160	LASZSBQOXLYWEL-MNOVXSKESA-N	314.813	2.297	70	20	DEID	
CC(C)CN(CC(N)=O)C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1	159705798	ITFLSGCBPGZABE-WDEREUQCSA-N	308.344	2.325	70	20	DEID	
C[C@@H](NCCCN1CCCC1=O)c1ccc([S@@](C)=O)cc1	159539285	HMRKYRDIOHIHHD-ASSNKEHSSA-N	308.447	2.087	70	20	DEID	
COc1cccnc1N(C)S(=O)(=O)c1ccc(C)cc1F	159557554	NIJYYCJQEYTBBU-UHFFFAOYSA-N	310.350	2.363	70	20	DEID	
Cc1ccc(C(=O)CCN2CCS(=O)(=O)[C@H](C)[C@@H]2C)cc1	159755057	HJPUGVQGDFJCMW-UONOGXRCSA-N	309.431	2.075	70	20	DEID	
CCN(Cc1ccccc1)C(=O)N[C@H]1CC(=O)N(C(C)C)C1	217288486	BGSHNOLNMALMKW-HNNXBMFYSA-N	303.406	2.227	70	20	DEID	
Cc1ccc(CC(=O)Nc2cccc(S(=O)(=O)F)c2)cn1	460090164	GTJBPTHEAURECB-UHFFFAOYSA-N	308.334	2.229	70	20	DEID	
CCCCc1cc(NC(=O)COc2c(C)nn(C)c2C)[nH]n1	161324371	ZFQKXFBSBJRUBC-UHFFFAOYSA-N	305.382	2.120	70	20	DEID	
CC(=O)N(C)C1CCN(C(=O)CCc2ccc(F)cc2F)CC1	161440905	JCDCOXAJPOADBU-UHFFFAOYSA-N	324.371	2.367	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)Cc1ccc(OC(F)F)cc1	160063952	ZGLDSGOZBZKUBT-SNVBAGLBSA-N	315.316	2.288	70	20	DEID	
CCCCn1ncc(NC(=O)NCC(C)(C)C(=O)OC)c1C	160109006	HKQPINIRQKINJC-UHFFFAOYSA-N	310.398	2.312	70	20	DEID	
CCOCCO[C@@H](C)C(=O)N[C@@H]1CCc2c(OC)cccc21	160172868	VCHYSTKSSYFVMF-SWLSCSKDSA-N	307.390	2.240	70	20	DEID	
Cc1noc(C)c1[C@@H](C)CNC(=O)N(C)CC1CCOCC1	160211717	MZBVWVOEPWCWMC-NSHDSACASA-N	309.410	2.463	70	20	DEID	
CC1(C)CCCN1C(=O)C(=O)Nc1ncn(C2CCCCC2)n1	160225255	NBVOHRMCJSPAQS-UHFFFAOYSA-N	319.409	2.123	70	20	DEID	
CCC(N)(CC)CNC(=O)CCN(Cc1ccccc1)C(C)=O	160421315	RREXEDIINXZNKM-UHFFFAOYSA-N	319.449	2.059	70	20	DEID	
CC[C@@H](C)[C@H](O)CNC(=O)c1c(-c2ccccn2)noc1C	160447649	UXTWVSHDUFHDPD-ZWNOBZJWSA-N	303.362	2.182	70	20	DEID	
COc1ccc(C(=O)CCC(=O)N[C@@H](CO)CC(C)C)cc1	160643638	PSHGZQJIWSRHIT-CQSZACIVSA-N	307.390	2.181	70	20	DEID	
CCNC(=O)c1ccc(C)c(NC(=O)N[C@H]2CC[C@H](O)CC2)c1	160731360	BMANDJMNUOOFGR-OKILXGFUSA-N	319.405	2.170	70	20	DEID	
Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2c2ccncc2)cn1	160766460	XDZUBWUQNFXZPZ-HNNXBMFYSA-N	310.357	2.087	70	20	DEID	
COC[C@@H](NC(=O)Nc1ccc(C)c(C(=O)N(C)C)c1)C1CC1	160848997	VDWFIBCBINLNFA-OAHLLOKOSA-N	319.405	2.243	70	20	DEID	
CCC(CC)[C@H](CNC(=O)NCC[C@H](O)CC)N1CCCC1	160902509	XLZMKLPCYVAAOA-CVEARBPZSA-N	313.486	2.347	70	20	DEID	
CCOCCC1(CNC(=O)N[C@H](C)CN2CCCCC2)CC1	159612599	SFVKWNBKQHUPJC-OAHLLOKOSA-N	311.470	2.367	70	20	DEID	
Cc1ccc(C(=O)CCN(C)[C@H](C)[C@@H](C)S(C)(=O)=O)cc1	159672670	RBINZNIPESBYPF-ZIAGYGMSSA-N	311.447	2.321	70	20	DEID	
CCc1ccc(S(=O)(=O)NCc2ccccc2CO)cc1	159750142	ICXYJTNLLOKZEK-UHFFFAOYSA-N	305.399	2.220	70	20	DEID	
N[C@H]1CCC[C@H](NC(=O)Cc2ccccc2Br)C1	160889876	PVSKNNYGTPKNKI-RYUDHWBXSA-N	311.223	2.378	70	20	DEID	
CCN(C(=O)c1ccc(S(=O)(=O)F)cc1)c1cccnc1	864239672	GWCPQUUICWSBGE-UHFFFAOYSA-N	308.334	2.407	70	20	DEID	
CC(C)(C)[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1123741712	BUJJBFIZCWIAMK-VIFPVBQESA-N	302.371	2.181	70	20	DEID	
O=S(=O)(F)c1ccc(N2CCC[C@H](OC3CCC3)C2)nc1	1550628430	INAJTMFKNDSLPL-LBPRGKRZSA-N	314.382	2.278	70	20	DEID	
CC[C@H](CC(=O)NCC[C@H](O)COC)c1ccc(OC)cc1	161115233	GYXOBSDRWSELAI-HIFRSBDPSA-N	309.406	2.093	70	20	DEID	
CCC[C@@H](CCO)CNC(=O)/C=C/c1ccc2c(c1)OCO2	161164476	NOPFJSTZUCBVRZ-DYLGSBMWSA-N	305.374	2.343	70	20	DEID	
COCc1ccc([C@H]2CCCN2C(=O)c2cnn(C)c2C)o1	161250893	HSLIHMKYUUERCV-CQSZACIVSA-N	303.362	2.445	70	20	DEID	
CC(C)Cc1noc(CN2CCC([C@H](O)C(F)(F)F)CC2)n1	161372360	AKVJIFGKMDLBIF-ZDUSSCGKSA-N	321.343	2.403	70	20	DEID	
CC(=O)N1CCC[C@H](C(=O)N2CCc3c(Cl)cccc32)C1	161452974	ZMUCEQLRUPLUTO-LBPRGKRZSA-N	306.793	2.488	70	20	DEID	
C[C@@H]1CN(C)[C@H](C)C[C@H]1NCc1ccccc1N1CCOCC1	161461795	MJYRRKQAOGLEDN-JFIYKMOQSA-N	317.477	2.342	70	20	DEID	
CC(C)C(=O)Nc1ccc(Cl)c(C(=O)NCC(C)(C)N)c1	160122083	QDEFVAUPRLVWAV-UHFFFAOYSA-N	311.813	2.402	70	20	DEID	
CO[C@@H]1CCC[C@H]1NC(=O)Nc1ccn(CC(F)(F)F)n1	160318794	PTWKCOTYHUTYJJ-RKDXNWHRSA-N	306.288	2.134	70	20	DEID	
CC(C)N(CCCNC(=O)c1cnc2c(c1)ncn2C)C(C)C	160679812	CXHWMRYRVRHZRA-UHFFFAOYSA-N	317.437	2.207	70	20	DEID	
CCOCCO[C@H]1CCN(C(=O)Nc2cnn(C(C)C)c2)C1	160698515	CMFKWQDFSIJSFA-AWEZNQCLSA-N	310.398	2.123	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)c1ccc(NC(=O)C(C)C)cc1	160798592	NAODPCGCJHJUCL-GFCCVEGCSA-N	320.389	2.353	70	20	DEID	
O=C(NC[C@@H]1CCCS1(=O)=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	159810538	HBFHHRFFTQYPPJ-XQLPTFJDSA-N	313.463	2.286	70	20	DEID	
CC(C)(C)OC(=O)NCC(=O)NCCc1cc2ccccc2[nH]1	159635609	OJXHXSYSBBDIAK-UHFFFAOYSA-N	317.389	2.351	70	20	DEID	
Cc1noc(C)c1C[C@H](C)NS(=O)(=O)Cc1ccccc1	159831672	YZTHRMNNMDEJNR-NSHDSACASA-N	308.403	2.342	70	20	DEID	
CCn1c(S[C@H](C)C(=O)N(C)C)nc2ccc(F)cc2c1=O	159548334	MJWFFZJSGNFGCM-SECBINFHSA-N	323.393	2.124	70	20	DEID	
COc1cccnc1N(C)S(=O)(=O)c1ccc(C)c(F)c1	159554497	KAGQKDZEQSZILI-UHFFFAOYSA-N	310.350	2.363	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)c1ccccc1-c1nnc(C)o1	159560007	KBJCHRNPCBMBLS-JTQLQIEISA-N	317.345	2.117	70	20	DEID	
O=C(C[C@H]1CCCN1)N1CC[C@H](COCc2ccccc2)C1	161328372	ONDMTEFUPTYBKQ-DLBZAZTESA-N	302.418	2.194	70	20	DEID	
CCOC1CC(CC(=O)Nc2cccc(S(=O)(=O)F)c2)C1	789666085	RNIYVSKAFLJJHH-UHFFFAOYSA-N	315.366	2.489	70	20	DEID	
O=C(N[C@H]1CCC[C@@H](F)C1)c1ccc(S(=O)(=O)F)cc1	1337635317	FNRAUBNDTOTCJG-MNOVXSKESA-N	303.330	2.355	70	20	DEID	
COc1ccc(CNC(=O)c2csc([C@@H]3CCCO3)n2)cn1	161249108	JFQMJYRTIQJXPR-LBPRGKRZSA-N	319.386	2.328	70	20	DEID	
CC(C)N(C(=O)[C@@H](C)N1CCN(c2ccncc2)CC1)C(C)C	161388860	UGAGQYSLTMSZCO-MRXNPFEDSA-N	318.465	2.238	70	20	DEID	
CC[C@H](C)[C@H](O)CNC(=O)c1c(-c2ccncc2)noc1C	160438978	WGFDEARZKIIYCA-GXFFZTMASA-N	303.362	2.182	70	20	DEID	
C[C@@H](N[C@@H](CN1CCCC1=O)c1ccccc1)[C@H]1CCOC1	160676952	KKILRAPHCLLTBR-PVAVHDDUSA-N	302.418	2.365	70	20	DEID	
O=C1CC[C@]2(C(=O)NC3CC=CC3)Sc3ccccc3N12	160787983	GRZKSYDHWVDXOV-MRXNPFEDSA-N	300.383	2.450	70	20	DEID	
CCOc1ccc(CN2CCC(CC(N)=O)CC2)cc1OC	159835358	DQQZAFJRNLIIIS-UHFFFAOYSA-N	306.406	2.181	70	20	DEID	
Cc1cc(NC(=O)c2ccncc2Br)c[nH]c1=O	159838119	PZOLKIBCSLOOEG-UHFFFAOYSA-N	308.135	2.093	70	20	DEID	
CC(C)[C@@H](C)NC(=O)CN1CCO[C@]2(CCc3ccccc32)C1	159465155	UBXZIHDWNTXHFE-DNVCBOLYSA-N	316.445	2.321	70	20	DEID	
CC(C)NC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1cccc(F)c1F	159500116	MKJPUGNTSGRMIR-VHSXEESVSA-N	313.348	2.238	70	20	DEID	
CCCCOc1cccc(CNC(=O)c2cccc(=O)n2C)c1	159900744	HRWZUUJTXYMEDX-UHFFFAOYSA-N	314.385	2.494	70	20	DEID	
Cc1ccc(-c2n[nH]cc2CN2CCC(CC(N)=O)CC2)cc1	159720737	ZBGRXXSDEZUFLQ-UHFFFAOYSA-N	312.417	2.473	70	20	DEID	
C[C@@H](O)CN(C)[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O	159566650	HGTMOJCWULWQLJ-ZWNOBZJWSA-N	316.323	2.123	70	20	DEID	
C[C@@H](Nc1ccc(S(C)(=O)=O)cc1)C(=O)N1CCCC[C@H]1C	159373186	CXEUHWNMNPQWDM-CHWSQXEVSA-N	324.446	2.292	70	20	DEID	
COc1cccnc1N(C)S(=O)(=O)c1cccc(F)c1F	159568600	MCPRXPWFVBLPID-UHFFFAOYSA-N	314.313	2.194	70	20	DEID	
Cc1ccc(C)c(CN2CCC(N3CCC[C@H]3C(N)=O)CC2)c1	159380037	WXVUJSZHDQEEDR-SFHVURJKSA-N	315.461	2.218	70	20	DEID	
COc1nc(C(=O)Nc2c[nH]c(=O)c(C)c2)cc2ccccc12	159772707	VCYMOZLSOSMCPH-UHFFFAOYSA-N	309.325	2.492	70	20	DEID	
CS(=O)(=O)c1ccc(CNCc2ccc(O)c(F)c2)cc1	217825574	ZZWMXIPWLNLXAL-UHFFFAOYSA-N	309.362	2.225	70	20	DEID	
CC[C@@H](CO)NC(=O)NCCc1cccc(Br)c1	217489631	XCMTXQUSFFIGIY-LBPRGKRZSA-N	315.211	2.062	70	20	DEID	
CSC[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	857674207	FPWBXVCWRZMNNE-SSDOTTSWSA-N	309.359	2.422	70	20	DEID	
C[C@@H](CC(=O)Nc1ccc(S(=O)(=O)F)cc1)n1ccnc1	864238851	QGXKIAYSGPIEJY-JTQLQIEISA-N	311.338	2.131	70	20	DEID	
C[C@@H](CCc1ccccc1)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1123464686	GQRSOMCECXDKSA-NSHDSACASA-N	324.377	2.424	70	20	DEID	
O=C(NCCOc1ccccc1)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2	161038079	CCCFQEUVSAOPMQ-OAGGEKHMSA-N	316.401	2.322	70	20	DEID	
COC[C@H](O)CCNC(=O)[C@H](C)Oc1cc(C(C)C)ccc1C	161090377	NTIOMVMROSYSPZ-GOEBONIOSA-N	323.433	2.399	70	20	DEID	
CCS(=O)(=O)c1cccc(CC(=O)N[C@@H](C)C2CCC2)c1	161393835	LCMBXJAOGPJZOF-LBPRGKRZSA-N	309.431	2.328	70	20	DEID	
CC[C@H](NC(=O)[C@@H](NC(=O)OC)C(C)C)c1c(C)noc1C	160030879	YIMPFSQGPCFIBB-AAEUAGOBSA-N	311.382	2.239	70	20	DEID	
CC(C)(N)CNC(=O)c1cnn(Cc2ccccc2Cl)c1	160085096	PEGJTCSZXRAOJF-UHFFFAOYSA-N	306.797	2.052	70	20	DEID	
CC(C)C(=O)N1CCC[C@@H]1C(=O)N(C)c1ccc2c(c1)OCO2	160254484	VBUHYBOPLJRCRH-CYBMUJFWSA-N	318.373	2.025	70	20	DEID	
CCc1c(C(=O)NCC(C)(C)CN(C)C)cnn1CC(C)C	160335327	VXCDQERBQZRNTG-UHFFFAOYSA-N	308.470	2.419	70	20	DEID	
CC(C)c1nnc(NC(=O)c2cccc3[nH]c(=O)oc23)s1	160363359	OFERYYAJYNLJSJ-UHFFFAOYSA-N	304.331	2.348	70	20	DEID	
Cc1conc1NC(=O)C(=O)N1CCC[C@@H]1C1CCCCC1	160437726	SHJQSGJCLXTYLY-CYBMUJFWSA-N	305.378	2.493	70	20	DEID	
CCC1(CO)CCN(C(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)CC1	160533223	OXKFOKRYDVGLNT-HUUCEWRRSA-N	310.438	2.138	70	20	DEID	
CC[C@H](C)N(C)C(=O)C(=O)Nc1cnn(-c2ccccc2)c1C	160632900	MVDOJZLWOSHLSJ-LBPRGKRZSA-N	314.389	2.376	70	20	DEID	
COCC(C)(C)C(=O)NCCOc1ncccc1C(F)(F)F	160989764	JQRTYTUUMYVGFL-UHFFFAOYSA-N	320.311	2.268	70	20	DEID	
CCOC(=O)NCCCC(=O)NCc1ncc(C(C)(C)C)o1	159845521	CWEZLNATHVKZOS-UHFFFAOYSA-N	311.382	2.115	70	20	DEID	
Cc1ccc(NC(=O)N(CCS(C)(=O)=O)C2CC2)c(C)c1	159736218	USTVQEDLWTXLAG-UHFFFAOYSA-N	310.419	2.344	70	20	DEID	
C[C@@H](c1ccccc1)[C@@H](C)NC(=O)NCC1(CO)CCOCC1	159389321	MUARZQGVARTYNT-HUUCEWRRSA-N	320.433	2.267	70	20	DEID	
COC[C@H](O)CCNC(=O)CCSc1ccccc1Cl	161262760	PRVDTKPZUDITOD-LLVKDONJSA-N	317.838	2.336	70	20	DEID	
O=S(=O)(F)N1CCC[C@@H](c2cc(-c3ccccc3)[nH]n2)C1	1887579023	QVILMVIJQQVCJE-GFCCVEGCSA-N	309.366	2.470	70	20	DEID	
CC(C)CCN(CCC#N)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1351023507	RNGAVHIZHFHGNS-UHFFFAOYSA-N	315.370	2.075	70	20	DEID	
O=C(CSc1nc2ccccc2o1)N[C@H]1CCC[C@H]1CO	217946721	VBKQEVQWYXBMOU-QWRGUYRKSA-N	306.387	2.197	70	20	DEID	
CCc1nnc(C)cc1C(=O)Nc1cccc(S(=O)(=O)F)c1	460096301	UBNYRALMMRPCKA-UHFFFAOYSA-N	323.349	2.258	70	20	DEID	
CCOC[C@@H](NC(=O)c1cccc(S(=O)(=O)F)c1)C(C)C	1354883534	BEFYYMPBFKRUQZ-CYBMUJFWSA-N	317.382	2.136	70	20	DEID	
CCc1cccc(NC(=O)C(=O)N[C@@H](C)C2CCOCC2)c1	161063865	VLQSHBCCGWNWHP-LBPRGKRZSA-N	304.390	2.119	70	20	DEID	
O=C(CNC(=O)CC1CCCC1)NCCOc1cccc(F)c1	161214436	NZPZXJQWRJRXFG-UHFFFAOYSA-N	322.380	2.017	70	20	DEID	
O=c1c2ccoc2ccn1CCS(=O)(=O)c1ccccc1	161406340	WOUGBTTZBYOBQP-UHFFFAOYSA-N	303.339	2.068	70	20	DEID	
CCCN(CC1CC1)S(=O)(=O)N[C@@H](C)c1cccc(O)c1	160169474	JTAAAXOXCDOOFX-LBPRGKRZSA-N	312.435	2.410	70	20	DEID	
O=C(Nc1ccn(-c2ccccc2)n1)N[C@H]1CC[C@H](O)CC1	160351876	PMGASBLDFWJDIJ-XBXGTLAGSA-N	300.362	2.297	70	20	DEID	
C[C@@H](CO)N(C)C(=O)COc1ccc(Oc2ccccn2)cc1	160385155	QQWNRCMIILDMPQ-ZDUSSCGKSA-N	316.357	2.092	70	20	DEID	
CCCC1(CNC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)CC1	160754906	JFDNEUOMNOVDOA-CQSZACIVSA-N	315.417	2.127	70	20	DEID	
CCOC(=O)[C@H](Cc1ccccc1)NCc1cn(C)nc1CC	159545941	HSSSPHLRYXUYHJ-KRWDZBQOSA-N	315.417	2.247	70	20	DEID	
CC[C@H](CCO)CNC(=O)NC[C@@H]1CCCCN1CC(C)C	161016840	OEEOTNLGMRRGSC-CVEARBPZSA-N	313.486	2.205	70	20	DEID	
CN(CCN1C(=O)NC2(CCCC2)C1=O)c1ccccc1F	160020515	LAKUTJDGADDOAC-UHFFFAOYSA-N	305.353	2.127	70	20	DEID	
CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2c(C)n[nH]c2C)C1	160370613	ZJZZCJYUNSCIET-ZWNOBZJWSA-N	306.410	2.250	70	20	DEID	
CCc1cc(NC(=O)N2CCOC[C@H]2c2ccc(C)o2)n(C)n1	160422001	UOTGCAQFOAUSKK-ZDUSSCGKSA-N	318.377	2.489	70	20	DEID	
O=C(NCc1nccs1)Nc1ccn(CC(F)(F)F)n1	160647460	FJGWOYRIPANXKQ-UHFFFAOYSA-N	305.285	2.224	70	20	DEID	
CC(C)CN1CCC[C@@H]1CNC(=O)N[C@@H]1CCC[C@H](N(C)C)C1	160911746	SREFJOVVHIUZKT-IXDOHACOSA-N	324.513	2.279	70	20	DEID	
CC[C@H](O)CCNC(=O)NCCc1ccc(OC(C)C)cc1	160959989	DGXMHNRINHWNFS-HNNXBMFYSA-N	308.422	2.477	70	20	DEID	
O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)[C@@H]1CCCCO1	159889739	HMBAVARWZGYBQX-NSHDSACASA-N	319.329	2.191	70	20	DEID	
COc1ccc(N(C)C(=O)COC[C@@H]2CCOC2)cc1Cl	159913104	BISNVFLHDFAUDU-LLVKDONJSA-N	313.781	2.365	70	20	DEID	
CC(C)OCCN1CCN(c2nc(C(C)(C)C)ns2)CC1	159790815	UTPAWRPEVHSCIB-UHFFFAOYSA-N	312.483	2.383	70	20	DEID	
O=C(NCc1ccc(O)cc1)c1ccncc1Br	159611994	RAAOEPIVDORDSO-UHFFFAOYSA-N	307.147	2.480	70	20	DEID	
NS(=O)(=O)c1cccnc1N[C@H]1CCCc2sccc21	161071053	BBSZLEVMQVRDFX-JTQLQIEISA-N	309.416	2.280	70	20	DEID	
CCCN(CC)CCNS(=O)(=O)c1c(C)cc(F)cc1C	217902790	UMEAVNPYVLTFNK-UHFFFAOYSA-N	316.442	2.453	70	20	DEID	
COC(=O)CCCS(=O)(=O)N1CC[C@H](C)[C@@H]2CCCC[C@@H]21	218718095	VEKZHRYSPFEDKB-IHRRRGAJSA-N	317.451	2.170	70	20	DEID	
C/C(=C\C(=O)Nc1ccc(S(=O)(=O)F)cc1)c1cnccn1	865205312	WQHOXMYHOIAAMJ-CSKARUKUSA-N	321.333	2.177	70	20	DEID	
CC(C)(CS(=O)(=O)Cl)NC(=O)OCc1ccccc1	165679675	NCXLKBCTVMCOFO-UHFFFAOYSA-N	305.783	2.260	70	20	DEID	
CC[C@H]1CCCC[C@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1339472247	MBYDTCPDRNDDEW-GXSJLCMTSA-N	302.371	2.372	70	20	DEID	
O=C(/C=C\c1nccs1)Nc1ccc(S(=O)(=O)F)cc1	1262730693	HXJFIMYDCRJIEC-WAYWQWQTSA-N	312.347	2.453	70	20	DEID	
CCC(CC)[C@H](O)CNC(=O)Nc1cc(C(=O)OC)cs1	161013078	NWWFDICPEKYTCI-LLVKDONJSA-N	314.407	2.453	70	20	DEID	
COc1ccc(CNC(=O)c2csc([C@H]3CCCO3)n2)cn1	161249177	JFQMJYRTIQJXPR-GFCCVEGCSA-N	319.386	2.328	70	20	DEID	
CC[C@@H](C)CN(CC)[C@@H](C)C(=O)N1CCC(C(=O)OC)CC1	160529779	BTPCCNGIQFZLBR-KGLIPLIRSA-N	312.454	2.155	70	20	DEID	
CCCC1(CNC(=O)CCNC(=O)OCC(F)(F)F)CC1	160567526	OXGAJLCDNRCCNM-UHFFFAOYSA-N	310.316	2.362	70	20	DEID	
C[C@H]1Cc2ccc(F)cc2[C@H]1NCC(=O)NCC(F)(F)F	160630887	ALMFOIGCZGNWKX-SDBXPKJASA-N	304.287	2.327	70	20	DEID	
Cc1cc(N2CCOCC2)ccc1NC(=O)N[C@@]1(C)CCOC1	160701716	YSFGLKSHSSHDBY-KRWDZBQOSA-N	319.405	2.132	70	20	DEID	
CCC(=O)N1CC[C@H](NC(=O)C(C)(C)c2ccc(OC)cc2)C1	160798260	UWLDPDKHHXAZJX-AWEZNQCLSA-N	318.417	2.100	70	20	DEID	
CC(C)CSCCCNC(=O)CCNC(=O)C(C)(C)C	160816037	NWKCUVRFEPQMOU-UHFFFAOYSA-N	302.484	2.434	70	20	DEID	
CC(C)(C)c1ccc([C@H](O)CNC(=O)[C@@H]2CCCNC2)cc1	160972116	DERKQHZZHONFDI-GDBMZVCRSA-N	304.434	2.133	70	20	DEID	
O=C(Nc1ccc(COC2CCCC2)cc1)[C@H]1COCCN1	159600090	KJPUTLSDMHSOIL-MRXNPFEDSA-N	304.390	2.073	70	20	DEID	
CN(C)CCCOC1CCN(C(=O)CCCn2cccc2)CC1	159805923	KQAIIVGCQQJMNH-UHFFFAOYSA-N	321.465	2.228	70	20	DEID	
COC[C@@H](NC(=O)NCC(C)(C)[C@@H](O)C(C)C)c1ccco1	159410838	GHSHUWPMEXYVOQ-OCCSQVGLSA-N	312.410	2.309	70	20	DEID	
COc1cccc2c1OCC(C(=O)NCC1(N)CCCCC1)=C2	159484611	IPDKWDPAKPABDT-UHFFFAOYSA-N	316.401	2.249	70	20	DEID	
Cc1ccc(C)c(-n2ncc(C(=O)Nc3n[nH]c(C)n3)c2C)c1	159518392	FUGJGPQDCZLCGP-UHFFFAOYSA-N	310.361	2.476	70	20	DEID	
CCC(CC)C(=O)N1CCC(NC(=O)CO[C@H](C)CC)CC1	159549433	XXRWIXIRVKILSF-CYBMUJFWSA-N	312.454	2.345	70	20	DEID	
COCc1cc([C@@H](C)NCCc2cnn(C)c2)ccc1OC	159748284	LVMVWSVGLRAYNS-CYBMUJFWSA-N	303.406	2.468	70	20	DEID	
C[C@@H](C(=O)N1CCC(NCC2CC2)CC1)[C@@H](N)c1ccccc1	159788160	BVLIVLQJSOLORY-RDTXWAMCSA-N	315.461	2.313	70	20	DEID	
CCOc1ccccc1NC(=O)N[C@@H]1CC(=O)N(C(C)C)C1	217288876	SLIWZKFIJDMMOP-GFCCVEGCSA-N	305.378	2.216	70	20	DEID	
CC[C@H](C)c1ccccc1OCC(=O)NCC[C@H](O)COC	161038378	VZPTWRUAYKQGRP-KBPBESRZSA-N	309.406	2.093	70	20	DEID	
C[C@@H]1CCN(C(=O)C[C@@H]2CNCCO2)[C@H]1c1cccc(F)c1	161486846	MHUPYMONMCGRNY-SRCQZFHVSA-N	306.381	2.114	70	20	DEID	
CC(=O)N(C)CC(=O)N[C@H](c1cccc(C)c1)c1ccccn1	160041423	XYISMEGWIUZAHU-GOSISDBHSA-N	311.385	2.074	70	20	DEID	
CC[C@@H]1CN(C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)CCO1	160200017	RNFCNWWZAHMWDC-GDBMZVCRSA-N	320.389	2.497	70	20	DEID	
CCC(=O)N[C@@H]1CCCN(C(=O)C[C@H](C)c2ccncc2)C1	160295198	PFROPPBQKLLLGB-DZGCQCFKSA-N	303.406	2.092	70	20	DEID	
COCCN(Cc1ccccc1)Cc1c[nH]c(C(=O)OC)c1	160449172	MFKTUMCDBXDEAQ-UHFFFAOYSA-N	302.374	2.450	70	20	DEID	
COc1ccsc1C(=O)N1CCOC[C@H]1[C@H]1CCCCC1=O	160486656	MUMCOCSKSWJNLM-NEPJUHHUSA-N	323.414	2.357	70	20	DEID	
CN[C@@H]1CCN(C(=O)c2cnc(-c3ccc(OC)cc3)s2)C1	160684112	GWHGUOJZNYSGNN-GFCCVEGCSA-N	317.414	2.253	70	20	DEID	
N[C@@H]1CCC[C@H](NC(=O)c2cccnc2OCC(F)(F)F)C1	160779855	LCDUWPRXACQLCB-ZJUUUORDSA-N	317.311	2.022	70	20	DEID	
Cc1cc(NC(=O)C[C@H]2COC(=O)C2)n(Cc2ccccc2)n1	160865289	AHXMZWOYVCSYGN-CQSZACIVSA-N	313.357	2.132	70	20	DEID	
CN(Cc1ccc(O)cc1)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	160938843	OKAJNUAYKHFEJF-XHSDSOJGSA-N	316.401	2.491	70	20	DEID	
C[C@@H](CC(=O)N[C@@](C)(C(N)=O)c1ccccc1)c1ccncc1	159830317	SGWKQFJFXMBZDH-SCLBCKFNSA-N	311.385	2.092	70	20	DEID	
O=C(CCCOc1cccnc1)N1CCC(NCC2CC2)CC1	159865116	YKWBTAKSNKFFFN-UHFFFAOYSA-N	317.433	2.231	70	20	DEID	
CCOC(=O)CN(C)[C@H](C)c1nc(Cc2ccccc2)no1	159705995	OVBVCRMZOJNYMD-GFCCVEGCSA-N	303.362	2.216	70	20	DEID	
COc1ccccc1C(=O)N(C)CC(C)(C)CN1CCOCC1	159914172	NTOVOBKSDNROLI-UHFFFAOYSA-N	320.433	2.126	70	20	DEID	
CSCCCCC(=O)N1CCN(Cc2cccnc2)CC1	159386482	UVEKHUWTIJVBOX-UHFFFAOYSA-N	307.463	2.259	70	20	DEID	
CCN(C(=O)[C@@H](C)N(C)Cc1cnn(C)c1)C1CCCCC1	161063612	HZYLAZHMLGKVQK-CQSZACIVSA-N	306.454	2.422	70	20	DEID	
CC(C)CCn1ccc(NC(=O)NCCOC[C@@H]2CCCO2)n1	161148594	BKTSDVJEFAJWEV-AWEZNQCLSA-N	324.425	2.246	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)c1cn(C)nc1-c1cccs1	160110168	GPGACAXLSUMUNB-SNVBAGLBSA-N	321.402	2.220	70	20	DEID	
C[C@H](C(=O)NCCS(=O)(=O)C(C)(C)C)c1cccs1	160217611	ONIYGCCHXFZCPL-JTQLQIEISA-N	303.449	2.181	70	20	DEID	
Cc1ccc(CNC(=O)N(CCN(C)C)C2CCCC2)cn1	160455326	MORLIJQKVKVOAN-UHFFFAOYSA-N	304.438	2.406	70	20	DEID	
O=C(CN[C@@H](Cc1ccccc1)C1CC1)NCC(F)(F)F	160526863	BHOOJFRFWHRUNC-ZDUSSCGKSA-N	300.324	2.276	70	20	DEID	
CCc1nc2n(n1)C[C@@H](NC(=O)[C@H](C)c1cccs1)CC2	160705819	SUVPWFNSEZSJRT-MNOVXSKESA-N	304.419	2.137	70	20	DEID	
Cc1[nH]c(C(=O)N[C@H](CCO)C(C)C)c(C)c1C(=O)OC(C)C	160776789	XOBLENYLUKBCLI-CYBMUJFWSA-N	324.421	2.334	70	20	DEID	
CCCC1(CNC(=O)c2c(C)oc3ncn(C)c(=O)c23)CC1	160831522	NLTKUOBBQWYSOP-UHFFFAOYSA-N	303.362	2.145	70	20	DEID	
Cc1c(CNC(=O)N[C@H]2CCCOc3ccccc32)cnn1C	160843751	FMUXUDTXENQSEI-HNNXBMFYSA-N	314.389	2.442	70	20	DEID	
Cc1cc(NC(=O)C(=O)Nc2ccc(C(C)C)cc2)n(C)n1	159800956	KELUIGBFSFYSSS-UHFFFAOYSA-N	300.362	2.429	70	20	DEID	
CN(Cc1nc(Cc2ccccc2)no1)C[C@H]1CCC[C@@H]1O	159461248	JOVZFKITCDSCTR-CABCVRRESA-N	301.390	2.253	70	20	DEID	
COC[C@@H](O)CNC(=O)c1[nH]c2ccc(Cl)cc2c1Cl	159497705	IGOVILKKHDNSGE-QMMMGPOBSA-N	317.172	2.212	70	20	DEID	
CC1(O)CCN(C(=O)COc2ccc(F)cc2Cl)CC1	161307247	MSHSOABGRCGWCK-UHFFFAOYSA-N	301.745	2.231	70	20	DEID	
O=[N+]([O-])c1cc(S(=O)(=O)Cl)c(F)cc1OC(F)F	127627177	PKADMQPIEYWUIJ-UHFFFAOYSA-N	305.617	2.263	70	20	DEID	
CCO[C@@H](C(=O)Nc1ccc(S(=O)(=O)F)cc1)C1CC1	460092513	LXBRILYZAXHRLQ-GFCCVEGCSA-N	301.339	2.098	70	20	DEID	
CC[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1121032843	ZSDZBFNUPKTWIB-SNVBAGLBSA-N	302.371	2.325	70	20	DEID	
Cc1ccccc1C1(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1340629313	IGPYMBDGVLJWRA-UHFFFAOYSA-N	322.361	2.400	70	20	DEID	
CC[C@@H](C)OCC(=O)N[C@H](CN1CCCC1=O)c1ccccc1	161009701	NXMQGFLUFRMNEN-GDBMZVCRSA-N	318.417	2.281	70	20	DEID	
CN(CC1CCN(C(=O)C(C)(C)C)CC1)C[C@H]1CCC[C@@H]1O	161032614	RLJLYXNMQIXFHF-CVEARBPZSA-N	310.482	2.364	70	20	DEID	
C[C@@H](CNC(=O)NOCc1cccnc1)N(C)c1ccccc1	161074055	SYWAFUMGTJSHBM-AWEZNQCLSA-N	314.389	2.337	70	20	DEID	
CCC(CC)(CN)C(=O)NC[C@H](C[C@@H](C)O)c1ccccc1	161259846	QRYJXPNEIIMONM-ZBFHGGJFSA-N	306.450	2.422	70	20	DEID	
Cn1ccnc1-c1cccc(NC(=O)[C@@H]2CCn3ccnc3C2)c1	160121813	PSGGMJRFNSIWTR-CQSZACIVSA-N	321.384	2.485	70	20	DEID	
CCN(CC)CCC[C@@H](C)NC(=O)[C@H]1CCn2ccnc2C1	160225773	MXVHKLSKNFDVLP-CABCVRRESA-N	306.454	2.072	70	20	DEID	
COC[C@H](O)CCNC(=O)Nc1cccc(COC(C)C)c1	160254457	PFAYHTRWKQJBBU-OAHLLOKOSA-N	310.394	2.131	70	20	DEID	
CCC(N)(CC)CNC(=O)CCC(=O)c1ccc(OC)cc1	160473264	PQJSSLGDLQPOFK-UHFFFAOYSA-N	306.406	2.292	70	20	DEID	
O=C1NCCN(Cc2cnc3ccccn23)[C@H]1c1ccccc1	160536919	QXJYMSCENIDXGL-KRWDZBQOSA-N	306.369	2.007	70	20	DEID	
O=C1CC[C@H]2CN(C(=O)Cc3ccccc3Cl)CC[C@H]2N1	160638562	ORZGRTFOQQWXDG-GXTWGEPZSA-N	306.793	2.010	70	20	DEID	
O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CCCCO1	160697209	GFBJJVKMFMDPNC-KRWDZBQOSA-N	302.418	2.336	70	20	DEID	
CCc1nc2n(n1)C[C@@H](NC(=O)[C@@H](C)c1ccsc1)CC2	160707346	WNNPKDNMLXKACD-JQWIXIFHSA-N	304.419	2.137	70	20	DEID	
CN[C@H]1CCN(C(=O)c2cccnc2SC(F)(F)F)C1	160711492	MYYKNGNZQAIKDV-QMMMGPOBSA-N	305.325	2.127	70	20	DEID	
CN[C@H]1CCN(C(=O)c2occc2COc2ccccc2)C1	160729785	BEUZCPVGPDCLFD-AWEZNQCLSA-N	300.358	2.293	70	20	DEID	
CC(C)(C)c1ccc([C@H](O)CNC(=O)[C@H]2CCCCN2)cc1	160970212	GYZKWUXQTCTBOS-HZPDHXFCSA-N	304.434	2.276	70	20	DEID	
NC1(CNC(=O)c2cccc(NC(=O)C3CC3)c2)CCCCC1	159612889	VLTZKLRNNAQWHE-UHFFFAOYSA-N	315.417	2.427	70	20	DEID	
Cc1ccccc1CNC(=O)[C@@H](C)SCCN1CCOCC1	159911626	WRJYUWWDBBAXFT-OAHLLOKOSA-N	322.474	2.065	70	20	DEID	
CC(C)(CCC#N)CNC(=O)c1ccc(S(=O)(=O)F)cc1	864242091	UXTGZFQUDYBXPV-UHFFFAOYSA-N	312.366	2.405	70	20	DEID	
CC[C@@]1(C)C[C@H]1C(=O)Nc1nc(C)c(SCC(N)=O)s1	161026775	QGGOQBAMHBBGGZ-SDBXPKJASA-N	313.448	2.404	70	20	DEID	
CCO[C@H](CCN(C)C)CNC(=O)C[C@H](C)c1ccncc1	161098439	RSMYNRPMRNPZPC-GOEBONIOSA-N	307.438	2.048	70	20	DEID	
N[C@@H]1CCC[C@H](NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)C1	161125614	OEIWXZARQSWWRQ-NEPJUHHUSA-N	324.808	2.040	70	20	DEID	
CC[C@@H](Cc1cccc(Br)c1)C(=O)N1CC(O)C1	161497951	RYOXZZIJGLNHBS-NSHDSACASA-N	312.207	2.221	70	20	DEID	
COCCOc1cccc(C(=O)NCCc2cccc(O)c2)c1	160236264	PRZSJXNRNJIHIY-UHFFFAOYSA-N	315.369	2.390	70	20	DEID	
O[C@H](Cc1ccccc1)CN1CCN(c2cccs2)CC1	160303249	GVCGUBQVKPNPOP-MRXNPFEDSA-N	302.443	2.474	70	20	DEID	
CC(C)c1nn(-c2ccccc2)cc1CN1CCC[C@@H]1C(N)=O	160305492	SCVVKMAYBOTOIC-MRXNPFEDSA-N	312.417	2.445	70	20	DEID	
Cn1cc(CCC(=O)N[C@H]2CCOC3(CCCCC3)C2)cn1	160327307	YIRQQQRAAWCPMQ-HNNXBMFYSA-N	305.422	2.351	70	20	DEID	
CC(C)Cn1cc(NC(=O)C(=O)Nc2cccc(F)c2F)cn1	160372002	UYHBOERJCTYPTH-UHFFFAOYSA-N	322.315	2.395	70	20	DEID	
Cc1cc(C)c(C(=O)N2CCOC[C@@H]2[C@H]2CCCCC2=O)o1	160389099	ZBLDOKIVIJBVRN-ZIAGYGMSSA-N	305.374	2.497	70	20	DEID	
CN1CCN(C(=O)c2cnc3c(c2)ncn3C)c2ccccc21	160470123	ICUJKDSGDZBRMT-UHFFFAOYSA-N	307.357	2.065	70	20	DEID	
COc1cccc(C(=O)N2CCOC[C@@H]2[C@H]2CCCCC2=O)c1	160528242	LYOQNSYEFWWWRB-HZPDHXFCSA-N	317.385	2.296	70	20	DEID	
NC(=O)CC1CCN(C(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)CC1	160873219	GXHXOKZRVMOVJR-OLZOCXBDSA-N	322.355	2.182	70	20	DEID	
CCN1CCN(C(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)CC1	160926527	LHWWWKOPXCFVQD-IRXDYDNUSA-N	317.433	2.254	70	20	DEID	
CCNCC1CCN(C(=O)c2ccccc2-n2cccn2)CC1	160997968	GFGTYBGSMJKEQH-UHFFFAOYSA-N	312.417	2.334	70	20	DEID	
O=S(=O)(CCCF)N[C@@H](C[C@@H]1CCOC1)c1ccccc1	159817773	QSEMAIICLNFTFV-ZFWWWQNUSA-N	315.410	2.433	70	20	DEID	
COc1ccc(NC(=O)N2CCC[C@@H]2c2nncn2C)cc1F	159474616	KUXCAGXTBCUZDT-GFCCVEGCSA-N	319.340	2.332	70	20	DEID	
CCN(CC)C(=O)[C@@H]1CCCN1C(=O)c1cccc2[nH]cnc12	159483592	IABNILZGQULCIK-AWEZNQCLSA-N	314.389	2.036	70	20	DEID	
Cc1csc(N2CCN(C(=O)[C@H]3CCC(=O)C[C@@H]3C)CC2)n1	159889748	WXYYOECYJKNGDJ-FZMZJTMJSA-N	321.446	2.105	70	20	DEID	
O=C(NCC1(CO)CCOCC1)Nc1ccc(Cl)cc1F	159705628	NPPLFGFEJAIDJB-UHFFFAOYSA-N	316.760	2.390	70	20	DEID	
CCOC(=O)CN(Cc1n[nH]c(CC)n1)[C@@H](C)c1ccccc1	159516966	CENPENLWFDRKSK-ZDUSSCGKSA-N	316.405	2.493	70	20	DEID	
CCCCn1ncc(NC(=O)N(CCOC)CCOC)c1C	159740786	IPQWIJSDSZQIMX-UHFFFAOYSA-N	312.414	2.118	70	20	DEID	
CC(=O)c1ccc(NC(=O)N[C@H]2CC(=O)N(C(C)C)C2)cc1	217288260	BPHIUJXATCQVGZ-AWEZNQCLSA-N	303.362	2.020	70	20	DEID	
C[C@@H]1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)F)c(F)c2)CCO1	857674582	MBNTUAOJSLRLFL-BDAKNGLRSA-N	319.329	2.238	70	20	DEID	
C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H]2CCCC[C@H]12	1123743433	QBQHMDKIAIAIAM-IRUJWGPZSA-N	314.382	2.324	70	20	DEID	
Cn1ccnc1[C@H](O)C1CCN(C(=O)NC2CCCCC2)CC1	161153657	XFMBQWXXYKYCSL-OAHLLOKOSA-N	320.437	2.208	70	20	DEID	
C[C@H](NCc1cccc(C(=O)NCCN(C)C)c1)c1ccco1	161258180	QPDGESMXJSKEKC-AWEZNQCLSA-N	315.417	2.422	70	20	DEID	
CC(C)C[C@@H]1CCCN(C(=O)NC[C@H]2CCCS2(=O)=O)C1	160115990	WOEZLVLNXHJVBM-UONOGXRCSA-N	316.467	2.031	70	20	DEID	
CCCCn1ncc(NS(=O)(=O)c2c(C)n[nH]c2C)c1C	160155552	IFFWGTJPPRUORG-UHFFFAOYSA-N	311.411	2.132	70	20	DEID	
Cc1cc(C(=O)N2CCC[C@@H]2CN)c(C)n1Cc1ccccn1	160277611	MTLUKZKIEVFOKR-MRXNPFEDSA-N	312.417	2.112	70	20	DEID	
CC[C@@H](COC)NS(=O)(=O)c1cc(C)c(OC)c(C)c1	160292570	SRNJGEINUKSARC-LBPRGKRZSA-N	301.408	2.015	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)CCCc1ccc(OC)cc1	160380374	GBDJAEBOVCIGTK-ZDUSSCGKSA-N	307.390	2.476	70	20	DEID	
O=C1CCc2ccc(NC(=O)[C@H]3C[C@@H]4CCCC[C@@H]4N3)cc2N1	160412428	FTGPSRFRDBKYOS-DUVNUKRYSA-N	313.401	2.431	70	20	DEID	
CN(Cc1ccncc1)C(=O)N[C@H]1CCN(C2CCCC2)C1	160849970	PXYPAFHHEMFFNJ-HNNXBMFYSA-N	302.422	2.240	70	20	DEID	
CS(=O)(=O)Cc1ccc(C(=O)NCC2(C3CC3)CC2)cc1	159845851	IHJRREMYXJKEHT-UHFFFAOYSA-N	307.415	2.151	70	20	DEID	
CCC(CC)(CNCC[S@](=O)c1ccccc1)C(=O)OC	159653908	LBPWMYWGUDVTMY-OAQYLSRUSA-N	311.447	2.363	70	20	DEID	
CC1(NC(=O)NCCc2cc(F)cc3c2OCOC3)CCC1	159369264	JYXDXDPOUIMQHM-UHFFFAOYSA-N	308.353	2.477	70	20	DEID	
CC(C)OCCNC[C@H](O)COCc1ccccc1Cl	160195941	OCYKDVANXCIDKJ-AWEZNQCLSA-N	301.814	2.232	70	20	DEID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)c1ccc2cccnn12	776364036	PZFWMZNJMKVTQO-UHFFFAOYSA-N	319.317	2.245	70	20	DEID	
CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CCC(F)(F)CC1	1121095475	RZENYVQGVTVMER-UHFFFAOYSA-N	324.324	2.323	70	20	DEID	
COCC(C)(C)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1	161229260	QPGMIHHTHSFFHW-AWEZNQCLSA-N	319.449	2.396	70	20	DEID	
CNC[C@H]1CCCN1C(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1	161308465	LQZBCXCEQHXQPE-DAXOMENPSA-N	315.417	2.105	70	20	DEID	
O=C(NCc1ccc(COC2CCOCC2)cc1)c1cc[nH]n1	161455257	VCMOMYYAGDFCAJ-UHFFFAOYSA-N	315.373	2.035	70	20	DEID	
CC(C)(CCC(=O)NC[C@@H]1CCCS1(=O)=O)c1ccccc1	160163856	UGABUENXYFIHGH-HNNXBMFYSA-N	323.458	2.438	70	20	DEID	
CCOc1ccc(/C=C/C(=O)N2CCC[C@H]2CN)cc1OCC	160247969	CPTRHPKPMUCFRG-HQPKTYMTSA-N	318.417	2.447	70	20	DEID	
Cc1ccc(-c2nnc(NC(=O)c3[nH]nc4c3CCCC4)[nH]2)o1	160251352	BUJLBLJBPMBHMU-UHFFFAOYSA-N	312.333	2.227	70	20	DEID	
CC(C)[C@H](O)C(C)(C)CNC(=O)N[C@H]1CCO[C@H](C2CC2)C1	160437185	HLFNASMNCRPXAG-KKUMJFAQSA-N	312.454	2.286	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)c1cc(-c2cccs2)n[nH]1	160438121	ZTCCQANCNXSBTI-VIFPVBQESA-N	307.375	2.210	70	20	DEID	
Cc1nn(C)c(Cl)c1C(=O)N(C)c1ccc2c(c1)OCO2	160545723	UVGRFMPUESFSIZ-UHFFFAOYSA-N	307.737	2.387	70	20	DEID	
Cc1c(CNC(=O)N[C@@H]2CCCOc3ccccc32)cnn1C	160843624	FMUXUDTXENQSEI-OAHLLOKOSA-N	314.389	2.442	70	20	DEID	
CCN1CCCN(C(=O)NCc2ccccc2COC)CC1	159617312	XPBJCMULNSJPII-UHFFFAOYSA-N	305.422	2.070	70	20	DEID	
O=C(NCCc1ccccc1)Nc1ccnn1C[C@@H]1CCOC1	159484333	MSDNKZHIPTXYRE-HNNXBMFYSA-N	314.389	2.284	70	20	DEID	
CCc1ccc([C@@H](CO)NC(=O)N[C@@H](C)C2CCOCC2)cc1	159961233	SPIGLTJJIIRSHK-SUMWQHHRSA-N	320.433	2.397	70	20	DEID	
O=C1CCc2cc(C(=O)N[C@@H]3CCC[C@H]4OCC[C@H]34)ccc2N1	159789350	IRNZRYLIWPVNPI-FVQBIDKESA-N	314.385	2.259	70	20	DEID	
Cc1nc(CC(=O)Nc2cccc(S(=O)(=O)F)c2)cs1	769661786	IPRSYPYWYDLKOL-UHFFFAOYSA-N	314.363	2.291	70	20	DEID	
CN(CCc1cccs1)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1348646261	FRXLNVUIRXISFD-UHFFFAOYSA-N	316.379	2.049	70	20	DEID	
C[C@@H]1CN(C(=O)Cc2ccc(S(=O)(=O)F)cc2)[C@@H](C)[C@H]1C	1518248520	JOZWKSPKLAUJKX-WOPDTQHZSA-N	313.394	2.390	70	20	DEID	
Cc1cc(C)c(NC(=O)C(=O)N[C@H](C)C2CCOCC2)c(C)c1	161081751	VANGGOYQTBOTAV-CQSZACIVSA-N	318.417	2.482	70	20	DEID	
CC(C)(C)NC(=O)NC(=O)COc1ccc(Cl)c(F)c1	161139414	KSYUFVHMBIQVEE-UHFFFAOYSA-N	302.733	2.482	70	20	DEID	
CCc1noc(C)c1NC(=O)C(=O)N1CC[C@H](C)C[C@H](C)C1	161159221	CCYSASJSVVYCAK-QWRGUYRKSA-N	307.394	2.379	70	20	DEID	
O=C(NCCSCCCO)c1cnc(-c2ccccn2)s1	161452479	NQVPSBLVODWUIN-UHFFFAOYSA-N	323.443	2.051	70	20	DEID	
C[C@H]1CC[C@H](C)N1C(=O)Cn1cc(Br)ccc1=O	161458642	AVZOKSFJNQQCEA-UWVGGRQHSA-N	313.195	2.010	70	20	DEID	
CCCCOCCNC(=O)Nc1cccc(-c2ncn(C)n2)c1	161493979	HAFFSUIDHMWORP-UHFFFAOYSA-N	317.393	2.420	70	20	DEID	
CCCO[C@H]1CCCN(C(=O)[C@@H]2CCn3ccnc3C2)CC1	161510741	OIBZSZVRKWDMJW-CABCVRRESA-N	305.422	2.253	70	20	DEID	
C[C@H](NC(=O)c1cccc(-n2ccnn2)c1)c1cccc(O)c1	160261318	GLKJLOCUYJBKHX-LBPRGKRZSA-N	308.341	2.464	70	20	DEID	
C[C@H]1CCCN(CCNC(=O)N(CCN(C)C)C2CCCC2)C1	160275671	XHJWZLJSJIXAQD-INIZCTEOSA-N	324.513	2.234	70	20	DEID	
CCOc1c(Cl)cc(C(=O)NC[C@H](C)CO)cc1OC	160491424	MSVPXDROCNTHAB-VIFPVBQESA-N	301.770	2.106	70	20	DEID	
Cn1cnc(-c2ccc(NC(=O)N[C@@H]3CCCSC3)cc2)n1	160647457	HUXAEENVDXHLPE-CYBMUJFWSA-N	317.418	2.499	70	20	DEID	
COc1ccc(NS(=O)(=O)Cc2cccc(F)c2)c(C)n1	160667004	RXFRZLRPUFWTOO-UHFFFAOYSA-N	310.350	2.480	70	20	DEID	
CN[C@@H]1CCN(C(=O)[C@@H](C)Oc2ccc(F)cc2Cl)C1	160813830	QBICGCMEIXBWAU-MWLCHTKSSA-N	300.761	2.067	70	20	DEID	
CCN(CCS(C)(=O)=O)C(=O)Nc1cc(F)ccc1C	159933376	QUKNLXZZLIFOIB-UHFFFAOYSA-N	302.371	2.033	70	20	DEID	
Cc1nn(C)c(C)c1[C@H](OC(=O)Cn1cccn1)C(F)(F)F	159994524	SXBLMLOKTSBKOV-LBPRGKRZSA-N	316.283	2.080	70	20	DEID	
COc1ccc(C)nc1NC(=O)c1ccc(S(=O)(=O)F)cc1	1121237062	HNPQFTKXWXTMAA-UHFFFAOYSA-N	324.333	2.309	70	20	DEID	
CO[C@H]1CC[C@H](OC(=O)c2ccc(S(=O)(=O)F)cc2C)C1	1338918462	WDCXMLMDPSNOJS-QWRGUYRKSA-N	316.350	2.378	70	20	DEID	
CCS(=O)(=O)c1ccccc1C(=O)Nc1ccccc1O	161183110	FCQMUDZCMKTKHG-UHFFFAOYSA-N	305.355	2.438	70	20	DEID	
O=c1onc(-c2cccnc2)n1CCOc1cccc(F)c1	161271081	TZPBUYRUULWLKQ-UHFFFAOYSA-N	301.277	2.116	70	20	DEID	
CS[C@H](C)CC(=O)NCCCS(=O)(=O)c1ccccc1	161307998	VUPDPUGYFTUBLZ-GFCCVEGCSA-N	315.460	2.108	70	20	DEID	
C[C@@H]1Cc2cc(S(=O)(=O)NCC3(C4CC4)CC3)ccc2O1	160193617	PCWCPWXFOBHUHL-LLVKDONJSA-N	307.415	2.479	70	20	DEID	
Cc1nc2n(n1)C[C@H](N[C@@H](C)c1ccc3c(c1)OCCO3)CC2	160451640	VJNMZENUSIGUQX-SMDDNHRTSA-N	314.389	2.023	70	20	DEID	
O=S(=O)(c1cccnc1)N(Cc1cccc(O)c1)CC1CC1	160523586	ZEPAQPJPCPMORX-UHFFFAOYSA-N	318.398	2.388	70	20	DEID	
Cc1noc(CNC(=O)Nc2cc(Cl)ccc2N(C)C)n1	160550778	JGJZKVJCIVTTHI-UHFFFAOYSA-N	309.757	2.419	70	20	DEID	
CC(C)(C)S(=O)(=O)CC(=O)NCCc1ccc(Cl)s1	160786948	XQGUNEICPIHVFP-UHFFFAOYSA-N	323.867	2.274	70	20	DEID	
Cc1c(/C=C/C(=O)NC[C@]2(N(C)C)CCC[C@H](C)C2)cnn1C	160779731	GXIWOKAMTOSESL-KGYPOUGPSA-N	318.465	2.368	70	20	DEID	
CCOC(=O)C[C@@H](C)Sc1nc(C(C)C)nc(N(C)C)n1	159802698	LOTKXUQHWKAGGR-SNVBAGLBSA-N	312.439	2.495	70	20	DEID	
C[C@@H](NC(=O)C1(NC(N)=O)CC1)c1ccc(C(F)(F)F)cc1	159842040	FTAODGQWSAYTON-MRVPVSSYSA-N	315.295	2.084	70	20	DEID	
O=S(=O)(c1ccccc1-c1ccccc1)N1CCC[C@@H]1CO	159869164	OIPTXFHAYUPVHQ-OAHLLOKOSA-N	317.410	2.499	70	20	DEID	
C[C@@H](C(=O)Nc1nc2ccc(F)cc2s1)N(C)C[C@@H](C)O	159486145	VCVHNSZPYRJCJR-BDAKNGLRSA-N	311.382	2.075	70	20	DEID	
CCN1CCCN(C(=O)N[C@H](C)COc2cccc(C)c2)CC1	159732675	APLFDEJJHMKJQJ-MRXNPFEDSA-N	319.449	2.500	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)COc1ccc2c(c1)CCCC2	159563687	NJEVGGBYLONEAJ-ZDUSSCGKSA-N	319.401	2.402	70	20	DEID	
Cc1cc(NC(=O)C[C@@H]2COC(=O)C2)n(-c2ccc(F)cc2)n1	159398287	MSZADLAVTNEDCY-NSHDSACASA-N	317.320	2.212	70	20	DEID	
C[C@H]1CC(=O)CC[C@@H]1C(=O)Nc1cccc(S(=O)(=O)F)c1	274680368	WSQVVBREDFWBHB-ZANVPECISA-N	313.350	2.289	70	20	DEID	
CC[C@]1(C)C[C@H]1C(=O)Nc1nc(C)c(SCC(N)=O)s1	161026644	QGGOQBAMHBBGGZ-ISVAXAHUSA-N	313.448	2.404	70	20	DEID	
CNC(=O)COc1cccc(CC(=O)N[C@@H]2CCC[C@H](C)C2)c1	161053033	XNCHJPDNSYTECY-DZGCQCFKSA-N	318.417	2.049	70	20	DEID	
Cc1c(F)cccc1NC(=O)C(=O)N[C@H](C)C1CCOCC1	161116300	OKFJJQLDCGXBKT-LLVKDONJSA-N	308.353	2.004	70	20	DEID	
CCCN(Cc1cnn(C(C)(C)C)c1)[C@@H]1CCS(=O)(=O)C1	161118398	OCIOBHXVCAGZHY-CQSZACIVSA-N	313.467	2.037	70	20	DEID	
COc1cccc(O[C@@H](C)CNC(=O)[C@H]2CCC[C@H](N)C2)c1	161128893	FNHIKNSWEMWILR-IHRRRGAJSA-N	306.406	2.096	70	20	DEID	
C[C@]1(C(=O)NCC2(c3ccccc3)CCOCC2)CCCNC1	161434131	UINVMJUMLVBTOK-SFHVURJKSA-N	316.445	2.241	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)[C@@H](CC)Oc1ccccc1F	160031824	LRWYCBGYQWNVBV-DGCLKSJQSA-N	311.353	2.441	70	20	DEID	
CC[C@@H](C)c1cc(C(=O)N2CCC(c3nncn3C)CC2)on1	160107242	WKDGFMNYWDONOV-LLVKDONJSA-N	317.393	2.336	70	20	DEID	
CNC(=O)Nc1ccnn1Cc1cccc(Br)c1	160204804	SFZBZLITPBQALY-UHFFFAOYSA-N	309.167	2.445	70	20	DEID	
C[C@H]1CCN(C(=O)NCCS(=O)(=O)c2ccccc2)C[C@H]1C	160233210	TZPBWTVIABRISV-UONOGXRCSA-N	324.446	2.148	70	20	DEID	
CCc1c(C(=O)N(C)CC(=O)N(CC)CC)cnn1CC(C)C	160253472	RSKPHSAOIAXNNO-UHFFFAOYSA-N	322.453	2.042	70	20	DEID	
CCCN(CC)CCNC(=O)Nc1ccn(CC(F)(F)F)n1	160449194	VZEIWKLKKVMPSG-UHFFFAOYSA-N	321.347	2.299	70	20	DEID	
Cc1nc(C)c(C(=O)N2CCOC[C@H]2[C@H]2CCCCC2=O)s1	160472298	CAXQNZCZIXOYGD-OLZOCXBDSA-N	322.430	2.360	70	20	DEID	
CCc1nc2c(s1)[C@@H](NCC(=O)NCC(F)(F)F)CCC2	160572906	PRTPBNXYGVLWDA-QMMMGPOBSA-N	321.368	2.351	70	20	DEID	
CC[C@H](NC(=O)CCCCCNC(N)=O)c1c(C)noc1C	160586894	YNIIVKVKMVUHFP-LBPRGKRZSA-N	310.398	2.087	70	20	DEID	
CN[C@H]1CCN(C(=O)c2cccc(-c3noc(C4CC4)n3)c2)C1	160634892	FKRCPAYNZWNMLE-AWEZNQCLSA-N	312.373	2.048	70	20	DEID	
Cn1cnc2cc(C(=O)N[C@@H](CCCO)c3ccccc3)cnc21	160857609	LXYDNSSWWOQJJV-HNNXBMFYSA-N	324.384	2.212	70	20	DEID	
C[C@@H](CC(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccncc1	160895395	NFERHEZKSNPKSY-GXTWGEPZSA-N	303.406	2.091	70	20	DEID	
CCOc1ncccc1C(=O)Nc1ccnn1-c1ccc(C)nn1	159605016	GUVCIPRGBOVLAD-UHFFFAOYSA-N	324.344	2.017	70	20	DEID	
C[C@H](NC(=O)C1CCCCC1)C(=O)N[C@@H]1CCC[C@H]2OCC[C@H]12	159915354	IBEKYNRKCWIIBI-LCGIIJARSA-N	322.449	2.145	70	20	DEID	
CCOCCO[C@H]1CCN(C(=O)N[C@H](C)c2cccc(O)c2)C1	159750434	DRKMHICJOAZHRB-CJNGLKHVSA-N	322.405	2.290	70	20	DEID	
CN(C(=O)NC[C@H]1CCCS1)[C@@H]1CCCc2c1cnn2C	159584173	RVVWTSADSWCLNK-DGCLKSJQSA-N	308.451	2.335	70	20	DEID	
Cc1nccc(NC(=O)N[C@H](C)c2nnc3n2CCC3)c1Cl	159986975	PDHPJBYVSRNXMV-SECBINFHSA-N	320.784	2.464	70	20	DEID	
CCOCCC1(CNC(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)CC1	159998751	PZFPFOUZSMZDRP-KGLIPLIRSA-N	309.454	2.118	70	20	DEID	
CC[C@H]1C[C@H](C(=O)Nc2ccc(S(=O)(=O)F)cc2)CCO1	123006013	CWKUYYRANRLZRI-PWSUYJOCSA-N	315.366	2.489	70	20	DEID	
O=C(Cn1cc(C2CC2)cn1)Nc1ccc(S(=O)(=O)F)cc1	460095696	SGGXKCKVGFDYAA-UHFFFAOYSA-N	323.349	2.057	70	20	DEID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)C1SCCCS1	460097136	VXBYPAINPKNOMC-UHFFFAOYSA-N	321.420	2.480	70	20	DEID	
COCCC(C)(C)NC(=O)c1ccc(S(=O)(=O)F)cc1C	1121069660	YKKRFALPVGARIC-UHFFFAOYSA-N	317.382	2.198	70	20	DEID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N1CCC(F)CC1	1338986796	GWNFDORWOHDLQQ-UHFFFAOYSA-N	303.330	2.227	70	20	DEID	
CC(C)C[C@@H](N)CC(=O)Nc1cccc(S(=O)(=O)F)c1	1575631803	UYWQTOPOVLOACL-SNVBAGLBSA-N	302.371	2.047	70	20	DEID	
Cc1nc2c3ccccc3nc(SCc3nncn3C)n2n1	161015603	ZZSMIQYSEBKNLO-UHFFFAOYSA-N	311.374	2.007	70	20	DEID	
COc1ccccc1N1CC[C@H](NC(=O)/C=C(/C)C2CC2)C1=O	161243439	BJBICUXMJHTRDD-NYHXXUGCSA-N	314.385	2.273	70	20	DEID	
O=C(Oc1ccccc1)N1CCCN(C[C@@H]2CCCO2)CC1	161499536	ASVDZSHXUBLDQG-INIZCTEOSA-N	304.390	2.372	70	20	DEID	
COc1ncccc1CNC(=O)N(CCN(C)C)C1CCCC1	160120741	KGACSAOEUOWWKT-UHFFFAOYSA-N	320.437	2.106	70	20	DEID	
CC[C@H]1CN(C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)CCO1	160200127	RNFCNWWZAHMWDC-GOEBONIOSA-N	320.389	2.497	70	20	DEID	
COCCC(C)(C)CNC(=O)c1cnc(C(F)(F)F)nc1	160533727	OGYBSLRRSZTLKQ-UHFFFAOYSA-N	305.300	2.288	70	20	DEID	
Cc1cc(OCC(=O)N2C[C@@H]3CCC[C@H](C2)N3)ccc1Cl	160733025	GQEVKCBEBSPUOZ-BETUJISGSA-N	308.809	2.380	70	20	DEID	
N[C@@H]1CCC[C@H](NC(=O)C2(c3cccc(F)c3)CCOCC2)C1	160860406	ASCVTBWIPZOORK-CVEARBPZSA-N	320.408	2.260	70	20	DEID	
CCCN(CC1CC1)S(=O)(=O)NCC1(O)CCCCCC1	160982395	BOXIYNOHVBQKGA-UHFFFAOYSA-N	318.483	2.028	70	20	DEID	
COCCCNC(=O)[C@@H](C)N[C@@H](C)c1cccc(F)c1F	159431261	AVUBXNTXDUODMH-WDEREUQCSA-N	300.349	2.157	70	20	DEID	
CCCCNC(=O)[C@@H]1CSCN1C(=O)c1cc(C)c(C)o1	159638619	OHPLKTWJIAEJBA-LBPRGKRZSA-N	310.419	2.328	70	20	DEID	
Cc1cc(N[C@H](C)C(=O)NCc2ccccc2Cl)nn1C	159649884	LVXLBMJZDFONGL-LLVKDONJSA-N	306.797	2.499	70	20	DEID	
CCC(CC)(CC)CNC(=O)N[C@H]1CCc2nc(C)nn2C1	159681346	VAMZVXWXIDJHFR-ZDUSSCGKSA-N	307.442	2.417	70	20	DEID	
Cc1ccc(NC(=O)CCNC(C)C)cc1C(=O)NC(C)C	159498831	MXRWSWWDUYTFRH-UHFFFAOYSA-N	305.422	2.460	70	20	DEID	
COC(=O)[C@@H]1CCCN1C(=O)c1cc(F)cc2cccnc12	159379468	ONHULVNLIPZMMM-ZDUSSCGKSA-N	302.305	2.152	70	20	DEID	
CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NCCc2cccnc2)C1	159563143	GDTSNFSPWOMXTN-HOCLYGCPSA-N	317.433	2.025	70	20	DEID	
O=C(NCc1ccc(Cl)cc1)c1cc(S(=O)(=O)F)c[nH]1	1337666749	FIIABCUOFMOGGL-UHFFFAOYSA-N	316.741	2.256	70	20	DEID	
O=C(Nc1ccc2ccccc2n1)c1cc(S(=O)(=O)F)c[nH]1	1336919653	CBQKUVMBZQMFLN-UHFFFAOYSA-N	319.317	2.473	70	20	DEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC2(CC2)c2ccccc21	1519744916	DXYWTOPESCRJSE-UHFFFAOYSA-N	320.345	2.365	70	20	DEID	
Cc1onc(-c2ccccn2)c1C(=O)N[C@H](CO)CC(C)C	161147301	QXBRADXTFYYUGD-LBPRGKRZSA-N	303.362	2.182	70	20	DEID	
C[C@@]1(C(=O)NCC2(c3ccccc3)CCOCC2)CCCNC1	161434269	UINVMJUMLVBTOK-GOSISDBHSA-N	316.445	2.241	70	20	DEID	
CCN(CC1CCN(c2ccccn2)CC1)[C@@H](C)C(=O)N(C)C	160000519	BNQVOGVXGHZUFE-HNNXBMFYSA-N	318.465	2.097	70	20	DEID	
CN(C[C@H]1CCCO1)C(=O)Nc1ccn(CC(F)(F)F)n1	160495607	PCGYGJIONQFRRW-SECBINFHSA-N	306.288	2.088	70	20	DEID	
COCCCOc1ccc(C(=O)N[C@@H](CO)CC(C)C)cc1	160629985	WMKNYUKUKKPYDM-OAHLLOKOSA-N	309.406	2.239	70	20	DEID	
Cc1ccc(C)c([C@H]2CCCN2C(=O)[C@@H](C)S(C)(=O)=O)c1	160658094	RIXNUVHCWMLMCZ-UKRRQHHQSA-N	309.431	2.400	70	20	DEID	
CCc1nc(CN2CCC(CCCN3CCCC3)CC2)n[nH]1	159467538	QDIWDNAMCBLQQV-UHFFFAOYSA-N	305.470	2.455	70	20	DEID	
CCC[C@H](NC(=O)CN(C)CC(=O)OCC)c1ccccc1	159503402	RDKMSFHQYPQFJF-HNNXBMFYSA-N	306.406	2.139	70	20	DEID	
Cc1ccc(NC(=O)C(=O)NCCNC2CCCCCC2)cc1	159714447	DRZIDGZFVSPIRC-UHFFFAOYSA-N	317.433	2.362	70	20	DEID	
CN1CC[C@@H](Sc2nnc(-c3cccc(Cl)c3)n2C)C1=O	159739974	FPLCGXPFSLECOR-LLVKDONJSA-N	322.821	2.458	70	20	DEID	
CC(=O)N1CC[C@H](NC(=O)Cc2ccc(Cl)c(Cl)c2)C1	159569702	JEMYVPNWGWVWCD-NSHDSACASA-N	315.200	2.273	70	20	DEID	
CC(C)CN(CC(N)=O)C(=O)c1csc(-c2ccccc2)n1	159767193	KVWGNJDNRDMPLV-UHFFFAOYSA-N	317.414	2.394	70	20	DEID	
CCN1CCC(NC(=O)NC[C@H](C)c2c(C)noc2C)CC1	159574417	LUKLALHOHDQINR-NSHDSACASA-N	308.426	2.178	70	20	DEID	
Cc1cnn(-c2ccc(NC(=O)C[C@@H]3CCCN3)cc2F)c1	159778745	RQWVTJOKQXPDMA-LBPRGKRZSA-N	302.353	2.400	70	20	DEID	
CN(Cc1cccc(OCC(F)(F)F)c1)CC(C)(CO)CO	159587079	SGQYCUXARKDRFA-UHFFFAOYSA-N	321.339	2.050	70	20	DEID	
O=C([C@H]1C[C@H]1c1ccccc1OC(F)F)N1CCC(O)CC1	159595094	GINAPUIOJKEQQO-STQMWFEESA-N	311.328	2.375	70	20	DEID	
Cc1ccc(C)n1NC(=O)c1ccc(OS(=O)(=O)F)cc1	1887503857	BLXPWIAAYOAJGL-UHFFFAOYSA-N	312.322	2.082	70	20	DEID	
CC(C)C[C@H](C)NC(=O)Cc1ccc(S(=O)(=O)F)cc1	1338887414	FFEKESWDEHTBEV-NSHDSACASA-N	301.383	2.438	70	20	DEID	
C[C@H](Cc1ccsc1)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1337667537	RQHMJGODYYYKCF-MRVPVSSYSA-N	316.379	2.095	70	20	DEID	
Cc1cc(F)cc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)c1	1336960929	BHGNAOMJLHYDFK-UHFFFAOYSA-N	300.286	2.373	70	20	DEID	
CCC(CC)(CNC(=O)c1cccc(S(=O)(=O)F)c1)OC	1517957790	SDNROTQNIJSNTL-UHFFFAOYSA-N	317.382	2.280	70	20	DEID	
C[C@H](c1ccccc1F)N(C)C(=O)N[C@@H]1CCc2ncnn2C1	161325304	JXRDFPKTRGMEPR-VXGBXAGGSA-N	317.368	2.135	70	20	DEID	
O=C(C[C@@H]1CSCCS1)N1CCC[C@H](c2ccn[nH]2)C1	161508068	NKJRBSXWTWSSGV-NWDGAFQWSA-N	311.476	2.354	70	20	DEID	
CCCCNC(=O)NC(=O)CN1CCC[C@@H]1c1cccc(C)n1	160305639	GNYKYVNDIDNNPJ-OAHLLOKOSA-N	318.421	2.153	70	20	DEID	
C[C@@H]([C@@H](C)N(C)C(=O)C1CCC(C)(C)CC1)S(C)(=O)=O	160375605	BCGUPBPDVVEZFH-NEPJUHHUSA-N	303.468	2.483	70	20	DEID	
CN[C@@H]1CCN(C(=O)/C=C/c2cc(Br)cs2)C1	160500469	BXVAPWYMJJBSAN-VMZHVLLKSA-N	315.236	2.344	70	20	DEID	
C[C@@H]1CN(C(=O)[C@@H](N)C(C)(C)C)C[C@H](c2ccc(F)cc2)O1	160509765	VCEVQHHKAHFECY-KCPJHIHWSA-N	308.397	2.488	70	20	DEID	
NC(=O)c1csc(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)c1	160525341	YRZFXWGPRCBOPE-GFCCVEGCSA-N	322.430	2.459	70	20	DEID	
O=C1CCCC[C@@H]1[C@H]1COCCN1C(=O)c1ccccc1F	160607324	NDQGVHRVMFPQOM-UKRRQHHQSA-N	305.349	2.426	70	20	DEID	
COCc1cc(C(=O)N[C@H](C)CC(=O)c2cccs2)no1	160733615	QYSPNZNOWXIQJL-SECBINFHSA-N	308.359	2.274	70	20	DEID	
Cc1cc(F)c(C(=O)NCCNC(=O)c2ccco2)cc1F	160850320	XJVNLTOYAXWMQF-UHFFFAOYSA-N	308.284	2.026	70	20	DEID	
Cn1cnnc1CN1CCC(OCCc2ccccc2)CC1	160860682	GNRQAGYAFZBIMM-UHFFFAOYSA-N	300.406	2.039	70	20	DEID	
Cn1cnnc1CN(Cc1cccc(F)c1)C[C@@H]1CCCO1	160878555	IURHAUCVQSRLEW-HNNXBMFYSA-N	304.369	2.135	70	20	DEID	
C[C@@H](CCO)CNC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1	160900835	OQWHLVREWFPVAM-IMJJTQAJSA-N	306.406	2.224	70	20	DEID	
COC[C@H](O)CCNC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C	160905549	SHVZQVOSWWVOJB-HUUCEWRRSA-N	323.433	2.399	70	20	DEID	
Cc1ccc(C[C@H](C)NS(=O)(=O)C[C@H]2CCCCO2)s1	159645120	UNIZEDJDXDCKEB-WCQYABFASA-N	317.476	2.476	70	20	DEID	
Cc1nnc(-c2ccccc2C(=O)N(C)[C@@H]2CCCN(C)C2)o1	159916581	TVANDJCAMUZTEY-CYBMUJFWSA-N	314.389	2.211	70	20	DEID	
Cc1nc(-c2ccccc2NC(=O)[C@@H]2CCC(=O)N2)cs1	218587328	NWLAUHAEKSZGGM-LBPRGKRZSA-N	301.371	2.336	70	20	DEID	
O=S(=O)(F)c1ccc(N[C@H](C2CCC2)[C@@H]2CCOC2)nc1	1550638698	FOSPASWPOPLUJB-BXUZGUMPSA-N	314.382	2.357	70	20	DEID	
COc1cc(C(=O)N2CC(O)C2)cc(Cl)c1OCC(C)C	161440333	HNBQLFGXVXZEJI-UHFFFAOYSA-N	313.781	2.200	70	20	DEID	
COc1cccc2c1CC[C@H]2NC(=O)COCC(F)(F)F	160227620	QRKLWDIFWPKGBW-LLVKDONJSA-N	303.280	2.378	70	20	DEID	
CCCNC(=O)CCNC(=O)C[C@H](C)c1ccc(F)cc1F	160243926	DGQBYQOPZJYTKS-NSHDSACASA-N	312.360	2.491	70	20	DEID	
CCC(N)(CC)CNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1	160412071	JMAKAEKTTVBSRX-UHFFFAOYSA-N	304.369	2.463	70	20	DEID	
Cc1cc(CSc2ncccc2C(=O)NC[C@@H](C)CO)no1	160436555	NNDNJVLMXPNOFW-SNVBAGLBSA-N	321.402	2.029	70	20	DEID	
COc1cccc(-c2nc(C(=O)N[C@H]3CCC[C@@H]3O)c(C)[nH]2)c1	160438418	SBHVZUWMWGWPHR-KBPBESRZSA-N	315.373	2.037	70	20	DEID	
COC(=O)CN(C(=O)c1cncc(OC(C)C)c1)C1CCCC1	160571892	RZXTZUJSBCSNDY-UHFFFAOYSA-N	320.389	2.427	70	20	DEID	
C[C@@H](CC(=O)NCC1CCN(CCO)CC1)c1ccccc1	160720124	VTJNFKHJLXDGCJ-HNNXBMFYSA-N	304.434	2.001	70	20	DEID	
CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N(C)C[C@@H]2CCCCO2)C1	160834475	MJUONVZAAFHGSG-XHSDSOJGSA-N	324.465	2.299	70	20	DEID	
COc1ccc(N(C)C(=O)CCn2c(C)csc2=O)cc1F	159407530	HVNDYHVLSFPSKE-UHFFFAOYSA-N	324.377	2.419	70	20	DEID	
CCO[C@@H]1C[C@H](N(C)C(=O)c2cnc3c(c2)ncn3C)C1(C)C	159885131	UVIPVVCWJTWECV-UONOGXRCSA-N	316.405	2.244	70	20	DEID	
CC(C)(C)c1ccccc1OCCNC(=O)[C@@H]1CSCN1	159511633	GXLANLVEHLNEBZ-ZDUSSCGKSA-N	308.447	2.142	70	20	DEID	
CCOc1ccc(OC)cc1NC(=O)NCc1nc(C)no1	159733675	DRRCECJVIKFKDS-UHFFFAOYSA-N	306.322	2.107	70	20	DEID	
C[C@@H]1CCC[C@@H](C(=O)NCCc2nnc3n2CCCCC3)C1	159571823	ZBGBZCOCOQRWLK-ZIAGYGMSSA-N	304.438	2.490	70	20	DEID	
CN1CCC(C(=O)NC[C@@H]2CCCN2c2ccccc2)CC1	217829178	GIADYYULDQUGMM-KRWDZBQOSA-N	301.434	2.113	70	20	DEID	
C[C@@H]1CCC[C@@H]1CNC(=O)Cc1ccc(S(=O)(=O)F)cc1	1121121549	ZOSIUXVSDTUSFQ-DGCLKSJQSA-N	313.394	2.440	70	20	DEID	
CC[C@@H](C)OCC(=O)Nc1cccc(CN2CCN(C)CC2)c1	161039630	GOHUHAYDPVDLJN-OAHLLOKOSA-N	319.449	2.188	70	20	DEID	
CCCCCCC(=O)N[C@@H](C)c1cccc(S(N)(=O)=O)c1	161179551	PLEQDTRIUSDSHN-LBPRGKRZSA-N	312.435	2.482	70	20	DEID	
O=C(COCC1CC1)N1CCN(Cc2ccccc2Cl)CC1	161410713	FBWFKMRZGNQNDU-UHFFFAOYSA-N	322.836	2.411	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)c1cccc(OC(F)F)c1	160033980	BSLUVBWYLGPKEG-VIFPVBQESA-N	301.289	2.360	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)CCc1ccc(OCC)cc1	160048676	FVDWFLCRYBGYPF-ZDUSSCGKSA-N	307.390	2.476	70	20	DEID	
CCOCCC1(CNC(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)CC1	160432998	WDHBGWMFCLRGJE-KFWWJZLASA-N	310.438	2.450	70	20	DEID	
COc1cccc(CNC(=O)N(C)C[C@@H]2CCC[C@@H]2O)c1OC	159670985	ZIODGNWDERCYRZ-KBPBESRZSA-N	322.405	2.006	70	20	DEID	
CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N(C)CCC1CC1	159499102	NGERHABDMUDCQU-UHFFFAOYSA-N	318.421	2.111	70	20	DEID	
Cc1ccccc1CNC(=O)N1CCCN(CC(F)F)CC1	159891571	LUZQQFSGRPJXQS-UHFFFAOYSA-N	311.376	2.477	70	20	DEID	
CCCN(CC)CCNC(=O)N(C)[C@H]1CCCc2c1cnn2C	159379955	GPQAWVIZWRHAAN-HNNXBMFYSA-N	321.469	2.171	70	20	DEID	
O=C(CC1CCOCC1)Nc1cccn(CC(F)(F)F)c1=O	159781517	BSCRJHUDTPGRLO-UHFFFAOYSA-N	318.295	2.166	70	20	DEID	
CN(CC1CCCCC1)C(=O)CSCCN1CCOCC1	159990465	NLQNVLLONWIMPR-UHFFFAOYSA-N	314.495	2.091	70	20	DEID	
COc1cc2c(cc1CNC[C@](C)(O)CSC)O[C@H](C)C2	217847918	ZMXOSJNIQCRNOL-BZNIZROVSA-N	311.447	2.222	70	20	DEID	
C[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@@H]1C[C@H]2CC[C@H]1C2	1354031805	KUGVTABGKWBREZ-WDCWCFNPSA-N	314.382	2.227	70	20	DEID	
CCN1CCN(C[C@@H](C)CNC(=O)[C@@H](C)c2cccs2)CC1	160118082	JQOJHJIMJQQRFK-GJZGRUSLSA-N	323.506	2.241	70	20	DEID	
O=C(C[C@@H]1C(=O)Nc2ccccc21)NCCc1cccc(O)c1	160245033	GTJHKZIEMHHXTC-HNNXBMFYSA-N	310.353	2.177	70	20	DEID	
COC1(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)CCNCC1	160344417	YBHNEGMRWQSYLX-CQSZACIVSA-N	318.417	2.174	70	20	DEID	
Cc1cc(Oc2ccc(NC(=O)CN3CCCC3=O)cc2)n[nH]1	160411382	JWRGCIYKFKRDAI-UHFFFAOYSA-N	314.345	2.071	70	20	DEID	
CC(C)(C)c1nccc(N2CCC[C@@H]2CN2CCOCC2)n1	160401211	WAHKJVSMPAEQNC-CQSZACIVSA-N	304.438	2.075	70	20	DEID	
CC[C@H](O)CCNC(=O)N[C@@H](C)c1cccc(NC(C)=O)c1	160936444	APEPERZPVZTBGL-NHYWBVRUSA-N	307.394	2.166	70	20	DEID	
Cn1cnc(-c2ccc(NC(=O)NOCc3cccnc3)cc2)n1	160969473	DRGRVWVNZYWCMZ-UHFFFAOYSA-N	324.344	2.130	70	20	DEID	
Cc1n[nH]c(C(C)C)c1C(=O)NC1CCN(C(=O)C(C)C)CC1	159800624	CYIXUKFBIVRNQW-UHFFFAOYSA-N	320.437	2.218	70	20	DEID	
CCN1CCCN(C(=O)NCCCc2ccc(OC)cc2)CC1	159726389	DHUJVHFNABWTNQ-UHFFFAOYSA-N	319.449	2.365	70	20	DEID	
CC[C@@H](C(=O)N1CCC(N(C)c2ccccc2)CC1)N(C)C	159957243	CZESAZHPAGGCKU-KRWDZBQOSA-N	303.450	2.454	70	20	DEID	
CC(C)n1nccc1C(=O)Nc1ccccc1SCC(N)=O	159377523	DRAZVRDSOKFCHX-UHFFFAOYSA-N	318.402	2.294	70	20	DEID	
CCS(=O)(=O)c1cccc(CC(=O)N[C@@H](C)CC2CC2)c1	159985626	YYJPFHYTGAUEHJ-LBPRGKRZSA-N	309.431	2.328	70	20	DEID	
CCS(=O)(=O)c1cccc(CC(=O)N[C@H](C)CC2CC2)c1	159985759	YYJPFHYTGAUEHJ-GFCCVEGCSA-N	309.431	2.328	70	20	DEID	
COC(=O)C[C@@H]1CCCCN1c1nnc(C(F)(F)F)s1	160419921	BVJZXVPRXVSVBA-ZETCQYMHSA-N	309.313	2.479	70	20	DEID	
Nc1cccc(Cl)c1C(=O)OCc1nnc2n1CCCC2	217322829	JXUMJAAVQGHJHC-UHFFFAOYSA-N	306.753	2.207	70	20	DEID	
CC(C)OCCCC(=O)Nc1ccc(S(=O)(=O)F)cc1	123059701	LVCHDAUEIRHMKF-UHFFFAOYSA-N	303.355	2.489	70	20	DEID	
O=C(CSc1ccc(F)cc1)N1CCc2ncncc2C1	218052664	DSENSRKUIHOJHS-UHFFFAOYSA-N	303.362	2.293	70	20	DEID	
CO[C@@H](C)CCC(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	857674280	HHURUOIBCIADMV-QMMMGPOBSA-N	307.318	2.238	70	20	DEID	
O=C(Cc1ccc(S(=O)(=O)F)cc1)N1CCC(F)(F)CC1	1355007071	BEDKMIYOVIXOLG-UHFFFAOYSA-N	321.320	2.145	70	20	DEID	
Cc1ccc(CCNC(=O)c2cccc(S(=O)(=O)F)c2)nc1	1354887057	YRIXKYHIOFVWSJ-UHFFFAOYSA-N	322.361	2.021	70	20	DEID	
CCc1ncc(NC(=O)N(C)CCCn2ccnc2C)cn1	161197109	LETYVGHZSPMRMC-UHFFFAOYSA-N	302.382	2.098	70	20	DEID	
CNC[C@H]1CCCN1C(=O)CCN1c2ccccc2CC[C@@H]1C	161263968	SWALFVOFZLZFHD-DOTOQJQBSA-N	315.461	2.428	70	20	DEID	
CCCO[C@H]1CCCN(C(=O)[C@H]2CCn3ccnc3C2)CC1	161510911	OIBZSZVRKWDMJW-GJZGRUSLSA-N	305.422	2.253	70	20	DEID	
CN(c1ccc(S(=O)(=O)C(F)(F)F)cc1)[C@H](CN)C1CC1	160171522	JIMPYXRMPJATQB-GFCCVEGCSA-N	322.352	2.154	70	20	DEID	
O=C(Nc1ccc(O[C@H]2CCOC2)cc1)N1CCC(CO)CC1	160365551	WYAQKFVDKVZQBJ-INIZCTEOSA-N	320.389	2.091	70	20	DEID	
COCc1nc(C)cc(N2CCC[C@H]2CN2CCCCC2)n1	160440953	VHNBXHLYJBILFX-HNNXBMFYSA-N	304.438	2.386	70	20	DEID	
CCOCCOc1ccccc1C(=O)N1C[C@@H]2CCC[C@H](C1)N2	160470229	RGZPPMUBUXKKMP-GASCZTMLSA-N	318.417	2.068	70	20	DEID	
CN[C@H]1CCN(C(=O)c2ccc(OC3CCCC3)c(OC)c2)C1	160616660	SADIDGOIWPWPHF-AWEZNQCLSA-N	318.417	2.451	70	20	DEID	
C[C@@]1(NC(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)CCOC1	160709772	WMRJIANPOUXDMM-HLLBOEOZSA-N	304.390	2.385	70	20	DEID	
CN(Cc1cccn1C)C(=O)COCCOc1ccccc1	160786976	BVJWANRYBXJQRB-UHFFFAOYSA-N	302.374	2.079	70	20	DEID	
CC[C@H](NC(=O)c1cnc2c(c1)ncn2C)c1nccs1	159875355	QNDDEGCBDPZNNZ-JTQLQIEISA-N	301.375	2.306	70	20	DEID	
Cc1cccc2c1CCN2CCN1C(=O)NC2(CCCC2)C1=O	159790425	RJSMWSRJZVPMDB-UHFFFAOYSA-N	313.401	2.222	70	20	DEID	
CO[C@@H](CNC(=O)c1ccc(S(=O)(=O)F)cc1)C(C)(C)C	865208866	ZNYTXNBXQNHLKW-LBPRGKRZSA-N	317.382	2.136	70	20	DEID	
C[C@@H](CNC[C@@H]1CCCN1C(=O)OC(C)(C)C)N(C)C1CC1	217581300	HXXRLPFRYYIECK-ZFWWWQNUSA-N	311.470	2.458	70	20	DEID	
COCCCNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1C	161024752	RIBDKSGKYXNBJN-UHFFFAOYSA-N	318.295	2.105	70	20	DEID	
Cn1cnc(-c2cccc(NC(=O)NC[C@@H]3CCCCO3)c2)n1	161411040	WQOGLDXDDIFCQQ-AWEZNQCLSA-N	315.377	2.173	70	20	DEID	
CN(CC(=O)Nc1cccc(Cl)c1)C(=O)[C@@]1(C)CCCNC1	161440218	XTIZHPITFMEPFL-INIZCTEOSA-N	323.824	2.127	70	20	DEID	
C[C@@H](CSCc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O	161450514	YCNHIXDSNLSOSI-JSGCOSHPSA-N	306.431	2.032	70	20	DEID	
C[C@@H](c1ccncc1)N(C)C(=O)CNC(=O)CC1CCCC1	161491558	OIDACZXDNBHBMD-ZDUSSCGKSA-N	303.406	2.298	70	20	DEID	
COCC(=O)N[C@H](C(=O)N[C@H]1CCCc2sccc21)C(C)C	160036116	ZBQFRNHKSIVFSQ-WFASDCNBSA-N	324.446	2.029	70	20	DEID	
COC(=O)c1ccc(F)c(NC(=O)NC[C@@H](C)SC)c1	160104754	YBKSBTFPEHUKKD-MRVPVSSYSA-N	300.355	2.485	70	20	DEID	
CC(C)NC(=O)c1ccc(C(=O)N[C@H](C)[C@H]2CCCO2)cc1	160275041	UAZJTGDXJVQSPO-IUODEOHRSA-N	304.390	2.122	70	20	DEID	
CN(C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1)[C@@H]1CCOC1	160346483	DLVXBRXRYJLANW-UKRRQHHQSA-N	306.362	2.107	70	20	DEID	
COC[C@@H](NCc1ccccc1CN1CCOCC1)C1CC1	160506952	VQVOQWSKIGGAOT-GOSISDBHSA-N	304.434	2.033	70	20	DEID	
O=C1CC[C@@H]2CN(C(=O)Cc3ccccc3Cl)CC[C@@H]2N1	160638439	ORZGRTFOQQWXDG-OCCSQVGLSA-N	306.793	2.010	70	20	DEID	
C[C@@H]1CCC[C@H](C(=O)N2CCC(CN3CCOCC3)CC2)C1	160735658	RPNFVJLDNJPEGA-WBVHZDCISA-N	308.466	2.384	70	20	DEID	
CCc1ccc([C@@H](CNC(=O)NCC[C@@H](O)CC)N(C)C)cc1	160745195	ZXWJBPSPPOWXJJ-DLBZAZTESA-N	321.465	2.312	70	20	DEID	
CCCS(=O)(=O)Nc1cccc(N[C@@H](C)C(=O)OCC)c1	160968854	XRVKVUZJPRTRDR-NSHDSACASA-N	314.407	2.202	70	20	DEID	
Cc1nnc(CSc2nnc(COc3ccccc3)n2C)o1	159411243	CYNGNKAZILQDNL-UHFFFAOYSA-N	317.374	2.378	70	20	DEID	
CN1CCC[C@H](CNC(=O)N2CCc3cccc(F)c3C2)C1	159787506	JLPRHJZGZXWTBV-CYBMUJFWSA-N	305.397	2.235	70	20	DEID	
C[C@H](CN1CCOCC1)NC(=O)NCC1CCC(C)(C)CC1	159794731	LLKVNARODMDFCW-CQSZACIVSA-N	311.470	2.223	70	20	DEID	
CCSCC[C@@H](C)NS(=O)(=O)c1cc(N)ccc1C	159864155	LBBHNLKSHSBSTE-LLVKDONJSA-N	302.465	2.387	70	20	DEID	
O=C(Nc1cnc2ccccn12)c1ccc(S(=O)(=O)F)cc1	864243671	RQLAYLLPZLQFBC-UHFFFAOYSA-N	319.317	2.245	70	20	DEID	
CC1(C)CCCC[C@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1120944095	GJMGOLNRPJYUFM-LLVKDONJSA-N	302.371	2.372	70	20	DEID	
CC(=O)c1ccccc1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1262673451	NWGMUWIKQSUJSU-UHFFFAOYSA-N	310.306	2.128	70	20	DEID	
CC1(C)C[C@@H](C(=O)Nc2ccc(S(=O)(=O)F)cc2)CCO1	1340608568	RBFUGFTYDQZSAO-JTQLQIEISA-N	315.366	2.489	70	20	DEID	
CCC[C@@](C)(CO)NC(=O)Nc1ccc(-c2ncn(C)n2)cc1	161076101	KRWZPAPSFZKXOT-INIZCTEOSA-N	317.393	2.155	70	20	DEID	
CC1(O)CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1	161185792	LHNKKBNFWLAZQU-UHFFFAOYSA-N	323.336	2.331	70	20	DEID	
CCCN(CCO)Cc1cnc2ccc(Br)cn12	161197727	CQHTWRABOOOKRO-UHFFFAOYSA-N	312.211	2.301	70	20	DEID	
CCC(CC)(CN)C(=O)NC[C@@H](C[C@@H](C)O)c1ccccc1	161259723	QRYJXPNEIIMONM-GDBMZVCRSA-N	306.450	2.422	70	20	DEID	
CC(C)OCCC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C	161410573	RHZYNPHPHSIZKT-ZDUSSCGKSA-N	314.426	2.269	70	20	DEID	
CC[C@@H](C)c1ccc(S(=O)(=O)N[C@H]2CCC(=O)N(C)C2)cc1	160085930	ACMGYYPHVNJDLY-OCCSQVGLSA-N	324.446	2.099	70	20	DEID	
CC(C)(N)CNC(=O)C1(c2ccc(Cl)cc2)CCOCC1	160092910	ZXTRBWOHUJEULM-UHFFFAOYSA-N	310.825	2.242	70	20	DEID	
CC[C@H](NC(=O)CCOC[C@@H]1CCCO1)c1c(C)noc1C	160126393	XUNIAYYXAPAINV-KBPBESRZSA-N	310.394	2.444	70	20	DEID	
CC(C)(C)CN(CCCO)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1	160324670	BERAUQINHFTJJZ-CABCVRRESA-N	312.454	2.384	70	20	DEID	
CC(C)CN(CCN(C)C)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1	160360095	FCURBNXEDGUSII-CVEARBPZSA-N	311.470	2.173	70	20	DEID	
COc1ccc(-c2cc(C(=O)N[C@@H](C)[C@H]3CCOC3)[nH]n2)cc1	160380198	QKRXHCBJJMETKJ-AAEUAGOBSA-N	315.373	2.240	70	20	DEID	
COC(=O)Cn1cc(NC(=O)c2cccc(C)c2Cl)cn1	160405988	ROIUJYVJSZXISO-UHFFFAOYSA-N	307.737	2.270	70	20	DEID	
O=C(N[C@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cccc(-c2ncn[nH]2)c1	160611387	NXWGSWAZCFIIHA-KKUMJFAQSA-N	324.384	2.159	70	20	DEID	
COc1ccc(C(=O)N(C)Cc2cccn2C)c(OC)c1OC	160923317	KORBYUDWUKJKEN-UHFFFAOYSA-N	318.373	2.323	70	20	DEID	
CC(C)NC(=O)CN[C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2	160925583	DPTFRVGKZCNDGW-LLVKDONJSA-N	303.406	2.092	70	20	DEID	
CCC[C@@H]1C(=O)NCCN1C(=O)Nc1ccc(OC)cc1C	160991038	YQNZIQFKHNFUCO-CQSZACIVSA-N	305.378	2.136	70	20	DEID	
O=C(NCCc1cc2ccccc2[nH]1)c1ccc2nncn2c1	159656779	TVIBILBNWRQQLJ-UHFFFAOYSA-N	305.341	2.183	70	20	DEID	
Cc1noc(C)c1C[C@@H](C)NS(=O)(=O)CCc1ccccc1	159868799	OPSRSLBJZXLEIX-GFCCVEGCSA-N	322.430	2.385	70	20	DEID	
CC(C)C1CCC(NC(=O)NCC2(CO)CCOCC2)CC1	159718886	PIBGREDWLNKBEO-UHFFFAOYSA-N	312.454	2.290	70	20	DEID	
CCCCn1ncc(NC(=O)NCCC(=O)N[C@H](C)CC)c1C	159732094	UNMUQRDHWCKEPL-GFCCVEGCSA-N	323.441	2.418	70	20	DEID	
O=C(CSc1nncs1)NCCc1cc2ccccc2[nH]1	159543863	FYZWAKKKGAVBSC-UHFFFAOYSA-N	318.427	2.470	70	20	DEID	
CC(C)Oc1cc(CNC(=O)NCCn2cccc2)ccn1	159940352	JHBKVLLKQIFLCL-UHFFFAOYSA-N	302.378	2.170	70	20	DEID	
CC(C)OC1CCC(NS(=O)(=O)CC[C@@H]2CCCO2)CC1	159376566	ZOFHLLNVKYKKQC-SLTAFYQDSA-N	319.467	2.211	70	20	DEID	
Cc1cnn(-c2ccc(NC(=O)[C@@H]3CC[C@H](N)C3)cc2F)c1	159775276	XGLWOMPCMWVARB-NEPJUHHUSA-N	302.353	2.386	70	20	DEID	
Cc1cccc(C(=O)N2Cc3ccccc3C[C@H]2C(N)=O)c1F	159998834	AGZILDDRZNEAFZ-HNNXBMFYSA-N	312.344	2.187	70	20	DEID	
O=C(Nc1nc2ccccc2[nH]1)c1ccc(S(=O)(=O)F)cc1	864238791	UDUALTWGPNQVJZ-UHFFFAOYSA-N	319.317	2.473	70	20	DEID	
CC(C)(C)OC(=O)N1CCN(CCCNC2CCCC2)CC1	218324072	MKUOFEKOMSUCGM-UHFFFAOYSA-N	311.470	2.461	70	20	DEID	
COC(=O)c1csc(NC(=O)N(C)C[C@H]2CCCOC2)c1	161011483	PRZOWEAEJPAZIO-SNVBAGLBSA-N	312.391	2.425	70	20	DEID	
CCCOc1ccc(O[C@@H]2CCCC[C@@H]2NC(=O)CN)cc1	161031716	INTMBSAGGQUKPK-JKSUJKDBSA-N	306.406	2.240	70	20	DEID	
COc1ccc(CNC(=O)N2CCO[C@@H](C)[C@@H]2C)c(OC)c1	161375500	JQMDQBBPXRBGEW-RYUDHWBXSA-N	308.378	2.023	70	20	DEID	
CC(C)(C)CC(=O)Nc1ccc(CC(=O)NCC(C)(C)N)cc1	160099095	AWQKFMZBLYKEPR-UHFFFAOYSA-N	319.449	2.457	70	20	DEID	
CC(C)OC(=O)CCCNC(=O)N1CCC[C@H](c2ncc[nH]2)C1	160228170	DZWDYEZJVHMYGI-ZDUSSCGKSA-N	322.409	2.031	70	20	DEID	
C[C@@H]1C(=O)NCCN1CCOc1cc(Cl)cc(Cl)c1	160355998	ITIOSPLXPRJNEO-SECBINFHSA-N	303.189	2.193	70	20	DEID	
C[C@@]1(NC(=O)Nc2cccc(NC(=O)C3CC3)c2)CCOC1	160418393	CSUGKARTGZIWOV-MRXNPFEDSA-N	303.362	2.336	70	20	DEID	
O=C1CC[C@@H]2CN(C(=O)Nc3ccc(Cl)cc3)CC[C@@H]2N1	160699858	QRVGUEQWAFDVGR-MFKMUULPSA-N	307.781	2.472	70	20	DEID	
COC(=O)c1csc(NC(=O)N[C@H]2CC[C@H](CO)CC2)c1	160707154	JWUFFCZFBNKXOL-JGZJWPJOSA-N	312.391	2.207	70	20	DEID	
CN(C(=O)Nc1ccc(-n2cccn2)nc1)[C@H]1CCSC1	160934328	SEZFRDUFHARPFL-LBPRGKRZSA-N	303.391	2.237	70	20	DEID	
COC[C@H](NC(=O)Nc1ccc(-c2ncn(C)n2)cc1)C1CC1	160958807	QDGCMEXXXMMCPR-AWEZNQCLSA-N	315.377	2.029	70	20	DEID	
C[C@H](c1ccncc1)N(C)C(=O)c1csc(S(C)(=O)=O)c1	159808227	OWXMMVQZMYRECS-SNVBAGLBSA-N	324.427	2.380	70	20	DEID	
COC(=O)CC1(CS(=O)(=O)N2CC[C@H](C)C[C@@H](C)C2)CC1	159667586	XNWZNVQKKIHFLI-QWHCGFSZSA-N	317.451	2.028	70	20	DEID	
NC(=O)Nc1cccc(C(=O)NC[C@@H]2[C@@H]3Cc4ccccc4[C@@H]23)c1	159871817	JDGXPCZLANYSJD-GVDBMIGSSA-N	321.380	2.493	70	20	DEID	
CCc1ccc(/C=C/C(=O)N[C@H](C)C(=O)NCc2ccco2)o1	159488282	RWDSGXHCLVVZPO-IDVQTMNDSA-N	316.357	2.269	70	20	DEID	
COC(=O)c1ccc(CSCCN2CCOCC2)c(F)c1	159932211	FEOGVNRWTUZUNZ-UHFFFAOYSA-N	313.394	2.178	70	20	DEID	
Cc1conc1NC(=O)C(=O)N[C@H](C)CCc1ccccc1	159938815	NMZLGWCOTMSPPE-GFCCVEGCSA-N	301.346	2.059	70	20	DEID	
CCC[C@H]1CN(C(=O)NCc2cccnc2OCC)CCO1	159541689	ZAHOEQRPFAFIEY-AWEZNQCLSA-N	307.394	2.191	70	20	DEID	
Cc1nnsc1C(=O)NC[C@@H]1CCCN1c1ccccc1	217808256	YVUJVDQMPQLIDH-ZDUSSCGKSA-N	302.403	2.245	70	20	DEID	
O=C(Cc1ccc(S(=O)(=O)F)cc1)N1C[C@H]2CCCC[C@H]21	1337627875	LXPZBUQMDINKMO-TZMCWYRMSA-N	311.378	2.288	70	20	DEID	
CC[C@H](C)[C@@H](C)NC(=O)Cc1ccc(S(=O)(=O)F)cc1	1262734709	GCSKAEDHZJVTRK-WDEREUQCSA-N	301.383	2.438	70	20	DEID	
CC(C)n1nccc1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1	161077148	MPIRNCNOQSFSDZ-GFCCVEGCSA-N	322.409	2.203	70	20	DEID	
Cc1cccc(NC(=O)CN2CCN(c3ccncc3)CC2)c1C	161291265	ONNTZSJZRIADMS-UHFFFAOYSA-N	324.428	2.459	70	20	DEID	
CC(C)c1ncc(C(=O)N2CCC[C@@H](CCC(N)=O)C2)s1	161463447	QHHDJDRTVGQZAB-NSHDSACASA-N	309.435	2.384	70	20	DEID	
COC[C@@H](O)CCNC(=O)/C=C/c1ccc(CC(C)C)cc1	161488039	YHWCXBIMVFHBEY-IJDCCNJMSA-N	305.418	2.412	70	20	DEID	
CN(CC(=O)Nc1cccc2c1N=S=N2)[C@@H](CN)C1CC1	160119258	GFZPXJRBNSJABO-LBPRGKRZSA-N	305.407	2.021	70	20	DEID	
CC[C@H](C)NC[C@H](c1ccc(OC)c(OC)c1)N1CCOCC1	160352767	NCAACFOCJIXKLD-GOEBONIOSA-N	322.449	2.465	70	20	DEID	
CN[C@@H]1CCN(C(=O)c2cc(Cl)ccc2OC(F)F)C1	160541104	NDBLQNNICLSAEI-SECBINFHSA-N	304.724	2.375	70	20	DEID	
CCC(N)(CC)CNC(=O)c1nnn(-c2ccc(C)cc2)c1C	160554994	PKOOCIJOBNIGBT-UHFFFAOYSA-N	315.421	2.131	70	20	DEID	
C[C@H](CO)N(C)C(=O)CCc1cc(Br)cs1	160587404	JKNJVZICAUQWPA-MRVPVSSYSA-N	306.225	2.282	70	20	DEID	
CCNC(=O)CN(CC)C(=O)c1cnn(C(CC)CC)c1C	160611083	RRMMLKCGFAEZMP-UHFFFAOYSA-N	308.426	2.151	70	20	DEID	
CC(C)n1nccc1C(=O)Nc1ccc(N2CCNC2=O)cc1	160912942	UVBZPTIRRVODNC-UHFFFAOYSA-N	313.361	2.246	70	20	DEID	
CC[C@H](Oc1ccccc1Cl)C(=O)NCC[C@H](O)COC	160972011	KXICOFMZBQFEHT-AAEUAGOBSA-N	315.797	2.011	70	20	DEID	
CCn1c(S[C@@H](C)C(=O)OC)nc2ccc(F)cc2c1=O	159425012	SSTHSUUJNHYLEP-QMMMGPOBSA-N	310.350	2.209	70	20	DEID	
COc1ccc(S(=O)(=O)N[C@H](C)Cc2c(C)noc2C)cc1	159891967	KOXMCVMBKPSVKK-SNVBAGLBSA-N	324.402	2.210	70	20	DEID	
CN(C(=O)C1(Cc2ccccc2)CCC1)[C@@H]1CCS(=O)(=O)C1	159895154	RUQJKECMEJEJJF-OAHLLOKOSA-N	321.442	2.045	70	20	DEID	
C[C@H]1CN(Cc2noc(C3CCCCC3)n2)CCN1C[C@@H](C)O	159910035	OFJIYNOLNYMWEB-UONOGXRCSA-N	322.453	2.004	70	20	DEID	
N#CCCCCNC(=O)c1cc(S(=O)(=O)F)ccc1Cl	1121081253	GAURNQIVJRZRQU-UHFFFAOYSA-N	318.757	2.422	70	20	DEID	
CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)c1ccccc1F	1338250990	PYPINXBOYRGPCP-UHFFFAOYSA-N	300.286	2.089	70	20	DEID	
CC(C)n1cc(NC(=O)c2cccc(S(=O)(=O)F)c2)cn1	1262788302	YGXDHGOZCRNJAO-UHFFFAOYSA-N	311.338	2.375	70	20	DEID	
Cc1ccc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)c2[nH]ncc12	1347458273	TVEQSZKYSSQYAL-UHFFFAOYSA-N	322.321	2.110	70	20	DEID	
O=C(NCC1CCCCCC1)c1cc(S(=O)(=O)F)c[nH]1	1517955918	JZUJXHHAQBPZPY-UHFFFAOYSA-N	302.371	2.373	70	20	DEID	
CN(CC1CC1)C(=O)c1cc(S(=O)(=O)F)ccc1Cl	1516273942	BDIRGFLSTNSIQQ-UHFFFAOYSA-N	305.758	2.480	70	20	DEID	
CNC[C@@H]1CCCN1C(=O)c1cccc(Nc2cnccn2)c1	161179624	MDOMHOUCJMOEIU-HNNXBMFYSA-N	311.389	2.044	70	20	DEID	
Cc1ccc([C@@H](CNC(=O)N2CCC[C@](C)(O)C2)N(C)C)cc1	161209676	UFZQLECTXLYODU-AEFFLSMTSA-N	319.449	2.154	70	20	DEID	
C[C@]1(O)CCCN(C(=O)NCCc2c[nH]c3cc(F)ccc23)C1	161349488	ZUZREYKHPPBLHI-KRWDZBQOSA-N	319.380	2.406	70	20	DEID	
CC(C)[C@@H](C(=O)N(C)c1ccc2c(c1)OCO2)N1CCCC1=O	160105150	PWUWJWBEPLFFTR-INIZCTEOSA-N	318.373	2.025	70	20	DEID	
Cn1c(COc2ccccc2)nnc1SCCn1ccnc1	160192536	SNEVFYIFIZYETP-UHFFFAOYSA-N	315.402	2.383	70	20	DEID	
CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)N[C@@H](C)CCO	160399751	HUPHYJAIELEOAB-MJVIPROJSA-N	314.813	2.486	70	20	DEID	
Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[C@@H]1COC(=O)C1	160439735	VNOYUKLOFJOAQZ-ZDUSSCGKSA-N	313.357	2.381	70	20	DEID	
C[C@@H](NC(=O)Nc1ccc(OCC(=O)N(C)C)cc1)C1CCC1	160475635	CPDOCOAGNIIXBZ-GFCCVEGCSA-N	319.405	2.464	70	20	DEID	
CCc1ccc(CNC(=O)Cn2cnc(C(C)C)cc2=O)s1	160787261	GNKFMNKIXIBWGH-UHFFFAOYSA-N	319.430	2.307	70	20	DEID	
O=C(CCOC1CCOCC1)N1CCc2c(F)cccc2C1	160888612	KAOQAFDAHHSMEA-UHFFFAOYSA-N	307.365	2.296	70	20	DEID	
CC(C)c1cc(=O)n(CC(=O)N[C@H]2CCC[C@H](C)[C@H]2C)cn1	160901202	JRVINFYLECBLCI-MJBXVCDLSA-N	305.422	2.308	70	20	DEID	
Cc1cc(Cl)ccc1C(=O)N1CC[C@H](CN2CCOCC2)C1	160950256	OHQOUECRBAKWLB-CQSZACIVSA-N	322.836	2.443	70	20	DEID	
CC(C)(CO)[C@H](CNC(=O)NC[C@@H]1CCCO1)c1ccccc1	160969415	XYMXLQCIPWWLEV-JKSUJKDBSA-N	320.433	2.267	70	20	DEID	
CCCN(C)C[C@H]1CCN(c2ccc(S(C)(=O)=O)cc2)C1	159412731	OEPRUDIPNBNHRR-CQSZACIVSA-N	310.463	2.258	70	20	DEID	
CCn1c(S[C@@H](C(N)=O)C(C)C)nc2ccc(F)cc2c1=O	159810863	CKARRAJUJXVRRE-GFCCVEGCSA-N	323.393	2.158	70	20	DEID	
COc1ccc(Cl)c(S(=O)(=O)N(C)[C@@H]2CCSC2)c1	159423310	KHEUNTSOKGCJDY-SECBINFHSA-N	321.851	2.475	70	20	DEID	
COC(=O)N1CCC(NC(=O)/C=C/c2ccc(Cl)nc2)CC1	159840441	MSBSLECYVGAUNC-HWKANZROSA-N	323.780	2.095	70	20	DEID	
COc1cc(F)c([C@@H](C)NC(=O)[C@@H]2CCCNC2)cc1OC	159964302	RGKVKCKZIWRSCA-GHMZBOCLSA-N	310.369	2.020	70	20	DEID	
Cc1noc(C)c1CC(=O)Nc1ccc(S(=O)(=O)F)cc1	123110406	CMUSWWALCBJMMT-UHFFFAOYSA-N	312.322	2.131	70	20	DEID	
CC(C)NC(=O)C[C@H]1CSCCN1C(=O)OC(C)(C)C	160960140	OWTPGRYPAKFXLG-NSHDSACASA-N	302.440	2.254	70	20	DEID	
CC(C)CC1(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1338389562	JMXASLVZTBQXOR-UHFFFAOYSA-N	302.371	2.229	70	20	DEID	
C[C@H]1[C@@H](C)NCCN1C(=O)Cc1ccccc1Br	217268418	VVJRVDBMKYFFQG-MNOVXSKESA-N	311.223	2.200	70	20	DEID	
COC[C@H](O)CCNC(=O)c1cc(C)c(OC(F)F)c(C)c1	161101860	ZUSXMQFJOFBLGX-GFCCVEGCSA-N	317.332	2.032	70	20	DEID	
O=S(=O)(Nc1cccc(OCCF)c1)N1CCCCC1	161207609	ISIKJVPGWAMQHV-UHFFFAOYSA-N	302.371	2.178	70	20	DEID	
CC(C)(C)CN(CCCO)S(=O)(=O)c1ccc(F)c(F)c1	161354207	DYOBCIVOLBTGLV-UHFFFAOYSA-N	321.389	2.384	70	20	DEID	
CCc1ccc([C@H](C)CC(=O)N[C@H]2CCN(C(N)=O)C2)cc1	160018364	AFOGCGZQPLIMET-DOMZBBRYSA-N	303.406	2.012	70	20	DEID	
Cn1c(=O)oc2c(C(=O)Nc3ccc4nccnc4c3)cccc21	160183653	FASMUVHPLNOZHU-UHFFFAOYSA-N	320.308	2.327	70	20	DEID	
CN(C)[C@H](CNC(=O)N1CCC[C@](C)(O)C1)C1CCCCC1	160299688	UOCHOZCHTBVEJV-WBVHZDCISA-N	311.470	2.053	70	20	DEID	
CC(C)Cn1cc(NC(=O)C(=O)Nc2ccc(F)c(F)c2)cn1	160398263	STPUAKBIMJHRPJ-UHFFFAOYSA-N	322.315	2.395	70	20	DEID	
CCCN(CCC)C(=O)NCc1c(CC)c(CC)n[nH]c1=O	160429067	MZRYOSVJFXGRGO-UHFFFAOYSA-N	308.426	2.226	70	20	DEID	
C[C@H]1Oc2ccc(NC(=O)[C@H](C)C3CCOCC3)cc2NC1=O	160540130	YEWYTUQTSUQPNL-GHMZBOCLSA-N	318.373	2.407	70	20	DEID	
COc1cc(F)ccc1NC(=O)NCCCNC(=O)C(C)C	160543214	VCRKWKPNOOZNFU-UHFFFAOYSA-N	311.357	2.118	70	20	DEID	
Cc1ccc(N2CCN(C(=O)NC[C@H]3CCOC3)CC2)cc1C	160561168	CJVLLCXBGLEUQE-MRXNPFEDSA-N	317.433	2.172	70	20	DEID	
CC[C@H](NC(=O)CCSCC(=O)OC)c1c(C)noc1C	160762489	YUMMPSHZBWYWHA-NSHDSACASA-N	314.407	2.155	70	20	DEID	
CCCCN(C)c1ccc(C(=O)NCC[C@H](O)COC)cc1	160851297	HAPPKUPRWZVGEL-INIZCTEOSA-N	308.422	2.050	70	20	DEID	
Cc1cc(Oc2ccc(NC(=O)Cc3cnn(C)c3)cc2)n[nH]1	159489039	XNCYGJHVJSEDDM-UHFFFAOYSA-N	311.345	2.425	70	20	DEID	
Cc1ccc(C(=O)CCN2CCN(c3cnn(C)c3)CC2)cc1	159938283	WDPXANDQKOWDGI-UHFFFAOYSA-N	312.417	2.124	70	20	DEID	
Cc1cc(F)cc(C)c1S(=O)(=O)NC[C@@H](C)N(C)C1CC1	217894654	NWMWREOSIYVXES-GFCCVEGCSA-N	314.426	2.204	70	20	DEID	
O=S(=O)(F)c1ccc(N[C@@H](C2CC2)[C@@H]2CCCOC2)nc1	1551194031	JDWRGSNRHFBALG-RISCZKNCSA-N	314.382	2.357	70	20	DEID	
CC(C)CCn1ccc(NC(=O)NCCCn2cccn2)n1	161032352	WCERRKOPATYZAG-UHFFFAOYSA-N	304.398	2.338	70	20	DEID	
CCC(=CC(=O)N1CCN(C(=O)c2ccccc2O)CC1)CC	161088867	WCTJSJHIUMCOQH-UHFFFAOYSA-N	316.401	2.423	70	20	DEID	
CCCN(Cc1cnc2c(C)cccn12)[C@H]1CCS(=O)(=O)C1	161100547	UUGLQRRYURAKAZ-AWEZNQCLSA-N	321.446	2.042	70	20	DEID	
C[C@H](O)CN(C)C(=O)Cc1ccc(OCc2ccccn2)cc1	160094232	TVPFKASYZIUDKH-AWEZNQCLSA-N	314.385	2.042	70	20	DEID	
Cc1ccc(C(=O)CCN2CCO[C@H]([C@@H]3CCCO3)C2)cc1	160128101	CBDXCGXNZGZPAK-ROUUACIJSA-N	303.402	2.448	70	20	DEID	
O=C(NC[C@@H]1CCOC1)Nc1ccc(O[C@@H]2CCOC2)cc1	160143460	NTXNGQALPYBBJT-SWLSCSKDSA-N	306.362	2.012	70	20	DEID	
CNC(=O)c1ccc(NC(=O)CCc2cnn(C)c2)c(Cl)c1	160361482	VWOBIUXRGFIYRD-UHFFFAOYSA-N	320.780	2.004	70	20	DEID	
O=C(N[C@H]1CCO[C@@H](C2CC2)C1)N1CCN(C2CCCC2)CC1	160406378	AUBUMCAFSLFRFA-DOTOQJQBSA-N	321.465	2.214	70	20	DEID	
O=C(NCCOC1CCCC1)c1ccc(C(=O)NC2CC2)cc1	160460459	GGGJWVYPOBARCE-UHFFFAOYSA-N	316.401	2.268	70	20	DEID	
COc1cc(/C=C/C(=O)N(C)[C@H](C)CO)cc(Cl)c1OC	160514356	KRPAATOHKNZTQH-BRAIEQGRSA-N	313.781	2.210	70	20	DEID	
O=C1CCCC[C@H]1[C@H]1COCCN1C(=O)c1ccccc1F	160607106	NDQGVHRVMFPQOM-DZGCQCFKSA-N	305.349	2.426	70	20	DEID	
COc1ccccc1[C@H](NC(=O)NCC(C)(C)O)c1ccco1	160623121	SWNVWLCJXWBSHD-HNNXBMFYSA-N	318.373	2.448	70	20	DEID	
CCc1cc(O)nc(CN(CC)Cc2ccc3c(c2)OCO3)n1	160640678	WTLHELLWNBARNU-UHFFFAOYSA-N	315.373	2.495	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)[C@@H](C)Oc1ccc(F)c(F)c1	160756136	LZIUFCAZLNINJI-VHSXEESVSA-N	315.316	2.190	70	20	DEID	
C[C@@]1(O)CCCN(C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)C1	160827541	RXTPZAMVHGSLLR-SOLBZPMBSA-N	318.417	2.463	70	20	DEID	
CC[C@@H]1CCCC[C@@H]1NC(=O)N(C)Cc1nc(CCOC)no1	160958475	SXPYKDIVSGHSKO-OLZOCXBDSA-N	324.425	2.369	70	20	DEID	
COCCN(Cc1ccco1)C(=O)NCCc1cscn1	159418309	TUYLLDVGXDLEPE-UHFFFAOYSA-N	309.391	2.137	70	20	DEID	
C[C@@H]1C[C@@H](NC(=O)N2CCSCC2)CN1Cc1ccccc1	159845860	XRYTVXDQYGRAOD-GDBMZVCRSA-N	319.474	2.408	70	20	DEID	
COC(=O)c1ccc(OCCCCS(=O)(=O)Cl)cc1	100495543	BUDZYCMCHYWRMY-UHFFFAOYSA-N	306.767	2.201	70	20	DEID	
C[C@H](CO)NC(=O)Nc1cc(CC2CC2)nn1-c1ccccc1	161043283	CMIUPIYWLAGPPR-GFCCVEGCSA-N	314.389	2.327	70	20	DEID	
O=C(N[C@@H]1CCC[C@H]1O)C1(c2ccc(Cl)cc2)CCOCC1	161242277	ZGMJQGZBWPUDFM-HUUCEWRRSA-N	323.820	2.418	70	20	DEID	
CN(CCc1ccccn1)C(=O)CCNC(=O)C1CCCCC1	161371498	ALIIHTLRLNQLMK-UHFFFAOYSA-N	317.433	2.169	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)[C@H]1CCCN1Cc1ccccc1	160101783	QDGXVLNOCSBKOB-GDBMZVCRSA-N	318.417	2.109	70	20	DEID	
CC[C@H](COC)NS(=O)(=O)c1cccc2cc(C)cnc12	160329001	TWGYMBWFEPCGKK-CYBMUJFWSA-N	308.403	2.247	70	20	DEID	
Cc1cccc([C@@H]2CCCN2CC(=O)Nc2cc(C)on2)n1	160445414	GSWNXFBIPQUSDS-AWEZNQCLSA-N	300.362	2.462	70	20	DEID	
CCOc1ccccc1CCNC(=O)N(C)C[C@H]1CCC[C@@H]1O	160624497	QLPSBMIEPDBYJL-CVEARBPZSA-N	320.433	2.430	70	20	DEID	
CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCC[C@@H]2CC)c1	159646156	NWGAKJIXPYZHFB-SWLSCSKDSA-N	324.446	2.293	70	20	DEID	
COC[C@@H](O)CCNC(=O)Nc1cccc(-c2nccs2)c1	159852731	SIQUSQVITBBNIJ-ZDUSSCGKSA-N	321.402	2.329	70	20	DEID	
Cc1ccc(C)c(CN2CCC(N3CCC[C@@H]3C(N)=O)CC2)c1	159379909	WXVUJSZHDQEEDR-GOSISDBHSA-N	315.461	2.218	70	20	DEID	
COc1ccc(SCC(=O)NC[C@@](C)(O)CSC)cc1	217628475	KZPGDOGTUXGCCY-CQSZACIVSA-N	315.460	2.018	70	20	DEID	
CSc1ccc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)cn1	1336949155	JXNJEIAIDFDLKP-UHFFFAOYSA-N	315.351	2.042	70	20	DEID	
C[C@@H]1CN(C(=O)CCc2ccc(S(=O)(=O)F)cc2)C[C@H]1C	1337255075	MSUBBAFONUWSBO-VXGBXAGGSA-N	313.394	2.392	70	20	DEID	
Cc1cc(F)ccc1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1348384265	FWLJJFQBAGALPD-UHFFFAOYSA-N	300.286	2.373	70	20	DEID	
CCN(CC)[C@@H](CNC(=O)N1CCC[C@](C)(O)C1)c1ccco1	161212419	IDVCZXLZYALJEI-YOEHRIQHSA-N	323.437	2.219	70	20	DEID	
CC[C@H]1CCCC[C@@H]1N(C)C(=O)CCSc1nnnn1C	161215423	FQZMIMIYILUSOB-RYUDHWBXSA-N	311.455	2.120	70	20	DEID	
CN(Cc1cc2ccccc2o1)C(=O)CNC[C@H]1CCCO1	161414678	SGLBUCWDAVVNJT-CQSZACIVSA-N	302.374	2.160	70	20	DEID	
CCC(=O)N1CC[C@@H](C(=O)N[C@H](CC)c2c(C)noc2C)C1	160099861	LWONCTXPNNZFTQ-CHWSQXEVSA-N	307.394	2.117	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)c1cccnc1OCC(C)C	160383062	BWBZAQNTFPBMMG-LBPRGKRZSA-N	308.378	2.188	70	20	DEID	
CC(C)c1cc(C(=O)N2CCOC[C@H]2[C@@H]2CCCCC2=O)n[nH]1	160476156	NLUATJGQLVBYRT-WFASDCNBSA-N	319.405	2.133	70	20	DEID	
CC[C@H](NC(=O)CCNC(=O)c1ccco1)c1c(C)noc1C	160579948	OFMIHKRFFQFGCI-LBPRGKRZSA-N	319.361	2.272	70	20	DEID	
CCOC(=O)NCCCC(=O)NCc1ccc(C)c(OC)c1	160682084	FPHNKYSQKWPQOS-UHFFFAOYSA-N	308.378	2.146	70	20	DEID	
CN[C@H]1CCN(C(=O)[C@H](C)Oc2ccc(F)cc2Cl)C1	160813439	QBICGCMEIXBWAU-ONGXEEELSA-N	300.761	2.067	70	20	DEID	
Cn1ccc(CNC(=O)Nc2ccc(-c3ncn(C)n3)cc2)c1	160932400	PZAHARYNJDQGLH-UHFFFAOYSA-N	310.361	2.142	70	20	DEID	
Cc1ccc(NC(=O)C(=O)NC[C@@H]2CSCCS2)c(C)c1	159674507	PXUMJUAFUFPKEB-GFCCVEGCSA-N	324.471	2.207	70	20	DEID	
COc1ccc([C@H](O)CNS(=O)(=O)c2ccccc2C)cc1	159483311	YLRPTKGABUBECC-OAHLLOKOSA-N	321.398	2.016	70	20	DEID	
CC(C)CCn1ccc(N[C@H](C)C(=O)NC(=O)NCC(C)C)n1	159918723	IVXZSCUQKWJYTN-CYBMUJFWSA-N	323.441	2.211	70	20	DEID	
CC(C)C[C@H](CCO)CNC(=O)N[C@H]1CCOC(C)(C)C1	159376667	WZIGVGMWIFRFLR-KBPBESRZSA-N	300.443	2.288	70	20	DEID	
CCC[C@H](OC)C(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	857672469	BGVHACQZARTXMW-JTQLQIEISA-N	307.318	2.238	70	20	DEID	
CC(F)(F)CNC(=O)CCc1ccc(S(=O)(=O)F)cc1	1340754743	YRYKEHZVDMFNLC-UHFFFAOYSA-N	309.309	2.049	70	20	DEID	
Cc1ccc(NCC(=O)NCC(=O)NC(C)(C)C)c(Cl)c1	161058188	ATRYWBSIVXXGFC-UHFFFAOYSA-N	311.813	2.091	70	20	DEID	
CSc1ccc(S(=O)(=O)N2CCC[C@@H]2C(C)(C)O)cc1	161160206	SZLOGVGALXSWJY-CYBMUJFWSA-N	315.460	2.333	70	20	DEID	
C[C@@]1(C(=O)Nc2ccc(CN3CCCC3=O)cc2)CCCNC1	161354962	SWBMXUBIYGQGGH-GOSISDBHSA-N	315.417	2.137	70	20	DEID	
CN(C)CCN(Cc1cccc(F)c1)C(=O)c1cccnc1O	161510197	PFCHZSABFOYGEL-UHFFFAOYSA-N	317.364	2.130	70	20	DEID	
COCC(=O)N(C)CC(=O)Nc1cccc(OCCC(C)C)c1	160292055	YWHCFHCVNALDDS-UHFFFAOYSA-N	322.405	2.155	70	20	DEID	
COc1ccc(OC)c([C@@H](C)N[C@@H]2CCc3nc(C)nn3C2)c1	160326910	BWEPIEKYYFBSEE-DGCLKSJQSA-N	316.405	2.269	70	20	DEID	
CN(Cc1csc2ccccc12)C(=O)C1(NC(N)=O)CC1	160551647	OBPPZMKMRVDBLE-UHFFFAOYSA-N	303.387	2.061	70	20	DEID	
C[C@@H](c1nc(-c2ccccc2)no1)N1CCC2(C1)OCCO2	160625361	NMHFRIVQPALZQW-LBPRGKRZSA-N	301.346	2.246	70	20	DEID	
CCCCN(CCO)C(=O)NC[C@@H]1CCCCN1CC(C)C	160909385	TVEDCWLPGBGJOM-INIZCTEOSA-N	313.486	2.301	70	20	DEID	
CC(C)CONC(=O)Nc1cccn(CC(F)(F)F)c1=O	160933707	PHZLRWLJXCXYCG-UHFFFAOYSA-N	307.272	2.120	70	20	DEID	
CC[C@H]1CCC[C@@H]1NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1	159820870	RLRSTVTXIKDODV-YDHLFZDLSA-N	324.446	2.048	70	20	DEID	
CN(CCOCc1ccccc1)C(=O)c1ccc(N(C)C)nc1	159460304	IPJGGUBXFCNBJT-UHFFFAOYSA-N	313.401	2.436	70	20	DEID	
C[C@H]1OCCN(C(=O)NC[C@@H](C)N2CCc3ccccc32)[C@@H]1C	159887085	AYBLGZFQECCBAA-RBSFLKMASA-N	317.433	2.256	70	20	DEID	
CSCC[C@@H](CO)NC(=O)CCc1nc2ccccc2s1	159902432	FLLYKIRXFRRJHG-NSHDSACASA-N	324.471	2.459	70	20	DEID	
Cc1nc(CNC(=O)N(C)CCC(=O)OC(C)(C)C)cs1	159574363	TUIMYFDZYOUEFN-UHFFFAOYSA-N	313.423	2.325	70	20	DEID	
C[C@H](C(=O)Nc1ccc(F)cc1F)N(C)C[C@@H]1CCC[C@@H]1O	159794264	HMRAXRZZLRNVJN-ZETOZRRWSA-N	312.360	2.385	70	20	DEID	
CN(Cc1ccc(Cl)s1)C(=O)CN(C)[C@H](CN)C1CC1	160014123	DCPMQECUHVKGOH-GFCCVEGCSA-N	315.870	2.029	70	20	DEID	
CCN(CCNS(=O)(=O)c1c(C)cc(F)cc1C)C1CC1	217886773	FPDOKFFWZXYSDD-UHFFFAOYSA-N	314.426	2.205	70	20	DEID	
COCC[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)ccc1Cl	1338372623	QYIKZTFKWRPYLB-MRVPVSSYSA-N	323.773	2.153	70	20	DEID	
CCCCN(CC)C(=O)CN1CCC[C@@H](c2nncn2CC)C1	161304457	UAMDXAMJWTVLJP-OAHLLOKOSA-N	321.469	2.126	70	20	DEID	
C[C@@H](Sc1ncnc2[nH]cnc12)C(=O)NC1CCCCC1	161339675	VGNVKLWQXWEDQC-SECBINFHSA-N	305.407	2.282	70	20	DEID	
COCCN(C)CCCNC(=O)[C@H]1C[C@@H]1c1sccc1C	161485998	HIHVCLOWWLQVBV-KBPBESRZSA-N	310.463	2.245	70	20	DEID	
CC(=O)NC1CCC(N[C@@H](C)[C@@H](O)c2ccc(F)cc2)CC1	161495919	MYLNSHLOQIDWFU-DHMPVRBDSA-N	308.397	2.285	70	20	DEID	
C[C@H]1CN(C(=O)NC[C@@H]2CCCO2)C[C@@H](c2ccsc2)O1	160180750	UUKXOEJCVXPVLU-UBHSHLNASA-N	310.419	2.399	70	20	DEID	
COc1cccc2c1CC[C@H]2NC(=O)N[C@H](C)Cn1ccnc1	160280815	ZCWFZXCARDZBDO-IUODEOHRSA-N	314.389	2.267	70	20	DEID	
C[C@@H](CO)N(C)C(=O)[C@@H](C)Oc1ccccc1Br	160477283	WZLQZYYKPIVXTO-VHSXEESVSA-N	316.195	2.056	70	20	DEID	
Cc1cccc([C@H](C)S(=O)(=O)CCCCS(C)(=O)=O)c1	160505302	DGIWKHCGFXSSOR-ZDUSSCGKSA-N	318.460	2.296	70	20	DEID	
CN(Cc1ccc(O)cc1)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1	160567460	MKVUROLFXJOYIF-ZBFHGGJFSA-N	304.390	2.491	70	20	DEID	
CC(C)CCn1ccc(NC(=O)NC[C@@H]2CCCN(C)C2)n1	160882274	QQMNMFYEIDBWHF-AWEZNQCLSA-N	307.442	2.393	70	20	DEID	
Cc1cc(N[C@H](C(N)=O)c2ccc(Br)cc2)nn1C	159643058	LIKNKWGVEROCIF-LBPRGKRZSA-N	323.194	2.130	70	20	DEID	
CC(C)n1nccc1C(=O)Nc1ccc2c(c1)C(=O)N(C)CC2	159702456	CDDHRDLRJGFJDS-UHFFFAOYSA-N	312.373	2.344	70	20	DEID	
Cc1c(O)ccc2c(CN3CCCC[C@@H]3CO)cc(=O)oc12	159930219	BBOJIVRRMIAFEK-CYBMUJFWSA-N	303.358	2.154	70	20	DEID	
CN1CCc2ccc(C(=O)N3CC[C@@H](CN4CCCC4)C3)cc21	159393822	DEWZRMUABIIMPU-HNNXBMFYSA-N	313.445	2.237	70	20	DEID	
C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H]2CCCC[C@H]12	1123743435	QBQHMDKIAIAIAM-XWIASGKRSA-N	314.382	2.324	70	20	DEID	
CC(C)SCCNC(=O)c1cccc(S(=O)(=O)F)c1	1337490616	IQBVXZJRTDXKJG-UHFFFAOYSA-N	305.396	2.216	70	20	DEID	
CC1(O)CCN(C(=O)CSc2nc3ccccc3o2)CC1	161247576	WAPFJUPDRYNPHK-UHFFFAOYSA-N	306.387	2.293	70	20	DEID	
COCc1ccc([C@H]2CCCN2C(=O)c2cn(C)nc2C)o1	161439748	KCBNRUAJYXUDRK-CQSZACIVSA-N	303.362	2.445	70	20	DEID	
CCSc1cccc(C(=O)NCC2CCN(CCO)CC2)c1	160008593	FLORZQPOWBQJOY-UHFFFAOYSA-N	322.474	2.233	70	20	DEID	
O=C(C[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CCCc2sccc21	160169674	VZENFXJLLGNTDH-CMPLNLGQSA-N	313.444	2.067	70	20	DEID	
CCOc1cc(NCc2nnc(C3CC3)n2C2CC2)ncn1	160325962	WVBOQNXNACJPGX-UHFFFAOYSA-N	300.366	2.291	70	20	DEID	
C[C@H]1C[C@@H](NCc2ccccc2CN2CCOCC2)CCN1C	160425069	QNYSGWRZFMWUBR-LPHOPBHVSA-N	317.477	2.091	70	20	DEID	
Cc1c(CNC(=O)NCC(C)(C)N2CCC[C@H](C)C2)cnn1C	160524172	VWSRLDKIZKQXCB-ZDUSSCGKSA-N	321.469	2.038	70	20	DEID	
COc1ccccc1[C@H](NC(=O)N[C@H](C)CO)c1ccco1	160636956	ZRBVDABFHAGAPG-ABAIWWIYSA-N	304.346	2.058	70	20	DEID	
CC[C@@H](O)CCNC(=O)NCc1cccc(CN(CC)CC)c1	160967571	CHZYOUPCGCNKSD-QGZVFWFLSA-N	321.465	2.489	70	20	DEID	
CCCC(=O)N1CCC[C@H](C(=O)NCC2(CCOCC)CC2)C1	159402649	KFBRSERUHOEVKQ-HNNXBMFYSA-N	324.465	2.348	70	20	DEID	
COC(=O)CCNC(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)F	159416749	HMLJUHAWBAGVNJ-WDEREUQCSA-N	313.300	2.071	70	20	DEID	
CCCC[C@@H](NC(=O)NC[C@@H]1CCCS1(=O)=O)C1CCC1	159649185	GRTPVISVDQTKGG-UONOGXRCSA-N	316.467	2.222	70	20	DEID	
CN(C)c1ccc(C(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)c(F)c1	159859013	MYSNCFAZGNWIDB-LLVKDONJSA-N	321.396	2.021	70	20	DEID	
COC(=O)C1(NC(=O)c2cc(F)cc3cccnc23)CCC1	159390924	JLEAGZPLVFWGPL-UHFFFAOYSA-N	302.305	2.199	70	20	DEID	
O=C(COCC1CCCC1)Nc1ccc(S(=O)(=O)F)cc1	460090682	IEJLADRDCXFZJD-UHFFFAOYSA-N	315.366	2.490	70	20	DEID	
C=CCCO[C@H](C)C(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	857675007	YCWPNBNUTNIGEJ-SECBINFHSA-N	319.329	2.404	70	20	DEID	
CCc1nnc(NC(=O)c2cccc(S(=O)(=O)F)c2)s1	1336413144	LCHXIMJADHYKFN-UHFFFAOYSA-N	315.351	2.011	70	20	DEID	
CCOC(=O)[C@H]1CCCCN1Cc1c(CC)nn(C)c1CC	161285914	XGUKYSBGWDDGCT-MRXNPFEDSA-N	307.438	2.463	70	20	DEID	
CC[C@@H](NC(=O)C(=O)Nc1nocc1C)c1cc(F)ccc1F	161360544	OIWSXSRBLZUEJN-GFCCVEGCSA-N	323.299	2.467	70	20	DEID	
CCCCOC(=O)CCN1CCC[C@@H](c2nnc3n2CCC3)C1	161402877	IFGUECBCQIYCGT-CQSZACIVSA-N	320.437	2.137	70	20	DEID	
Cc1noc(C)c1[C@H](C)CNC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1	160000082	MAVRBKFYVHEHGF-UHIISALHSA-N	320.437	2.319	70	20	DEID	
CN(c1ccc(S(=O)(=O)C(F)(F)F)cc1)[C@@H](CN)C1CC1	160171386	JIMPYXRMPJATQB-LBPRGKRZSA-N	322.352	2.154	70	20	DEID	
C[C@@H]1Oc2ccccc2N(CC(=O)NCC2(C3CC3)CC2)C1=O	160198543	DMDXPQRTHXGPCB-LBPRGKRZSA-N	314.385	2.107	70	20	DEID	
Cn1c(C(=O)Nc2ccc(OC(F)F)c(F)c2)cccc1=O	160318991	CYXSSKZTVQGTGB-UHFFFAOYSA-N	312.247	2.378	70	20	DEID	
CCOC(=O)Cc1csc(NC(=O)C[C@H](C)SC)n1	160396311	MJXDDKCFMDNCHC-QMMMGPOBSA-N	302.421	2.329	70	20	DEID	
C[C@@H](NCc1ccccc1CN1CCOCC1)[C@H]1CCOC1	160436381	POQXHSCCTREMGC-QAPCUYQASA-N	304.434	2.033	70	20	DEID	
CCC[C@@H]1CN(C(=O)NCCN(C)Cc2ccccc2)CCO1	160519478	ZYYNJBGTYHQYQV-QGZVFWFLSA-N	319.449	2.329	70	20	DEID	
CCCC1(CNC(=O)[C@@H](C)Sc2nnnn2C2CC2)CC1	160683476	VNBITPNEDYCJNQ-SNVBAGLBSA-N	309.439	2.185	70	20	DEID	
O=C(N[C@H]1CCN(C2CCCC2)C1)N(C[C@@H]1CCOC1)C1CC1	160821144	GXKOJQOFIVLQPD-GJZGRUSLSA-N	321.465	2.214	70	20	DEID	
CC(C)CN1CCCC[C@@H]1CNC(=O)NC[C@@H](C)C[C@@H](C)O	160965184	DSLOGKSXADWNOU-ARFHVFGLSA-N	313.486	2.203	70	20	DEID	
C[C@H](O)[C@H]1CCCN(C(=O)Nc2ccc3c(c2)N(C)CCO3)C1	159638169	ZIGGHEJGTYATKU-STQMWFEESA-N	319.405	2.140	70	20	DEID	
C[C@@H](C(=O)N1C[C@@H](C)CSc2ccccc21)S(C)(=O)=O	159533574	JAAQAPGGBRMQTL-MNOVXSKESA-N	313.444	2.195	70	20	DEID	
CCOC(=O)NCCCC(=O)Nc1ccc2oc(=O)ccc2c1	159948192	JDLMLCWQHIOALI-UHFFFAOYSA-N	318.329	2.258	70	20	DEID	
CN(C(=O)c1ccc(=O)n(-c2ccccc2F)n1)c1ccccn1	159969668	ZLXSCHRBKIMQJH-UHFFFAOYSA-N	324.315	2.043	70	20	DEID	
N[C@H]1CCC[C@@H](NC(=O)Cc2ccccc2Br)C1	160889737	PVSKNNYGTPKNKI-NWDGAFQWSA-N	311.223	2.378	70	20	DEID	
C[C@@]1(C(=O)Nc2ccc(S(=O)(=O)F)c(F)c2)CC1(F)F	857672916	MCYGVNZJHJAJBK-JTQLQIEISA-N	311.256	2.468	70	20	DEID	
CC[C@H](CNC(=O)c1cc(S(=O)(=O)F)ccc1Cl)OC	1337584743	ROIXMUYUFHVXHN-MRVPVSSYSA-N	323.773	2.153	70	20	DEID	
O=C(NC[C@H]1CCc2ccccc21)c1cc(S(=O)(=O)F)c[nH]1	1337520017	NDQQSMIKIBUQHB-LLVKDONJSA-N	322.361	2.133	70	20	DEID	
Cc1cc(C)cc(CCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)c1	1337520145	RSAJHRKXFZJJFX-UHFFFAOYSA-N	324.377	2.262	70	20	DEID	
CC(C)(C)OCCOC(=O)c1cccc(S(=O)(=O)F)c1	1354179774	ABGNOOPWKDCRHV-UHFFFAOYSA-N	304.339	2.317	70	20	DEID	
CCNCC1CCN(C(=O)CCOc2ccc(F)cc2)CC1	161035084	JPXNATQSERNLOY-UHFFFAOYSA-N	308.397	2.443	70	20	DEID	
CCCc1c(C(=O)N[C@H]2CCC[C@@H](N)C2)[nH]c(C)c1C(C)=O	161509400	TWTFIVGAFGLIOA-OLZOCXBDSA-N	305.422	2.478	70	20	DEID	
CCCOc1ncccc1CNC(=O)N(C)C[C@@H]1CCC[C@@H]1O	160036531	YHPJNBOXLOBFOI-GJZGRUSLSA-N	321.421	2.173	70	20	DEID	
CN(c1nc(CSCCN2CCOCC2)cs1)C1CC1	160037664	UPTYHYFJTGKBMI-UHFFFAOYSA-N	313.492	2.307	70	20	DEID	
Cc1cc(Cl)ccc1C(=O)NCC(=O)Nc1cccnc1	160151097	XZVTWVSANSBBKC-UHFFFAOYSA-N	303.749	2.412	70	20	DEID	
Cc1cc(NC(=O)CCN2CCN(c3cccs3)CC2)no1	160317954	CNIPVUDGAAINTQ-UHFFFAOYSA-N	320.418	2.195	70	20	DEID	
Cc1c(CNC(=O)NCc2cccc(OC(F)F)c2)cnn1C	160810217	OYYJJLODJJUINV-UHFFFAOYSA-N	324.331	2.329	70	20	DEID	
NC1(CNC(=O)c2ccn(-c3ccc(F)cc3)n2)CCCCC1	159470927	UPJALCNISFTPPV-UHFFFAOYSA-N	316.380	2.403	70	20	DEID	
COc1ccc(S(=O)(=O)N(C)c2ncccc2OC)cc1C	159549528	KXECFUZQFFDRSK-UHFFFAOYSA-N	322.386	2.232	70	20	DEID	
c1ccc(-c2noc(CSCCN3CCOCC3)n2)cc1	159970353	MVYGYSYVYGILFQ-UHFFFAOYSA-N	305.403	2.302	70	20	DEID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)NCC1(CC#N)CC1	1337568024	OTCLPZIWOHOHIY-UHFFFAOYSA-N	310.350	2.077	70	20	DEID	
CC[C@@H](Cc1ccccc1)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1354460849	FCOLTNCUHNTDBM-LBPRGKRZSA-N	324.377	2.424	70	20	DEID	
COc1ccc(C)cc1CCNC(=O)NOCc1cccnc1	161026080	RPZLRELXYGVHIY-UHFFFAOYSA-N	315.373	2.372	70	20	DEID	
COC(=O)c1csc(NC(=O)N[C@@H](C)C2CCOCC2)c1	161099536	MAAUUKSLBURPCX-VIFPVBQESA-N	312.391	2.471	70	20	DEID	
COC(=O)N1CCC(NC(=O)c2cc(C)nc(Cl)c2)CC1	160282689	IHRUJVLPRWPFOC-UHFFFAOYSA-N	311.769	2.004	70	20	DEID	
CCOc1cc(CCCNC(=O)N[C@@H](C)CCO)ccc1OC	160401086	UAOFDJJAVUFBIG-ZDUSSCGKSA-N	324.421	2.097	70	20	DEID	
O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)N1CCN(C2CCCC2)CC1	160406251	AUBUMCAFSLFRFA-NVXWUHKLSA-N	321.465	2.214	70	20	DEID	
CCc1nc(Cl)c(C)c(N2CC[C@H]3NC(=O)CC[C@@H]3C2)n1	160517868	LZOFKXWFJXNVCY-GHMZBOCLSA-N	308.813	2.106	70	20	DEID	
COCCCn1ccc(NC(=O)C[C@@H](C)c2ccncc2)n1	160638153	XVYOJLNGXWAOLT-CYBMUJFWSA-N	302.378	2.447	70	20	DEID	
Cc1ccccc1C(=O)NC1CCN([C@@H]2CCCC[C@H]2O)CC1	160692032	HDNZEOJQIJEPJB-QZTJIDSGSA-N	316.445	2.493	70	20	DEID	
O=C(C[C@@H]1CCCN1)N[C@H](Cc1ccccc1)C(F)(F)F	160836569	PACCGNOWHUOZJH-QWHCGFSZSA-N	300.324	2.418	70	20	DEID	
Cc1noc(C)c1[C@H](C)CNC(=O)NOCc1cccnc1	160875006	RCQRUKXVBSMDQU-SNVBAGLBSA-N	304.350	2.221	70	20	DEID	
C[C@@H](O)[C@H]1CCN(C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)C1	160878874	WJTLJOOUCWAIAV-XBVQOTNRSA-N	318.417	2.319	70	20	DEID	
Cc1nc2ccccn2c1CN1CC[C@H](Cc2cnn(C)c2)C1	160928454	YRRWMQHEJVTXNW-OAHLLOKOSA-N	309.417	2.441	70	20	DEID	
CCCOc1ccc(CNC(=O)N(C)C[C@@H]2CCC[C@@H]2O)cn1	160974649	VZWNPLIBMIMKJW-GJZGRUSLSA-N	321.421	2.173	70	20	DEID	
CCNCC1CCN(C(=O)c2cc(F)cc3[nH]cnc23)CC1	160992350	UFWWWZJOEQVMBR-UHFFFAOYSA-N	304.369	2.164	70	20	DEID	
COc1ccccc1[C@@H](NC(=O)[C@H](C)N(C)C)c1ccccn1	159820320	ZTUZNTKPJGWHEU-SUMWQHHRSA-N	313.401	2.246	70	20	DEID	
CCOC(=O)CCc1ccc(NC(=O)NCC[C@H](C)O)cc1	159584766	PVECPDNRMWIGCL-LBPRGKRZSA-N	308.378	2.075	70	20	DEID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N[C@@H]1CSC[C@H]1C	1354971926	XOQCOGWBRBCXDF-BXKDBHETSA-N	317.407	2.135	70	20	DEID	
O=C(NCC1(CS(=O)(=O)Cl)CC1)OCc1ccccc1	219109536	LKHOHKKZOMNHEX-UHFFFAOYSA-N	317.794	2.262	70	20	DEID	
COCCC1(CNC(=O)N(C)Cc2ccc(OC)c(O)c2)CC1	161073751	YICSHFRDIBXETP-UHFFFAOYSA-N	322.405	2.359	70	20	DEID	
CCC[C@@H](CCO)CNC(=O)/C=C/c1ccc(C(=O)OC)cc1	161155981	PMNVXWVWTLOBTQ-VSGCLNPGSA-N	319.401	2.401	70	20	DEID	
COC(=O)CN(C(=O)c1cccc(-c2nnc(C)o2)c1)C(C)C	160037210	IDLLWIUXDATBHH-UHFFFAOYSA-N	317.345	2.069	70	20	DEID	
CCOc1ccc(N2CCN([C@@H](C)c3ccccn3)CC2)nn1	160084892	BPPLDEAQSZLCEM-AWEZNQCLSA-N	313.405	2.154	70	20	DEID	
NC[C@H]1CCCN1C(=O)c1cnn(Cc2ccccc2Cl)c1	160345727	WJZTYOPYRQKNGQ-CQSZACIVSA-N	318.808	2.148	70	20	DEID	
Cc1ccsc1[C@@H](C)NC1CCN(CC(=O)N(C)C)CC1	160391079	LIJFBWOLYRFKKD-CYBMUJFWSA-N	309.479	2.260	70	20	DEID	
Cc1cc(CSc2ncccc2C(=O)NC[C@H](C)CO)no1	160436683	NNDNJVLMXPNOFW-JTQLQIEISA-N	321.402	2.029	70	20	DEID	
O=C1CC[C@@H]2CN(C(=O)Cc3ccc(Cl)cc3)CC[C@H]2N1	160564135	NFMDJPVCDXOBMY-TZMCWYRMSA-N	306.793	2.010	70	20	DEID	
O=C(CN[C@H]1CCCOc2ccccc21)NCC(F)(F)F	160588766	ZFOAUPMJHYJYCA-NSHDSACASA-N	302.296	2.168	70	20	DEID	
O=C1CC[C@@H]2CN(C(=O)c3c(F)cccc3Cl)CC[C@@H]2N1	160604717	OCGNCMIFGPZIRO-SKDRFNHKSA-N	310.756	2.220	70	20	DEID	
CC(C)CSCCCNC(=O)[C@H](C)N1CCSCC1	160801633	UXHSEESRTBYJSK-ZDUSSCGKSA-N	304.525	2.319	70	20	DEID	
COc1ccc(CCCC(=O)NC[C@H](C)CCO)c(OC)c1	159610960	DXBGVKMCWNGHTR-CYBMUJFWSA-N	309.406	2.161	70	20	DEID	
CC1(C)C[C@@H](C(=O)Nc2cccc(S(=O)(=O)F)c2)CCO1	1121193783	QZZQAYPVBPHZHT-JTQLQIEISA-N	315.366	2.489	70	20	DEID	
CCN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)c1ccccc1F	1339472979	XYHVPLZIIQJLJU-UHFFFAOYSA-N	314.313	2.479	70	20	DEID	
COC(C)(C)C[C@@H](C)NC(=O)c1cccc(S(=O)(=O)F)c1	1337519753	HQKGZZZBFZQSRT-SNVBAGLBSA-N	317.382	2.278	70	20	DEID	
CC1(C)C[C@H](C(=O)Nc2ccc(S(=O)(=O)F)cc2)CCO1	1340608569	RBFUGFTYDQZSAO-SNVBAGLBSA-N	315.366	2.489	70	20	DEID	
CCOc1cccc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)c1	1345452279	SCZVLWGEUPCDJY-UHFFFAOYSA-N	312.322	2.324	70	20	DEID	
CC[C@H](C#N)NC(=O)c1cc(S(=O)(=O)F)ccc1Cl	1518009133	MNHCUXGZGISWQC-SSDOTTSWSA-N	304.730	2.030	70	20	DEID	
O=C(NOCc1cccnc1)c1csc([C@H]2CCCO2)n1	161042269	PESXXKVGXQLVRJ-GFCCVEGCSA-N	305.359	2.251	70	20	DEID	
CCc1ncc(NC(=O)Nc2cccc(-n3ccnn3)c2)cn1	161196161	ONIFMCDIUGDYIU-UHFFFAOYSA-N	309.333	2.264	70	20	DEID	
O=C(CCCNC(=O)c1cccnc1)Nc1ccc(Cl)cn1	160086596	YAVYTCZZNUDLQK-UHFFFAOYSA-N	318.764	2.279	70	20	DEID	
O=C(NCc1ncccc1F)Nc1ccc(-n2cccn2)nc1	160142969	GEOVYFLNUMEBQG-UHFFFAOYSA-N	312.308	2.123	70	20	DEID	
C[C@@H](NC(=O)[C@H]1CCCCO1)c1ccc(-n2cncn2)cc1	160152375	UMHMCHQZNKZFHT-IUODEOHRSA-N	300.362	2.014	70	20	DEID	
COCCN(Cc1ccco1)C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1	160428623	QNYUSGGALQCXCY-GDBMZVCRSA-N	322.405	2.395	70	20	DEID	
O=C1CN(Cc2ccc(-c3nc4ccccc4s3)o2)CCN1	160482811	VMAFBVBKLFJWJC-UHFFFAOYSA-N	313.382	2.488	70	20	DEID	
CCCN1CCN(C(=O)Nc2cc(C(=O)OC)cs2)CC1	160787939	FEPVFPDWGATDCC-UHFFFAOYSA-N	311.407	2.094	70	20	DEID	
COC(=O)c1csc(NC(=O)NCCN2CCCCC2)c1	160840928	RIAXEJDINAQGJX-UHFFFAOYSA-N	311.407	2.142	70	20	DEID	
COC[C@@H](O)CCNC(=O)c1cc(Cl)ccc1OC(F)F	160870166	IBPDMXUQXQEGLP-VIFPVBQESA-N	323.723	2.069	70	20	DEID	
COC1(C(=O)N2C[C@H](c3ccc(F)cc3)C[C@@H]2C)CCNCC1	159805489	PZNILBWFDLAENB-DZGCQCFKSA-N	320.408	2.299	70	20	DEID	
CCS(=O)(=O)C[C@@H](C)N(C)c1nc(C(C)(C)C)ns1	159464225	YDOUAUDNBZDPNL-SECBINFHSA-N	305.469	2.095	70	20	DEID	
COc1cc(C(=O)N[C@@H](C)CN2CCCCC2)cc(OC)c1O	159900036	AECQSGOLNTYPPA-LBPRGKRZSA-N	322.405	2.014	70	20	DEID	
C[C@H](NCc1cn2ccccc2n1)c1cccc(-n2cnnn2)c1	159398291	JHJAZMSKLPASGE-ZDUSSCGKSA-N	319.372	2.161	70	20	DEID	
Cc1ccc(CSCC(=O)N(CC(N)=O)CC(C)C)cc1	159793436	OBTREICDYRGCQW-UHFFFAOYSA-N	308.447	2.198	70	20	DEID	
COCCCNC(=O)NCCc1cccc(Br)c1	217474474	JPKPRIJPBMUDMV-UHFFFAOYSA-N	315.211	2.327	70	20	DEID	
C=CCCOCC(=O)Nc1ccc(F)c(CS(=O)(=O)F)c1	876318861	KJQXTYNJOKYUPR-UHFFFAOYSA-N	319.329	2.156	70	20	DEID	
CCOc1cccc2c1OCC(C(=O)N[C@@H]1CCC[C@@H](N)C1)=C2	161083659	YMGSHYIMMKQYKT-HUUCEWRRSA-N	316.401	2.247	70	20	DEID	
NCC1(C(=O)NCCc2nc(C(F)(F)F)cs2)CCCC1	161203457	KVIAMGANVXCWRS-UHFFFAOYSA-N	321.368	2.340	70	20	DEID	
C[C@H](Sc1ncnc2[nH]cnc12)C(=O)NC1CCCCC1	161339581	VGNVKLWQXWEDQC-VIFPVBQESA-N	305.407	2.282	70	20	DEID	
Cc1ccc(OCCCNC(=O)N2CCC[C@@](C)(O)C2)cc1	161472954	FFGDBUDOPPVGOP-QGZVFWFLSA-N	306.406	2.320	70	20	DEID	
CCc1c(C(=O)N(C)CCCn2ccnc2)cnn1CC(C)C	160069883	OWHFOAIVOQUEBY-UHFFFAOYSA-N	317.437	2.460	70	20	DEID	
CCn1ncc2ccc(NC(=O)N3CCC[C@@](C)(O)C3)cc21	160570818	WTQKUJGQKIPALZ-MRXNPFEDSA-N	302.378	2.435	70	20	DEID	
COC[C@H]1CCCN(C(=O)N[C@@H]2CCN(C3CCCC3)C2)C1	160828319	PGYWILBDDALKGU-LSDHHAIUSA-N	309.454	2.071	70	20	DEID	
O=C(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1ccon1	159908767	STCLBTYKYPFNDH-LBPRGKRZSA-N	323.711	2.002	70	20	DEID	
CC[C@H](NC(=O)N1CCCN(CC)CC1)c1c(C)nn(C)c1C	159925412	SQHPUXOHVGROBW-HNNXBMFYSA-N	321.469	2.225	70	20	DEID	
CS(=O)(=O)NCC[C@@H]1CCCCN1CCC1CCCC1	159397649	ZYBDXQJBNLHCFC-HNNXBMFYSA-N	302.484	2.361	70	20	DEID	
CC(C)n1ccc(NC(=O)c2cccc(S(=O)(=O)F)c2)n1	1354886128	RTNOFDICIUQVHM-UHFFFAOYSA-N	311.338	2.375	70	20	DEID	
O=C(Cc1ccc(Br)c(F)c1)NC[C@@H]1CCOC1	161106204	YBGHIYMLLYGYCA-JTQLQIEISA-N	316.170	2.283	70	20	DEID	
O=C(Nc1cnn(CC(F)(F)F)c1)[C@H]1C[C@H]2CCCC[C@@H]2N1	161191167	SQVHUISQDPGJSL-ADEWGFFLSA-N	316.327	2.305	70	20	DEID	
O=C(NC1CCN(C2CC2)CC1)c1csc([C@H]2CCCO2)n1	161294143	NMJWMYPKVIDMND-CQSZACIVSA-N	321.446	2.351	70	20	DEID	
CNC[C@H]1CCCN1C(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1	161308219	LQZBCXCEQHXQPE-WQVCFCJDSA-N	315.417	2.105	70	20	DEID	
Cc1c(CNC(=O)NCCO[C@H]2CCCC[C@H]2C)cnn1C	160285632	OVKSFRMDOUNQKK-DOMZBBRYSA-N	308.426	2.123	70	20	DEID	
CC1(C)CCC(CC(=O)N[C@@H](CC(N)=O)C2CCOCC2)CC1	160287563	SEISBDUASIHITE-HNNXBMFYSA-N	324.465	2.380	70	20	DEID	
CC[C@H](COC)NS(=O)(=O)c1ccc(OC)c(Cl)c1	160313305	NHBBUYQFRLCALV-SECBINFHSA-N	307.799	2.052	70	20	DEID	
CN1CCC(NC(=O)Nc2ccc(O[C@H]3CCOC3)cc2)CC1	160335775	WGSPAWAFZGHZIT-INIZCTEOSA-N	319.405	2.070	70	20	DEID	
CC[C@@H](C(=O)NCc1ccc(C(N)=O)o1)c1ccc(F)cc1	160723543	BUHCMXXTRJPBIW-CYBMUJFWSA-N	304.321	2.328	70	20	DEID	
NC(=O)[C@H]1CCCC[C@H]1NC(=O)c1cc(F)c(Cl)cc1F	160734922	JZVHRODMZXJSQB-JVXZTZIISA-N	316.735	2.392	70	20	DEID	
CN(C)Cc1ccnc(NC(=O)C[C@H]2CSCCS2)c1	160875230	MQENFHXUCMOCTQ-LBPRGKRZSA-N	311.476	2.320	70	20	DEID	
CCCCn1ncc(NC(=O)NCCC(=O)NC(C)C)c1C	159618631	KUJHNOZNFNPIRH-UHFFFAOYSA-N	309.414	2.028	70	20	DEID	
CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)CCNC(N)=O	159485625	MDSYNKSRDFEWIL-OAHLLOKOSA-N	305.422	2.223	70	20	DEID	
COc1ccccc1NC(=O)[C@H](C)SCCN1CCOCC1	159926305	ZCXYNDNBRORVCQ-ZDUSSCGKSA-N	324.446	2.088	70	20	DEID	
CO[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc2[nH]c(C)cc2c1	159944218	BPLGHDMPYCQVAD-HUUCEWRRSA-N	315.373	2.099	70	20	DEID	
COc1ncc(NC(=O)C2CCC(C)(C)CC2)cc1C(N)=O	159369438	BFEVLGKOCMAPIO-UHFFFAOYSA-N	305.378	2.344	70	20	DEID	
CCc1ncnc(NCc2ccc(S(C)(=O)=O)cc2)c1F	217971704	QBECKHUSSXLCSM-UHFFFAOYSA-N	309.366	2.194	70	20	DEID	
O=C(COc1cccnc1)NC[C@H]1CCCN1c1ccccc1	217840967	GZLGFWTVYIFHFY-MRXNPFEDSA-N	311.385	2.246	70	20	DEID	
O=[N+]([O-])c1ccc(NCCC(F)F)c(CS(=O)(=O)F)c1	1120922663	OVZBOKWDNAVVDY-UHFFFAOYSA-N	312.269	2.461	70	20	DEID	
O=C(CCc1ccc(S(=O)(=O)F)cc1)Nc1nccs1	685945087	UBICCFLWXDCLAX-UHFFFAOYSA-N	314.363	2.373	70	20	DEID	
O=C(Nc1ccc(OC2CCCC2)c(F)c1)[C@H]1CNCCO1	161335790	MJGSKOWHRRKAMG-OAHLLOKOSA-N	308.353	2.074	70	20	DEID	
CCc1nnsc1C(=O)NC[C@H](C[C@@H](C)O)c1ccccc1	160182627	QYSCRSCAKAINEX-YPMHNXCESA-N	319.430	2.385	70	20	DEID	
CC(=O)N[C@H](C(=O)N(C)c1ccc2c(c1)OCO2)C1CCCC1	160463373	BIQXPUGYUSTOMO-INIZCTEOSA-N	318.373	2.073	70	20	DEID	
CN(CC[C@@H]1CCCCN1C)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1	160587078	KCRIDHLGJDQMER-IKGGRYGDSA-N	323.481	2.460	70	20	DEID	
C[C@@H](Cc1ccc(Cl)cc1)C(=O)N(C)CC(=O)NC1CC1	160736140	YVQRNXQHVZCJDO-NSHDSACASA-N	308.809	2.256	70	20	DEID	
CC(=O)Nc1cccc(NC(=O)CN(C)[C@H]2CCSC2)c1C	159718086	PMBVIKVIJGSVFC-ZDUSSCGKSA-N	321.446	2.329	70	20	DEID	
CCCCNC(=O)[C@@H](C)Sc1nnc(-c2ccccn2)n1C	159544759	NGTCWONRPHAYDK-LLVKDONJSA-N	319.434	2.274	70	20	DEID	
Cc1noc(C)c1[C@H](C)CNC(=O)NCCC1CCN(C)CC1	159771116	GQNMJRFIMCWOGJ-GFCCVEGCSA-N	322.453	2.426	70	20	DEID	
O=C(NC[C@H]1CCC[C@@H]1C1CC1)c1cc(S(=O)(=O)F)c[nH]1	1354886188	SIXJSNJMHASEEO-ZYHUDNBSSA-N	314.382	2.229	70	20	DEID	
O=C(Nc1cc2c(cn1)CCCC2)c1cc(S(=O)(=O)F)c[nH]1	1121094653	IXTCGULTAUXZKR-UHFFFAOYSA-N	323.349	2.199	70	20	DEID	
NC(=O)NC1(C(=O)N2CCC[C@H]2c2cccc(Cl)c2)CC1	161017436	RIFAPELDTZSIEP-LBPRGKRZSA-N	307.781	2.204	70	20	DEID	
C[C@@H]1CCCC[C@@H]1NC(=O)CSc1ncnc2[nH]cnc12	161351001	AGKFRHAOVMOVEV-ZJUUUORDSA-N	305.407	2.140	70	20	DEID	
Cn1ccnc1[C@@H](NC(=O)[C@@H]1CCCCO1)c1cccc(F)c1	160319139	OAPQKVUZSMCRMS-GJZGRUSLSA-N	317.364	2.334	70	20	DEID	
CCCCCC[C@@]1(C)NC(=O)N(Cc2nnc(CC)o2)C1=O	160558255	JVVZZIFPVKJHPM-OAHLLOKOSA-N	308.382	2.413	70	20	DEID	
CN(C)C(=O)COc1ccccc1CN[C@@H]1CCOC(C)(C)C1	160574277	LINQQOMLKLWEIF-OAHLLOKOSA-N	320.433	2.201	70	20	DEID	
CCCCNc1ccccc1C(=O)N[C@H](C)[C@H]1CN(C)CCO1	160628402	XIILJNFGIJPZFZ-RHSMWYFYSA-N	319.449	2.348	70	20	DEID	
Cc1ccc(C)c([C@H]2CCCN2C(=O)[C@H](C)S(C)(=O)=O)c1	160658312	RIXNUVHCWMLMCZ-DZGCQCFKSA-N	309.431	2.400	70	20	DEID	
CN[C@@H]1CCN(C(=O)Cc2csc(-c3cccc(C)c3)n2)C1	160785853	ICIWSXOVGQNAMD-CQSZACIVSA-N	315.442	2.481	70	20	DEID	
O=C(NC[C@@H]1CCCS1(=O)=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	159810392	HBFHHRFFTQYPPJ-YJNKXOJESA-N	313.463	2.286	70	20	DEID	
CC(=O)N1CC[C@@H](C(=O)Nc2cc(F)ccc2OC(F)F)C1	159461206	BUWKGVKZFCXFHL-SECBINFHSA-N	316.279	2.234	70	20	DEID	
Cc1cc(F)ccc1NC(=O)NCC1CCS(=O)(=O)CC1	159541150	TZVUEAXOCJGGCV-UHFFFAOYSA-N	314.382	2.080	70	20	DEID	
Cc1ccc(-c2nc(C(=O)N3CCNCC3)cs2)c(C)c1	159386797	RSYDAJSBDKFMSP-UHFFFAOYSA-N	301.415	2.472	70	20	DEID	
Cc1ccc(N2CC[C@@H](N(C)C[C@@H]3CCC[C@@H]3O)C2=O)cc1	159588938	CWIJMQSHMAWKOZ-UAGQMJEPSA-N	302.418	2.193	70	20	DEID	
CCN1CCCN(C(=O)NCCc2ccc(Cl)nc2)CC1	159989002	CDEQJJYEMAAJGR-UHFFFAOYSA-N	310.829	2.015	70	20	DEID	
CCC(CC)(CC)CNC(=O)N1CCS(=O)(=O)[C@H](C)[C@@H]1C	159793691	WCOICLUPXBWKAN-QWHCGFSZSA-N	318.483	2.420	70	20	DEID	
CC/C(C)=C/C(=O)NCC1CCN(C(=O)C(F)(F)F)CC1	216743506	IGJIGOBAPMWXRM-CSKARUKUSA-N	306.328	2.260	70	20	DEID	
O=C(Nc1cccc(S(=O)(=O)F)c1)[C@@H]1Cc2ccccc2O1	460094194	RLHCCGSZLQWRHY-AWEZNQCLSA-N	321.329	2.287	70	20	DEID	
C[C@H](Sc1ccc([N+](=O)[O-])cc1CS(=O)(=O)F)[C@@H](C)O	882035784	PQNJEOMIACLBBI-SFYZADRCSA-N	323.367	2.256	70	20	DEID	
C[C@@H]1CCC[C@@H](C)N(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1337519787	JDLAKBIMHXPIIA-NXEZZACHSA-N	302.371	2.324	70	20	DEID	
COCCC(=O)N1CCC(NC(=O)C2CCC(C)(C)CC2)CC1	161158081	VFABANYBQQQMHW-UHFFFAOYSA-N	324.465	2.347	70	20	DEID	
C[C@@H](N1CCN(CCCN2CCCCC2)CC1)C(F)(F)F	161422036	KNTZPKCQGYJPAE-CQSZACIVSA-N	307.404	2.431	70	20	DEID	
O=C(CCNC(=O)c1ccco1)N[C@H]1CCOC2(CCCC2)C1	160183020	AAYUGSLQAQWFRY-ZDUSSCGKSA-N	320.389	2.008	70	20	DEID	
CN(C(=O)CCOCC(F)(F)F)c1ccc2c(c1)OCO2	160333018	ZEVMJHIQLIAPOK-UHFFFAOYSA-N	305.252	2.347	70	20	DEID	
Cc1cc(NC(=O)CN2CCC[C@@H]2c2cccc(C)n2)on1	160436806	LUHIDGBWICEIMK-CQSZACIVSA-N	300.362	2.462	70	20	DEID	
CCC(N)(CC)CNC(=O)CC[C@H]1Cc2ccccc2NC1=O	160456143	VADRKRUXSGDMSR-AWEZNQCLSA-N	317.433	2.211	70	20	DEID	
COC(=O)C1CCC(NC(=O)C[C@H](C)c2ccncc2)CC1	160466645	IPBSIMFVBRCUHT-GRTSSRMGSA-N	304.390	2.423	70	20	DEID	
COC(=O)c1cccc(CC(=O)N2C[C@@H](C)OC(C)(C)C2)c1	160485984	HNXUPXHIUOPCBO-GFCCVEGCSA-N	305.374	2.042	70	20	DEID	
CC[C@@H](NC(=O)[C@@H]1CCc2cn[nH]c2C1)c1c(C)noc1C	160613477	BKAVOQRHTFUEJT-DGCLKSJQSA-N	302.378	2.387	70	20	DEID	
COc1ccc(C(=O)CCC(=O)N[C@H]2CCC[C@H](N)C2)cc1F	160887787	DKVPJOPTMZJXRG-STQMWFEESA-N	322.380	2.183	70	20	DEID	
Cc1ccc(C)c(-n2ncc(C(=O)N3CCN(C)CC3)c2C)c1	160962714	HUPJPSVUEZUTDL-UHFFFAOYSA-N	312.417	2.185	70	20	DEID	
OC[C@H]1CCCCN1Cc1cn(-c2ccc(Cl)cc2)nn1	159894795	LXVKETBYKUUASS-OAHLLOKOSA-N	306.797	2.268	70	20	DEID	
CSC[C@@H](C)C(=O)Nc1cccn(CC(F)(F)F)c1=O	159905912	CFAQMVZWEIACHU-MRVPVSSYSA-N	308.325	2.348	70	20	DEID	
CC(C)NC(=O)N1CCC[C@H]1C(=O)Nc1nc2ccccc2[nH]1	159941386	HNTJJQSLMTXQCN-ZDUSSCGKSA-N	315.377	2.084	70	20	DEID	
COC[C@H](NC(=O)Nc1ccc(C(=O)NC(C)C)cc1)C1CC1	159361921	UKXRGDWNHIHHKD-HNNXBMFYSA-N	319.405	2.371	70	20	DEID	
COc1cc(F)c([C@H](C)NC(=O)CCNC(C)C)cc1OC	159963115	KCKMZPPPWAPIHL-NSHDSACASA-N	312.385	2.408	70	20	DEID	
Cn1cc(C(=O)NC[C@]2(C)CCCO2)c(-c2cccs2)n1	159384347	XYOPHJHEPDYANF-HNNXBMFYSA-N	305.403	2.448	70	20	DEID	
O=C(/C=C/[C@@H]1CCOC1)Nc1ccc(S(=O)(=O)F)c(F)c1	857672851	KUHAPXRVDNFNSL-CITMHJQUSA-N	317.313	2.015	70	20	DEID	
O=C(OC[C@H]1CCC[C@H](O)C1)c1cccc(S(=O)(=O)F)c1	1333519125	LTLXMFLKIVATBS-JQWIXIFHSA-N	316.350	2.053	70	20	DEID	
CC(C)COc1ccc(S(=O)(=O)NCC(C)(C)CO)cc1	160350232	NPZYPVJBVGXWEI-UHFFFAOYSA-N	315.435	2.018	70	20	DEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@@H]1Cc1ccccc1	1520865078	GTDDPUMFUABCEA-GFCCVEGCSA-N	322.361	2.130	70	20	DEID	
Cc1cc(C(=O)NCCc2nccn2Cc2ccccc2)ncn1	161417114	HOODGHRBEXECCF-UHFFFAOYSA-N	321.384	2.002	70	20	DEID	
CNC(=O)c1ccc(NC(=O)N[C@]2(C)CCOC2)cc1Cl	161455377	ZKVZHIKABDVJRC-CQSZACIVSA-N	311.769	2.000	70	20	DEID	
COc1ccc(S(=O)(=O)N[C@H](C)c2cccc(O)c2)cc1	160136462	WTPZQMWHNAWSGZ-LLVKDONJSA-N	307.371	2.440	70	20	DEID	
CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(C)ccc1S(N)(=O)=O	160258310	DVCDROKUTGDENK-OCCSQVGLSA-N	324.446	2.341	70	20	DEID	
CC(C)Oc1cc(CNC(=O)N[C@@H](C)C2CCOCC2)ccn1	160461905	JUDLSUSLTCTJJW-ZDUSSCGKSA-N	321.421	2.483	70	20	DEID	
C[C@@H](NCc1ccc(CN2CCOCC2)cc1)[C@H]1CCOC1	160580680	FAKYATNPNOMUJP-QAPCUYQASA-N	304.434	2.033	70	20	DEID	
CC[C@H](C)CS(=O)(=O)N1CCN(C)c2ccc(F)cc21	160882307	FIISIBJTKRYMCQ-NSHDSACASA-N	300.399	2.458	70	20	DEID	
CCOCCC1(CNC(=O)N[C@H]2CCC[C@H](N(C)C)C2)CC1	160907310	BZPXMEMZXYFEHF-GJZGRUSLSA-N	311.470	2.365	70	20	DEID	
CC(C)(O)CNS(=O)(=O)Cc1cc(Cl)cc(Cl)c1	160992197	WYTOBKYMOJFHNY-UHFFFAOYSA-N	312.218	2.184	70	20	DEID	
COCCN(Cc1ccc(C)o1)C(=O)NCCc1cscn1	159443711	FGFSFZRFGKFWAO-UHFFFAOYSA-N	323.418	2.445	70	20	DEID	
C[C@H](CNC(=O)c1ccc(N(C)C)cc1F)CN1CCCC1	159377904	XLXOAFPMUQKWPH-CYBMUJFWSA-N	307.413	2.353	70	20	DEID	
COc1ccc2nc(C(=O)N3C[C@@H]4CCC[C@H](C3)N4)ccc2c1	159380009	CAVSEFQXIPZWOC-OKILXGFUSA-N	311.385	2.210	70	20	DEID	
CCCN(C)[C@@H](C(N)=O)c1ccc(Br)cc1F	159779471	HESNQQLDXIKOGS-LLVKDONJSA-N	303.175	2.456	70	20	DEID	
Cc1n[nH]c(C(C)C)c1C(=O)N1CCN(C(=O)C(C)(C)C)CC1	159798260	IAJAVGQRUGJPPH-UHFFFAOYSA-N	320.437	2.172	70	20	DEID	
CC(C)CC(=O)NCCC(=O)N[C@H]1CCOC2(CCCC2)C1	159990730	ZURFFAFTWJGUQE-AWEZNQCLSA-N	310.438	2.147	70	20	DEID	
O=C(NCC1CCOCC1)Nc1cc(Br)ccn1	218717995	RPEDBNASEOKXSG-UHFFFAOYSA-N	314.183	2.392	70	20	DEID	
CN(C)c1ncccc1NC(=O)c1cccc(S(=O)(=O)F)c1	1336413858	QUTUWFPGIRWVQO-UHFFFAOYSA-N	323.349	2.058	70	20	DEID	
N[C@H]1CCC[C@@H](NC(=O)c2ccn(-c3ccc(F)cc3)n2)C1	161080629	LGMSLMDCAGHBEC-QWHCGFSZSA-N	302.353	2.011	70	20	DEID	
C[C@@H](NCc1ccccc1CN1CCC(O)CC1)[C@H]1CCOC1	161160868	SURFSSBKOJOUTP-QAPCUYQASA-N	318.461	2.158	70	20	DEID	
CCOc1ccccc1OCCCC(=O)N1CCC[C@@H]1CNC	161370729	JDIPYSDBCGFCKW-OAHLLOKOSA-N	320.433	2.455	70	20	DEID	
Cc1nc2ncnn2c(C)c1CCC(=O)N1[C@H](C)CC[C@H]1C	161424083	SUDHQLVNDMYQEI-GHMZBOCLSA-N	301.394	2.073	70	20	DEID	
Cc1nc(-c2ccc(CNC(=O)N[C@H](C)CCO)o2)cs1	161433974	FWUIRPVILMGFSV-SECBINFHSA-N	309.391	2.282	70	20	DEID	
CCN(CC)CCC[C@H](C)NC(=O)c1cccc2[nH]c(=O)oc12	160080342	SZAHOHXPLIVMBB-LBPRGKRZSA-N	319.405	2.361	70	20	DEID	
CCOCCCN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1	160138487	ALZPDWUDWCOJHO-UHFFFAOYSA-N	315.417	2.352	70	20	DEID	
Cc1conc1NC(=O)C(=O)NC[C@H](c1ccccc1)C(C)C	160258221	MQIRRXQALPULJK-AWEZNQCLSA-N	315.373	2.478	70	20	DEID	
C[C@@H](NC(=O)CCC(=O)NC1CCCC1)c1cccc(O)c1	160263725	QJGYVBRGQWUECE-GFCCVEGCSA-N	304.390	2.408	70	20	DEID	
COc1ccc(CNC(=O)NC2(C)CCC2)cc1NC(C)=O	160371491	HLMODESIFAJNDC-UHFFFAOYSA-N	305.378	2.395	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)c1ccn(-c2ccccc2F)n1	160435880	YIZGLCQFIDGAEB-LLVKDONJSA-N	319.336	2.083	70	20	DEID	
CN(C[C@@H]1CCCC[C@@H]1O)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1	160482766	YLBCFLRLFIZITM-FZKCQIBNSA-N	310.438	2.137	70	20	DEID	
CC1(C)C[C@@H](Nc2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)CCO1	160657384	MBVXKWUAWNAVJD-JTQLQIEISA-N	319.409	2.244	70	20	DEID	
CC[C@H]1CCN(C(=O)N[C@H]2CCN(C3CCCCC3)C2=O)C1	159438803	NZFOVTGPBXCCSB-ZFWWWQNUSA-N	307.438	2.362	70	20	DEID	
CCOC(=O)N1CCC(NC(=O)N2CC[C@@H](C)[C@@H](C)C2)CC1	159635294	NEEMQSGAIFQACM-OLZOCXBDSA-N	311.426	2.295	70	20	DEID	
Cc1cccc(C(=O)N2CCC(N3CCCCC3=O)CC2)c1O	159457687	UIEQKOCZYAVAQY-UHFFFAOYSA-N	316.401	2.318	70	20	DEID	
CCN(CCC(=O)c1ccc(C)cc1)[C@@H](C)CS(C)(=O)=O	159657368	AJEJUUFJNQTRBV-AWEZNQCLSA-N	311.447	2.323	70	20	DEID	
CCn1nnnc1-c1cccc(N[C@@H](C)CCn2cccn2)c1	159466317	WIFPOUUJKFAOCC-ZDUSSCGKSA-N	311.393	2.447	70	20	DEID	
C[C@H]1[C@@H](C)OCCN1C(=O)NCc1cccc(CN(C)C)c1	159901186	ZMBHFJICVKNSLW-UONOGXRCSA-N	305.422	2.067	70	20	DEID	
O=S(=O)(NC[C@H](O)C1CCCCC1)c1ccc2c(c1)CCC2	159531019	RAEZEVWXXINMON-KRWDZBQOSA-N	323.458	2.395	70	20	DEID	
O=C(CNC(=O)c1cc(F)cc(F)c1)NCC1(C2CC2)CC1	159736850	FJECMUVKHBNETM-UHFFFAOYSA-N	308.328	2.001	70	20	DEID	
CCN1CCC(NC(=O)NCc2cc(C)cc(OC)c2)CC1	159573596	OYTNGXIAVRPASH-UHFFFAOYSA-N	305.422	2.287	70	20	DEID	
c1cn(-c2ccc(CN[C@H]3[C@@H]4CCO[C@@H]4C34CCC4)cn2)cn1	159577708	LJVNPDJSZOVYRI-XIRDDKMYSA-N	310.401	2.315	70	20	DEID	
C[C@H]1C[C@@H](C(=O)Nc2cccc(S(=O)(=O)F)c2)CCO1	460093597	OIOYFUOSRQIHIQ-UWVGGRQHSA-N	301.339	2.098	70	20	DEID	
O=[N+]([O-])c1ccc(N[C@@H]2CCSC2)c(CS(=O)(=O)F)c1	882029748	HZENATHBVCBKSY-SECBINFHSA-N	320.367	2.312	70	20	DEID	
CC(C)[C@@H]1CCCCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1	1340081916	IYVVGQFQSUJLDQ-LBPRGKRZSA-N	302.371	2.324	70	20	DEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@H](c2ccccc2)C1	1527564593	CJPWJXWAMNWADO-LBPRGKRZSA-N	322.361	2.303	70	20	DEID	
CC[C@@H](C)c1ccccc1OCC(=O)NCC[C@@H](O)COC	161038500	VZPTWRUAYKQGRP-ZIAGYGMSSA-N	309.406	2.093	70	20	DEID	
CCN(Cc1cnn(C)c1)[C@H](C)C(=O)N1CCc2ccccc21	161072110	CZVMYKKTTQTPQJ-CQSZACIVSA-N	312.417	2.220	70	20	DEID	
CC(C)Cc1noc(Cn2ccc(C(=O)OC(C)C)cc2=O)n1	161074041	RKWLDJKWFOOSFZ-UHFFFAOYSA-N	319.361	2.043	70	20	DEID	
CNC(=O)[C@H]1CCCCN1C(=O)[C@H]1C[C@@H]1c1sccc1C	161306802	STZKRHIMEXMSTL-RWMBFGLXSA-N	306.431	2.287	70	20	DEID	
CC(C)[C@@H](CNC(=O)[C@H](C)c1cccs1)N1CCN(C)CC1	160054732	POSXZRSBNUCNIR-HUUCEWRRSA-N	323.506	2.240	70	20	DEID	
COC[C@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2C)C1CC1	160103778	XDYDCMWKVDPBSH-AWEZNQCLSA-N	317.389	2.142	70	20	DEID	
COC(C)(C)CNC(=O)NCc1nnc(-c2ccccc2)s1	160158010	XCRAJSILWSWZRQ-UHFFFAOYSA-N	320.418	2.429	70	20	DEID	
CCN(C)C(=O)c1cccc(C(=O)NCCCC(C)(C)CO)c1	160346697	SRCBXDHEPNHPEX-UHFFFAOYSA-N	320.433	2.307	70	20	DEID	
CCc1n[nH]c(=O)c(CNC(=O)N2C[C@H](C)C[C@@H](C)C2)c1CC	160350997	IKPOXRFDOBWMON-VXGBXAGGSA-N	320.437	2.082	70	20	DEID	
COCc1nc(C(=O)NC[C@H]2CCCN2CC(C)C)cs1	160383145	MWONYBXGDNIGIP-GFCCVEGCSA-N	311.451	2.140	70	20	DEID	
CC(C)CCn1ccc(NC(=O)N(C)CCN2CCCC2)n1	160473928	KADKZQOMJDDFMS-UHFFFAOYSA-N	307.442	2.489	70	20	DEID	
CCOC(=O)C1(C(=O)NCc2ccccc2OCC)CCC1	160570977	SQBMMFCVPJKODR-UHFFFAOYSA-N	305.374	2.435	70	20	DEID	
CC(C)[C@@H](CCO)NC(=O)c1cccc(OC[C@@H]2CCCO2)c1	160655077	LCOILLWMNNYISW-DLBZAZTESA-N	321.417	2.381	70	20	DEID	
C[C@@H](CC(=O)NCCCOC1CCOCC1)c1ccncc1	160806757	PQTHPYXZLLNUNI-AWEZNQCLSA-N	306.406	2.277	70	20	DEID	
CC(C)C[C@H](CO)NC(=O)[C@@H](C)CN(C)C(=O)OC(C)(C)C	160893675	WVDZIRWCTMOGKG-QWHCGFSZSA-N	316.442	2.013	70	20	DEID	
CCN1CCCN(C(=O)N[C@@H](CCN(C)C)C(C)(C)C)CC1	159871651	SBSSCAPAHZNOQK-HNNXBMFYSA-N	312.502	2.090	70	20	DEID	
O=C(N[C@H]1CCOC2(CCCC2)C1)c1ccc2[nH]nnc2c1	159701243	BCLWSBDQMOBCBH-LBPRGKRZSA-N	300.362	2.180	70	20	DEID	
CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@H]1CCN(C(C)=O)C1	159562833	ODXHPWIAZKRTJS-GXTWGEPZSA-N	324.808	2.234	70	20	DEID	
COc1ccc2oc(C(=O)N(CC(N)=O)CC(C)C)c(C)c2c1	159772020	NTWPIHBUTDHJJG-UHFFFAOYSA-N	318.373	2.333	70	20	DEID	
COCCC1(CNC(=O)N(C)[C@@H]2CCCc3c2cnn3C)CC1	159774547	HVQFEJQPSSQWBX-CQSZACIVSA-N	320.437	2.256	70	20	DEID	
O=C(NCC[C@H]1CCC(F)(F)C1)c1cc(S(=O)(=O)F)c[nH]1	1121169619	WQEURTGLQASLNC-MRVPVSSYSA-N	324.324	2.228	70	20	DEID	
CCc1cc(NCC(C)(C)C(=O)NC)nc(-c2ccncc2)n1	161089532	IEZIQMKAGLDUME-UHFFFAOYSA-N	313.405	2.285	70	20	DEID	
Cc1cc(C)cc(NC(=O)C(=O)N[C@@H](C)C2CCOCC2)c1	161168139	RSDDVVQBWLPWJM-ZDUSSCGKSA-N	304.390	2.173	70	20	DEID	
CC(C)(C)S(=O)(=O)CC(=O)NCCC1Cc2ccccc2C1	161413895	YKDPLMZHANBPHL-UHFFFAOYSA-N	323.458	2.121	70	20	DEID	
COC1(C(=O)N2CCSC3(CCCCC3)C2)CCNCC1	161452294	WPDFLGDHAOASDO-UHFFFAOYSA-N	312.479	2.033	70	20	DEID	
Cc1cccc(C(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)c1Cl	160385580	PAWQIMXJQXVBBT-DGCLKSJQSA-N	306.793	2.389	70	20	DEID	
CN(Cc1cccn1C)C(=O)[C@@H]1CCCN1C(=O)C1CCCC1	160398339	YOXLETTUZLKHRI-INIZCTEOSA-N	317.433	2.165	70	20	DEID	
COc1ccc(F)cc1[C@H](C)NC(=O)N1CCC[C@](C)(O)C1	160468991	XOITVGDANODGTO-ZBEGNZNMSA-N	310.369	2.452	70	20	DEID	
CC1=C(C(=O)Nc2ccc(N3CCOCC3)nc2C)CCCO1	160510670	MFWLABDXZPZBSQ-UHFFFAOYSA-N	317.389	2.250	70	20	DEID	
C[C@H]1CCN(C(=O)NCc2ccc(-n3cncn3)cc2)C[C@H]1C	160656115	WXKYDRYGJZNTQZ-UONOGXRCSA-N	313.405	2.455	70	20	DEID	
CCCN(CCC)C(=O)Cc1cccc(OCC(=O)NC)c1	160768631	KRWSKNLOUXMQMR-UHFFFAOYSA-N	306.406	2.003	70	20	DEID	
CCCn1c(C)nnc1CN1CCC(OC[C@@H]2CCCO2)CC1	160905314	RVMIWXLBNQSYHC-INIZCTEOSA-N	322.453	2.157	70	20	DEID	
O=C(NCc1ccc(O)c(Br)c1)[C@H]1CCCCO1	160978311	RTQXLFVQVYBVNJ-GFCCVEGCSA-N	314.179	2.340	70	20	DEID	
Cc1cnc2c(S(=O)(=O)NC3(C)CCOCC3)cccc2c1	160999727	IAQBYXCJTFYPAC-UHFFFAOYSA-N	320.414	2.391	70	20	DEID	
C[C@@H](O)CN1CCN(Cc2noc(C3CCCCC3)n2)C[C@H]1C	159909898	OFJIYNOLNYMWEB-ZIAGYGMSSA-N	322.453	2.004	70	20	DEID	
COc1ccsc1S(=O)(=O)Nc1ccnn1C(C)C	159514373	ZTJFDYLNVFNENM-UHFFFAOYSA-N	301.393	2.335	70	20	DEID	
COc1ccc(N(C)C(=O)COC[C@H]2CCOC2)cc1Cl	159913255	BISNVFLHDFAUDU-NSHDSACASA-N	313.781	2.365	70	20	DEID	
Cc1ccc(F)cc1S(=O)(=O)NC[C@H](O)C1CCCCC1	159552213	SLUDOYBPRKJWOY-AWEZNQCLSA-N	315.410	2.354	70	20	DEID	
O=C(N[C@@H]1CCC[C@@H]2OCC[C@@H]21)c1cc2ccccc2c(=O)[nH]1	159755715	DWRDKRRDONABRH-FMKPAKJESA-N	312.369	2.216	70	20	DEID	
Nc1cc(C(=O)OCc2nnc3n2CCCC3)ccc1Cl	217322758	GUHSABHQLQVKGW-UHFFFAOYSA-N	306.753	2.207	70	20	DEID	
CCOCC1(C(=O)Nc2ccc(S(=O)(=O)F)c(F)c2)CC1	857672964	ODNCOJNTAFKPHN-UHFFFAOYSA-N	319.329	2.239	70	20	DEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC[C@@H]2CCCC[C@@H]21	1338819910	QLGFEWKGZBKLAP-GWCFXTLKSA-N	314.382	2.468	70	20	DEID	
O=C(Nc1cc2n(n1)CCCC2)c1cccc(S(=O)(=O)F)c1	1340624818	LNFSPRPNSQPXQL-UHFFFAOYSA-N	323.349	2.130	70	20	DEID	
CC1CC(CNC(=O)CCc2ccc(S(=O)(=O)F)cc2)C1	1349751212	OWGQYSURKSLYIZ-UHFFFAOYSA-N	313.394	2.440	70	20	DEID	
O=C(NC[C@@H]1C[C@H]2C=C[C@H]1CC2)c1cc(S(=O)(=O)F)c[nH]1	1517956680	OTQVFGRYAXQYAP-DCAQKATOSA-N	312.366	2.005	70	20	DEID	
COCCC1(CNC(=O)N(C)CC[C@@H]2CCCCN2C)CC1	161089796	UYTKHFPQYFNZEL-HNNXBMFYSA-N	311.470	2.319	70	20	DEID	
COC(=O)Cc1cccc(NC(=O)c2ccnn2C(C)C)c1	161275158	OLQSXKWGTYCUOY-UHFFFAOYSA-N	301.346	2.432	70	20	DEID	
C[C@H]1CCCC[C@@H]1NC(=O)CSc1ncnc2[nH]cnc12	161351132	AGKFRHAOVMOVEV-UWVGGRQHSA-N	305.407	2.140	70	20	DEID	
COc1cccc2c1CC[C@@H]2NC(=O)c1c(C)nn2cccnc12	160046619	QEZAVMZTMSMCMK-AWEZNQCLSA-N	322.368	2.464	70	20	DEID	
CCn1cc(CNc2ccc(OC3CCN(C)CC3)nc2)cn1	160160971	ASPONDJIGIAPGT-UHFFFAOYSA-N	315.421	2.383	70	20	DEID	
CC[C@@H](C)[C@@H](O)CNC(=O)c1c(-c2ccncc2)noc1C	160439092	WGFDEARZKIIYCA-MFKMUULPSA-N	303.362	2.182	70	20	DEID	
Cc1ccc2oc(C(=O)NCC3CCN(CCO)CC3)cc2c1	160585171	IGSHWSGTPPFGKY-UHFFFAOYSA-N	316.401	2.175	70	20	DEID	
CCCCn1ncc(C(=O)N[C@](C)(CCC)C(=O)OC)c1C	160919563	CDJRXQPHAGGCIV-MRXNPFEDSA-N	309.410	2.453	70	20	DEID	
CC[C@H](C)c1ccccc1OCC(=O)N[C@H]1CCN(C(C)=O)C1	159702468	YDPBJBLJXBYWQD-ZFWWWQNUSA-N	318.417	2.316	70	20	DEID	
CC1(NS(=O)(=O)c2ccc(Cl)cc2F)CCOCC1	160998916	ZQEPAAPZKPATHI-UHFFFAOYSA-N	307.774	2.327	70	20	DEID	
Cc1cccc([C@@H](NC(=O)[C@H]2CCC(=O)NC2)c2ccccn2)c1	160012116	SEIKDPSQRGZBIN-MAUKXSAKSA-N	323.396	2.122	70	20	DEID	
O=C([C@H]1COc2ccc(Cl)cc2C1)N1C[C@@H]2CCC[C@H](C1)N2	160082389	WXCRZWCIVZPOMT-YUELXQCFSA-N	320.820	2.244	70	20	DEID	
CCOC(=O)C1(C(=O)N(C)Cc2ncc(CC)s2)CCC1	160258393	NHSTVFGFAGMBAA-UHFFFAOYSA-N	310.419	2.397	70	20	DEID	
CC1(C)CCC(CC(=O)N[C@H](CC(N)=O)C2CCOCC2)CC1	160287694	SEISBDUASIHITE-OAHLLOKOSA-N	324.465	2.380	70	20	DEID	
C[C@@H](Sc1ccccc1)C(=O)NC[C@H](O)CN1CCCCC1	160531059	UAGBGGFNIGEAGM-CABCVRRESA-N	322.474	2.130	70	20	DEID	
CCOC(=O)NCCCC(=O)NCc1ccccc1OCC	160568770	ZAMHISCUVPQBLX-UHFFFAOYSA-N	308.378	2.228	70	20	DEID	
CC[C@@H](C)OCC(=O)Nc1cccc(CN2CCOCC2)c1	160927587	BWGOUUKJAYLJEU-CQSZACIVSA-N	306.406	2.272	70	20	DEID	
Cc1csc(N(C)C(=O)c2csc(S(C)(=O)=O)c2)n1	159804417	MYKXENHZXNYSAG-UHFFFAOYSA-N	316.429	2.193	70	20	DEID	
CCCCn1ncc(NC(=O)NCc2ccc(C(N)=O)o2)c1C	159654502	LJLBUBFOZXZIPP-UHFFFAOYSA-N	319.365	2.005	70	20	DEID	
CC(C)N(CCS(C)(=O)=O)C(=O)Nc1cccc(F)c1	159781272	CCVKNCBZRLDZIS-UHFFFAOYSA-N	302.371	2.113	70	20	DEID	
CC(C)n1ccnc1CN(CCC(N)=O)Cc1ccccc1	160726918	YFCYLZJGFPHSOW-UHFFFAOYSA-N	300.406	2.342	70	20	DEID	
Nc1ccc(C(=O)OCc2nnc3n2CCCC3)cc1Cl	217322850	NRUWQDSSPZEFCM-UHFFFAOYSA-N	306.753	2.207	70	20	DEID	
CCCn1nccc1C(=O)Nc1ccc(S(=O)(=O)F)cc1	865205064	RPKWITKTBVHLBS-UHFFFAOYSA-N	311.338	2.204	70	20	DEID	
O=S(=O)(F)c1ccc(N[C@H](C2CC2)[C@@H]2CCCCO2)nc1	1550628503	ITTAMLTWMGNVIF-GXTWGEPZSA-N	314.382	2.499	70	20	DEID	
O=C(NC[C@@H](O)CN1CCCCC1)c1cc2cc(F)ccc2o1	160058911	WUBVBYJRGDEASY-CQSZACIVSA-N	320.364	2.149	70	20	DEID	
O=C1Cc2cc(NC(=O)[C@H]3OCCc4ccccc43)ccc2N1	160101524	BTTIGRQXDUAWML-KRWDZBQOSA-N	308.337	2.434	70	20	DEID	
CC(C)Cn1cc(NC(=O)C(=O)Nc2ccc(F)cc2)cn1	160437602	YMKSYWOCGAGSLQ-UHFFFAOYSA-N	304.325	2.255	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)CCc1nc2c(C)cccc2[nH]1	160559650	WVFQIQCLYVFVJF-LBPRGKRZSA-N	317.389	2.262	70	20	DEID	
CC(C)Oc1ccccc1CNC(=O)c1cccc(=O)n1C	160619585	IXJGPBUEFXFBJH-UHFFFAOYSA-N	300.358	2.103	70	20	DEID	
CC(C)NC(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O	160660585	PFHCFRWBNULOIL-GFCCVEGCSA-N	313.760	2.292	70	20	DEID	
CN[C@H]1CCN(C(=O)[C@@H](C)Oc2ccc(F)cc2Cl)C1	160813559	QBICGCMEIXBWAU-KOLCDFICSA-N	300.761	2.067	70	20	DEID	
CC[C@@H](Oc1ccccc1Cl)C(=O)NCC[C@H](O)COC	160972141	KXICOFMZBQFEHT-WCQYABFASA-N	315.797	2.011	70	20	DEID	
COc1ccsc1S(=O)(=O)N(C)Cc1ccc(O)cc1	159608119	MZYODFBNLRSNFM-UHFFFAOYSA-N	313.400	2.283	70	20	DEID	
COc1cccnc1N(C)S(=O)(=O)c1ccc(F)c(F)c1	159570156	ADQKVWPFJMZBRU-UHFFFAOYSA-N	314.313	2.194	70	20	DEID	
CN(C)CCCNC(=O)NCc1ccccc1Br	217314303	WJJLYLWVZQYYSX-UHFFFAOYSA-N	314.227	2.200	70	20	DEID	
COC/C(C)=C/C(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	857672682	GVIARJMPKSNDQV-VMPITWQZSA-N	305.302	2.015	70	20	DEID	
CC(C)CONc1ccc([N+](=O)[O-])cc1CS(=O)(=O)F	882145339	PZSYISDOZJXVOW-UHFFFAOYSA-N	306.315	2.394	70	20	DEID	
O=C(N[C@@H]1CC[C@H]2CCC[C@@H]2C1)c1cc(S(=O)(=O)F)c[nH]1	1348696870	VKRBMGMDWKOAJU-GMTAPVOTSA-N	314.382	2.372	70	20	DEID	
COc1cc(OC)c(NC(=O)N(C)OC)cc1Br	161116780	QOEXLXNPDGLLIZ-UHFFFAOYSA-N	319.155	2.491	70	20	DEID	
CCN(Cc1cnn(C)c1)[C@H](C)C(=O)NCc1ccccc1F	161118423	ZNYKFVXMIHEYMT-CYBMUJFWSA-N	318.396	2.086	70	20	DEID	
COC(=O)[C@@H](NCc1noc(-c2ccsc2)n1)C(C)(C)C	161120689	IGKGRSZFRAULQE-LLVKDONJSA-N	309.391	2.475	70	20	DEID	
Cc1cc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)ncn1	161304606	ISCUXVOKDRUKHR-AWEZNQCLSA-N	316.430	2.413	70	20	DEID	
COC[C@H](O)CCNC(=O)CCc1ccc(C(C)(C)C)cc1	161436912	PNSNACFVNMGFPU-MRXNPFEDSA-N	307.434	2.430	70	20	DEID	
O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)[C@@H]2CCCNC2)C1	161452131	CGCSLDPKYFIRKO-HUUCEWRRSA-N	318.392	2.247	70	20	DEID	
CC[C@@H](c1ccccc1)S(=O)(=O)CCCCS(C)(=O)=O	160326326	XJHMYJVGVPMCOL-AWEZNQCLSA-N	318.460	2.377	70	20	DEID	
O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)C[C@@H]2CCCN2)C1	160392429	YTBCGLAFZWBHHN-HOCLYGCPSA-N	318.392	2.389	70	20	DEID	
CCc1ccc(CNC(=O)N[C@H]2CCc3[nH]ncc3C2)s1	160488734	OQYNHCKSASGDBW-NSHDSACASA-N	304.419	2.390	70	20	DEID	
CCOC(=O)[C@@]1(CCn2cnc(C(C)C)cc2=O)CCCC1=O	160777268	DBZIPRKCYBNJFV-QGZVFWFLSA-N	320.389	2.059	70	20	DEID	
CC(=O)N(Cc1ccc(NC(=O)[C@@H]2CCCNC2)cc1)C(C)C	160955726	CTTWXDBSMKCXGH-MRXNPFEDSA-N	317.433	2.382	70	20	DEID	
C[C@H](CC(=O)N(CCN(C)C)C[C@@H]1CCCO1)c1ccncc1	159617300	SEUMOIYMFONMNT-WBVHZDCISA-N	319.449	2.144	70	20	DEID	
Cc1onc(-c2ccccn2)c1C(=O)NCC[C@@H](O)C(C)C	159473183	BHBCFRGTAWZQHN-CYBMUJFWSA-N	303.362	2.182	70	20	DEID	
CCn1cc(CNc2ccc(NS(=O)(=O)CC)cc2)cn1	159713796	QKQTYQJASPERJX-UHFFFAOYSA-N	308.407	2.277	70	20	DEID	
COC(=O)[C@@H](NCc1ccn(C)c1)c1cc(OC)cc(OC)c1	159754953	BPCHZTUUCLTRCG-INIZCTEOSA-N	318.373	2.046	70	20	DEID	
CN1C[C@H](NC(=O)NC2(c3ccccc3)CCCC2)CCC1=O	159954207	MPQYNQZENMXMKZ-OAHLLOKOSA-N	315.417	2.376	70	20	DEID	
CCCN(CCN(C)C)C(=O)Cc1cc(F)c(F)cc1F	159395239	UWWLYYCCUZASHJ-UHFFFAOYSA-N	302.340	2.447	70	20	DEID	
CCOC(=O)CCc1ccc(NC(=O)N[C@@H](C)COC)cc1	159595176	GQFHHWVEMOALCR-LBPRGKRZSA-N	308.378	2.339	70	20	DEID	
Cc1cccc2c1CC[C@H]2NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1121031724	CIBDBQPSJWTJFH-CYBMUJFWSA-N	322.361	2.399	70	20	DEID	
O=C(c1cc(S(=O)(=O)F)ccc1Cl)N1CC[C@H](CF)C1	1339101936	FNJKUOALGBFENX-MRVPVSSYSA-N	323.748	2.430	70	20	DEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCc2cccc(F)c21	1262732681	QNYBVKOSWWZNFB-UHFFFAOYSA-N	312.297	2.015	70	20	DEID	
Cc1conc1NC(=O)C(=O)N[C@@H](Cc1ccccc1)C1CC1	161308460	XHFSSACWDCLTRT-AWEZNQCLSA-N	313.357	2.059	70	20	DEID	
CCN(CC)CCC[C@@H](C)NC(=O)c1cccc2[nH]c(=O)oc12	160080218	SZAHOHXPLIVMBB-GFCCVEGCSA-N	319.405	2.361	70	20	DEID	
CO[C@@H](C)c1noc(CCC(=O)Nc2ccnn2C(C)(C)C)n1	160196788	YSYRYIQPONOYGJ-JTQLQIEISA-N	321.381	2.300	70	20	DEID	
CCN(CC(=O)NCc1ccc(F)cc1)Cc1cn(C)nc1C	160230321	JLQIYIXGAYLCQO-UHFFFAOYSA-N	318.396	2.006	70	20	DEID	
NC(=O)[C@@H]1CCCN1Cc1ccccc1OCc1cccnc1	160353676	WLOCFLMZDNWXCS-INIZCTEOSA-N	311.385	2.110	70	20	DEID	
CSc1ccccc1C(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1	160565880	TXEHKRMFFXQNNW-YPMHNXCESA-N	304.415	2.149	70	20	DEID	
CCOCCCCNC(=O)Nc1cc(C(=O)OC)cs1	160759528	XFWBWCWAEFKZMV-UHFFFAOYSA-N	300.380	2.473	70	20	DEID	
CSc1ccccc1NC(=O)CN(C)C(=O)[C@H]1CCCCO1	160830901	HZBLEKAUNVCXLP-CYBMUJFWSA-N	322.430	2.375	70	20	DEID	
O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)N1CCC[C@H]1CO	160894294	RCIIPSXXBVVXOQ-OWCLPIDISA-N	304.390	2.073	70	20	DEID	
CC[C@H]1COCCN1C(=O)NC[C@H]1CCCCN1CC(C)C	160931463	QHSWOFOWHFEDKM-JKSUJKDBSA-N	311.470	2.317	70	20	DEID	
NC(=O)c1csc(C(=O)N[C@H]2CCOC3(CCCC3)C2)c1	159613461	JGAFCWDVLRXWFB-NSHDSACASA-N	308.403	2.069	70	20	DEID	
Cc1ccc(C[C@H](C)NS(=O)(=O)c2cn(C)c(C)n2)s1	159633113	XYNBRHSWHFCYIA-VIFPVBQESA-N	313.448	2.008	70	20	DEID	
Cc1noc(CNC(=O)Nc2cc(F)ccc2-n2cccn2)n1	159849848	UBAKZMYJJFZTCQ-UHFFFAOYSA-N	316.296	2.025	70	20	DEID	
CCc1cccc(CC(=O)N2CCN(CCOC(C)C)CC2)c1	159689649	BKMYHFVDSWMOKV-UHFFFAOYSA-N	318.461	2.361	70	20	DEID	
Cc1ccc(NC(=O)C(=O)NC[C@@H]2CSCCS2)cc1C	159705211	VBTSMGBZPSLFNI-CYBMUJFWSA-N	324.471	2.207	70	20	DEID	
CCN1CCCN(C(=O)NC[C@H](C)Oc2ccc(C)cc2)CC1	159919785	GZCYZKUYSULVFX-INIZCTEOSA-N	319.449	2.500	70	20	DEID	
CN([C@@H](CN)C1CC1)S(=O)(=O)c1ccc(C(C)(C)C)cc1	159964687	QXPPMZKMAUAWME-HNNXBMFYSA-N	310.463	2.342	70	20	DEID	
Cn1ccnc1CSc1nnc(COc2ccccc2)n1C	159394473	ULWFLHPOGZSOMW-UHFFFAOYSA-N	315.402	2.420	70	20	DEID	
CSC[C@@](C)(O)CNC(=O)c1ccc(-n2cccc2)cc1	217664144	DNAMRIYUJUDEPT-INIZCTEOSA-N	304.415	2.321	70	20	DEID	
C=CCOCCCC(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	857674871	UAEYIVCRHSIPBH-UHFFFAOYSA-N	319.329	2.405	70	20	DEID	
CCC[C@@H](C#N)NC(=O)CCc1ccc(S(=O)(=O)F)cc1	1121175093	NOJJBMIPTDOTOO-LBPRGKRZSA-N	312.366	2.086	70	20	DEID	
Cc1ccc2c(c1)CC[C@H]2NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1336406187	KDYGSQJGZITJOV-CYBMUJFWSA-N	322.361	2.399	70	20	DEID	
CSCC[C@@H](N)C(=O)NC[C@H]1CCCO[C@H]1C(C)(C)C	161178869	MLXVZQRAVRIYEW-JHJVBQTASA-N	302.484	2.024	70	20	DEID	
Cc1noc(CCC(=O)Nc2ccc3nc(N(C)C)oc3c2)n1	161234154	XSUZGHYUIDWFCV-UHFFFAOYSA-N	315.333	2.157	70	20	DEID	
CCCC(=O)N1CCC[C@@H](C(=O)Nc2ccc(OC)c(N)c2)C1	161277187	CLJAYIAVBRBLPI-GFCCVEGCSA-N	319.405	2.255	70	20	DEID	
O=C(Cn1nc(C2CC2)nc1C1CC1)NCc1ccccc1F	161494807	BBHTTZPBFBDHDI-UHFFFAOYSA-N	314.364	2.488	70	20	DEID	
COc1ncccc1N(C)S(=O)(=O)c1ccc2c(c1)CCC2	160028844	ZDWGRZYNGIFLJQ-UHFFFAOYSA-N	318.398	2.404	70	20	DEID	
COc1ccc(-c2nc(C(=O)N3CCC[C@H]3CN)cs2)cc1	160166366	FWNUDFDSIJBWRX-LBPRGKRZSA-N	317.414	2.382	70	20	DEID	
O=C(NCC[C@@H]1CCCCO1)c1cnc(C(F)(F)F)nc1	160188103	ILCPMFVKDWFBNP-JTQLQIEISA-N	303.284	2.184	70	20	DEID	
COC(=O)c1c(C)n(C)c2ccc(OC(=O)[C@@H]3CCCO3)cc12	160196753	QJBSRIPVZBIUKG-AWEZNQCLSA-N	317.341	2.358	70	20	DEID	
O=C(C[C@@H]1CSCCS1)Nc1nnc(-c2ccccn2)[nH]1	160544259	BRKMLJYFPZIVOI-SECBINFHSA-N	321.431	2.044	70	20	DEID	
C[C@@H]1CN(C(=O)Nc2ccn(CC(F)(F)F)n2)CC(C)(C)O1	160571968	LEHVQQAYCOLFQT-SECBINFHSA-N	320.315	2.477	70	20	DEID	
O=S(=O)(Cc1c(F)cccc1F)NCc1nccs1	160713549	AGTKHOOSNKNJGS-UHFFFAOYSA-N	304.343	2.041	70	20	DEID	
CC(C)Oc1cc(CNC(=O)NOCc2cccnc2)ccn1	160875399	WCRDNAAWBYXOMD-UHFFFAOYSA-N	316.361	2.195	70	20	DEID	
CC(=O)N[C@@H](C)C(=O)N[C@H](c1cccc(C)c1)c1ccccn1	159776888	SXTOOOVAYVWRMM-SUMWQHHRSA-N	311.385	2.120	70	20	DEID	
COCCN(CCO)C(=O)CCc1ccc(Cl)cc1Cl	160624655	GDWLMKQSFOKXNN-UHFFFAOYSA-N	320.216	2.393	70	20	DEID	
O=[N+]([O-])c1ccc(N2CCC[C@@H]3C[C@@H]32)c(CS(=O)(=O)F)c1	882349962	CVUQVBCHFJZERB-RNCFNFMXSA-N	314.338	2.383	70	20	DEID	
CSCCN(C)[C@@H](C(N)=O)c1cccc(Br)c1	161376498	BRYQXLFOFZNSDD-LLVKDONJSA-N	317.252	2.270	70	20	DEID	
CC[C@@H](C(=O)NC[C@H]1CCCS1(=O)=O)c1ccc(F)cc1	161200818	OABYIKZTDAWYKY-ZIAGYGMSSA-N	313.394	2.013	70	20	DEID	
CCCN(CCC)CCCNC(=O)[C@@H]1CCn2ccnc2C1	161343243	LZXVEWPTSGZSDY-OAHLLOKOSA-N	306.454	2.074	70	20	DEID	
CCc1ccc([C@H](C)CC(=O)N[C@@H]2CCN(C(N)=O)C2)cc1	160018101	AFOGCGZQPLIMET-IUODEOHRSA-N	303.406	2.012	70	20	DEID	
Cc1ccc(-c2cncc(C(=O)NCC(=O)NC(C)C)c2)cc1	160136941	XKNWXWWIXCEUSW-UHFFFAOYSA-N	311.385	2.311	70	20	DEID	
CCc1n[nH]c(=O)c(CNC(=O)/C=C/c2ccccc2)c1CC	160137702	ZUMPHRRTOAUUGG-ZHACJKMWSA-N	311.385	2.224	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)C[C@H]1OCCc2ccccc21	160167117	SCLZBNOKGUOHOF-IUODEOHRSA-N	305.374	2.148	70	20	DEID	
CCCCn1ncc(NC(=O)N[C@@H](C)CO[C@@H]2CCOC2)c1C	160271834	LSNWHAYPOFIIAF-GXTWGEPZSA-N	324.425	2.307	70	20	DEID	
Cc1nc2n(n1)C[C@H](N[C@H](C)c1ccc(F)cc1N(C)C)CC2	160509933	BPURFPFCWWUGFH-BXUZGUMPSA-N	317.412	2.457	70	20	DEID	
Cc1nc2n(n1)C[C@@H](N[C@H](C)c1ccc(F)cc1N(C)C)CC2	160510038	BPURFPFCWWUGFH-RISCZKNCSA-N	317.412	2.457	70	20	DEID	
Cc1noc(CCC(=O)N[C@@H](C)CC(=O)c2cccs2)n1	160834191	ZZLUYRZZWCNTNU-VIFPVBQESA-N	307.375	2.150	70	20	DEID	
CC[C@H](NS(=O)(=O)C[C@@H]1CCOC1)c1ccc(F)cc1F	159611603	VPFNDYSIZBSFCM-YGRLFVJLSA-N	319.373	2.372	70	20	DEID	
CCN1CCCN(C(=O)N[C@H](C)c2nc(C(C)(C)C)no2)CC1	159930300	CBJSHVPLQJMCGP-GFCCVEGCSA-N	323.441	2.165	70	20	DEID	
COCCn1cc(NC(=O)N2CCc3cccc(F)c3C2)cn1	159594138	RKVXINJTVCPFNR-UHFFFAOYSA-N	318.352	2.259	70	20	DEID	
CCC[C@]1(NC(=O)c2cccc(S(=O)(=O)F)c2)CCOC1	1517974546	GYUXBWKCEXPNQH-AWEZNQCLSA-N	315.366	2.034	70	20	DEID	
CCNc1ccc(Cl)cc1C(=O)NC[C@@]1(OC)CCOC1	161243169	WQEGGUGBZSRXQH-HNNXBMFYSA-N	312.797	2.307	70	20	DEID	
COCc1cc(CNC(=O)[C@@H]2CCn3ccnc3C2)ccc1F	161491328	TVZZYAGOIOVCFP-CYBMUJFWSA-N	317.364	2.047	70	20	DEID	
C[C@H](CC(=O)NC[C@]1(O)CCSC1)c1ccc(F)cc1F	160216299	DNAXINLCHGDWDQ-MEBBXXQBSA-N	315.385	2.443	70	20	DEID	
Cc1ccc(-c2nnc(NC(=O)c3ccc4c(c3)OCO4)[nH]2)o1	160344499	JPNZBCFIVZEYGG-UHFFFAOYSA-N	312.285	2.354	70	20	DEID	
C[C@H](Oc1ccccc1Br)C(=O)N(C)[C@H](C)CO	160477672	WZLQZYYKPIVXTO-ZJUUUORDSA-N	316.195	2.056	70	20	DEID	
COc1cccc2c1OCC(C(=O)N(C)Cc1cccn1C)=C2	160481660	ASPGOVOVGZRFDM-UHFFFAOYSA-N	312.369	2.468	70	20	DEID	
O=C1C[C@@H](CC(=O)N2CCn3cccc3[C@H]2c2ccccc2)CO1	160704496	OEDWHLKTJVAOMV-AUUYWEPGSA-N	324.380	2.373	70	20	DEID	
C[C@@H]1CCC[C@@H](C)N1C(=O)CCCNC(=O)c1cccnc1	160766134	JBBGIUHULQCABK-ZIAGYGMSSA-N	303.406	2.381	70	20	DEID	
O=C(C[C@H]1COC(=O)C1)Nc1nc(-c2ccccc2)ns1	160872118	WHQAFVAZYLODDT-SECBINFHSA-N	303.343	2.097	70	20	DEID	
Cc1nccc(NC(=O)N2CCOC[C@H]2C[C@H](C)O)c1Cl	159424869	IEIOWIKTCYWODX-GXSJLCMTSA-N	313.785	2.047	70	20	DEID	
Cc1ccc(C[C@@H](C)NS(=O)(=O)c2cn(C)c(C)n2)s1	159632967	XYNBRHSWHFCYIA-SECBINFHSA-N	313.448	2.008	70	20	DEID	
CCCC(O)(CCC)CC(=O)N[C@@](C)(C(N)=O)c1ccccc1	159830692	VZRGYTRPCWFOOX-QGZVFWFLSA-N	320.433	2.225	70	20	DEID	
O=C(CN1CC[C@@H]2CCCC[C@@H]21)NCc1ccc2c(c1)OCO2	159670126	CDQOKXRLOFRHJW-GJZGRUSLSA-N	316.401	2.296	70	20	DEID	
COc1ccc(N(C)C(=O)c2c(C)nn(C)c2OC)cc1F	159378279	LJJCJAVNWYGAKC-UHFFFAOYSA-N	307.325	2.161	70	20	DEID	
CC[C@@H](C)c1cc(C(=O)NCc2nnc3n2CCCCC3)on1	159559293	KZBVOGZACZMTRN-LLVKDONJSA-N	317.393	2.436	70	20	DEID	
C[C@@H](OC[C@@H]1CCCO1)C(=O)N(C)CCOCc1ccccc1	159370235	RHVNGOKELDGTNS-WBVHZDCISA-N	321.417	2.246	70	20	DEID	
O=C(c1csc(Br)c1)N1C[C@@H]2CCC[C@H](C1)N2	160670142	NBNGCUWDKXNFAH-AOOOYVTPSA-N	315.236	2.477	70	20	DEID	
N#CCSCCCOC(=O)c1ccc(S(=O)(=O)F)cc1	490535772	DCEFHPZIXXGVRO-UHFFFAOYSA-N	317.363	2.148	70	20	DEID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N1CCC[C@@H](CF)C1	1262805567	VMBAZIXKDGOBAQ-NSHDSACASA-N	317.357	2.475	70	20	DEID	
O=C(Cc1csc(NC(=O)c2ccco2)n1)NC1CC=CC1	161027374	LRXAXLVFVRQEFN-UHFFFAOYSA-N	317.370	2.366	70	20	DEID	
CCNCC1CCN(C(=O)Cn2nc(C)c(Cl)c2C)CC1	161104627	WCHWWTGKRUJTEL-UHFFFAOYSA-N	312.845	2.001	70	20	DEID	
CCC(CC)(CN)C(=O)N(C)CC(=O)Nc1c(C)cccc1C	161166831	AHFQUPYBGIBAST-UHFFFAOYSA-N	319.449	2.465	70	20	DEID	
COC[C@H](O)CCNC(=O)Nc1c(C)cccc1OC(F)F	161169057	CTFQOQZSYNPCJK-SNVBAGLBSA-N	318.320	2.115	70	20	DEID	
COc1cccc(OCCCNC(=O)C2(N)CCCCC2)c1	161362192	ZUSFLQMZOSZXGC-UHFFFAOYSA-N	306.406	2.242	70	20	DEID	
COc1ccc(NC(=O)[C@@H](C)OC[C@H]2CCCCO2)cc1N	161384814	XAQFWVFTYDSBJM-DGCLKSJQSA-N	308.378	2.190	70	20	DEID	
O=C(NCc1ccc(COC2CCOCC2)cc1)[C@H]1CCCO1	161498147	XHKUEWNMHVDQLX-QGZVFWFLSA-N	319.401	2.177	70	20	DEID	
N[C@H]1CCC[C@@H](NC(=O)CCCOCCc2ccccc2)C1	161505526	DBNYOEAIYQXAKB-DLBZAZTESA-N	304.434	2.412	70	20	DEID	
CCN1C[C@H](C(=O)O[C@@H](c2ccccn2)C(F)(F)F)CC1=O	160227654	RPWQRAKNXJAGCQ-SKDRFNHKSA-N	316.279	2.097	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)Cc1cccc(OC(C)C)c1	160413847	UGIPKPNDRBYQGP-CYBMUJFWSA-N	307.390	2.474	70	20	DEID	
CN(C[C@@H]1CCCCO1)C(=O)CCNC(=O)C1CCCCC1	160836519	GEGQISNZVDQSTJ-HNNXBMFYSA-N	310.438	2.101	70	20	DEID	
CN(CC(=O)N[C@@H](c1ccccc1)C1CC1)C[C@H]1CCC[C@@H]1O	159608575	HBZJRQDPNNCMLP-AOIWGVFYSA-N	316.445	2.347	70	20	DEID	
O=C(NCCc1cscn1)N1CCN(c2cccs2)CC1	159618761	XMKXGEAPOBTZSN-UHFFFAOYSA-N	322.459	2.279	70	20	DEID	
C[C@H](NC(=O)NC[C@]1(C)CCCS1)c1nnc2ccccn12	159460454	AKMIPZIGYHSBMD-NHYWBVRUSA-N	319.434	2.375	70	20	DEID	
CC(C)C(=O)NCCNC(=O)[C@@H](C)Cc1ccc(Cl)cc1	159480355	AVNJYLQQHYTFAR-LBPRGKRZSA-N	310.825	2.407	70	20	DEID	
C[C@H](OCC1CC1)C(=O)Nc1cccn(CC(F)(F)F)c1=O	159682730	SWMCEYJXTKHIFE-VIFPVBQESA-N	318.295	2.164	70	20	DEID	
NC(=O)CC1CCN(Cc2c(Cl)nc3ccccn23)CC1	159731863	FQPKBRDACVUGMV-UHFFFAOYSA-N	306.797	2.075	70	20	DEID	
CC(C)C[C@@H]1CCCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1	1351023705	SSBOUKXCGPCKTQ-JTQLQIEISA-N	302.371	2.324	70	20	DEID	
COC[C@H](O)CCNC(=O)C1(c2cccc(OC)c2)CCCC1	161194828	RRWPQXAOCIKGKT-OAHLLOKOSA-N	321.417	2.021	70	20	DEID	
COC(=O)CCNC(=O)CN1c2ccccc2S[C@H](C)[C@@H]1C	161228428	IEQVCUMOYBOMLH-NWDGAFQWSA-N	322.430	2.055	70	20	DEID	
COCCCCC(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1	161308123	MXWDFOXRBBIUFI-ZDUSSCGKSA-N	314.426	2.319	70	20	DEID	
Cc1cc(C)cc(C[C@@H](C)NC(=O)CNC[C@H]2CCCO2)c1	161347365	YSZMMPQZPCBTDP-NVXWUHKLSA-N	304.434	2.119	70	20	DEID	
COc1cccc(CNC(=O)N2CCO[C@@H](C)[C@@H]2C)c1OC	161350457	FHZSEQWSZZPDER-RYUDHWBXSA-N	308.378	2.023	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)c1cccc(NC(=O)C2CC2)c1	160150111	DVIMCIFYAIHHHZ-NSHDSACASA-N	318.373	2.107	70	20	DEID	
CC(C)COCCCNC(=O)c1cccc(-n2ccnn2)c1	160415072	JODHBEMSWAWZLV-UHFFFAOYSA-N	302.378	2.060	70	20	DEID	
Cc1conc1NC(=O)C(=O)N1CCC[C@@H]1c1ccsc1	160438573	VXIOSNWIKUJKJJ-LLVKDONJSA-N	305.359	2.347	70	20	DEID	
CC[C@@H](NC(=O)Nc1cccc(C(=O)NC)c1C)[C@H]1CCCO1	160490884	HSHNLANJKOXUAQ-UKRRQHHQSA-N	319.405	2.434	70	20	DEID	
Cc1nnc(CN2CCC(c3ccnn3C)CC2)n1C1CC1	160525865	PWHUZBHCNGNEST-UHFFFAOYSA-N	300.410	2.035	70	20	DEID	
Cc1nnc(CSc2nnc(-c3ccccc3F)[nH]2)n1C	160934659	GXKMZRYNYYPTBM-UHFFFAOYSA-N	304.354	2.340	70	20	DEID	
Cc1c(CNC(=O)NCC2(c3ccc(F)cc3)CC2)cnn1C	159870631	YUDWZQYZKYNZGN-UHFFFAOYSA-N	316.380	2.399	70	20	DEID	
O=C(NCCc1ccccc1)Nc1ccnn1C[C@H]1CCOC1	159484450	MSDNKZHIPTXYRE-OAHLLOKOSA-N	314.389	2.284	70	20	DEID	
COc1cccnc1N(C)S(=O)(=O)Cc1cccc(C)c1	159551100	MLMQJSYDRQUJDF-UHFFFAOYSA-N	306.387	2.365	70	20	DEID	
CCc1n[nH]c(=O)c(CNC(=O)N[C@H]2CCC[C@@H]2CC)c1CC	159776544	VODVROWIFWFSIS-NHYWBVRUSA-N	320.437	2.273	70	20	DEID	
O=C(CSc1ccc(O)cc1)N[C@H]1c2ccccc2C[C@@H]1O	159791034	XYIJCXLCGGHSCQ-RDJZCZTQSA-N	315.394	2.259	70	20	DEID	
CCOC(=O)[C@@H]1CCCN(c2nnc(C(F)(F)F)s2)C1	160418502	FXACRDBNOFZNAC-SSDOTTSWSA-N	309.313	2.336	70	20	DEID	
COC(=O)c1csc(NC(=O)NC[C@H]2CCC[C@H](O)C2)c1	161022296	PUYSEYNIJMMPPA-ONGXEEELSA-N	312.391	2.207	70	20	DEID	
Cc1ccc(NC(=O)N2CCNC(=O)[C@H]2c2ccccc2)cn1	161354199	DSWJWXMXTGAICX-OAHLLOKOSA-N	310.357	2.095	70	20	DEID	
COC[C@H](O)CCNC(=O)c1cccc(OCC=C(C)C)c1	161412694	MNKVYLYYSRQZLR-OAHLLOKOSA-N	307.390	2.159	70	20	DEID	
CCOc1cc(NC(=O)[C@H]2CCn3ccnc3C2)ccc1OC	160098588	NIFXLWRQDCULRA-LBPRGKRZSA-N	315.373	2.492	70	20	DEID	
C[C@@H](NC(=O)c1cncc(-c2ccc(Cl)cc2)c1)C(N)=O	160259144	XVTAQKCZOKTINL-SECBINFHSA-N	303.749	2.006	70	20	DEID	
Cc1ccc(-c2nnc(NC(=O)CCCC(=O)NC(C)C)[nH]2)o1	160299431	BGYQGISFDSANSN-UHFFFAOYSA-N	319.365	2.007	70	20	DEID	
CCC(CC)CNC(=O)NC[C@@H](O)COc1cccc(C)c1	160545869	HPNGQRYAYAKNKV-OAHLLOKOSA-N	308.422	2.470	70	20	DEID	
CS(=O)(=O)Cc1ccc(NC(=O)[C@H]2CCCS2)cc1F	160608261	FLVQVYKQZIWFDZ-GFCCVEGCSA-N	317.407	2.204	70	20	DEID	
O=C(N[C@H]1CCN(CC2CC2)C1)N1CCCC[C@@H]1c1ncc[nH]1	160650214	SODJZQUEMYJXFY-LSDHHAIUSA-N	317.437	2.131	70	20	DEID	
CN1CCC(NC(=O)N2CCC[C@@H](Nc3ccccc3)C2)CC1	160714076	WCLUZJXOOKMCHP-QGZVFWFLSA-N	316.449	2.367	70	20	DEID	
CC(C)Cn1ncc2cc(C(=O)N[C@@H]3CCC[C@H](N)C3)cnc21	160764369	JBFMCFYITGQMAW-LSDHHAIUSA-N	315.421	2.087	70	20	DEID	
O=C(NC[C@@H](c1ccco1)N1CCCCC1)[C@H]1CCCCO1	159871999	DDSIPEBOLCHYHX-GOEBONIOSA-N	306.406	2.492	70	20	DEID	
COc1cccc([C@H](C)CC(=O)N[C@@H](CO)CCSC)c1	159900174	RPCPCKIVCJEOLG-TZMCWYRMSA-N	311.447	2.419	70	20	DEID	
COC(=O)[C@@H]1CCCN(C(=O)NC[C@H]2CCc3ccccc32)C1	159596011	ZOBSUSJJFRQHKF-HUUCEWRRSA-N	316.401	2.311	70	20	DEID	
CCc1nc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)sc1C	1339472869	UNPFVBAGRKITQB-UHFFFAOYSA-N	317.367	2.253	70	20	DEID	
O=C(N[C@@H]1CC[C@H]2CCC[C@H]2C1)c1cc(S(=O)(=O)F)c[nH]1	1348696875	VKRBMGMDWKOAJU-OUAUKWLOSA-N	314.382	2.372	70	20	DEID	
O=C(Nc1nccc2ccccc12)c1cc(S(=O)(=O)F)c[nH]1	1520007472	RYHPMAJOCJNOBG-UHFFFAOYSA-N	319.317	2.473	70	20	DEID	
CCc1noc(C)c1NC(=O)C(=O)N1CC[C@H](C)C[C@@H](C)C1	161159392	CCYSASJSVVYCAK-WDEREUQCSA-N	307.394	2.379	70	20	DEID	
CNC[C@@H]1CCCN1C(=O)c1cccc(OC[C@H]2CCCO2)c1	161187927	OXVBTUKESIOBSX-DOTOQJQBSA-N	318.417	2.068	70	20	DEID	
Cc1ccc(C(=O)Cn2c(-c3cccnc3)noc2=O)s1	161279872	NXIBEQFDHRQZHZ-UHFFFAOYSA-N	301.327	2.151	70	20	DEID	
Cc1ccc(C(=O)N2CC(O)C2)cc1NC(=O)c1ccccc1	161445400	BAYKNBCKZPJREM-UHFFFAOYSA-N	310.353	2.064	70	20	DEID	
C[C@H](c1cccnc1)N(C)C(=O)CNC(=O)CC1CCCC1	161495073	QIDMOFCNBNJELR-CYBMUJFWSA-N	303.406	2.298	70	20	DEID	
O=C(NC[C@H]1CCCS1(=O)=O)N1CCC[C@@H]1c1ccccc1	160030977	FRDOLGPDKONUBP-HUUCEWRRSA-N	322.430	2.110	70	20	DEID	
COCCCCNC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccco1	160378864	YWOYJDBAJMMFSV-ZIAGYGMSSA-N	310.394	2.304	70	20	DEID	
CNC(=O)CNC(=O)Nc1ccc(C)c(OCCC(C)C)c1	160453547	NUGUXOCGOWWYAD-UHFFFAOYSA-N	307.394	2.287	70	20	DEID	
Cc1noc(-c2ccccc2C(=O)N[C@@H]2CCC[C@H](N)C2)n1	160831648	KQMQDKNDPQNROM-NWDGAFQWSA-N	300.362	2.045	70	20	DEID	
Cc1ccccc1CN(C)C(=O)Cn1cnc(C(C)C)cc1=O	160900069	LRCLHOGEMNAJSB-UHFFFAOYSA-N	313.401	2.334	70	20	DEID	
C[C@@H]1CC[C@H](COC(=O)c2ccc(S(=O)(=O)F)cc2)O1	490537758	VFQJLEOXMKYAFI-MWLCHTKSSA-N	302.323	2.069	70	20	DEID	
C[C@H]1SCCN(C(=O)c2ccc(S(=O)(=O)F)cc2)[C@@H]1C	865208010	SPSHTQZLGCPPFM-NXEZZACHSA-N	317.407	2.311	70	20	DEID	
O=C(N[C@H]1CCCc2occc21)c1cc(S(=O)(=O)F)c[nH]1	1121032870	SJWHIGNTPYFDAW-JTQLQIEISA-N	312.322	2.073	70	20	DEID	
COc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1123828861	JRXMEOOJNGXUQV-UHFFFAOYSA-N	312.322	2.242	70	20	DEID	
O=S(=O)(F)c1ccc(N[C@H](C2CCC2)[C@H]2CCCO2)nc1	1550637720	RIAOFRVIQDOKQC-TZMCWYRMSA-N	314.382	2.499	70	20	DEID	
C[C@H](CCO)CNC(=O)c1csc(Cc2ccccc2)n1	161030166	WKHSDEOBFWLRSY-GFCCVEGCSA-N	304.415	2.482	70	20	DEID	
O=C(Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1)[C@H]1CCCN1	161038660	KULVMFHWICRISP-OWCLPIDISA-N	304.390	2.059	70	20	DEID	
CCC(CC)N1C[C@H](C(=O)Nc2ccc(OC)c(N)c2)CC1=O	161106036	SNTWPOZONXBGAV-LLVKDONJSA-N	319.405	2.253	70	20	DEID	
CC[C@H](NC(=O)c1cccc(-c2ncn[nH]2)c1)[C@H]1CCCO1	161427444	OXRONQISDUBQPF-UONOGXRCSA-N	300.362	2.159	70	20	DEID	
CCN1CCN(C[C@H](C)CNC(=O)[C@@H](C)c2ccsc2)CC1	160119855	YUMRMYPJJYXLRE-CABCVRRESA-N	323.506	2.241	70	20	DEID	
COc1ccc(OC)c(S(=O)(=O)NCC2(C3CC3)CC2)c1	160212766	JVRZVRSODLOYEW-UHFFFAOYSA-N	311.403	2.172	70	20	DEID	
CCc1c(C(=O)NC[C@@H]2CCCN2CC)cnn1CC(C)C	160331926	FOXOGUZXTNWROD-AWEZNQCLSA-N	306.454	2.316	70	20	DEID	
O=C1CCCC[C@H]1[C@H]1COCCN1C(=O)c1cccc(F)c1	160391473	JXLASYWTBVYNFJ-LSDHHAIUSA-N	305.349	2.426	70	20	DEID	
Cc1ccc(-c2nnc(NC(=O)[C@@H]3COc4ccccc43)[nH]2)o1	160403377	LVQQVALCATVKKL-LLVKDONJSA-N	310.313	2.488	70	20	DEID	
O=C1CCc2ccc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4N3)cc2N1	160412295	FTGPSRFRDBKYOS-NOLJZWGESA-N	313.401	2.431	70	20	DEID	
CCNC(=O)N1CCc2ccc(NC(=O)[C@H](N)[C@@H](C)CC)cc21	160775000	CAFVNHAVMCJFNQ-XHDPSFHLSA-N	318.421	2.091	70	20	DEID	
CCCN(CC(=O)Nc1ccccc1OC)Cc1csnn1	160898910	RVROZIPSAFYVSD-UHFFFAOYSA-N	320.418	2.397	70	20	DEID	
COc1cccc(-c2nc(C(=O)NCCSC)c(C)[nH]2)c1	159458623	VJKLDFQIRRBOBZ-UHFFFAOYSA-N	305.403	2.487	70	20	DEID	
CC(C)[C@H](C(=O)NCCCN(C)Cc1ccccc1)N(C)C	159693910	MZGWHNMIMHRBFM-QGZVFWFLSA-N	305.466	2.211	70	20	DEID	
Cc1ccc(-c2nc(C(=O)N(CC(N)=O)CC(C)C)cs2)o1	159719162	GNDOPQLPMCEDJV-UHFFFAOYSA-N	321.402	2.295	70	20	DEID	
CCN1CCCN(C(=O)N[C@H](C)CCc2cccn2C)CC1	159914386	JIWRPANAHMBGQY-OAHLLOKOSA-N	306.454	2.083	70	20	DEID	
CC(C)COc1cccc(C(=O)N(CC(N)=O)CC(C)C)c1	159784368	QYYUJCOZOKZKFL-UHFFFAOYSA-N	306.406	2.305	70	20	DEID	
CN1CCC[C@H](CNC[C@@H](O)COc2ccc(Cl)cc2)C1	217575267	JCXNPFYZHMUVTF-UKRRQHHQSA-N	312.841	2.011	70	20	DEID	
O=C(Nc1cccc(S(=O)(=O)F)c1)[C@@H]1CCCSC1	460093088	NKUDHNCJZCOHBS-SECBINFHSA-N	303.380	2.427	70	20	DEID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)c1ocnc1C1CC1	460090941	ILRRAUNPBRHKIB-UHFFFAOYSA-N	310.306	2.463	70	20	DEID	
O=[N+]([O-])c1ccc(N2CC(C(F)F)C2)c(CS(=O)(=O)F)c1	882101352	VYWIBGTYDNHXCA-UHFFFAOYSA-N	324.280	2.095	70	20	DEID	
COC(=O)c1cc(CN(C)C(=O)c2cccc(F)n2)oc1C	161177149	OCNWBXPJHCOJSS-UHFFFAOYSA-N	306.293	2.181	70	20	DEID	
C[C@H]1C(=O)NCCN1C(=O)CCCCCO[C@H]1CCC[C@@H](C)C1	161230184	ABJDDEYWHRHQGU-PMPSAXMXSA-N	324.465	2.489	70	20	DEID	
CC[C@@H](NC(=O)c1cccc(-c2ncn[nH]2)c1)[C@@H]1CCCO1	161427349	OXRONQISDUBQPF-KGLIPLIRSA-N	300.362	2.159	70	20	DEID	
C[C@H](NCCS(=O)(=O)c1ccc(F)cc1)c1cccnc1	160560400	MNRIMVYDTTUDAT-LBPRGKRZSA-N	308.378	2.345	70	20	DEID	
CCOCCO[C@H](C)C(=O)N[C@@H]1CCOC2(CCCCC2)C1	160719550	AVCBGYPMAYZBBO-HUUCEWRRSA-N	313.438	2.426	70	20	DEID	
Cc1c(/C=C/C(=O)N[C@H](C)CN2C[C@@H](C)C[C@@H](C)C2)cnn1C	160993783	USRMPPIOIIASQI-VNOZKIMMSA-N	318.465	2.224	70	20	DEID	
CN(CC1CCOCC1)C(=O)N[C@H]1CCCC[C@@H]1n1cccn1	159627528	PHMNCANQMVLRDT-HOTGVXAUSA-N	320.437	2.435	70	20	DEID	
C[C@@H](Oc1cccnc1)C(=O)NCCNC1CCCCCC1	159696514	LLCZUYHTCFRPJX-CQSZACIVSA-N	305.422	2.278	70	20	DEID	
COC(=O)c1ccc(S(=O)(=O)N2CC[C@H](C)C[C@@H](C)C2)o1	159717037	IQDRLEXNZDDKRD-WDEREUQCSA-N	315.391	2.123	70	20	DEID	
CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CC(C)(C)Oc2ccccc21	159937602	JBGCRKMRNKRVBK-LSDHHAIUSA-N	316.401	2.416	70	20	DEID	
Cc1ccccc1CC(=O)N(C)CC(C)(C)CN1CCOCC1	159575527	FGZCFZRCFHCGQT-UHFFFAOYSA-N	318.461	2.354	70	20	DEID	
CCOC(=O)C[C@H](NC(=O)[C@@H]1CCCO1)c1ccccc1C	159979452	VWWCGUVKSDFLQU-GJZGRUSLSA-N	305.374	2.285	70	20	DEID	
CCc1noc(C)c1CSCCCS(=O)(=O)N(C)C	159980978	BYYDJQYKYIFKQF-UHFFFAOYSA-N	306.453	2.060	70	20	DEID	
Cc1nc(CSCC(=O)NCC2(CO)CCCC2)cs1	160281864	PRJCZXLZWDFSSC-UHFFFAOYSA-N	314.476	2.354	70	20	DEID	
COC1CCC(NC(=O)c2ccc(S(=O)(=O)F)cc2)CC1	864244323	RXGBSWNWGDYTCM-UHFFFAOYSA-N	315.366	2.032	70	20	DEID	
COc1ccc(F)cc1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1338260097	JSDBYSQZRJGXTH-UHFFFAOYSA-N	316.285	2.073	70	20	DEID	
O=C(Cc1ccc(S(=O)(=O)F)cc1)N1C[C@H]2CCC[C@H]2C1	1349946376	RWDTVBAHAJFUDF-BETUJISGSA-N	311.378	2.146	70	20	DEID	
CCN(Cc1cnn(C)c1)[C@@H](C)C(=O)N1CCc2ccccc21	161071984	CZVMYKKTTQTPQJ-AWEZNQCLSA-N	312.417	2.220	70	20	DEID	
CC(C)CCn1ccc(NC(=O)N2CCN(CC3CC3)CC2)n1	161253497	AUVJWGGYAHQTMC-UHFFFAOYSA-N	319.453	2.489	70	20	DEID	
COc1ccc(NC(=O)C[C@H](C)NC(=O)C2CCCC2)cc1N	161336982	QXESOCLWXUNWSP-NSHDSACASA-N	319.405	2.301	70	20	DEID	
CCc1ncc(C(=O)N2CCOC[C@H]2[C@@H]2CCCCC2=O)s1	160479739	YVFVPAWROSAIQK-RYUDHWBXSA-N	322.430	2.306	70	20	DEID	
C[C@@H]1Oc2ccc(NC(=O)[C@@H](C)C3CCOCC3)cc2NC1=O	160539997	YEWYTUQTSUQPNL-QWRGUYRKSA-N	318.373	2.407	70	20	DEID	
CS[C@H](C)CC(=O)N1CCC[C@H]1C(=O)NCc1ccco1	160682565	XBTYVQIFOLHMTH-YPMHNXCESA-N	310.419	2.028	70	20	DEID	
O=C(C[C@H]1CCCN1)NC[C@@H](O)c1c(Cl)cccc1Cl	160686300	VVJGPPMIWLBPAF-BXKDBHETSA-N	317.216	2.285	70	20	DEID	
C[C@H](c1cccnc1)N(C)C(=O)c1csc(S(C)(=O)=O)c1	159814302	MHKPRWGBNYEYQI-SNVBAGLBSA-N	324.427	2.380	70	20	DEID	
CC[C@@H](NC(=O)c1cnc2c(c1)ncn2C)c1nccs1	159875471	QNDDEGCBDPZNNZ-SNVBAGLBSA-N	301.375	2.306	70	20	DEID	
CC(=O)N1CC[C@H](NC(=O)c2cc(F)cc(C(F)(F)F)c2)C1	159567927	UYHOJCBGWORYDR-LBPRGKRZSA-N	318.270	2.195	70	20	DEID	
CC(=O)N[C@@H](C)C(=O)N[C@@H](c1cccc(C)c1)c1ccccn1	159776747	SXTOOOVAYVWRMM-GUYCJALGSA-N	311.385	2.120	70	20	DEID	
O=C(N[C@H]1CCOC2(CCCC2)C1)[C@@H]1COc2ccccc2O1	159391307	MKCAAJNGMMBICL-BBRMVZONSA-N	317.385	2.434	70	20	DEID	
C[C@@H]1CCc2nc(CN3CCC(CC(N)=O)CC3)sc2C1	159782043	DYIDAYOVSJXYBQ-LLVKDONJSA-N	307.463	2.355	70	20	DEID	
C[C@@H]1CCCC[C@H]1C(=O)Nc1cncc(OS(=O)(=O)F)c1	2088595706	AIUNOTXEQXDHFX-BXKDBHETSA-N	316.354	2.440	70	20	DEID	
O=C(NCC(=O)N1[C@H]2C=CC[C@H]1CC2)OCc1ccccc1	218744718	WCTJDBKKOAXGBE-GJZGRUSLSA-N	300.358	2.232	70	20	DEID	
CO[C@@H]1CCC[C@H](C(=O)Nc2cccc(S(=O)(=O)F)c2)C1	460093722	OSQQCOYCDSBSKU-CMPLNLGQSA-N	315.366	2.489	70	20	DEID	
N#CCSCCCOC(=O)c1cccc(S(=O)(=O)F)c1	1332329547	JKMLLVVBQKJNMQ-UHFFFAOYSA-N	317.363	2.148	70	20	DEID	
CCOc1ccccc1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1339471960	JURHCONBCYYBAE-UHFFFAOYSA-N	312.322	2.324	70	20	DEID	
CCc1c(C(=O)NC[C@@H](C)CCO)cnn1-c1ccccc1	161012757	VFKJYRHCCCJSFF-ZDUSSCGKSA-N	301.390	2.183	70	20	DEID	
Cc1ncc(CN2CCC[C@@H](c3nnc4n3CCC4)C2)s1	161393280	TWJLCBFUDAFNQO-GFCCVEGCSA-N	303.435	2.369	70	20	DEID	
C[C@H](CC(=O)N1CCNC(=O)[C@@H]1c1ccccc1)c1ccncc1	160296982	UCHANORZYBRFMG-KDOFPFPSSA-N	323.396	2.275	70	20	DEID	
CN(C)CC(C)(C)CNC(=O)c1csc([C@H]2CCCO2)n1	160334153	BANRAUAUAUWVLV-GFCCVEGCSA-N	311.451	2.312	70	20	DEID	
COc1cc(Cl)c(CN2CCC[C@@H]2C(N)=O)cc1Cl	160376031	NRVUEFTYEPIFFN-LLVKDONJSA-N	303.189	2.452	70	20	DEID	
CCc1nc(CN[C@@H](C)c2cccc(N3CCOC3=O)c2)n[nH]1	160387399	FMPNSTJODOYWKN-NSHDSACASA-N	315.377	2.175	70	20	DEID	
CSc1ccccc1NC(=O)[C@@H](C)N(C)C[C@H](O)C1CC1	160767154	DZGLJYFBYJNCPZ-RISCZKNCSA-N	308.447	2.438	70	20	DEID	
CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)C1CCNCC1	160831255	GABRVWHXCTZIIY-KRWDZBQOSA-N	322.424	2.343	70	20	DEID	
C[C@H](CCO)CNC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1	160900966	OQWHLVREWFPVAM-BMFZPTHFSA-N	306.406	2.224	70	20	DEID	
COc1ccc(N(C)C(=O)c2ccc3c(c2)nnn3C)cc1F	159821996	JFROZUYICYITMI-UHFFFAOYSA-N	314.320	2.393	70	20	DEID	
CCCC[C@H](COC)NC(=O)Nc1ccnn1C[C@H]1CCOC1	159884680	VWPICKRMJMAZJP-ZIAGYGMSSA-N	324.425	2.246	70	20	DEID	
CCN(Cc1nc2ccccc2c(=O)[nH]1)Cc1ccnn1CC	159895226	SLJQXDDFSQHVFW-UHFFFAOYSA-N	311.389	2.162	70	20	DEID	
CCN1CCCN(C(=O)N[C@@H](C)CCc2ccc(O)cc2)CC1	159572950	MYKRDJIVLRBDJI-HNNXBMFYSA-N	319.449	2.451	70	20	DEID	
Cc1cccc(C)c1OCCCNC(=O)N1CCN(C)CC1	217298172	JEUBNQKSHKJZSZ-UHFFFAOYSA-N	305.422	2.029	70	20	DEID	
O=C(C[C@H]1CCCCO1)Nc1ccc(S(=O)(=O)F)cc1	123000760	ZPMFNLIBSFXACV-LLVKDONJSA-N	301.339	2.243	70	20	DEID	
C=C[C@@H]1CCCCN1C(=O)Cc1ccc(S(=O)(=O)F)cc1	1349623904	FXGQROFRKLZCNK-CYBMUJFWSA-N	311.378	2.454	70	20	DEID	
O=S(=O)(F)c1ccc(NC[C@@H]2C[C@@H]2C2CCOCC2)nc1	1550639752	QYIXOMMPTCADIY-WCQYABFASA-N	314.382	2.214	70	20	DEID	
O=C(Cc1ccc(Br)s1)N[C@@H]1CCC[C@H]1O	161098368	AAQGGFFYJPSVGA-RKDXNWHRSA-N	304.209	2.083	70	20	DEID	
COc1ccc(NC(=O)C2CCN(C(=O)C(C)C)CC2)cc1N	161103909	ZPGXPTJTWJATNE-UHFFFAOYSA-N	319.405	2.111	70	20	DEID	
CC(C)(C)[C@H]1CCCN(C(=O)N[C@H]2CCc3ncnn3C2)CC1	161242882	YAZGULQWMCDHBI-KBPBESRZSA-N	319.453	2.451	70	20	DEID	
Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)Nc2ccsc2)C1	160502862	OHTXALZNGVEWBQ-WCQYABFASA-N	320.418	2.459	70	20	DEID	
O=C(Nc1ccn(CC(F)(F)F)n1)N1CC[C@@]2(CCOC2)C1	160674947	AHFFFNVWPOMBNN-GFCCVEGCSA-N	318.299	2.090	70	20	DEID	
CSc1ccc(NC(=O)[C@H](C)N(C)C[C@H](O)C2CC2)cc1	160788824	ACZWPHCKJSEIMQ-NHYWBVRUSA-N	308.447	2.438	70	20	DEID	
CC[C@@H](O)CCNC(=O)NCc1cccc(CN2CCCC2)c1	160967326	ZEBFATHQBFHFOW-QGZVFWFLSA-N	319.449	2.243	70	20	DEID	
C[C@@H](c1ccccc1)[C@](C)(O)C(=O)NC[C@H](O)c1ccsc1	159518438	QDSYUZXVGCHALX-NUTKFTJISA-N	319.426	2.452	70	20	DEID	
CO[C@](C)(C(=O)Nc1ccc(S(=O)(=O)F)c(F)c1)C1CC1	857673267	XVNWQCIEYMHVTA-ZDUSSCGKSA-N	319.329	2.238	70	20	DEID	
C[C@H]1C[C@H](C(=O)Nc2ccc(S(=O)(=O)F)c(F)c2)CCO1	857674583	MBNTUAOJSLRLFL-DTWKUNHWSA-N	319.329	2.238	70	20	DEID	
C#CCCCCNC(=O)CCc1ccc(S(=O)(=O)F)cc1	1338004846	BBILUVJWVLDRFO-UHFFFAOYSA-N	311.378	2.197	70	20	DEID	
CN(C)CCNC(=O)c1cccc(CNC(C2CC2)C2CC2)c1	161223255	ZSINZOOZRCLXAC-UHFFFAOYSA-N	315.461	2.256	70	20	DEID	
CCCN(CC(=O)N1CCCC1)[C@@H](C)C(=O)Nc1ccccc1	160000223	GZYMZWIAZLLAPW-HNNXBMFYSA-N	317.433	2.348	70	20	DEID	
Cc1nc(C)c(C(=O)N2CCOC[C@@H]2[C@H]2CCCCC2=O)s1	160472184	CAXQNZCZIXOYGD-CHWSQXEVSA-N	322.430	2.360	70	20	DEID	
Cc1ccc([C@H]2COCCN2C(=O)[C@H]2CCC(=O)C[C@@H]2C)o1	160677151	PLPHLOAXZJZOSE-TUKIKUTGSA-N	305.374	2.493	70	20	DEID	
O=C(NCc1ccc(F)cc1)Nc1ccnn1C[C@@H]1CCOC1	159603788	UCNMWLHKKFXIEZ-ZDUSSCGKSA-N	318.352	2.380	70	20	DEID	
COC(=O)C1(N(C)CC(=O)N[C@H]2CCCC[C@@H]2C)CCCC1	159439463	OUBUGXRBPVFYSA-KBPBESRZSA-N	310.438	2.099	70	20	DEID	
CCN(CC)C(=O)[C@@H]1CSCN1C(=O)c1cc(C)c(C)o1	159870313	SUHNTGUNROVSAE-LBPRGKRZSA-N	310.419	2.280	70	20	DEID	
Cc1cc(C)c(C(=O)NC2CCC(OC(C)C)CC2)c(=O)[nH]1	159538746	LETSAEKNKLVCAN-UHFFFAOYSA-N	306.406	2.458	70	20	DEID	
O=S(=O)(F)CCN(CC1CC1)c1cccc2nc(O)oc12	1887497494	KEIBLHPJVVMYAM-UHFFFAOYSA-N	314.338	2.049	70	20	DEID	
O=C(N[C@@H]1C[C@@H]1Cc1ccccc1)c1cc(S(=O)(=O)F)c[nH]1	1338391254	YDORHDDKNOXBSA-WCQYABFASA-N	322.361	2.034	70	20	DEID	
Cc1conc1NC(=O)C(=O)NCC(C)(C)c1ccc(F)cc1	161020589	ZZMINSHIEKJUOP-UHFFFAOYSA-N	319.336	2.155	70	20	DEID	
CN(C)Cc1cccc(CNC(=O)NOCc2cccnc2)c1	161089202	DGVPTOVHWRCLTG-UHFFFAOYSA-N	314.389	2.074	70	20	DEID	
CCN(Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1cccc(F)c1	161102853	QADYUGFUWBPIFC-LBPRGKRZSA-N	304.369	2.408	70	20	DEID	
Cc1[nH]ccc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C	161479822	MVEXWFLXBGFIGX-LLVKDONJSA-N	307.394	2.405	70	20	DEID	
Cc1nn(C)c(C)c1OCC(=O)N[C@H]1CCOC2(CCCC2)C1	160036605	ZYUQZCMZMPETKP-AWEZNQCLSA-N	321.421	2.024	70	20	DEID	
CC(C)[C@H](CNC(=O)[C@H](C)c1ccsc1)N1CCN(C)CC1	160056285	PZQZATFZBUQPHW-ZBFHGGJFSA-N	323.506	2.240	70	20	DEID	
COc1cc(/C=C/C(=O)N2CCC[C@@H]2CN)ccc1OC(C)C	160334384	LRPGRSWLASTBIB-LOWQCSRCSA-N	318.417	2.445	70	20	DEID	
C[C@@H](CC(=O)NC[C@H](O)CN1CCCCC1)c1cccc(F)c1	160514534	ZZEMEFVSUJMEMB-YOEHRIQHSA-N	322.424	2.282	70	20	DEID	
Cc1nn(C)c2ncc(C(=O)N(C)c3ccc4c(c3)OCO4)cc12	160558497	GOHBCYHMONMEDC-UHFFFAOYSA-N	324.340	2.282	70	20	DEID	
CC(C)CSCCCNC(=O)[C@@H](C)OC[C@@H]1CCCO1	160717035	CWIPDVRVEFETRC-KGLIPLIRSA-N	303.468	2.466	70	20	DEID	
CCC(=O)Nc1ccc(NC(=O)N(C)CCCC(=O)NC)cc1	160882074	ZXRODKIUWXUCRH-UHFFFAOYSA-N	320.393	2.025	70	20	DEID	
COC(=O)c1c(F)cccc1S(=O)(=O)Nc1cccc(C)n1	160908682	QXXCECBJFVSNDV-UHFFFAOYSA-N	324.333	2.117	70	20	DEID	
Cc1ccc([C@H](C)N(C)C(=O)NC[C@H]2CCCS2(=O)=O)cc1	159801494	AUMCWPPWMISPGM-DZGCQCFKSA-N	324.446	2.275	70	20	DEID	
CCCNC(=O)CCC(=O)NCCc1cc2ccccc2[nH]1	159674941	ICPKMRFEDPIOIN-UHFFFAOYSA-N	301.390	2.133	70	20	DEID	
CCC[C@@H](NC(=O)CN(C)CC(=O)OCC)c1ccccc1	159503537	RDKMSFHQYPQFJF-OAHLLOKOSA-N	306.406	2.139	70	20	DEID	
CC[C@@H](C)CS(=O)(=O)NCCCOc1cccc(OC)c1	159579289	NFVCBLPLRWCERW-CYBMUJFWSA-N	315.435	2.430	70	20	DEID	
CN(C(=O)NC[C@@H]1CCCS1)[C@@H]1CCCc2c1cnn2C	159583948	RVVWTSADSWCLNK-WCQYABFASA-N	308.451	2.335	70	20	DEID	
O=C(COc1ccc(F)cc1Cl)N[C@@H]1CCC[C@@H]1CO	217995683	VCRCECWPCYUSHI-BXKDBHETSA-N	301.745	2.135	70	20	DEID	
COc1cccc(CCNC(=O)N2CCCC[C@@H]2CCO)c1	217431574	ZDRPCGICYLUWPR-OAHLLOKOSA-N	306.406	2.184	70	20	DEID	
Cc1ccc(NC(=O)/C=C/[C@H]2CCOC2)cc1S(=O)(=O)F	857674500	YNOZNADUKGHYMB-TZNOJPMFSA-N	313.350	2.184	70	20	DEID	
O=C(Cc1ccc(S(=O)(=O)F)cc1)N[C@@H]1C[C@H]1c1ccco1	1121221447	MDYKUOGSIOBVMS-CHWSQXEVSA-N	323.345	2.153	70	20	DEID	
C[C@@H]1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1C	1516700830	BFUKSIOWEDJMBV-BBBLOLIVSA-N	302.371	2.227	70	20	DEID	
N[C@@H]1CCC[C@@H](NC(=O)C2(c3ccc(F)cc3)CCOCC2)C1	161066175	GXHCLUUARHOFGT-HZPDHXFCSA-N	320.408	2.260	70	20	DEID	
COC(=O)c1[nH]c(C)c(C(=O)NCC2(O)CCCCCC2)c1C	161120424	BFEYOIBPCYBZFX-UHFFFAOYSA-N	322.405	2.233	70	20	DEID	
N[C@H]1CCC[C@@H](NC(=O)CCc2cnn(-c3ccccc3)c2)C1	161121749	QEBZKFXUPRUQFA-JKSUJKDBSA-N	312.417	2.191	70	20	DEID	
CCOC(=O)CCCNC(=O)COc1ccc(Cl)c(F)c1	161139957	VGTRDRGBYKCNTD-UHFFFAOYSA-N	317.744	2.317	70	20	DEID	
CCOC(=O)c1ccc(CN2CCCC[C@@H]2C(=O)OCC)o1	161278761	KUPBHUWKJJZPSB-CYBMUJFWSA-N	309.362	2.374	70	20	DEID	
CCc1nccn1[C@H]1CCCN(C(=O)C(CC)(CC)CN)C1	161290813	PQKXTIZPVAITPX-AWEZNQCLSA-N	306.454	2.374	70	20	DEID	
Cn1cnc(-c2ccc(NC(=O)N[C@H](CO)C(C)(C)C)cc2)n1	161312668	FWNBDPKNHNSEIY-CYBMUJFWSA-N	317.393	2.011	70	20	DEID	
Cc1ccc(-n2nc(C(=O)NCCCN)c3c2CCC3)c(C)c1	160038379	GNZWGFTWNJRZMK-UHFFFAOYSA-N	312.417	2.056	70	20	DEID	
C[C@@]1(O)CCCN(C(=O)NCc2ccccc2OC(F)F)C1	160093916	IFBMWAMYJQUKTI-OAHLLOKOSA-N	314.332	2.344	70	20	DEID	
CS[C@@H](C)CC(=O)Nc1nc(CN2CCOCC2)cs1	160258092	MJMCPSBVZQYHBO-JTQLQIEISA-N	315.464	2.055	70	20	DEID	
C[C@H](CNC(=O)N1CCC[C@](C)(O)C1)N(C)c1ccccc1	160301362	GYCPKFHPHBRADA-PBHICJAKSA-N	305.422	2.068	70	20	DEID	
CNC(=O)c1ccc(NC(=O)[C@H]2C[C@H]3CC[C@@H]2O3)c(Cl)c1	160303261	REZFHUDDBXZFAN-NRUUGDAUSA-N	308.765	2.206	70	20	DEID	
NC(=O)[C@@H]1CCCN1Cc1ccc(-n2cnc3ccccc32)cc1	160341428	AILHCCRQGXTKFU-SFHVURJKSA-N	320.396	2.475	70	20	DEID	
CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2c(C)n[nH]c2C)C1	160370752	ZJZZCJYUNSCIET-GXFFZTMASA-N	306.410	2.250	70	20	DEID	
CCOC(=O)NCCCC(=O)Nc1nnc(C(C)(C)C)s1	160371774	WOOJEIDPBMMUEH-UHFFFAOYSA-N	314.411	2.300	70	20	DEID	
CC(C)N(C)C(=O)C[S@](=O)c1ncc(C(C)(C)C)s1	160537205	DDUNTIQZBXZZLC-LJQANCHMSA-N	302.465	2.415	70	20	DEID	
C[C@@H](CO)N(C)C(=O)CCc1cc(Br)cs1	160587273	JKNJVZICAUQWPA-QMMMGPOBSA-N	306.225	2.282	70	20	DEID	
CCc1ccc(CCC(=O)NCC2CCN(CCO)CC2)cc1	160623657	ABUCDRHTQSWRTC-UHFFFAOYSA-N	318.461	2.002	70	20	DEID	
CC(C)(C(=O)NC[C@@H](O)CN1CCCCC1)c1ccc(F)cc1	160636998	MQVIBMRFHAGNMJ-MRXNPFEDSA-N	322.424	2.066	70	20	DEID	
COC1(C(=O)N[C@H](C)c2ccc(F)cc2Cl)CCNCC1	159630277	PSXXVBGKPSNFIN-SNVBAGLBSA-N	314.788	2.425	70	20	DEID	
COc1ccc(N(C)C(=O)CCOC[C@@H]2CCCO2)cc1F	159565891	CJRYXBALLIRITH-ZDUSSCGKSA-N	311.353	2.383	70	20	DEID	
CC[C@H](O)CN(Cc1ccccc1)c1cc(Cl)nc(N)n1	161014995	GJMSNZXOYBNQAV-LBPRGKRZSA-N	306.797	2.490	70	20	DEID	
CC[C@@H]1CC[C@H](C(=O)Nc2ccc(S(=O)(=O)F)cc2)O1	274977880	OZBBIDPESNKFPZ-ZYHUDNBSSA-N	301.339	2.241	70	20	DEID	
CCN(CC(C)C)C(=O)Cc1ccc(S(=O)(=O)F)cc1	1120882277	ZRBLATFKWRWQLI-UHFFFAOYSA-N	301.383	2.392	70	20	DEID	
C=CCN(C(=O)CCc1ccc(S(=O)(=O)F)cc1)C1CC1	1337462537	PEKJQZGOUBBGOQ-UHFFFAOYSA-N	311.378	2.454	70	20	DEID	
CC(C)[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H]1C(C)C	1521437295	CZECNXJBRJEWJF-WCQYABFASA-N	316.398	2.426	70	20	DEID	
COCCC1(CNC(=O)N2CCN(C3CCCCC3)CC2)CC1	161134272	HDUSQVBVKXBTJW-UHFFFAOYSA-N	323.481	2.463	70	20	DEID	
CCC(CC)NC(=O)/C=C/C(=O)Nc1ccc2[nH]ncc2c1	161180876	WHOLSLSAAAXKDG-BQYQJAHWSA-N	300.362	2.362	70	20	DEID	
COC1(C(=O)N2CC[C@@H](c3ccccc3)[C@@H]2C)CCNCC1	161423308	IYFJPGNIZVEHQS-GOEBONIOSA-N	302.418	2.160	70	20	DEID	
COC(=O)C(C)(C)NC(=O)CCC(=O)c1ccc2c(c1)CCC2	160027232	XSUJTAANZYGRPV-UHFFFAOYSA-N	317.385	2.206	70	20	DEID	
CNC(=O)c1ccc(NC(=O)c2cnn(CC(C)C)c2C)cc1	160289619	PFTGFHJUVKNNQV-UHFFFAOYSA-N	314.389	2.459	70	20	DEID	
O=C1C[C@H](CC(=O)N2CCC(OCc3ccccc3)CC2)CO1	160334782	REEQWUWXCQLHET-HNNXBMFYSA-N	317.385	2.147	70	20	DEID	
COC(=O)c1csc(NC(=O)NC[C@@H]2CCCC[C@H]2O)c1	160642258	MITWKLUFIVUPHP-GXSJLCMTSA-N	312.391	2.207	70	20	DEID	
CN(CC1(c2ccc(Br)cc2)CC1)C(=O)C1(N)CC1	160739530	FUMNPNBGLHOLCP-UHFFFAOYSA-N	323.234	2.430	70	20	DEID	
Cc1cc(N[C@@H](C)C(=O)NC[C@H](C)c2ccccc2)nn1C	159646793	NXYHLRNZOMGFIV-JSGCOSHPSA-N	300.406	2.449	70	20	DEID	
CCc1nc([C@H](C)NC(=O)NC[C@](C)(O)CSC)cs1	159667700	GIJHQURYQVCGCZ-ZANVPECISA-N	317.480	2.180	70	20	DEID	
CCC[C@@H]1CN(C(=O)NC[C@H]2Cc3ccccc3O2)CCO1	159670980	QMKPCFAQUIWMQJ-HUUCEWRRSA-N	304.390	2.201	70	20	DEID	
COC[C@H](O)CCNC(=O)Nc1ccccc1OCC(C)C	159559934	UXKAZDHKQONLPP-CYBMUJFWSA-N	310.394	2.240	70	20	DEID	
CC(=O)N1CC[C@H](NC(=O)c2ccc3ccc(Cl)cc3n2)C1	159756149	NUOTVXMTOGLVRL-ZDUSSCGKSA-N	317.776	2.239	70	20	DEID	
COc1ccc(CNC(=O)[C@H]2CCC(=O)C[C@H]2C)c(OC)c1	159775799	KRDCRCHMSPVMOW-ABAIWWIYSA-N	305.374	2.325	70	20	DEID	
CC[C@H](CCO)CNC(=O)NC[C@H]1CCCCN1CC(C)C	161017034	OEEOTNLGMRRGSC-HZPDHXFCSA-N	313.486	2.205	70	20	DEID	
Cc1ccc(NC(=O)C(=O)N[C@@H](C)C2CCOCC2)cc1F	161050172	AINTWLOKHDNYNS-NSHDSACASA-N	308.353	2.004	70	20	DEID	
C[C@@H]1CN(C(=O)CC2CCNCC2)[C@@H](c2ccccc2)CO1	161088043	BAUDSCOZAFHVLD-RHSMWYFYSA-N	302.418	2.365	70	20	DEID	
N[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)C1	160192803	JPACYDICILFCNC-YUSALJHKSA-N	314.307	2.248	70	20	DEID	
CC(C)Cn1ncc(C(=O)NCc2csc(=O)[nH]2)c1C1CC1	160305595	QGRFCRFGUWJDNR-UHFFFAOYSA-N	320.418	2.096	70	20	DEID	
C[C@@H]1CC(=O)CC[C@H]1C(=O)NCc1cccc2c1OCCCO2	160591031	PWWXXMWLNXNFOS-IUODEOHRSA-N	317.385	2.469	70	20	DEID	
CCc1nn(C)c(Cl)c1C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	160610712	ZALHTQNXIGJWFU-BIMULSAOSA-N	323.824	2.323	70	20	DEID	
Cc1nn(C)c(C)c1OCC(=O)N1c2ccccc2OC[C@H]1C	160909049	ZDBCDYCPALLSGJ-LLVKDONJSA-N	315.373	2.230	70	20	DEID	
C[C@@H](CC(=O)c1cccs1)NC(=O)COC[C@H]1CCCO1	160948480	YBYMCGLDZFXRAI-NWDGAFQWSA-N	311.403	2.021	70	20	DEID	
O=C(NC[C@H](c1ccco1)N1CCCCC1)[C@@H]1CCCCO1	159871608	DDSIPEBOLCHYHX-ZBFHGGJFSA-N	306.406	2.492	70	20	DEID	
Cc1onc(-c2ccccn2)c1C(=O)NCCC(=O)OC(C)C	159508404	FNTUNNYSSMQBKT-UHFFFAOYSA-N	317.345	2.117	70	20	DEID	
CC(C)OC(=O)CCCNC(=O)N[C@@H]1COc2ccccc2C1	159558930	QZKFCIFOTALQNE-AWEZNQCLSA-N	320.389	2.021	70	20	DEID	
CCCN1CCC(N(C)C(=O)NCCc2cscn2)CC1	159572013	DALJJNOEYVZJDU-UHFFFAOYSA-N	310.467	2.201	70	20	DEID	
O=C(Nc1cc(Cl)ccc1-n1cncn1)[C@H]1CCCCO1	159975489	PBZKHRDFOVAWCE-CYBMUJFWSA-N	306.753	2.428	70	20	DEID	
CC(C)(C)OC(=O)NC[C@H]1CCCCN1CCn1ccnc1	159790074	QMXKGHPVTKAPDW-CQSZACIVSA-N	308.426	2.262	70	20	DEID	
CC[C@@H]1C[C@H](C(=O)Nc2ccc(S(=O)(=O)F)cc2)CCO1	123005825	CWKUYYRANRLZRI-ZYHUDNBSSA-N	315.366	2.489	70	20	DEID	
C[C@@H](Cc1ccsc1)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1337667539	RQHMJGODYYYKCF-QMMMGPOBSA-N	316.379	2.095	70	20	DEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC[C@H]1C1CCC1	1351024881	ZILFABOALNFQOD-LBPRGKRZSA-N	300.355	2.078	70	20	DEID	
O=S(=O)(F)c1ccc(NC[C@@H]2CCC3(CCC3)O2)nc1	1550642637	CEFKGEKTMNAAFZ-JTQLQIEISA-N	300.355	2.253	70	20	DEID	
COC1(C(=O)N2CC[C@@H](c3ccccc3)[C@@H](C)C2)CCNCC1	161238307	UDTFHQIPZURXBE-DOTOQJQBSA-N	316.445	2.407	70	20	DEID	
COCc1nc2n(n1)C[C@@H](Nc1nc3ccccc3nc1C)CC2	161350802	QJBYRIIGIBMGET-LBPRGKRZSA-N	324.388	2.103	70	20	DEID	
C[C@@H](c1ccccn1)N(C)C(=O)CNC(=O)CC1CCCC1	161467913	KGGNCSSUZRCDML-ZDUSSCGKSA-N	303.406	2.298	70	20	DEID	
O=C1CCc2ccc(NC(=O)[C@H]3C[C@H]4CCCC[C@@H]4N3)cc2N1	160412699	FTGPSRFRDBKYOS-IVMMDQJWSA-N	313.401	2.431	70	20	DEID	
CCC[C@H]1C(=O)NCCN1C(=O)Nc1cccc2[nH]ccc12	160818554	AQNMWTVZPDLGCV-AWEZNQCLSA-N	300.362	2.300	70	20	DEID	
COC(=O)[C@](C)(NCc1noc(-c2ccsc2)n1)C1CC1	160939295	LIEQMHSKIXULKG-CQSZACIVSA-N	307.375	2.229	70	20	DEID	
CCCCCOc1ccc(S(=O)(=O)NC[C@H](C)CO)cc1	159725925	MAYLIYPLEQWZRE-ZDUSSCGKSA-N	315.435	2.162	70	20	DEID	
CCCCN(C)CCNC(=O)c1cc2c([nH]c1=O)CCCCC2	159949924	FDDPIWKUFVEPGH-UHFFFAOYSA-N	319.449	2.106	70	20	DEID	
CCCCOC(=O)CSc1nnc(-c2ccccn2)n1C	159568881	FDLYNDDYAJLJEB-UHFFFAOYSA-N	306.391	2.313	70	20	DEID	
O=C(N[C@@H]1CCOC2(CCCC2)C1)[C@H]1CCc2cn[nH]c2C1	159773514	HBVWIUZDLUVTJT-GXTWGEPZSA-N	303.406	2.123	70	20	DEID	
COC(=O)[C@@H](C)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1	159580731	ZOPMFVAKQGFUQW-GFCCVEGCSA-N	324.808	2.049	70	20	DEID	
CC[C@@H](C)OCC(=O)N1CCCN(C(=O)OC(C)(C)C)CC1	159988837	WEIWJJYVUOGPMT-CYBMUJFWSA-N	314.426	2.271	70	20	DEID	
CN([C@@H](CN)C1CC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1	159964107	IGMUCNUOLXKARM-LBPRGKRZSA-N	323.245	2.351	70	20	DEID	
CC(=O)[C@H](C)SC(F)(F)COS(=O)(=O)C(F)(F)F	849885721	NGMNVJDAWMTKGI-YFKPBYRVSA-N	316.269	2.156	70	20	DEID	
NC(=O)c1ccc(C(=O)Nc2ccc(O)c3ccccc23)nc1	217761170	UVRSEDQQAUIWQO-UHFFFAOYSA-N	307.309	2.292	70	20	DEID	
COC[C@@H](C)[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)F)cc1	460093636	OJXSMVGVEZADGA-NXEZZACHSA-N	303.355	2.202	70	20	DEID	
O=C(NC1CC=CC1)c1cc(S(=O)(=O)F)ccc1Cl	1354898938	OVSZBHHVHPIFSQ-UHFFFAOYSA-N	303.742	2.447	70	20	DEID	
COCCC1(CNC(=O)N2CC[C@@H](C)[C@@H](n3ccnc3)C2)CC1	161021214	JYDBLSMEDNGKHM-CABCVRRESA-N	320.437	2.292	70	20	DEID	
CCOc1ccc(CNC(=O)N2CCO[C@H](C)[C@@H]2C)cc1OC	160182268	JVGHWSKHTIHLGQ-QWHCGFSZSA-N	322.405	2.413	70	20	DEID	
CO[C@@H]1CCC[C@H]1NC(=O)NCCCN1CCc2ccccc21	160286292	ZEUORGRCFAMBNK-NVXWUHKLSA-N	317.433	2.306	70	20	DEID	
CC(=O)NCCCCCC(=O)N(C)c1ccc2c(c1)OCO2	160384918	KOSNHKDHTPAPAN-UHFFFAOYSA-N	306.362	2.075	70	20	DEID	
CC(C)(C)c1nsc(N2CCC[C@H]2CN2CCOCC2)n1	160407716	ORZZDATUSRIQEH-LBPRGKRZSA-N	310.467	2.137	70	20	DEID	
CC[C@H](C)[C@H](C)NCC(=O)NC[C@@H](c1ccccc1)N(C)C	160454841	GSPUXTJQLNESNY-ZOBUZTSGSA-N	305.466	2.430	70	20	DEID	
CCOC(=O)NCCC(=O)N[C@@H]1CCOC2(CCCCC2)C1	160693773	OUTYFHFGMZGMFM-CYBMUJFWSA-N	312.410	2.121	70	20	DEID	
CC[C@@H](C)[C@](C)(O)CNC(=O)Nc1cc(C(=O)OC)cs1	160894300	CYQABVRSLJQROH-YMTOWFKASA-N	314.407	2.453	70	20	DEID	
Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)[C@]2(F)CCNC2)cc1	159537681	BJOZDOMPDAUYHM-BQFCYCMXSA-N	320.408	2.281	70	20	DEID	
CC[C@H](c1ccncc1)N(C)S(=O)(=O)c1cnn(CC)c1	159740355	IXKCCORDNXAMES-CQSZACIVSA-N	308.407	2.070	70	20	DEID	
COCCN(C)CCN[C@@H](C)c1cccc(N2CCCC2=O)c1	159373712	HPTFNYOFQIFMOS-HNNXBMFYSA-N	319.449	2.042	70	20	DEID	
Cc1nc(NC(=O)[C@H]2COc3ccccc3O2)cc(C2CC2)n1	159966181	JIQCHWGAZHMCLK-OAHLLOKOSA-N	311.341	2.441	70	20	DEID	
COc1cc(C)ccc1NC(=O)c1ccc2[nH]c(=O)n(C)c2c1	159771080	ISCUMZJHTQTAKD-UHFFFAOYSA-N	311.341	2.436	70	20	DEID	
COc1cccc2c1CC[C@@H]2NC(=O)[C@H]1CCCN(C(C)=O)C1	159996694	HUDTVDZUFISBJP-BBRMVZONSA-N	316.401	2.057	70	20	DEID	
COCC1(C(=O)Nc2ccc(S(=O)(=O)F)cc2)CCC1	284133929	IAILXXGZJZVAQE-UHFFFAOYSA-N	301.339	2.100	70	20	DEID	
CCN(CC)C(=O)c1cc(I)ccc1O	217470971	OAFVORUKSCYYMM-UHFFFAOYSA-N	319.142	2.479	70	20	DEID	
C[C@@H]1CCC[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H]1C	1517958759	ZLLBERHRKNZOGB-GMTAPVOTSA-N	316.398	2.475	70	20	DEID	
O=S(=O)(Cc1cccc(F)c1)Nc1nnc(C2CC2)s1	161005225	ITMYTXAGEYFIOD-UHFFFAOYSA-N	313.379	2.497	70	20	DEID	
COC[C@H](NC(=O)NC[C@@H](C[C@H](C)O)c1ccccc1)C1CC1	161183221	PURUWTLIEDHLMW-XKQJLSEDSA-N	320.433	2.265	70	20	DEID	
Cc1conc1NC(=O)C(=O)N[C@H](Cc1ccccc1)C1CC1	161308604	XHFSSACWDCLTRT-CQSZACIVSA-N	313.357	2.059	70	20	DEID	
N[C@@H]1CCC[C@H](NC(=O)c2ccn(-c3ccccc3F)n2)C1	161505401	ODIGQQVCECGFLV-NEPJUHHUSA-N	302.353	2.011	70	20	DEID	
O=C(N[C@@H]1CCOC2(CCCC2)C1)[C@H]1CCCc2[nH]ncc21	160026591	YCKLPAPBXKHFKF-OLZOCXBDSA-N	303.406	2.438	70	20	DEID	
CC(C)OC(=O)CCCNC(=O)N1CCC[C@H](c2ccn[nH]2)C1	160231266	YCDINJKPSGBIMI-ZDUSSCGKSA-N	322.409	2.031	70	20	DEID	
CN(C[C@@H]1CCCCO1)C(=O)Nc1ccn(CC(F)(F)F)n1	160288656	QYMZDJJFNRJPSV-JTQLQIEISA-N	320.315	2.478	70	20	DEID	
CCCN1CCCN(C(=O)COc2cccc(OC)c2)CC1	160393100	IQZPOWOSWGULTG-UHFFFAOYSA-N	306.406	2.018	70	20	DEID	
COCCCCC(=O)Nc1ccc(CS(C)(=O)=O)c(F)c1	160503525	DUGPWFLHJXUZCK-UHFFFAOYSA-N	317.382	2.126	70	20	DEID	
CCCc1ccc(C(=O)NCC2CCN(CCO)CC2)cc1	160635116	FZYCQNZPCNKLTB-UHFFFAOYSA-N	304.434	2.073	70	20	DEID	
CCOCCC1(C(=O)NCCCN2CCCCCC2=O)CCC1	160710109	BIOMUOQAHLJXOZ-UHFFFAOYSA-N	324.465	2.492	70	20	DEID	
CC[C@H](CCO)CNC(=O)Nc1cc(C(=O)OC)cs1	160716080	LAONPMXONLEDDB-SECBINFHSA-N	300.380	2.065	70	20	DEID	
CCNC(=O)CN(CC)C(=O)C1(Cc2ccccc2)CCC1	160912491	ATHYTHASNRECNM-UHFFFAOYSA-N	302.418	2.384	70	20	DEID	
Cc1cc(C)cc(OCCC(=O)N(CC(N)=O)CC(C)C)c1	159735710	JIXVXNKBEKYFBG-UHFFFAOYSA-N	306.406	2.042	70	20	DEID	
COCc1cc(N[C@@H](CCO)CSC)nc(C(C)(C)C)n1	159739538	VPFWRUVBZIBLAV-NSHDSACASA-N	313.467	2.446	70	20	DEID	
CCN(CC)C(=O)CN(C)Cc1noc(C2CCCCC2)n1	159571532	TUTOYZNLOHHFLZ-UHFFFAOYSA-N	308.426	2.418	70	20	DEID	
CC[C@H](C)OCC(=O)NCc1ccc(CN2CCCC2=O)cc1	159973358	LKUYXMGAGHKTMP-AWEZNQCLSA-N	318.417	2.240	70	20	DEID	
COc1ccc(S(=O)(=O)NC[C@H](O)c2ccc(C)cc2)cc1	159397977	RJEWFNLMOJLIGA-INIZCTEOSA-N	321.398	2.016	70	20	DEID	
CC(C)(C)N1C[C@@H](NC(=O)Nc2cc(Cl)ccn2)CC1=O	217286272	QPDTVEKFUIBLQV-JTQLQIEISA-N	310.785	2.256	70	20	DEID	
CCO[C@H](CC)C(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	857674798	QJAZWPVMYDTJKC-SNVBAGLBSA-N	307.318	2.238	70	20	DEID	
CC[C@@H](C)OCC(=O)Nc1ccc(C)c(S(=O)(=O)F)c1	857675070	AACCHBGLFHDIPD-SNVBAGLBSA-N	303.355	2.407	70	20	DEID	
O=S(=O)(F)c1ccc(NC[C@H]2CC[C@H](C3CC3)O2)nc1	1551201824	CVUSCFLFXCYCJM-ZYHUDNBSSA-N	300.355	2.109	70	20	DEID	
Cc1ccc(S(=O)(=O)NC2(C)CCOCC2)c2cccnc12	161015422	ZAJFNWDAUCJPHB-UHFFFAOYSA-N	320.414	2.391	70	20	DEID	
CN(C)[C@@H]1CCC[C@@H](NC2CCN(CC(F)(F)F)CC2)C1	161022102	CYCFWKFBELUSQA-ZIAGYGMSSA-N	307.404	2.476	70	20	DEID	
CN1CCN(CCOC[C@@H]2CCCO2)[C@H](c2ccccc2)C1	161335349	WXZIFPZVZFDIQU-ROUUACIJSA-N	304.434	2.171	70	20	DEID	
CCCCOC(=O)CCN1CCC[C@H](c2nnc3n2CCC3)C1	161402736	IFGUECBCQIYCGT-AWEZNQCLSA-N	320.437	2.137	70	20	DEID	
Cc1cccc(OCCNC(=O)c2cnc3c(c2)ncn3C)c1	160018382	KYCIJDSWEKDMQX-UHFFFAOYSA-N	310.357	2.086	70	20	DEID	
CCc1n[nH]c(=O)c(CNC(=O)N2CCC[C@@H](CC)C2)c1CC	160292660	YREIKNBAYWGBMP-GFCCVEGCSA-N	320.437	2.226	70	20	DEID	
C[C@@H](CO)CNC(=O)CCc1nc(-c2ccc(Cl)cc2)no1	160442152	HZKRRVBQOZOKID-SNVBAGLBSA-N	323.780	2.067	70	20	DEID	
COC[C@H](NCc1ccccc1CN1CCOCC1)C(C)C	160486666	OPFXFUPQECQPJH-SFHVURJKSA-N	306.450	2.279	70	20	DEID	
CN[C@@H]1CCN(C(=O)C2(c3cccc(Br)c3)CC2)C1	160612954	QOHQBSGJHFDVFS-CYBMUJFWSA-N	323.234	2.301	70	20	DEID	
COC[C@H](O)CCNC(=O)C[C@@H](c1ccccc1)C(F)(F)F	160806446	QKPXKTXAAVVANY-OLZOCXBDSA-N	319.323	2.236	70	20	DEID	
CCN(Cc1ccoc1)C(=O)c1csc(S(C)(=O)=O)c1	160809464	XSBJBJVISVWQOA-UHFFFAOYSA-N	313.400	2.407	70	20	DEID	
C[C@H]1CC(=O)CC[C@@H]1C(=O)NCc1ccc(N2CCCC2)nc1	159753982	LXQMKFRYYSZYJR-BBRMVZONSA-N	315.417	2.303	70	20	DEID	
COc1cc(F)c([C@H](C)NC(=O)[C@H]2CCCNC2)cc1OC	159964426	RGKVKCKZIWRSCA-QWRGUYRKSA-N	310.369	2.020	70	20	DEID	
Cc1ccsc1CN1CCCC[C@@H]1CCNS(C)(=O)=O	159436374	SKDBETUWUBAYGI-CYBMUJFWSA-N	316.492	2.350	70	20	DEID	
NC(=O)[C@H]1CCCCN1C(=O)Cc1ccc(C(F)(F)F)cc1	159636257	CMIFQHMMUJKNMN-GFCCVEGCSA-N	314.307	2.114	70	20	DEID	
O=C(NCCNC(=O)C1(Cc2ccccc2)CCC1)C1CC1	159777426	DJRRAVKFGOXJCX-UHFFFAOYSA-N	300.402	2.042	70	20	DEID	
Cc1nn(CC(=O)N2CCC(NCC3CC3)CC2)c(C)c1Cl	159836601	PHUHJCYDCDXGEB-UHFFFAOYSA-N	324.856	2.144	70	20	DEID	
O=C(CCc1cccc(Cl)c1)NC[C@@H](O)CN1CCCCC1	159923836	CDUIYBFIEUJHAH-MRXNPFEDSA-N	324.852	2.236	70	20	DEID	
COc1cccc2c1CC[C@@H]2NC(=O)CCCNC(=O)C1CC1	159991194	ZNEHESXCXBVKBX-HNNXBMFYSA-N	316.401	2.105	70	20	DEID	
COCc1nc(C)c(C(=O)N(C[C@H]2CCOC2)C2CC2)s1	160071677	BNBWJVDVVXECRE-LLVKDONJSA-N	310.419	2.239	70	20	DEID	
NC(=O)N1CCC[C@@H](C(=O)N[C@H]2CCCc3sccc32)C1	160105231	AQVSYTWALMAOTD-PWSUYJOCSA-N	307.419	2.032	70	20	DEID	
C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1CCOC2(CCCC2)C1	160191565	DAFXRJPVKUSJFT-STQMWFEESA-N	310.438	2.145	70	20	DEID	
Cc1cc(C(=O)NC2CCN([C@@H]3CCCC[C@H]3O)CC2)c(C)o1	160216458	JWUKVAAOEQICOJ-IAGOWNOFSA-N	320.433	2.394	70	20	DEID	
O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1ccc2nncn2c1	160343342	FJYJMVALYRMAPD-CQSZACIVSA-N	314.389	2.341	70	20	DEID	
CC[C@@H](NC(=O)CCCCCNC(N)=O)c1c(C)noc1C	160587018	YNIIVKVKMVUHFP-GFCCVEGCSA-N	310.398	2.087	70	20	DEID	
Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2c2ccncc2)cn1	160766333	XDZUBWUQNFXZPZ-OAHLLOKOSA-N	310.357	2.087	70	20	DEID	
COC[C@H](O)CCNC(=O)c1ccc(SC(F)(F)F)cc1	161079420	QIICGRYUZFTPER-SNVBAGLBSA-N	323.336	2.426	70	20	DEID	
N[C@@H]1CCC[C@@H](NC(=O)c2cc(Br)ccc2O)C1	161197279	IRTXDGWDRVIVPY-NXEZZACHSA-N	313.195	2.154	70	20	DEID	
CC(C)C[C@@H](C)NC(=O)Nc1ccccc1OCCC(N)=O	161211709	PLZVIJAESIRVCQ-GFCCVEGCSA-N	307.394	2.497	70	20	DEID	
CSC1(CNC(=O)C[C@H](C)C2CCNCC2)CCOCC1	161213854	WIWLSLSWCBKKSE-ZDUSSCGKSA-N	314.495	2.041	70	20	DEID	
O=c1onc(-c2cccnc2)n1CCOc1ccccc1F	161317757	FDNMSMKULZELOB-UHFFFAOYSA-N	301.277	2.116	70	20	DEID	
CC(C)Oc1cncc(C(=O)N2CC[C@H](N3CCCC3)C2)c1	161330565	WDAKAXISZPIDIM-HNNXBMFYSA-N	303.406	2.179	70	20	DEID	
CC[C@@](C)(OC)C(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	857672933	MOTNHIARLANFSF-GFCCVEGCSA-N	307.318	2.238	70	20	DEID	
C[C@H]1C[C@@H](C)O[C@@H]1C(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	857673235	WMOOWEDWGXFSSD-SXMVTHIZSA-N	319.329	2.236	70	20	DEID	
CO[C@H]1CCC[C@H]1C(=O)Nc1ccc(C)c(S(=O)(=O)F)c1	1121227026	OBUDEJXYNCWGJV-NEPJUHHUSA-N	315.366	2.407	70	20	DEID	
CCC1CCN([C@H]2CC(=O)N(c3cccc(O)c3)C2=O)CC1	218295607	BOWRPJLXTWRMLH-HNNXBMFYSA-N	302.374	2.146	70	20	DEID	
C[C@H]1C[C@@H](C)O[C@H]1C(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	857673233	WMOOWEDWGXFSSD-JOAULVNJSA-N	319.329	2.236	70	20	DEID	
COc1cccc(CNC(=O)c2ccc(S(=O)(=O)F)cc2)c1	864238746	RPFKRWKBEOWXCQ-UHFFFAOYSA-N	323.345	2.283	70	20	DEID	
C=C(C)CN(C)c1ccc([N+](=O)[O-])cc1CS(=O)(=O)F	882165898	FVJKYDXKRDXHSS-UHFFFAOYSA-N	302.327	2.406	70	20	DEID	
CS[C@H]1CC[C@@H](NC(=O)c2cccc(S(=O)(=O)F)c2)C1	1121035593	NHABUTQNWXZKNA-MNOVXSKESA-N	317.407	2.359	70	20	DEID	
COCc1cccc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)c1	1350747674	OTJRUITXCHWRFQ-UHFFFAOYSA-N	312.322	2.072	70	20	DEID	
N[C@@H]1CCC[C@H](NC(=O)c2ccc(NC(=O)C3CC3)cc2)C1	161356611	KDZPHIJAWNWDPR-HIFRSBDPSA-N	301.390	2.035	70	20	DEID	
CS(=O)(=O)CCN(C(=O)Nc1ccc2c(c1)CCC2)C1CC1	160088710	PRJOHCYSLQZBDA-UHFFFAOYSA-N	322.430	2.216	70	20	DEID	
O=C(N[C@H]1CCO[C@H](C2CC2)C1)N1CC[C@H](CN2CCCC2)C1	160250271	SYPAVROXHCKDTI-PVAVHDDUSA-N	321.465	2.071	70	20	DEID	
COc1cccc([C@H](CNC(=O)C2=C(C)OCCC2)N(C)C)c1	160371633	RYRWYHDBGXEVGV-KRWDZBQOSA-N	318.417	2.499	70	20	DEID	
CN(CC(F)F)C(=O)C(=O)Nc1cccnc1-c1ccccc1	160490605	WLVTYZCNVMKVCU-UHFFFAOYSA-N	319.311	2.411	70	20	DEID	
NC(=O)CC1CCN(C(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)CC1	160874120	VWFACGNMORDSEP-OCCSQVGLSA-N	322.355	2.182	70	20	DEID	
Cc1ccc([C@@H]2COCCN2C(=O)NCCc2cscn2)o1	159401478	NSZMDLGFHLUMPX-ZDUSSCGKSA-N	321.402	2.370	70	20	DEID	
CCOC(=O)c1ccc(CNC(=O)c2cccc3[nH]cnc23)o1	159822294	QHQIVDFHUMIVMX-UHFFFAOYSA-N	313.313	2.263	70	20	DEID	
Cc1noc(Cl)c1CC(=O)N1CCN(C2CCCC2)CC1	159827342	FECYANHXWKSWBB-UHFFFAOYSA-N	311.813	2.266	70	20	DEID	
CCCC[C@H](NC(=O)NC[C@H]1CCCS1(=O)=O)C1CCC1	159649342	GRTPVISVDQTKGG-KGLIPLIRSA-N	316.467	2.222	70	20	DEID	
C[C@H](c1ccccc1)[C@](C)(O)C(=O)NC[C@H](O)c1ccsc1	159518562	QDSYUZXVGCHALX-PVUWLOKVSA-N	319.426	2.452	70	20	DEID	
CS[C@@H]1CCC[C@@H](NC(=O)C2(N)Cc3ccccc3C2)C1	159571377	WCKBNIBNGHSIQY-HUUCEWRRSA-N	304.459	2.273	70	20	DEID	
CCOC(=O)CCc1ccc(NC(=O)NC[C@@H]2CCOC2)cc1	159575471	ARTWBVNZRGQWGK-AWEZNQCLSA-N	320.389	2.340	70	20	DEID	
Cc1cc(NC(=O)NCC2(CO)COC2)ccc1C(F)(F)F	159399838	DSAJEOOMFNYWCW-UHFFFAOYSA-N	318.295	2.144	70	20	DEID	
CCOC(=O)CCc1ccc(NC(=O)N2CCC[C@H]2CO)cc1	159597412	IBPNUGWNRFHLFC-HNNXBMFYSA-N	320.389	2.171	70	20	DEID	
CC[C@@H](C)OCC(=O)Nc1ccccc1N1CCC(O)CC1	159793549	CNYQGSOOBVYXBQ-CYBMUJFWSA-N	306.406	2.401	70	20	DEID	
CCNC(=O)CNCc1ccc(Br)c2cccnc12	160312574	HAPDUQUFNMGBCT-UHFFFAOYSA-N	322.206	2.223	70	20	DEID	
CC[C@H](C)[C@H](OC)C(=O)Nc1cccc(S(=O)(=O)F)c1	460088051	BWLFLGORZQETDK-CABZTGNLSA-N	303.355	2.344	70	20	DEID	
N#CCCCNC(=O)c1cc(S(=O)(=O)F)ccc1Cl	1337477548	SYHUODMUFVAOJM-UHFFFAOYSA-N	304.730	2.032	70	20	DEID	
CCOC(=O)CCN(C(=O)c1ccc(CN(C)C)cc1)C1CC1	161243231	CVXNNDQDYFBBMD-UHFFFAOYSA-N	318.417	2.306	70	20	DEID	
CCN(CC)CCCNS(=O)(=O)Cc1c(F)cccc1F	160014494	ZXKUPZFDDLWZSV-UHFFFAOYSA-N	320.405	2.116	70	20	DEID	
Cc1cc(C[C@@H](C)NC(=O)c2csc([C@@H]3CCCO3)n2)n[nH]1	160158287	LYBQXQBJXJXCAN-RNCFNFMXSA-N	320.418	2.387	70	20	DEID	
CCc1nnsc1C(=O)NC[C@@H](C[C@H](C)O)c1ccccc1	160182760	QYSCRSCAKAINEX-WCQYABFASA-N	319.430	2.385	70	20	DEID	
N[C@@H]1CCN(C(=O)c2cccc(NC(=O)c3cccs3)c2)C1	160300413	IKDXRUDRBDIKAM-GFCCVEGCSA-N	315.398	2.174	70	20	DEID	
CO[C@@H](C)C(=O)Nc1cccc(NC(=O)c2cc(C)ncn2)c1	160357325	WEGMQTBLSDPJEL-NSHDSACASA-N	314.345	2.011	70	20	DEID	
O=C(CCC1CCCC1)CN1C(=O)NC2(CCSCC2)C1=O	160390176	VNJRFGVSSKOALR-UHFFFAOYSA-N	324.446	2.344	70	20	DEID	
Cc1nc(CN2CCN(CCCN3CCCCC3)CC2)cs1	160426217	AHYLLRQRKCMXMA-UHFFFAOYSA-N	322.522	2.445	70	20	DEID	
CC(C)(C)CCCC(=O)NC[C@H]1CCC[C@@H]1NS(C)(=O)=O	160551928	VKKWPIKMNWQUNC-OLZOCXBDSA-N	318.483	2.037	70	20	DEID	
CCCSCC(=O)Nc1ccc(CS(C)(=O)=O)c(F)c1	160616449	XQYBHSMYOSRSBL-UHFFFAOYSA-N	319.423	2.452	70	20	DEID	
O=C1CC[C@@H]2CN(C(=O)Nc3cccc(Cl)c3)CC[C@@H]2N1	160700381	HFXLURCSWQGZNC-MFKMUULPSA-N	307.781	2.472	70	20	DEID	
Cc1cccc(OCc2nnc(SCc3nncn3C)o2)c1	160916069	JDMCXGSDUAAHRN-UHFFFAOYSA-N	317.374	2.378	70	20	DEID	
Cc1conc1NC(=O)C(=O)NCCCCCc1ccccc1	160996489	DAFXUVAWSBFGKO-UHFFFAOYSA-N	315.373	2.451	70	20	DEID	
CCN1CCCN(C(=O)NCc2ccc(OC(C)C)nc2)CC1	159642034	HGXDAHVPUDLDTC-UHFFFAOYSA-N	320.437	2.106	70	20	DEID	
COc1ccc(N(C)C(=O)[C@@H](C(C)C)N2CCCC2=O)cc1F	159776453	LHMXPSMHCCRREZ-MRXNPFEDSA-N	322.380	2.444	70	20	DEID	
CCC[C@H](CC)NC(=O)N1CCN(Cc2ccccn2)CC1	159796159	PXYJPPNTUIGYDN-HNNXBMFYSA-N	304.438	2.488	70	20	DEID	
O=C(NCc1ccc(CO)cc1)Nc1ccc2c(c1)OCO2	217310468	VBOUGSDJNABNNA-UHFFFAOYSA-N	300.314	2.229	70	20	DEID	
CO[C@](C)(C(=O)Nc1ccc(S(=O)(=O)F)cc1)C1CC1	291670855	IIZULCZRAJFXOM-ZDUSSCGKSA-N	301.339	2.098	70	20	DEID	
Cc1ccc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc1S(=O)(=O)F	857673858	LYMBZGLYBFUGGO-UTUOFQBUSA-N	313.350	2.159	70	20	DEID	
C[C@H]1CC[C@H](COC(=O)c2cccc(S(=O)(=O)F)c2)O1	1334329358	FCCVGGVDCQRBKG-GXSJLCMTSA-N	302.323	2.069	70	20	DEID	
CN(CCCF)C(=O)c1cc(S(=O)(=O)F)ccc1Cl	1355034796	HFNPVOXBHYFDTR-UHFFFAOYSA-N	311.737	2.430	70	20	DEID	
Cc1ccc(CN2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1C	161015953	FLMUXGCQIOYCDT-KRWDZBQOSA-N	302.418	2.127	70	20	DEID	
CCOC(=O)[C@H]1CCCCN1Cc1ccccc1C(=O)OC	161245447	YTYHEQWONQZQPC-OAHLLOKOSA-N	305.374	2.391	70	20	DEID	
C[C@H]1OCCN(C(=O)NCCCOCCc2ccccc2)[C@@H]1C	161472654	YJOPKNLGNFNEJA-HZPDHXFCSA-N	320.433	2.455	70	20	DEID	
COC(=O)c1ccc(NC[C@@](C)(O)c2ccccc2Cl)nn1	160200119	SFKPDQOLEVRTCM-OAHLLOKOSA-N	321.764	2.236	70	20	DEID	
Cc1noc(CCC(=O)N[C@H]2CCOC3(CCCCC3)C2)n1	160298653	HMKANIOVOSPMMH-ZDUSSCGKSA-N	307.394	2.309	70	20	DEID	
Cn1ccnc1-c1cccc(NC(=O)c2cccc(=O)n2C)c1	160322365	TYSRVAIWVRYBNF-UHFFFAOYSA-N	308.341	2.038	70	20	DEID	
Cc1cccc(N(C)CCN2C(=O)NC3(CCCC3)C2=O)c1	160325850	AXQQGAYDXODQOE-UHFFFAOYSA-N	301.390	2.296	70	20	DEID	
CN[C@@H]1CCN(C(=O)/C=C/c2c(C)nn(-c3ccccc3)c2C)C1	160657560	FFOGPRQNAKVFIT-ZNFPLGDCSA-N	324.428	2.323	70	20	DEID	
C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)c1cc(N(C)C)ccn1	160695977	XQCDXYVCAUUROY-SUMWQHHRSA-N	313.401	2.390	70	20	DEID	
CC(C)(C)c1nc(CCNC(=O)c2cc[nH]c(=O)c2)cs1	160697543	UDSAODICMWLATM-UHFFFAOYSA-N	305.403	2.101	70	20	DEID	
Cc1nc([C@H](NC(=O)[C@H]2OCC[C@H]2C)c2ccccc2F)no1	160862215	SJSBIRQKIQPQCU-FZQKWOKYSA-N	319.336	2.148	70	20	DEID	
C[C@H](C(=O)NCCCOC1CCOCC1)[C@H](N)c1ccccc1	160941205	WDAQBEJDJAYFJX-YOEHRIQHSA-N	320.433	2.024	70	20	DEID	
C[C@H]1CCCC[C@H]1OCCSc1nnc(Cn2cncn2)o1	160977932	RSTQLVVDZBDOKI-NWDGAFQWSA-N	323.422	2.397	70	20	DEID	
CCN1CCCN(C(=O)NCCc2ccc(F)cc2F)CC1	159853177	MIJIMAJJYDPTSN-UHFFFAOYSA-N	311.376	2.245	70	20	DEID	
CC(=O)N1CC[C@@H](NC(=O)CCSc2ccccc2F)C1	159698495	BBQUSRMWYZRDFU-GFCCVEGCSA-N	310.394	2.045	70	20	DEID	
C[C@H](NC(=O)N1CCC[C@@](C)(O)C1)c1nc2ccccc2[nH]1	159912064	XZZLBPXCXSEIGB-MEDUHNTESA-N	302.378	2.180	70	20	DEID	
CC(=O)N1CC[C@H](NC(=O)CCCc2ccc(F)c(F)c2)C1	159758260	LFCZRXCEJPSJBN-ZDUSSCGKSA-N	310.344	2.025	70	20	DEID	
Cc1c(/C=C/C(=O)NCCO[C@H]2CCCC[C@H]2C)cnn1C	159384613	BKVFLUVSSFEMGZ-LKVBTMTGSA-N	305.422	2.453	70	20	DEID	
CC(C)OC1CCC(NC(=O)[C@@H]2CCn3cncc3C2)CC1	159573340	LTIYBVBJZMHKKV-VQCLRJIVSA-N	305.422	2.298	70	20	DEID	
C[C@H](C(=O)N1CCc2ccccc2C1)N(C)C[C@@H]1CCC[C@@H]1O	159773422	LDJGIVLNYFJOSU-JLSDUUJJSA-N	316.445	2.053	70	20	DEID	
CSCCN(C)C(=O)NCCc1nnc(-c2ccccc2)o1	159994841	YBLYHGFXPCTLBV-UHFFFAOYSA-N	320.418	2.284	70	20	DEID	
CC(C)[C@@H]1C[C@H]1NC(=O)CCc1ccc(S(=O)(=O)F)cc1	1339072243	KKDWWXUNKJAPES-UONOGXRCSA-N	313.394	2.438	70	20	DEID	
N#CC1(N(C(=O)c2cccc(S(=O)(=O)F)c2)C2CC2)CCC1	1337525932	VVUHMUFUZNSQOQ-UHFFFAOYSA-N	322.361	2.396	70	20	DEID	
CC[C@@H](C)OCC(=O)N[C@@H](CN1CCCC1=O)c1ccccc1	161009507	NXMQGFLUFRMNEN-ZBFHGGJFSA-N	318.417	2.281	70	20	DEID	
CCO[C@H]1CCCN(C(=O)c2ccc(C(=O)NC3CC3)cc2)C1	161099119	REPDFKJTLDTBOB-INIZCTEOSA-N	316.401	2.220	70	20	DEID	
CCOCCC1(CNC(=O)NC[C@@H](O)c2ccccc2F)CC1	161449209	SGPBHPOPGXBRFH-OAHLLOKOSA-N	324.396	2.365	70	20	DEID	
CC(C)CC(=O)NCCC(=O)Nc1ccccc1-n1ccnc1	160089699	VLJKOISKJMBRCR-UHFFFAOYSA-N	314.389	2.363	70	20	DEID	
CCN(CC)[C@H](CNC(=O)N1CCC[C@](C)(O)C1)CC(C)C	160138480	RWFDCYYACQLBOE-RDJZCZTQSA-N	313.486	2.299	70	20	DEID	
CC[C@H](O)CCNC(=O)NCCCN(CC)c1ccccc1	160806554	VKJOGUZHDXJTPU-INIZCTEOSA-N	307.438	2.363	70	20	DEID	
Cc1ccc(NC(=O)C(=O)N[C@@H](C)CCc2ccccc2)cn1	159728169	XVBWZPUGPGKJLU-AWEZNQCLSA-N	311.385	2.466	70	20	DEID	
CCN1CCCN(C(=O)N[C@H](COC)c2ccc(C)o2)CC1	159939196	VJCXZZMQOOYGQV-CQSZACIVSA-N	309.410	2.013	70	20	DEID	
Cc1ccc(CC(=O)N(C)CC(C)(C)CN2CCOCC2)cc1	159953826	JTQQLPSIIFAVBQ-UHFFFAOYSA-N	318.461	2.354	70	20	DEID	
CCc1ccc([C@H](CO)NC(=O)N[C@H](C)C2CCOCC2)cc1	159961632	SPIGLTJJIIRSHK-DYVFJYSZSA-N	320.433	2.397	70	20	DEID	
C[C@@H]1C[C@@H](C)[C@H](C(=O)Nc2cccc(S(=O)(=O)F)c2)O1	283603247	TWOJKQUCFUFNMJ-KBVBSXBZSA-N	301.339	2.097	70	20	DEID	
COc1ccc(N(C)C(=O)c2cccc(S(=O)(=O)F)c2)cn1	1120944294	JLVVSLKMFYWNQZ-UHFFFAOYSA-N	324.333	2.025	70	20	DEID	
CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cccc(-n3ccnc3)c2)C1	161392666	DZXSNTNWTKDBQY-PBHICJAKSA-N	312.417	2.331	70	20	DEID	
Cc1cc(C(=O)NC(C)C)ccc1NC(=O)N[C@]1(C)CCOC1	161505886	AEYRVQCFHPXSRX-QGZVFWFLSA-N	319.405	2.434	70	20	DEID	
CC(C)(N)CNC(=O)CCCc1nc(-c2ccc(F)cc2)no1	160045072	HOXJGZUYPXORPN-UHFFFAOYSA-N	320.368	2.052	70	20	DEID	
Cn1cnc2cc(C(=O)N[C@H]3C[C@H]3c3cccc(F)c3)cnc21	160255815	ZTGXAOMVEWBDDR-KBPBESRZSA-N	310.332	2.393	70	20	DEID	
COCCOc1cccc(C(=O)N(C)Cc2cccn2C)c1	160551579	SOJFBXKVJMOAIW-UHFFFAOYSA-N	302.374	2.323	70	20	DEID	
CC(C)(C)CCCC(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O	160552038	VKKWPIKMNWQUNC-QWHCGFSZSA-N	318.483	2.037	70	20	DEID	
Cc1ccc(F)c(N2CCC[C@H](N(C)C[C@H](O)C3CC3)C2=O)c1	160752150	FKQMRWMJAOBUMJ-RDJZCZTQSA-N	320.408	2.332	70	20	DEID	
CC[C@H](NC(=O)c1cnc(C(F)(F)F)nc1)[C@H]1CCCO1	159415670	NRNNFABEIKVZRS-VHSXEESVSA-N	303.284	2.183	70	20	DEID	
Cc1nc2ccccn2c1CN1CCC(N2CCCC2=O)CC1	159860666	OOLLYPPLGPFEBZ-UHFFFAOYSA-N	312.417	2.230	70	20	DEID	
C[C@H](c1ccccc1)[C@@](C)(O)C(=O)NC[C@H](O)c1ccsc1	159518806	QDSYUZXVGCHALX-ISTRZQFTSA-N	319.426	2.452	70	20	DEID	
O=C(COCC(F)(F)F)NCCc1cc2ccccc2[nH]1	159544614	SESNIEJDVBQHKO-UHFFFAOYSA-N	300.280	2.406	70	20	DEID	
COc1c(F)cc(NC(=O)C(=O)N2CCC3(CCC3)C2)cc1F	159376069	IZUUNPXCHUMIMQ-UHFFFAOYSA-N	324.327	2.315	70	20	DEID	
C[C@H](O)CN(C)CC(=O)Nc1nc(-c2cccs2)cs1	159383839	GSDYWJMXIPWNLJ-VIFPVBQESA-N	311.432	2.123	70	20	DEID	
Cc1cc(C)c(CNC(=O)c2cccc(S(=O)(=O)F)c2)cn1	1517957245	QOZPIEQYBJTHQY-UHFFFAOYSA-N	322.361	2.287	70	20	DEID	
O=C(Nc1cccc2cccnc12)c1cc(S(=O)(=O)F)c[nH]1	1527342001	WEXYYFGPGNCFTJ-UHFFFAOYSA-N	319.317	2.473	70	20	DEID	
O=S(=O)(F)c1ccc(NC[C@@]23CCC[C@@H]2OCC3)nc1	1551190418	AEDIFXNFFUCESS-AAEUAGOBSA-N	300.355	2.111	70	20	DEID	
Cc1noc(NC(=O)[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1	161245735	FLLRIZOECVUNES-WDEREUQCSA-N	324.381	2.400	70	20	DEID	
COC(=O)c1cccc(CNc2cc(=O)n3ccccc3n2)c1	161300595	AUJFBNXKOLOEBW-UHFFFAOYSA-N	309.325	2.093	70	20	DEID	
COc1ccccc1N1CC[C@H](NC(=O)C[C@H]2C=CCC2)C1=O	161340945	ZOYSOKJQRICHBU-KBPBESRZSA-N	314.385	2.273	70	20	DEID	
CN(CCc1ccccn1)C(=O)c1ccc(C(=O)NC2CC2)cc1	161357338	SPSQPMIBJFQACE-UHFFFAOYSA-N	323.396	2.289	70	20	DEID	
CCN(CC1CCN(c2ccccn2)CC1)[C@@H](C)C(=O)OC	160003784	JHFQMZUZDHQTCH-AWEZNQCLSA-N	305.422	2.181	70	20	DEID	
CCc1c(C(=O)NCCCN)cnn1-c1cccc(Cl)c1	160004224	XFDQFDCYBNSOSB-UHFFFAOYSA-N	306.797	2.167	70	20	DEID	
FC(F)c1nnc2ccc(N[C@H]3CCO[C@H](C4CC4)C3)nn12	160287252	WSNATFWKZDUKMX-UWVGGRQHSA-N	309.320	2.431	70	20	DEID	
CCc1n[nH]c(=O)c(CNC(=O)N(C)CC2CCCC2)c1CC	160395373	VOFRNHPJGBVCHQ-UHFFFAOYSA-N	320.437	2.226	70	20	DEID	
O=C1CCCC[C@@H]1[C@@H]1COCCN1C(=O)c1ccc(F)cc1	160496559	CGSDDMLDQZVFIB-CABCVRRESA-N	305.349	2.426	70	20	DEID	
Cc1noc(C)c1CCC(=O)NC[C@H]1CCCN1CC(C)C	160501452	BYOHDAAPBPCWNP-OAHLLOKOSA-N	307.438	2.461	70	20	DEID	
CC[C@H](O)CCNC(=O)NC[C@@H](c1ccco1)N1CCCCC1	160690721	SPLKHEFDRYXMTJ-GJZGRUSLSA-N	323.437	2.267	70	20	DEID	
CC[C@H](C)[C@H](O)CNC(=O)NC[C@@H]1CCCCN1CC(C)C	160953074	YZRFUSVLYSUDPJ-HRCADAONSA-N	313.486	2.203	70	20	DEID	
COc1cccc([C@H](C)N[C@H](C)C(=O)NCC(F)(F)F)c1	159838540	UKRWFHDKJBAFPM-VHSXEESVSA-N	304.312	2.413	70	20	DEID	
CC(C)[C@H](C(=O)NCCNC1CCCCCC1)N1CCCC1=O	159704834	WAMAMQMRCOOCKN-QGZVFWFLSA-N	323.481	2.062	70	20	DEID	
O=C(NCC(=O)N1CCCCC1)c1cc(Cl)nc(Cl)c1	159400060	NHLOZFUHPKMOSY-UHFFFAOYSA-N	316.188	2.131	70	20	DEID	
COC1(CCNC(=O)c2ccc(S(=O)(=O)F)cc2)CCC1	864242226	YOWFIGGLDFMADK-UHFFFAOYSA-N	315.366	2.034	70	20	DEID	
O=C(NCc1cccc(Cl)c1)c1cc(S(=O)(=O)F)c[nH]1	1336407503	XIVVBLJTZAQTQS-UHFFFAOYSA-N	316.741	2.256	70	20	DEID	
O=C(CCc1ccc(S(=O)(=O)F)cc1)N[C@H]1CC12CCC2	1337510180	QAXKDHZSESZRCA-ZDUSSCGKSA-N	311.378	2.336	70	20	DEID	
CO[C@H]1C[C@H](N(C)c2ccc(S(=O)(=O)F)cn2)C12CCC2	1550625327	CFFAYTXZWGXXMP-RYUDHWBXSA-N	314.382	2.134	70	20	DEID	
O=C(Nc1cnn(CC(F)(F)F)c1)[C@@H]1C[C@@H]2CCCC[C@@H]2N1	161190857	SQVHUISQDPGJSL-DLOVCJGASA-N	316.327	2.305	70	20	DEID	
Cc1ccccc1[C@@H]1CN(C(=O)C[C@H]2COC(=O)C2)[C@@H](C)CO1	161367446	LSYKJWFAINDNCB-LZWOXQAQSA-N	317.385	2.237	70	20	DEID	
Cn1cccc(NC(=O)N2CCc3cccc(F)c3C2)c1=O	161470155	VXEGSYWPJPXANW-UHFFFAOYSA-N	301.321	2.115	70	20	DEID	
CCOC(=O)CCc1ccc(NC(=O)[C@@H](N)C(C)(C)C)cc1	160492554	ZIRJJRNASGMMMR-OAHLLOKOSA-N	306.406	2.494	70	20	DEID	
COc1cc(/C=C/C(=O)N[C@H](CCO)C(C)C)cc(OC)c1	160622224	UAPUUUPNALZXQB-SQRWCISFSA-N	307.390	2.240	70	20	DEID	
CCS[C@@H]1CCC[C@H]1NC(=O)c1ccc2[nH]c(=O)n(C)c2c1	160661179	GUAFNIZYQKCEPX-TZMCWYRMSA-N	319.430	2.271	70	20	DEID	
CC[C@@H](O)CCNC(=O)NCCCN(CC)c1ccccc1	160806710	VKJOGUZHDXJTPU-MRXNPFEDSA-N	307.438	2.363	70	20	DEID	
CC(C)C[C@H](C)NC(=O)N1CCN(Cc2ccccn2)CC1	160900844	RJXBBJYJGZUKNQ-HNNXBMFYSA-N	304.438	2.343	70	20	DEID	
C[C@H](N[C@H](C)c1nnnn1-c1ccccc1)C(=O)OC(C)(C)C	160932983	NHCHFOJQCMWKOZ-NEPJUHHUSA-N	317.393	2.043	70	20	DEID	
Cc1nn(CC(C)C)c(C)c1CCC(=O)NC[C@H](C)CCO	160957511	NGILVYMUOIRCLM-CYBMUJFWSA-N	309.454	2.223	70	20	DEID	
COC[C@@](C)(CC(=O)OC)NC(=O)c1ccc(F)c(Cl)c1	160996774	OLBQOQOVJGRVEY-CQSZACIVSA-N	317.744	2.177	70	20	DEID	
CC(=O)NC[C@H]1CCCN(C(=O)Nc2ccnc(C)c2Cl)C1	159600572	FJMUAKGBIHZJHZ-GFCCVEGCSA-N	324.812	2.423	70	20	DEID	
COCCN(CC(C)C)C(=O)Nc1ccnn1C[C@H]1CCOC1	159616267	UUEUPVIFGNSALF-CQSZACIVSA-N	324.425	2.056	70	20	DEID	
C[C@H](CCn1cccn1)Nc1ccc(CCS(C)(=O)=O)cc1	159481952	IQINRNBIQYCMPJ-CQSZACIVSA-N	321.446	2.361	70	20	DEID	
Cn1c(SCCOCCO)nnc1-c1cccc(Cl)c1	159739827	OQOORGIUKRPJSE-UHFFFAOYSA-N	313.810	2.237	70	20	DEID	
CCN(CC)C(=O)[C@H](C)Sc1nnc(-c2ccccn2)n1C	159545465	YRZOLFOGOKGQQM-NSHDSACASA-N	319.434	2.226	70	20	DEID	
CCc1nc(CCNC(=O)N2CCCN(CC)CC2)sc1C	159797784	SRFVRCINLCKHDJ-UHFFFAOYSA-N	324.494	2.294	70	20	DEID	
COc1ccc(C)cc1-n1nnnc1SCc1ccnn1C	161215098	FUKHUPSDWNIYLC-UHFFFAOYSA-N	316.390	2.005	70	20	DEID	
CC1(NC(=O)NCCCS(=O)(=O)c2ccccc2)CCC1	160131348	NQJWJJJJCPNRQM-UHFFFAOYSA-N	310.419	2.092	70	20	DEID	
CC(C)C(=O)N1CCC[C@H]1C(=O)N(C)c1ccc2c(c1)OCO2	160254630	VBUHYBOPLJRCRH-ZDUSSCGKSA-N	318.373	2.025	70	20	DEID	
C[C@@H](CN1CCCCC1)NC(=O)N(CCN(C)C)C1CCCC1	160304190	NAKHFUKZOHSCPW-INIZCTEOSA-N	324.513	2.377	70	20	DEID	
COC(=O)c1csc(NC(=O)C(=O)N(C)C2CCCCC2)c1	160448999	OQKDQIMMMMFIQE-UHFFFAOYSA-N	324.402	2.264	70	20	DEID	
CSc1nc(C(=O)N[C@H](CCO)C(C)C)c2ccccn12	160613533	JMDJFMUIIOBUGO-LLVKDONJSA-N	307.419	2.193	70	20	DEID	
Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N(C)Cc1cccn1C	160657728	HSROGXZUBPVPQB-GFCCVEGCSA-N	302.422	2.213	70	20	DEID	
CCNC(=O)c1ccc(NC(=O)N2CCC[C@H]2C[C@@H](C)O)cc1	160784694	FFNXJMKONZOFOC-DOMZBBRYSA-N	319.405	2.204	70	20	DEID	
CN(C)S(=O)(=O)NCC1(c2c(F)cccc2F)CCCC1	159816479	UBWQNEBZKUATGD-UHFFFAOYSA-N	318.389	2.173	70	20	DEID	
CCc1nn(C)c(OC)c1CNC(=O)c1cc(C)nc(Cl)c1	159838370	MKLMJQJEKBCAQL-UHFFFAOYSA-N	322.796	2.278	70	20	DEID	
CNS(=O)(=O)c1ccc([C@@H](C)N[C@@H]2CCCSC2)cc1	159648164	MDLCDSVYQOAOSN-DGCLKSJQSA-N	314.476	2.141	70	20	DEID	
C[C@@H](CCc1cccn1C)NC(=O)N(C)CC1CCOCC1	159466071	SPEAVALKVKXFIC-AWEZNQCLSA-N	307.438	2.414	70	20	DEID	
CC(=O)N1CC[C@H](NC(=O)CC(C)(C)c2ccc(C)cc2)C1	159687037	MCZYHQMTFCJIJN-INIZCTEOSA-N	302.418	2.400	70	20	DEID	
CCCNC(=O)CCNc1cc(COC)nc(C(C)(C)C)n1	159734442	LSVNLNKDUAPGBR-UHFFFAOYSA-N	308.426	2.249	70	20	DEID	
CCc1cccc2c(CCNC(=O)[C@@H]3CSCN3)c[nH]c12	159369910	JURFGVFSWGRWNV-AWEZNQCLSA-N	303.431	2.052	70	20	DEID	
CC1CCN([C@@H](C)CNC(=O)NCc2ncccc2F)CC1	159785168	NURQQZXPRLCJSC-ZDUSSCGKSA-N	308.401	2.140	70	20	DEID	
CC(=O)N1CC[C@H](NC(=O)CCCCc2ccc(C)cc2)C1	159520759	PBRYPHNARLKTFX-KRWDZBQOSA-N	302.418	2.445	70	20	DEID	
CCN1CCC[C@@H]1CNC(=O)CCc1nnc(C2CCCC2)o1	159568831	WJNZNZJTFNREGE-CQSZACIVSA-N	320.437	2.260	70	20	DEID	
CCN(Cc1cccc(F)c1)C(=O)CN(C)C[C@H]1CCC[C@@H]1O	159696611	JIRCLNUBTOEHII-WBVHZDCISA-N	322.424	2.267	70	20	DEID	
Cc1noc(C)c1C[C@H](C)NS(=O)(=O)c1cccc(F)c1	159862038	ZISFFQBTYXHNNI-VIFPVBQESA-N	312.366	2.340	70	20	DEID	
Cc1nn(C)c(C)c1[C@@H](OC(=O)c1cnsn1)C(F)(F)F	159943785	IJTKNHLMIVDZGC-SECBINFHSA-N	320.296	2.349	70	20	DEID	
COCCOCCNC(=O)CCn1ccc2cc(Cl)ccc21	160039625	OBJWFJXBTYNXCJ-UHFFFAOYSA-N	324.808	2.464	70	20	DEID	
CC(C)OCCNC[C@@H](O)COCc1ccc(Cl)cc1	160218569	WGOWHJGBKNTJPO-OAHLLOKOSA-N	301.814	2.232	70	20	DEID	
CN(C[C@H]1CCCCO1)C(=O)Nc1ccn(CC(F)(F)F)n1	160288774	QYMZDJJFNRJPSV-SNVBAGLBSA-N	320.315	2.478	70	20	DEID	
O=C([C@@H]1CCCCO1)N1CCC[C@@H](NCc2ccccc2)C1	160378566	MEHZQZAMWAUCKX-SJORKVTESA-N	302.418	2.336	70	20	DEID	
CCCC(=O)N1CCC[C@@H]1C(=O)NCC1(CCOCC)CCC1	160538712	VYKWUAHIGSFGSV-OAHLLOKOSA-N	324.465	2.491	70	20	DEID	
CN[C@@H]1CCN(C(=O)CS[C@H](C)c2nc3ccccc3[nH]2)C1	160553019	DKDQIKGFWASOIQ-VXGBXAGGSA-N	318.446	2.177	70	20	DEID	
C[C@@]1(O)CCCN(C(=O)NCCCOCCc2ccccc2)C1	160699390	HNNZLNZUAWHHSG-GOSISDBHSA-N	320.433	2.192	70	20	DEID	
COCCOC[C@H]1CCN(Cc2c(C)nc3ccccn23)C1	160849578	JGZOSHYWFXZCEW-HNNXBMFYSA-N	303.406	2.128	70	20	DEID	
CC(C)Oc1ccc(CNC(=O)N2CCO[C@@H](C)[C@H]2C)cn1	160857036	YCAAKNHLYWMYBK-OLZOCXBDSA-N	307.394	2.188	70	20	DEID	
COC1(CC(=O)Nc2ccc(S(=O)(=O)F)cc2)CCC1	276755395	HBNYPTMQOXNRHG-UHFFFAOYSA-N	301.339	2.243	70	20	DEID	
Cc1oc(C#N)cc1C(=O)Nc1cccc(S(=O)(=O)F)c1	460092302	LHURJEUWKWVHMW-UHFFFAOYSA-N	308.290	2.370	70	20	DEID	
CSC1(CNC(=O)c2ccc(S(=O)(=O)F)cc2)CCC1	865210548	JJNZTZFEMNCMAA-UHFFFAOYSA-N	317.407	2.360	70	20	DEID	
CC(C)(NC(=O)c1cc(S(=O)(=O)F)c[nH]1)c1cccs1	1345747783	KCQWVCVDLCJXHM-UHFFFAOYSA-N	316.379	2.400	70	20	DEID	
COc1cc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)ccc1F	1521207531	ZEUDMUCYPMBULC-UHFFFAOYSA-N	316.285	2.073	70	20	DEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@@H]2CCCC[C@@H]2C1	1527390940	ANSILMIITSOPHA-WDEREUQCSA-N	314.382	2.325	70	20	DEID	
COC[C@@H](NC(=O)Nc1ccc2oc(N(C)C)nc2c1)C1CC1	161120312	UPKIIYYILVMPAU-CYBMUJFWSA-N	318.377	2.440	70	20	DEID	
C[C@@H](SCC(=O)N[C@H]1CCC[C@@H]1O)c1nc2ccccc2[nH]1	161121693	JPULIZOYNXLLIX-SWHYSGLUSA-N	319.430	2.387	70	20	DEID	
C[C@@H](NCc1cccc(C(=O)NCCN(C)C)c1)c1ccco1	161258297	QPDGESMXJSKEKC-CQSZACIVSA-N	315.417	2.422	70	20	DEID	
C[C@@]1(O)CCCN(C(=O)NCCc2c[nH]c3cc(F)ccc23)C1	161349603	ZUZREYKHPPBLHI-QGZVFWFLSA-N	319.380	2.406	70	20	DEID	
Cc1cc(C(=O)N2CCC[C@H]2CN)c(C)n1-c1nccs1	160315765	YHEYWKDJXWDSFQ-LBPRGKRZSA-N	304.419	2.114	70	20	DEID	
O=C([C@H]1CCCCO1)N1CCC[C@@H](NCc2ccccc2)C1	160378768	MEHZQZAMWAUCKX-IAGOWNOFSA-N	302.418	2.336	70	20	DEID	
CNC(=O)c1cccc(CNC(=O)N2CC[C@@H](C)[C@@H](C)C2)c1	160477707	TUIMXOARRCKWBU-OLZOCXBDSA-N	303.406	2.234	70	20	DEID	
COC(=O)c1ccc2[nH]cc(C(=O)CN3CCSCC3)c2c1	160591094	OREJBKXPXBREEO-UHFFFAOYSA-N	318.398	2.186	70	20	DEID	
Cc1nc2c(s1)[C@H](NCC(=O)NCC(F)(F)F)CCC2	160597573	XFRSAAOFQBYIKD-MRVPVSSYSA-N	307.341	2.097	70	20	DEID	
C[C@H](NCc1ccc(CN2CCOCC2)cc1)c1cnn(C)c1	160599430	AFKJMGBBWMWTSC-HNNXBMFYSA-N	314.433	2.103	70	20	DEID	
Cc1cc(C(=O)NC[C@@H](O)CN2CCCCC2)c(C)n1C1CC1	160643816	YAYYHTBEBYZXAD-MRXNPFEDSA-N	319.449	2.016	70	20	DEID	
O=C(N[C@@H]1CCOC2(CCCC2)C1)[C@H]1COc2ccccc2O1	159390893	MKCAAJNGMMBICL-CZUORRHYSA-N	317.385	2.434	70	20	DEID	
CCOc1c(Cl)cc(C(=O)N(C)[C@@H](C)CO)cc1OC	160375645	JUZUHIKXVMMIMY-VIFPVBQESA-N	301.770	2.200	70	20	DEID	
CC[C@@H](C)CN(C)C(=O)Cc1ccc(S(=O)(=O)F)cc1	1340310011	RBCPZUGMTPOUSR-LLVKDONJSA-N	301.383	2.392	70	20	DEID	
C[C@H]1CCC[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1350747383	KEQAFVVHWMKGJA-UWVGGRQHSA-N	302.371	2.229	70	20	DEID	
O=C(Cn1nc(C2CC2)nc1C1CC1)NCc1cccs1	161438400	QOQYODUBXYFTFW-UHFFFAOYSA-N	302.403	2.411	70	20	DEID	
CCC(CC)c1cc(C(=O)NC[C@H](C)N2CCOCC2)on1	160205639	JJBNRPNYKFNQNO-LBPRGKRZSA-N	309.410	2.029	70	20	DEID	
NC[C@@H]1CCCN1C(=O)c1cnn(Cc2ccccc2Cl)c1	160345850	WJZTYOPYRQKNGQ-AWEZNQCLSA-N	318.808	2.148	70	20	DEID	
CC(C)c1nc(N(C)C)nc(N(C)CCC(=O)OC(C)(C)C)n1	160490226	IKJCRJGOHLVYGW-UHFFFAOYSA-N	323.441	2.229	70	20	DEID	
N[C@H](CCC(=O)NCCCOC[C@H]1CCOC1)c1ccccc1	160583943	VBAWVUDLAFKASG-NVXWUHKLSA-N	320.433	2.026	70	20	DEID	
CC1=C(C(=O)Nc2ccccc2SCC(N)=O)CCCO1	160742271	MURAFTPPTCODMN-UHFFFAOYSA-N	306.387	2.287	70	20	DEID	
Cc1cc(C(=O)NC2CCN([C@H]3CCCC[C@H]3O)CC2)oc1C	160746208	XZOKPMKXZZOUDX-JKSUJKDBSA-N	320.433	2.394	70	20	DEID	
COc1ccccc1[C@@H](NC(=O)NCCCO)c1ccco1	160828230	SCTPSHRXBWEFHK-OAHLLOKOSA-N	304.346	2.059	70	20	DEID	
Cc1nn(C)c(C)c1CC(=O)N[C@H](C)CC(=O)c1cccs1	160975101	DPBYCSZDZLZGMG-SNVBAGLBSA-N	319.430	2.419	70	20	DEID	
CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N(C)Cc2cc(C)on2)C1	159973357	ZJYHCIKQVAIEQA-GXTWGEPZSA-N	321.421	2.226	70	20	DEID	
Cc1nn(C)c(C)c1S(=O)(=O)Nc1cccc(Cl)c1O	160391575	ZCXOIBVXGABDSJ-UHFFFAOYSA-N	315.782	2.197	70	20	DEID	
O=C(/C=C/c1cccnc1)Nc1cccc(S(=O)(=O)F)c1	460087932	BMTRCMUSQKSAJW-VOTSOKGWSA-N	306.318	2.392	70	20	DEID	
CO[C@@H]1CCC[C@H](C(=O)Nc2ccc(S(=O)(=O)F)cc2)C1	460087539	AUNUXVBMTXSENV-CMPLNLGQSA-N	315.366	2.489	70	20	DEID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)c1ccn(C(F)F)n1	776363999	OCPGBRYWLPUJTA-UHFFFAOYSA-N	319.264	2.189	70	20	DEID	
Cc1cc(NC(=O)C(=O)N[C@H](C)C2CCOCC2)ccc1F	161089733	LTKZAIRXMYVPRG-LLVKDONJSA-N	308.353	2.004	70	20	DEID	
COc1ccc(C(F)(F)C(=O)N[C@@H](CO)CC(C)C)cc1	161107169	WFMWYDOXDXAXBS-GFCCVEGCSA-N	301.333	2.310	70	20	DEID	
CCCCn1c(O)nnc1S(=O)(=O)Cc1cc(C)ccc1C	161202193	KIQPXTBLSYFYNL-UHFFFAOYSA-N	323.418	2.375	70	20	DEID	
COc1ccccc1NC(=O)NCc1c(C)nn(C)c1OC	160354312	PHOHMCYZMJWVBV-UHFFFAOYSA-N	304.350	2.067	70	20	DEID	
COC1(CNC(=O)Nc2ccn(CCC(C)C)n2)CCOCC1	160531496	LQHIIHLTRMWBPR-UHFFFAOYSA-N	324.425	2.246	70	20	DEID	
COC(=O)[C@H](C)CN(C(=O)Cc1nc(C)sc1C)C1CC1	160907090	DRBGNYSZZIMMRL-SECBINFHSA-N	310.419	2.103	70	20	DEID	
Cc1nc2ccccn2c1CN1CC[C@@H](Cc2cnn(C)c2)C1	160928591	YRRWMQHEJVTXNW-HNNXBMFYSA-N	309.417	2.441	70	20	DEID	
C[C@@H](O)[C@H]1CCCN(CC2CCN(C(=O)C(C)(C)C)CC2)C1	160935144	BNNNFNSHQSEKAQ-ZBFHGGJFSA-N	310.482	2.364	70	20	DEID	
CCOCCC1(CNC(=O)CCc2nnc(C(C)C)o2)CC1	159465569	LGEXTYBIHGELNU-UHFFFAOYSA-N	309.410	2.449	70	20	DEID	
Cc1cccc2nc(CNC(=O)c3cccc4[nH]cnc34)cn12	159482872	NNSPCAYUHLOGPU-UHFFFAOYSA-N	305.341	2.449	70	20	DEID	
CN(CCOCc1ccccc1)C(=O)CCOC1CCOCC1	159491256	XFSWVHSYONENKO-UHFFFAOYSA-N	321.417	2.247	70	20	DEID	
CO[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccccc1C(C)C	159924240	NUHBIGBTDUDVNG-HUUCEWRRSA-N	304.390	2.432	70	20	DEID	
COc1cc(CNC(=O)N[C@H]2CCO[C@H](C3CC3)C2)ccc1O	159540007	IIMLIDGDCQNADP-ZFWWWQNUSA-N	320.389	2.158	70	20	DEID	
CCOC1CC(C(=O)Nc2ccc(S(=O)(=O)F)c(F)c2)C1	857672706	HVJWCBJOLKYXOY-UHFFFAOYSA-N	319.329	2.238	70	20	DEID	
Cc1ccc2c(c1)CCN2C(=O)c1cc(S(=O)(=O)F)c[nH]1	1121186722	RJEABBJJZDRIIB-UHFFFAOYSA-N	308.334	2.184	70	20	DEID	
C[C@H]1CC[C@@H](CNC(=O)Cc2ccc(S(=O)(=O)F)cc2)C1	1340722472	MZRFNCAYGYWZEH-WCQYABFASA-N	313.394	2.440	70	20	DEID	
CSC[C@H](C)NC(=O)c1ccc(S(=O)(=O)F)cc1C	1349153597	YPEBCGLQXKFEDP-VIFPVBQESA-N	305.396	2.135	70	20	DEID	
O=S(=O)(F)c1ccc(NC[C@@H]2C[C@H]2C2CCOCC2)nc1	1550639749	QYIXOMMPTCADIY-AAEUAGOBSA-N	314.382	2.214	70	20	DEID	
Cc1cccc(-n2cc(C(=O)NCc3cnc(C)s3)nn2)c1	161046615	AJKRBSYYGITWKZ-UHFFFAOYSA-N	313.386	2.271	70	20	DEID	
COC[C@@H](O)CCNC(=O)[C@@H](C)Sc1ccccc1Cl	161230694	JOFIJXQVAVVWJS-MNOVXSKESA-N	317.838	2.334	70	20	DEID	
C[C@@H](NCc1ccccc1N1CCOCC1)C1CCOCC1	161475824	AHWVKPAFCPXXJZ-OAHLLOKOSA-N	304.434	2.428	70	20	DEID	
O=C(Cc1ccc(-n2cccn2)cc1)NCCc1cccc(O)c1	160201774	JJUWDQANFRJAHC-UHFFFAOYSA-N	321.380	2.479	70	20	DEID	
c1ccc(-c2nnc(N3CCC(n4ccnn4)CC3)s2)nc1	160236838	DIJTURSGOIKOPI-UHFFFAOYSA-N	313.390	2.033	70	20	DEID	
COc1ccc(/C=C/C(=O)N[C@H](CCO)C(C)C)cc1OC	160498513	SMZCBHDCXNELDC-IZPAUZPXSA-N	307.390	2.240	70	20	DEID	
N[C@@H]1CCC[C@@H](NC(=O)c2cccnc2OCC(F)(F)F)C1	160779738	LCDUWPRXACQLCB-NXEZZACHSA-N	317.311	2.022	70	20	DEID	
COC[C@H]1CCCN(C(=O)N[C@H]2CCN(C3CCCC3)C2)C1	160828557	PGYWILBDDALKGU-GJZGRUSLSA-N	309.454	2.071	70	20	DEID	
CC(=O)N(Cc1ccc(NC(=O)[C@H]2CCCNC2)cc1)C1CC1	160953393	RAIDZGAWPWILSD-HNNXBMFYSA-N	315.417	2.136	70	20	DEID	
CC1(NS(=O)(=O)c2ccc(F)cc2Cl)CCOCC1	160999879	AXKVDFNHQBOSLC-UHFFFAOYSA-N	307.774	2.327	70	20	DEID	
CC(C)OCCC(=O)Nc1cccn(CC(F)(F)F)c1=O	159831762	CMNGGEGEYMXMLE-UHFFFAOYSA-N	306.284	2.164	70	20	DEID	
CN(CCc1nccs1)S(=O)(=O)c1cccc(F)c1F	159669771	XCLUJPGUDFRXTF-UHFFFAOYSA-N	318.370	2.285	70	20	DEID	
Cc1cc(NC(=O)[C@H]2CCN(C3CCCCC3)C2)c[nH]c1=O	159675298	RROMXCLPMPEOBL-ZDUSSCGKSA-N	303.406	2.276	70	20	DEID	
CS(=O)(=O)CCN(C(=O)Nc1ccc(F)cc1F)C1CC1	159885284	XKPWMMQOABEHKN-UHFFFAOYSA-N	318.345	2.006	70	20	DEID	
C[C@@H]1CCN(C(=O)Nc2ccccc2OCCC(N)=O)C[C@@H]1C	159499987	XCOBQEYPCDXIGA-OLZOCXBDSA-N	319.405	2.451	70	20	DEID	
O=S(=O)(NCCN1CC[C@@H]2CCCC[C@@H]21)c1ccccc1	159707948	WNDXMXBAQNITQQ-HOCLYGCPSA-N	308.447	2.229	70	20	DEID	
CCOC(=O)CN(C)CC(=O)N(CC)[C@H](C)c1ccc(F)cc1	159524730	WJUUKBHJPDQPJA-CYBMUJFWSA-N	324.396	2.230	70	20	DEID	
COc1cccc(NC(=O)N2CCC(Cn3ccnn3)CC2)c1	159727250	LMCLAJUQQWBOOI-UHFFFAOYSA-N	315.377	2.231	70	20	DEID	
CCN1CCCN(C(=O)NCc2ccc(C)c(OC)c2)CC1	159737335	NQQJPFYGTXUKGV-UHFFFAOYSA-N	305.422	2.241	70	20	DEID	
CC(C)NC(=O)c1ccc(C(=O)N(CCN(C)C)C(C)C)cc1	159562325	OIWYQJQPHGGZJN-UHFFFAOYSA-N	319.449	2.237	70	20	DEID	
CC[C@H]1CCCCN1C(=O)[C@@H](C)SCCN1CCOCC1	159763996	IAQYHVFWTLIYGR-CABCVRRESA-N	314.495	2.231	70	20	DEID	
NC(=O)CCSc1ccccc1NC(=O)NC1CC=CC1	159969147	AZLHGCQDOBWWFC-UHFFFAOYSA-N	305.403	2.494	70	20	DEID	
O=C(Nc1cc(F)ccc1OC[C@H]1CCCO1)[C@@H]1CCCNC1	159381464	FNKVBWCCVAMMLX-TZMCWYRMSA-N	322.380	2.322	70	20	DEID	
CC1(C)C[C@@H](NC(=O)c2cnc(C(F)(F)F)nc2)CCO1	159381529	YHBPPXGOGHLINQ-VIFPVBQESA-N	303.284	2.183	70	20	DEID	
COc1ccc(NC(=O)N2CCC(Cn3ccnn3)CC2)cc1	159776636	PMFXFNMEGJYCAE-UHFFFAOYSA-N	315.377	2.231	70	20	DEID	
O=C(Nc1cnc(C2CC2)nc1)N[C@@H]1c2ccccc2C[C@H]1O	159584778	ODHSCEADXMNNDI-HUUCEWRRSA-N	310.357	2.134	70	20	DEID	
COc1ncc(C)cc1NC(=O)N(C)CCCn1ccnc1C	159595568	CXCFVYUYBXRWON-UHFFFAOYSA-N	317.393	2.458	70	20	DEID	
COc1ccccc1CCNC(=O)NCc1ccc(CO)cc1	217342189	UMBIHYOXDCBLTG-UHFFFAOYSA-N	314.385	2.229	70	20	DEID	
CCCCN1CCCC[C@H]1CNC(=O)NC[C@@H](C)N(C)C1CC1	217037332	ODULNNCTYRTPKE-WBVHZDCISA-N	324.513	2.423	70	20	DEID	
CSCC[C@H](C)NC(=O)c1ccc(S(=O)(=O)F)cc1	889066351	YNNYFOAEWOHEBV-VIFPVBQESA-N	305.396	2.216	70	20	DEID	
CCN(CC(=O)N[C@H](C)c1cccs1)Cc1cnn(C)c1	161089838	JUXOWWPFIAMBKW-GFCCVEGCSA-N	306.435	2.181	70	20	DEID	
O=c1n(CCOc2ccc(Cl)c(F)c2)nc2ccccn12	161120556	JCDXWJFYVBQIHT-UHFFFAOYSA-N	307.712	2.368	70	20	DEID	
CCN(Cc1cnn(C)c1)C[C@@H](O)COc1cc(C)cc(C)c1	161145541	AYUNZJCJQMDSBM-QGZVFWFLSA-N	317.433	2.299	70	20	DEID	
CC(C)CNC(=O)c1ccc(NC(=O)N[C@@]2(C)CCOC2)cc1	161364420	VRPGNAQBENDXNK-KRWDZBQOSA-N	319.405	2.373	70	20	DEID	
COc1ccc(NC(=O)[C@@H](C)OC[C@@H]2CCCCO2)cc1N	161384638	XAQFWVFTYDSBJM-YPMHNXCESA-N	308.378	2.190	70	20	DEID	
COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(O)cc1F	161170925	ASHMKLJQAPVSCN-HNNXBMFYSA-N	317.316	2.045	70	20	DEID	
Cc1nn(C)c(C)c1C(=O)C(=O)N[C@@H]1CCCc2sccc21	160131368	BSGJESSOOPHEIO-GFCCVEGCSA-N	317.414	2.475	70	20	DEID	
O=C(NCCc1cccc(O)c1)c1cc(-c2ccncc2)on1	160190255	AFXHREKTWBUCIK-UHFFFAOYSA-N	309.325	2.415	70	20	DEID	
CC[C@H](C)OCC(=O)NCc1cccc(Cn2cccn2)c1	160205470	XYMORRGWJBEMAS-AWEZNQCLSA-N	301.390	2.363	70	20	DEID	
CS(=O)(=O)CCCCS(=O)(=O)Cc1ccc(Cl)cc1	160308811	NLJNWWAXORIHKD-UHFFFAOYSA-N	324.851	2.080	70	20	DEID	
Cc1cc(Cl)ccc1C(=O)N1CCCC[C@H]1CNC(N)=O	160384054	DUEJFFDIJAWZKY-LBPRGKRZSA-N	309.797	2.311	70	20	DEID	
CC[C@@H](C)N(C)CCNC(=O)c1cnn(C2CCOCC2)c1C	160500924	NOIAGUMWSXPUAU-CYBMUJFWSA-N	322.453	2.003	70	20	DEID	
CN[C@H]1CCN(C(=O)CCc2nc(C)c(-c3ccccc3)o2)C1	160581496	VOJFDOOENDVORD-HNNXBMFYSA-N	313.401	2.403	70	20	DEID	
CCNC(=O)c1ccc(NC(=O)N2CCC[C@H]2C[C@H](C)O)cc1	160784931	FFNXJMKONZOFOC-WFASDCNBSA-N	319.405	2.204	70	20	DEID	
Cn1cnc2cc(C(=O)NCCC[C@@H]3CCCC[C@@H]3O)cnc21	160905429	UOQUKDRZAFGTIZ-WFASDCNBSA-N	316.405	2.029	70	20	DEID	
CC[C@H]1CCC[C@H]1NC(=O)CCOc1cccc(C(N)=O)c1	159622468	DKQZVSLDIRYKPN-SWLSCSKDSA-N	304.390	2.249	70	20	DEID	
CC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1cc(C)c(C)o1	159630824	MCLWMGUSCVOMIU-PWSUYJOCSA-N	310.419	2.326	70	20	DEID	
CC(C)c1noc2nc(-c3ccco3)cc(C(=O)NCCO)c12	159482132	HXFSCJHGGPBZRU-UHFFFAOYSA-N	315.329	2.328	70	20	DEID	
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)CCCn2cccc2)C1	159491069	HPJGUHZJAFRXFA-CQSZACIVSA-N	321.421	2.394	70	20	DEID	
C[C@@H](C(=O)Nc1ccc(F)c(F)c1)N(C)C[C@@H]1CCC[C@@H]1O	159509355	PDPVPFUEBRLCBJ-PGUXBMHVSA-N	312.360	2.385	70	20	DEID	
CCCN(CC(=O)OCC)C(=O)Cc1cc(F)c(F)cc1F	159706658	UTXZCSMIQVQMTG-UHFFFAOYSA-N	317.307	2.448	70	20	DEID	
COCCN1CCN(Cc2noc(C3CCCCC3)n2)C[C@@H]1C	159921046	MVZOVURWTLKDGM-AWEZNQCLSA-N	322.453	2.270	70	20	DEID	
CCC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CCOC2(CCCC2)C1	159733907	ZOQPGEBLAGPDAR-HUUCEWRRSA-N	322.449	2.386	70	20	DEID	
CNC(=O)[C@H]1CCCN1C(=O)NCc1ccc(C)cc1SC	159766630	GZZAUPWZZIXYDK-CYBMUJFWSA-N	321.446	2.137	70	20	DEID	
C[C@H]1CCCC[C@H]1C(=O)Nc1cncc(OS(=O)(=O)F)c1	2088595708	AIUNOTXEQXDHFX-JOYOIKCWSA-N	316.354	2.440	70	20	DEID	
CCN(CC(=O)NC)c1ncc(Cl)cc1Br	159739645	JHIGELMOEDFTTR-UHFFFAOYSA-N	306.591	2.070	70	20	DEID	
O=C(N[C@@H]1CCc2ccccc21)c1cc(S(=O)(=O)F)c[nH]1	1123916738	ZWACPHSQHGIQJO-GFCCVEGCSA-N	308.334	2.090	70	20	DEID	
CCN(Cc1cnn(C)c1)[C@@H](C)C(=O)N(C)Cc1ccccc1	161073163	MOYKNOXXZKJCNL-HNNXBMFYSA-N	314.433	2.289	70	20	DEID	
CC[C@H]1CCCC[C@H]1N(C)C(=O)CCSc1nnnn1C	161215686	FQZMIMIYILUSOB-NWDGAFQWSA-N	311.455	2.120	70	20	DEID	
CCO[C@H](C)c1nccn1CC1(CS(C)(=O)=O)CCC1	161445589	PEKTYDYQMWAEMF-GFCCVEGCSA-N	300.424	2.196	70	20	DEID	
C[C@H](Cc1cccs1)NC(=O)CS(=O)(=O)C(C)(C)C	160032609	WBLJNGLDKGMDMN-SNVBAGLBSA-N	303.449	2.009	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)CCC(=O)c1ccc(C)cc1	160365644	RGWGDHYOOIIXHX-ZDUSSCGKSA-N	305.374	2.416	70	20	DEID	
C[C@H]1CN(C(=O)Nc2ccn(CC(F)(F)F)n2)C[C@@H](C)O1	160430602	NJPSHTYRIIKMLC-DTORHVGOSA-N	306.288	2.087	70	20	DEID	
CCN(CCCO)C(=O)/C=C/c1c(Cl)nc2sccn12	160479281	MOFILKOBXATMGE-SNAWJCMRSA-N	313.810	2.293	70	20	DEID	
CCc1nc(CC(=O)NC[C@H]2CCCN2CC(C)C)cs1	160498453	TYUOMCOIYORWCR-CQSZACIVSA-N	309.479	2.485	70	20	DEID	
CCC(CC)CNC(=O)N(C)CCN(C)C1CCN(C)CC1	160563587	SRRYBEWMSSWVJP-UHFFFAOYSA-N	312.502	2.090	70	20	DEID	
Cc1ccccc1[C@H](C)NC(=O)[C@H](C)N(C)C[C@H](O)C1CC1	160866783	JHTAXGBUQZTYSU-ZQIUZPCESA-N	304.434	2.263	70	20	DEID	
NS(=O)(=O)c1ccc(NC(=O)C2CCC(F)(F)CC2)cc1	160983905	AKIWCSPUHJCECN-UHFFFAOYSA-N	318.345	2.098	70	20	DEID	
C[C@H]1CN(C(C)(C)CNC(=O)N2CCC3(CCC3)C2)C[C@@H](C)O1	159665732	ULVHVQWZNDPTGP-GASCZTMLSA-N	323.481	2.460	70	20	DEID	
CC(C)c1cc(C(=O)NCC(C)(C)O)nn1-c1ccccc1	159756591	GYNFBIJTKAQRNX-UHFFFAOYSA-N	301.390	2.496	70	20	DEID	
CCOC(=O)CCc1ccc(NC(=O)NC2CCOCC2)cc1	159577032	MUAZGIONEXZJDL-UHFFFAOYSA-N	320.389	2.483	70	20	DEID	
CC(C)(C)OC(=O)N1CCSC[C@@H]1CC(=O)N1CCCC1	160979135	KTXUZSNVNYOQCM-LBPRGKRZSA-N	314.451	2.351	70	20	DEID	
C[C@]1(C(=O)Nc2ccc(S(=O)(=O)F)c(F)c2)CC1(F)F	857672917	MCYGVNZJHJAJBK-SNVBAGLBSA-N	311.256	2.468	70	20	DEID	
COC[C@@H](C)CC(=O)Nc1ccc(C)c(S(=O)(=O)F)c1	857675439	NGIYSNDBMJRIOC-VIFPVBQESA-N	303.355	2.264	70	20	DEID	
COc1cc(C)ccc1OC(=O)c1cc(S(=O)(=O)F)c[nH]1	1120866433	QJPOBPIBYIUOHC-UHFFFAOYSA-N	313.306	2.209	70	20	DEID	
Cc1cc(F)ccc1NC(=O)C(=O)N[C@@H](C)C1CCOCC1	161044871	LZBNDGUOOGDVBB-NSHDSACASA-N	308.353	2.004	70	20	DEID	
COCCOc1cccc(NC(=O)N2CCC[C@H]2C[C@@H](C)O)c1	161062141	AJVQSSGJNCCAQJ-HIFRSBDPSA-N	322.405	2.479	70	20	DEID	
C[C@]1(CNC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)CCCC[C@H]1O	160370750	FPZSGGYAAGWKPL-JYYAWHABSA-N	310.438	2.184	70	20	DEID	
Cc1ccc(CCNC(=O)NCc2cnn(C)c2C)c(C)c1	160591872	LXSNTKRFQSQPOI-UHFFFAOYSA-N	300.406	2.387	70	20	DEID	
Cc1cnccc1CCNC(=O)NC[C@@H](C(C)C)N1CCCC1	160816476	LXFJOHXVUOAVJT-KRWDZBQOSA-N	318.465	2.352	70	20	DEID	
Cc1nn(C)c(C)c1-c1cc(C(=O)NCC2(C3CC3)CC2)[nH]n1	159800096	OKSUBNRXUXCPON-UHFFFAOYSA-N	313.405	2.347	70	20	DEID	
O=C(CN1CCO[C@]2(CCc3ccccc32)C1)N1CCCCC1	159674987	ULLBJLQKHBXQER-LJQANCHMSA-N	314.429	2.173	70	20	DEID	
CC(C)NC(=O)c1ccc(C(=O)N2CCOCC23CCC3)cc1	159564933	RZJJOXAHFKNQQC-UHFFFAOYSA-N	316.401	2.220	70	20	DEID	
CCCN(Cc1csc(C2CC2)n1)[C@@H]1CCS(=O)(=O)C1	161388155	LJMCSEOEFIOSGE-CYBMUJFWSA-N	314.476	2.420	70	20	DEID	
COCC(C)(C)NC(=O)c1cc(S(=O)(=O)F)ccc1Cl	1337069211	XABUCZVQDMIETF-UHFFFAOYSA-N	323.773	2.153	70	20	DEID	
CN(C[C@@H]1CCC[C@@H]1O)C(=O)NCCc1ccc(F)cc1F	161192363	VXZXZSMITJECPO-WFASDCNBSA-N	312.360	2.310	70	20	DEID	
CC(C)Cn1cc(NC(=O)N[C@@H](CO)Cc2ccccc2)cn1	161339716	HMJJILAPUBQELU-OAHLLOKOSA-N	316.405	2.264	70	20	DEID	
C[C@@H]1CC(NC(=O)Nc2cnn(CC(F)F)c2)C[C@@H](C)O1	161491106	FFQXOYDMZWMNCI-RKDXNWHRSA-N	302.325	2.226	70	20	DEID	
O=C(NCC1(C2CC2)CC1)N[C@@H]1CCN(c2ncccc2F)C1	160151400	OMPJQCFUXVLBLT-CYBMUJFWSA-N	318.396	2.289	70	20	DEID	
Cc1c(/C=C/C(=O)NCCc2c(F)cccc2F)cnn1C	160216780	WPCSMWWZRLGWJB-VOTSOKGWSA-N	305.328	2.379	70	20	DEID	
CN(C[C@@H]1CCC[C@@H]1O)C(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1	160230255	LSXLSVQVFWLKFX-XZDPQHSOSA-N	306.381	2.484	70	20	DEID	
CCCC1(CNC(=O)c2cn(CC(=O)C(C)(C)C)nn2)CC1	160757831	NKGSHDFOZVQFKI-UHFFFAOYSA-N	306.410	2.203	70	20	DEID	
CCCNC(=O)c1cccc(NC(=O)N[C@]2(C)CCOC2)c1	160798897	OLHMYTNPUKDHMM-MRXNPFEDSA-N	305.378	2.127	70	20	DEID	
CC(C)[C@@H](C(=O)N[C@H]1CCOC2(CCCC2)C1)N1CCCC1=O	159745074	CBCBXZFFZGCPMI-HOCLYGCPSA-N	322.449	2.241	70	20	DEID	
COc1cccnc1N(C)S(=O)(=O)c1cc(C)ccc1F	159559978	JQCHOYVMGUWQTL-UHFFFAOYSA-N	310.350	2.363	70	20	DEID	
CS[C@@H]1CCC[C@H](NC(=O)C2(N)Cc3ccccc3C2)C1	159571054	WCKBNIBNGHSIQY-LSDHHAIUSA-N	304.459	2.273	70	20	DEID	
CCOC(=O)[C@@H](CC(C)C)NCc1c(CC)nn(C)c1OC	159775640	HEUMPIJXTCJYLM-CQSZACIVSA-N	311.426	2.059	70	20	DEID	
CSC[C@](C)(O)CNC(=O)COc1cc(C)ccc1Cl	217642620	HXOCUTVAEDMTKL-CQSZACIVSA-N	317.838	2.257	70	20	DEID	
COc1cc(NC(=O)c2ccc(S(=O)(=O)F)cc2)ccn1	864242223	YNCJMDKPUWSRPU-UHFFFAOYSA-N	310.306	2.001	70	20	DEID	
O=C(NC[C@@H]1CCCCS1)c1cccc(S(=O)(=O)F)c1	1338260109	KAGADBZTSFXOJJ-NSHDSACASA-N	317.407	2.360	70	20	DEID	
CCC(CC)(CN)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C	161273307	TZUJXQJPCGARAL-INIZCTEOSA-N	305.466	2.479	70	20	DEID	
COc1ccc(NC(=O)CCCOc2cccnc2)cc1N	161351817	IIIGXFDTHMVTJG-UHFFFAOYSA-N	301.346	2.470	70	20	DEID	
Cc1ccc(F)c(NC(=O)N(CCS(C)(=O)=O)C2CC2)c1	160026509	KNYKJNVZMINBHY-UHFFFAOYSA-N	314.382	2.175	70	20	DEID	
CSCc1cccc(NC(=O)C(=O)NCCn2cccc2)c1	160134071	LEBPRMWSGUJPNT-UHFFFAOYSA-N	317.414	2.106	70	20	DEID	
CCN(CC(=O)NCc1ccc(F)cc1)Cc1ccnn1CC	160233642	PSVQSRDYYOPGTJ-UHFFFAOYSA-N	318.396	2.180	70	20	DEID	
CCc1nc(CN[C@@H](C)c2ccc(N3CCOC3=O)cc2)n[nH]1	160386719	VNFQNKDPFZZPOT-NSHDSACASA-N	315.377	2.175	70	20	DEID	
Cc1cc(C)c(CCNC(=O)C(=O)Nc2nocc2C)c(C)c1	160451042	DHMRVUQJAWLOQA-UHFFFAOYSA-N	315.373	2.206	70	20	DEID	
O[C@H]1CCCC[C@@H]1CNC1CCN(Cc2ccncc2)CC1	160484154	LRMDNIAPSWKXNG-AEFFLSMTSA-N	303.450	2.187	70	20	DEID	
COCCCOc1ccccc1NC(=O)c1cccc(=O)n1C	160855277	FYJUWKZGBCVLLT-UHFFFAOYSA-N	316.357	2.053	70	20	DEID	
Cc1cccc(-n2cc(C(=O)N(C)Cc3cccn3C)nn2)c1	160992431	ZANRDQZATSXOCZ-UHFFFAOYSA-N	309.373	2.186	70	20	DEID	
CC(=O)N[C@H](C)C(=O)Nc1cc(Cc2ccccc2)ccc1O	159872598	NXCDTJFXZQDAHG-GFCCVEGCSA-N	312.369	2.446	70	20	DEID	
COCc1cc(N[C@H](CCO)CSC)nc(C(C)(C)C)n1	159739683	VPFWRUVBZIBLAV-LLVKDONJSA-N	313.467	2.446	70	20	DEID	
CC[C@H](Oc1ccccc1Cl)C(=O)N[C@H]1CCN(C(C)=O)C1	159562684	ODXHPWIAZKRTJS-JSGCOSHPSA-N	324.808	2.234	70	20	DEID	
COC[C@@H](NC(=O)Nc1cccc(-c2n[nH]c(C)n2)c1)C1CC1	159987525	VVKOSZKBDNVEKI-CQSZACIVSA-N	315.377	2.327	70	20	DEID	
O=C(c1ccc(F)cc1)C1CCN(C(=O)c2csnn2)CC1	217745195	IYFALLNCJKAHRU-UHFFFAOYSA-N	319.361	2.412	70	20	DEID	
CC(C)(C#N)NC(=O)c1cc(S(=O)(=O)F)ccc1Cl	1337451058	DACCVMGHMVRWEL-UHFFFAOYSA-N	304.730	2.030	70	20	DEID	
CCCN(Cc1ccc(COC)cc1)[C@H]1CCS(=O)(=O)C1	161089462	LUFKSNPYBTTYIO-INIZCTEOSA-N	311.447	2.232	70	20	DEID	
COc1cccc(O[C@@H](C)CNC(=O)[C@@H]2CCC[C@H](N)C2)c1	161128641	FNHIKNSWEMWILR-MJBXVCDLSA-N	306.406	2.096	70	20	DEID	
CCCN1CCC(N(C)C(=O)Nc2cnc(CC)nc2)CC1	161192009	VMBRGHJSEKLYMU-UHFFFAOYSA-N	305.426	2.377	70	20	DEID	
c1cnc(N2CCN(Cc3csc(C4CC4)n3)CC2)nc1	161267850	VOOYZQBRTWBXJI-UHFFFAOYSA-N	301.419	2.133	70	20	DEID	
CC(C)(C)CN(CCCO)S(=O)(=O)Cc1ccc(F)cc1	161367326	HFQKHGNSYSNJOK-UHFFFAOYSA-N	317.426	2.386	70	20	DEID	
Cc1ccc(NC(=O)c2cnn(C3CCOCC3)c2C)nc1	161444004	LTCXBODWAMOCRT-UHFFFAOYSA-N	300.362	2.499	70	20	DEID	
COC[C@H](O)CCNC(=O)CCc1ccc(-c2ccccc2)o1	161495831	RNXCLHQNIRJUDU-OAHLLOKOSA-N	317.385	2.393	70	20	DEID	
O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)C[C@H]2CCCN2)C1	160392694	YTBCGLAFZWBHHN-GOEBONIOSA-N	318.392	2.389	70	20	DEID	
CCc1nc(C)c([C@@H](C)NCC(=O)NCC(F)(F)F)s1	160524920	TZIWAEJBSDCVNJ-SSDOTTSWSA-N	309.357	2.343	70	20	DEID	
C[C@H](CC(=O)N[C@H]1CC(=O)N(C2CC2)C1)c1ccc(F)cc1F	160665565	VZQSATLWPSSGKN-PWSUYJOCSA-N	322.355	2.338	70	20	DEID	
Cn1c(C(=O)Nc2nc(-c3ccccc3)ns2)cccc1=O	160830439	DLIRMLMLEYEVKZ-UHFFFAOYSA-N	312.354	2.156	70	20	DEID	
CCOCCNC(=O)c1ccc(CN(C)C(=O)C(C)C)cc1	160911300	TWTXPVTZEFSFNR-UHFFFAOYSA-N	306.406	2.067	70	20	DEID	
CC(C)Cn1cnc(S(=O)(=O)N(C)Cc2ccc(O)cc2)c1	159603897	GPJCXKQKHWXPAA-UHFFFAOYSA-N	323.418	2.065	70	20	DEID	
CSCC[C@@H](N)C(=O)NCCOc1ccccc1C(C)C	159840862	VJTPQVMKEVKVLZ-CQSZACIVSA-N	310.463	2.385	70	20	DEID	
COc1ccc(N(C)C(=O)[C@@H](NC(C)=O)C(C)C)cc1Cl	159877097	YHOVSUVVACVEHG-AWEZNQCLSA-N	312.797	2.472	70	20	DEID	
Cc1nnc(-c2ccccc2C(=O)N(C)[C@H]2CCCN(C)C2)o1	159916713	TVANDJCAMUZTEY-ZDUSSCGKSA-N	314.389	2.211	70	20	DEID	
COc1cccc2cc(C(=O)N(CC(N)=O)CC(C)C)oc12	159723029	WGCFXAGXWFAZCT-UHFFFAOYSA-N	304.346	2.025	70	20	DEID	
Cc1ccc(-n2nccc2NC(=O)c2cccc(N(C)C)c2)nn1	159538744	HFCDPFPLEYOTSP-UHFFFAOYSA-N	322.372	2.289	70	20	DEID	
COc1ccc(NC(=O)[C@H](C)Nc2cc(C)n(C)n2)c(OC)c1	159591402	FSVUKQPWOQMTLZ-NSHDSACASA-N	318.377	2.185	70	20	DEID	
COCCN(CCO)C(=O)Cc1ccc(Cl)c(Cl)c1	160633163	DMGUHBUNSVPRQA-UHFFFAOYSA-N	306.189	2.003	70	20	DEID	
COc1cc(NC(=O)N(C)C2CCN(C)CC2)cc(OC)c1	217273745	GPHQIWACTAEXLK-UHFFFAOYSA-N	307.394	2.262	70	20	DEID	
c1ccc(-c2cnc(N3CCN(c4ncccn4)CC3)cn2)cc1	217501084	AUTCULRWQKNIQI-UHFFFAOYSA-N	318.384	2.260	70	20	DEID	
CCS(=O)(CC)=NC(=O)c1ccc(S(=O)(=O)F)cc1C	1340866107	GUGLNHQWYQEABG-UHFFFAOYSA-N	321.395	2.301	70	20	DEID	
CCCN(Cc1cccc(OCC)c1)[C@@H]1CCS(=O)(=O)C1	161072853	KYCLGDJGSQFJOG-OAHLLOKOSA-N	311.447	2.484	70	20	DEID	
O=C(CC/C=C/c1ccccc1)NC[C@@H](O)CN1CCCCC1	160178847	DFKVDPXYPRPRBK-HNDWGLKSSA-N	316.445	2.443	70	20	DEID	
OCc1cc2ccccc2nc1N1CCC(n2ccnn2)CC1	160208689	CVVVFQIAGMHEAQ-UHFFFAOYSA-N	309.373	2.160	70	20	DEID	
CC(C)c1cc(C(=O)N2CCOC[C@@H]2[C@H]2CCCCC2=O)n[nH]1	160476286	NLUATJGQLVBYRT-IUODEOHRSA-N	319.405	2.133	70	20	DEID	
C[C@@H](CC(=O)NCCc1ccccc1)NC[C@H]1CCCC[C@@H]1O	160642120	ADYCQMRKGBHHCF-JQHSSLGASA-N	318.461	2.265	70	20	DEID	
CCC[C@H](CCO)CNC(=O)Nc1ccn(CC(F)(F)F)n1	160683690	QSHMKFFMFQAPGC-SNVBAGLBSA-N	322.331	2.366	70	20	DEID	
Cc1c(/C=C/C(=O)NC[C@@]2(N(C)C)CCC[C@@H](C)C2)cnn1C	160780105	GXIWOKAMTOSESL-UTCUSRJNSA-N	318.465	2.368	70	20	DEID	
COC[C@@H](O)CCNC(=O)c1ccc(Oc2cccnc2)cc1	160908944	NWMYHTHOBYIUQG-AWEZNQCLSA-N	316.357	2.001	70	20	DEID	
C[C@H](N[C@@H](C)c1nnnn1-c1ccccc1)C(=O)OC(C)(C)C	160932859	NHCHFOJQCMWKOZ-RYUDHWBXSA-N	317.393	2.043	70	20	DEID	
CN(C(=O)CSCC(=O)NC1CC=CC1)C1CCCCC1	160988825	PATAINUDULLLCO-UHFFFAOYSA-N	310.463	2.346	70	20	DEID	
COc1ccc(CNC(=O)c2ccc(F)c(OC)c2)cc1O	159632976	ATBOOYXEPMIRER-UHFFFAOYSA-N	305.305	2.479	70	20	DEID	
CC(C)N(C)C(=O)[C@@H](C)Sc1nnc(-c2ccccn2)n1C	159494733	DIJDNRSFCVWSSA-LLVKDONJSA-N	319.434	2.225	70	20	DEID	
O=C(Nc1cc(F)ccc1OC[C@H]1CCCO1)C1CCNCC1	159379669	DETCVYUBBKYHPI-CQSZACIVSA-N	322.380	2.322	70	20	DEID	
COCCNC(=O)CNC(=O)CC1CCC(C(C)(C)C)CC1	159761228	SEEVJOLKPDMLEC-UHFFFAOYSA-N	312.454	2.108	70	20	DEID	
CC(C)N1C[C@H](NC(=O)Nc2ccc(F)c(F)c2F)CC1=O	217289095	YZKLVGMMKDFZPS-MRVPVSSYSA-N	315.295	2.235	70	20	DEID	
Cc1nnc(CSc2nncn2CCc2cccs2)n1C	161013967	STZKSDOKSOXKBP-UHFFFAOYSA-N	320.447	2.312	70	20	DEID	
CC(C)N(CCNC(=O)N[C@H](CCO)C(C)(C)C)C(C)C	161185887	WYQNTGPMKUVZJX-CQSZACIVSA-N	301.475	2.202	70	20	DEID	
CCCCCOc1ccc(S(=O)(=O)N(C)[C@@H](C)CO)cc1	161309697	LWBFGTDXIABRBH-ZDUSSCGKSA-N	315.435	2.257	70	20	DEID	
Cc1ccc(C(=O)NCC2(C3CC3)CC2)cc1S(C)(=O)=O	160113455	AKLQLHKISAPAHM-UHFFFAOYSA-N	307.415	2.319	70	20	DEID	
COc1ccc(C)cc1[C@H](C)OC(=O)CCCS(C)(=O)=O	160145195	ZMXCPEJNUVQTMU-LBPRGKRZSA-N	314.403	2.433	70	20	DEID	
CC[C@H]1CN(C(=O)NCCCC(=O)OC(C)C)CCS1	160201580	IJNPBDZSYSBPAT-LBPRGKRZSA-N	302.440	2.255	70	20	DEID	
CCN1CCN(Cc2ccccc2CN[C@H](C)CCOC)CC1	160361585	OLWGPAQCIGAGKP-QGZVFWFLSA-N	319.493	2.339	70	20	DEID	
CC(C)CSCCCNC(=O)c1ccc2c(c1)C(=O)NC2=O	160648566	JQODTERIURUAIN-UHFFFAOYSA-N	320.414	2.079	70	20	DEID	
CN[C@@H]1CCN(C(=O)/C=C/c2ccccc2OC(F)(F)F)C1	160704676	QDGUZKRTPKSAQP-NNNHXZLVSA-N	314.307	2.419	70	20	DEID	
CC(C)NC(=O)NC(=O)[C@@H](C)N[C@H](C)c1cccc(F)c1F	159500357	MKJPUGNTSGRMIR-NXEZZACHSA-N	313.348	2.238	70	20	DEID	
COc1cc(OC)c(C(=O)NCC2(N)CCCCC2)cc1OC	159578470	WKEINUUIGNOBCM-UHFFFAOYSA-N	322.405	2.104	70	20	DEID	
Cn1cc(C(=O)Nc2cccc(S(=O)(=O)F)c2)c(C2CC2)n1	292423324	UCVLEXQZWIKSAK-UHFFFAOYSA-N	323.349	2.208	70	20	DEID	
CC[C@@H](C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)F)cc1)OC	864244186	NBZKNWHQVPDRKN-ZWNOBZJWSA-N	317.382	2.136	70	20	DEID	
CC1(C)CCCN(C(=O)c2cccc(S(=O)(=O)F)c2)[C@@H]1C#N	1121186854	UPBUAUPRFKHXIL-CYBMUJFWSA-N	324.377	2.499	70	20	DEID	
CNC[C@H]1CCCN1C(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1	161308351	LQZBCXCEQHXQPE-MAZHCROVSA-N	315.417	2.105	70	20	DEID	
Cc1ccccc1[C@H]1CN(C(=O)C[C@H]2COC(=O)C2)[C@H](C)CO1	161367323	LSYKJWFAINDNCB-IIAWOOMASA-N	317.385	2.237	70	20	DEID	
CC(=O)c1cccc(NC(=O)[C@@H]2C(=O)N(CC(C)C)N=C2C)c1	160161862	MVKWBXSCWASVJR-OAHLLOKOSA-N	315.373	2.318	70	20	DEID	
CC(C)n1ccnc1CN1CCC(C(=O)N2CCCC2)CC1	160731603	YTDVAQWPZBOBFJ-UHFFFAOYSA-N	304.438	2.298	70	20	DEID	
COCCCNC(=O)c1ccc(NC(=O)N(C)C)cc1Cl	160943928	WHQWNABYWRILHB-UHFFFAOYSA-N	313.785	2.200	70	20	DEID	
COc1cccc(OCCCN[C@H](C(N)=O)c2ccccc2)c1	160992611	YQUMVRSKBIHASC-KRWDZBQOSA-N	314.385	2.280	70	20	DEID	
Cc1noc(C)c1S(=O)(=O)NC1CCC(OC(C)C)CC1	159400115	DGAIVYGPXNRSCP-UHFFFAOYSA-N	316.423	2.306	70	20	DEID	
CCCN(CC)CCNC(=O)N[C@@H](CO)c1ccc(CC)cc1	159412489	YPUFQXIJHFFBLR-KRWDZBQOSA-N	321.465	2.314	70	20	DEID	
C[C@H](CNC(=O)[C@@H](C)N)Sc1ccc(Br)cc1	159654309	WBTTZYXPDCCOLA-RKDXNWHRSA-N	317.252	2.393	70	20	DEID	
CC(C)(C(N)=O)c1ccc(NC(=O)NCc2nccs2)cc1	159860296	OECDTGGQDLQDPX-UHFFFAOYSA-N	318.402	2.228	70	20	DEID	
CN(CCc1nccs1)S(=O)(=O)c1ccc(F)c(F)c1	159671698	SKNJWCWPPWCSQV-UHFFFAOYSA-N	318.370	2.285	70	20	DEID	
COc1cc(CNC2(C)CCC2)cc(Cl)c1OCC(N)=O	159923601	XXHDGZDMMOKADZ-UHFFFAOYSA-N	312.797	2.245	70	20	DEID	
NC(=O)C[C@H]1CCCN(C(=O)Nc2cc(F)c(F)cc2F)C1	159735271	VZGHDYDNEMVDRS-MRVPVSSYSA-N	315.295	2.223	70	20	DEID	
C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)Cc2ccccc21	1348816530	FUVJYDJVOOVZEF-SNVBAGLBSA-N	322.361	2.432	70	20	DEID	
CC[C@@](C)(O)CN1CCC(C(=O)OC)(c2ccccc2)CC1	161162358	NENWNAKOEJQKFC-QGZVFWFLSA-N	305.418	2.354	70	20	DEID	
CCC(N)(CC)CNC(=O)c1ccc(-n2cc(C)cn2)cc1	160457126	QAIOXUJKGPGTOT-UHFFFAOYSA-N	300.406	2.428	70	20	DEID	
CN(Cc1cccn1C)C(=O)c1ccc2c(c1)NC(=O)CS2	160510997	PZOYXPPIPSKLOY-UHFFFAOYSA-N	315.398	2.342	70	20	DEID	
CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)N(CC)CC	160828538	GLSXZYKIJLZBII-ZDUSSCGKSA-N	312.435	2.290	70	20	DEID	
CO[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(CSC)cc1	159828790	VFJROLWBUMGVDL-ZIAGYGMSSA-N	322.430	2.172	70	20	DEID	
COc1ccc(OC(C)C)c(NC(=O)NCc2nc(C)no2)c1	159841130	FFKFYWOOMJXXPT-UHFFFAOYSA-N	320.349	2.496	70	20	DEID	
O=C(CC1C[C@@H]2CC[C@H](C1)N2)Nc1cnn(CC(F)(F)F)c1	159698937	YWCCSSKIJKMVSJ-FGWVZKOKSA-N	316.327	2.305	70	20	DEID	
Cc1nccc(NC(=O)NC[C@@H](O)COCC(C)C)c1Cl	159898367	UDDZJJZQKPRRNK-LLVKDONJSA-N	315.801	2.198	70	20	DEID	
CCS(=O)(=O)CCN(C)C(=O)N[C@@H](C)c1ccc(C)cc1	159953514	NNGHRUSAHYJILU-ZDUSSCGKSA-N	312.435	2.132	70	20	DEID	
CCN1CCCN(C(=O)NCc2cc3ccccc3[nH]2)CC1	159779438	XLEIJFMZRJGABV-UHFFFAOYSA-N	300.406	2.405	70	20	DEID	
CCN(C)CCNC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1	159589605	RRVFGDCQCFMDFB-CVEARBPZSA-N	305.422	2.158	70	20	DEID	
COC1(COC(=O)c2ccc(S(=O)(=O)F)cc2)CCCC1	838092608	IJYACFZKCUAESN-UHFFFAOYSA-N	316.350	2.461	70	20	DEID	
Cc1cc(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)ccc1F	1515237218	HLKCFDVJLWIIFE-UHFFFAOYSA-N	314.313	2.050	70	20	DEID	
COCCCNC(=O)C(=O)Nc1ccccc1SC(C)C	161024887	IPROZJAAMZOOJU-UHFFFAOYSA-N	310.419	2.278	70	20	DEID	
COc1ccccc1N1CC[C@H](NC(=O)c2c(C)noc2C)C1	161052543	ABBQIQUIUMGKFI-ZDUSSCGKSA-N	315.373	2.309	70	20	DEID	
CC(=O)NC1CCC(NC[C@@H](O)c2ccc(Cl)cc2)CC1	161250386	FDMWQUIRTCZKQL-UYSNPLJNSA-N	310.825	2.410	70	20	DEID	
CCC(CC)(CN)C(=O)Nc1cc(F)cc(N2CCOCC2)c1	161279445	GINJDURUUJTUFH-UHFFFAOYSA-N	323.412	2.366	70	20	DEID	
Cc1nccc(N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)n1	161318076	WQBQSPDBFGRDLH-INIZCTEOSA-N	310.401	2.431	70	20	DEID	
CCOc1ccc(N2CCN([C@H](C)c3ccccn3)CC2)nn1	160085010	BPPLDEAQSZLCEM-CQSZACIVSA-N	313.405	2.154	70	20	DEID	
C[C@H](CO)N(C)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1	160466779	IQAGUGANNMSFRO-LLVKDONJSA-N	308.378	2.486	70	20	DEID	
Cc1ccc(Cl)cc1C(=O)N1CCN(CC(C)(C)O)CC1	160591256	AKIAUIXSENFGLC-UHFFFAOYSA-N	310.825	2.177	70	20	DEID	
Cc1ccc(C)c(-n2ncc(NC(=O)N3CC[C@H](O)C3)c2C)c1	160749188	FJCVLIYVWGZRBY-AWEZNQCLSA-N	314.389	2.396	70	20	DEID	
CCS(=O)(=O)c1cccc(CC(=O)N2CC[C@@H](C)[C@@H]2C)c1	160753909	DLMQZGLCHNLXSX-OLZOCXBDSA-N	309.431	2.280	70	20	DEID	
COc1ccc(S(C)(=O)=O)cc1C(=O)N1[C@@H](C)CC[C@H]1C	160842739	KOADQYZJRSXXHR-PHIMTYICSA-N	311.403	2.112	70	20	DEID	
CCC[C@@H](O)CNC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1	160885328	KDNSBKWXSJWMMO-XHSDSOJGSA-N	306.406	2.367	70	20	DEID	
CCc1nc(CN2CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)n[nH]1	159411505	QBVXPCOXOSGAEE-NWDGAFQWSA-N	323.441	2.245	70	20	DEID	
CCc1nn(C)c(CC)c1S(=O)(=O)Nc1ccnc(C)c1	159610866	UJADMHLMHMTISE-UHFFFAOYSA-N	308.407	2.049	70	20	DEID	
Cc1cnccc1CCNC(=O)N[C@H](C)CN1CCC[C@H](C)C1	159920163	LTGNRZYKVJVRFV-GOEBONIOSA-N	318.465	2.352	70	20	DEID	
Cc1cc(S(=O)(=O)N(C)[C@@H]2CCSC2)c(F)cc1F	159383835	UELHVXXEJAHUEF-SECBINFHSA-N	307.387	2.399	70	20	DEID	
CCCN(CCCNC(C)=O)[C@@H](C)C(=O)Nc1ccccc1	159987101	JLOSTDOBILTUSD-AWEZNQCLSA-N	305.422	2.252	70	20	DEID	
CCOc1ccc(NC(=O)N[C@H]2CC(=O)N(C(C)C)C2)cc1	217288251	UJHBDJCBBVHOAW-ZDUSSCGKSA-N	305.378	2.216	70	20	DEID	
C[C@H](CCc1ccccc1)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1123464685	GQRSOMCECXDKSA-LLVKDONJSA-N	324.377	2.424	70	20	DEID	
O=C(Nc1cccc2ncccc12)c1cc(S(=O)(=O)F)c[nH]1	1347189409	SZLJSDCIKKOWHY-UHFFFAOYSA-N	319.317	2.473	70	20	DEID	
C[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)c1ccc(C#N)cc1	1350747779	PJVIWWUTYWQIQU-VIFPVBQESA-N	321.333	2.036	70	20	DEID	
Cc1cc(C[C@@H](C)NC(=O)c2cccc(-n3ccnc3)c2)n[nH]1	161167145	SRDCOOOHRCJVIP-GFCCVEGCSA-N	309.373	2.265	70	20	DEID	
Cc1ccc(F)c(OCC(=O)N2CC[C@H](N3CCCC3)C2)c1	161341744	XDJQIDVMJWQKCC-AWEZNQCLSA-N	306.381	2.210	70	20	DEID	
CS[C@H](C)CNC(=O)Nc1cccc(-c2ncn(C)n2)c1	161459192	FBFJQLDNZRDWJX-SNVBAGLBSA-N	305.407	2.355	70	20	DEID	
CC(C)Oc1ccccc1C(=O)NC[C@@H](O)CN1CCCCC1	160240897	DGRXXCPVPXBYBO-OAHLLOKOSA-N	320.433	2.050	70	20	DEID	
Cc1ccc(C(=O)CCN2CCOC3(CCOCC3)C2)cc1	160312658	HDAHBWDZKKUMER-UHFFFAOYSA-N	303.402	2.449	70	20	DEID	
C[C@H](NC(=O)Nc1ccn(CC(F)(F)F)n1)[C@@H]1CCCO1	160390476	MDNIIWXGTCFYQJ-IUCAKERBSA-N	306.288	2.134	70	20	DEID	
C[C@@H]1CN(C[C@@H]2CCCN2c2nc(C3CC3)ns2)C[C@@H](C)O1	160466465	MDEODDFIDXENNM-BZPMIXESSA-N	322.478	2.494	70	20	DEID	
CCC(=O)c1cccc(S(=O)(=O)Nc2[nH]nc(C)c2C)c1	160481133	ZTKKFOMKANOLHQ-UHFFFAOYSA-N	307.375	2.420	70	20	DEID	
CCN(Cc1ccc2c(c1)CC(C)(C)O2)[C@@H]1CCS(=O)(=O)C1	160552499	OMUUIJOLUZUKFG-OAHLLOKOSA-N	323.458	2.409	70	20	DEID	
CC1(C)C[C@H](Nc2cc(N3CCC[C@H](CO)C3)ncn2)CCO1	160713266	UWWFNUIJHZQNAI-UONOGXRCSA-N	320.437	2.055	70	20	DEID	
COC(=O)[C@@H](C)NC(=O)c1cc(C(C)C)n(-c2ccccc2)n1	160820847	UJCPYIVHMIPQSI-GFCCVEGCSA-N	315.373	2.287	70	20	DEID	
CC[C@H](C)c1cc(C(=O)NCc2nnc3n2CCCC3)on1	160895553	PJXNXMUHSVLHIC-JTQLQIEISA-N	303.366	2.046	70	20	DEID	
CN(CCc1ccncc1)C(=O)N[C@@H]1CCN(C2CCCC2)C1	160898454	UCNVUPOARLKHDQ-MRXNPFEDSA-N	316.449	2.282	70	20	DEID	
CCO[C@@H]1C[C@H](N(C)C(=O)NCCCn2cccn2)C12CCC2	160932600	CNTUOLAMKZXVGQ-LSDHHAIUSA-N	320.437	2.262	70	20	DEID	
Cc1ccc([C@H]2COCCN2C(=O)NCCc2cscn2)o1	159401606	NSZMDLGFHLUMPX-CYBMUJFWSA-N	321.402	2.370	70	20	DEID	
CN(C)[C@H](C(=O)N1CCC(NCC2CC2)CC1)c1ccccc1	159802470	OKODVDNSSNZNNM-SFHVURJKSA-N	315.461	2.280	70	20	DEID	
Cc1ccc([C@H](O)CNS(=O)(=O)c2ccc(C)cc2F)cc1	159438399	VWUCWIGNBKOPNS-OAHLLOKOSA-N	323.389	2.454	70	20	DEID	
O=C(CC1CCCC1)NCC(=O)N[C@@H]1CCCc2occc21	159642172	BYJSOWULJRFVHL-CQSZACIVSA-N	304.390	2.470	70	20	DEID	
O=C(NCCc1cccnc1)NCc1nc(C2CC2)cs1	159468886	ADKVYWGQIZQPLH-UHFFFAOYSA-N	302.403	2.457	70	20	DEID	
COc1cc(C)cc(CNC(=O)NC[C@@H](C)N(C)C2CC2)c1	159861499	ULLJNYICZCBUFO-CYBMUJFWSA-N	305.422	2.286	70	20	DEID	
COC[C@H](NC(=O)C[C@@H]1CSCCS1)c1ccco1	159905531	YDCUFGFDSYCXSK-MNOVXSKESA-N	301.433	2.322	70	20	DEID	
CN(CC1CCOCC1)C(=O)N[C@H]1CCN(CC2CCCC2)C1	159570278	DIJGUNFIQLLGMM-KRWDZBQOSA-N	323.481	2.319	70	20	DEID	
Cc1ccc(CCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)cc1C	1121185516	RRGGWCGENFDISG-UHFFFAOYSA-N	324.377	2.262	70	20	DEID	
CCc1cc(O)ccc1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1348405865	PGFAPNPVJFRVIQ-UHFFFAOYSA-N	312.322	2.193	70	20	DEID	
CCC1(CNC(=O)NCC2(N(C)C)CCOCC2)CCCC1	161135637	IFGOQHGVBIWMKX-UHFFFAOYSA-N	311.470	2.367	70	20	DEID	
CNC(=O)c1cccc(NC(=O)N[C@@H]2CCOC(C)(C)C2)c1	161305640	OACZCAGRKKKHQC-CYBMUJFWSA-N	305.378	2.125	70	20	DEID	
C[C@H](CO)CNC(=O)N[C@@H](C[C@@H]1CCOC1)c1ccccc1	161314781	NLKJOTOGECUKKW-DZKIICNBSA-N	306.406	2.082	70	20	DEID	
COCCCNC(=O)C1CCN(C(=O)[C@H]2CCC[C@H](C)C2)CC1	161366497	WBXVRPRMETUGKM-HOCLYGCPSA-N	324.465	2.204	70	20	DEID	
CCCCn1ncc(NC(=O)N[C@H]2CCN(C(=O)CC)C2)c1C	160113288	LBACAXDVQUCJRR-ZDUSSCGKSA-N	321.425	2.124	70	20	DEID	
CC[C@@H](C)CS(=O)(=O)N1CCC[C@H](N2CCCC2)CC1	160163786	SHAGGEBZSNOSMT-CABCVRRESA-N	302.484	2.313	70	20	DEID	
O=C(NC[C@H](O)c1cc2ccccc2s1)[C@@H]1CCCCN1	160274246	IABKQBWJKPKVGA-STQMWFEESA-N	304.415	2.193	70	20	DEID	
CC(C)(CO)CCCNC(=O)[C@]1(C)Cc2ccccc2C(=O)O1	160359214	RQRXMTSZBSWFEY-SFHVURJKSA-N	319.401	2.073	70	20	DEID	
CNC(=O)c1cccc(C(=O)N(C)c2ccc3c(c2)OCO3)c1	160421419	GQSPPJLXKCGUFO-UHFFFAOYSA-N	312.325	2.052	70	20	DEID	
CSc1cc(C(=O)N[C@H]2CCc3nc(C)nn3C2)ccc1F	160538217	SQVMHLZTSBRUOU-NSHDSACASA-N	320.393	2.192	70	20	DEID	
COc1ccc2c(c1)CCC[C@H]2NCC(=O)NCC(F)(F)F	160605983	CMASVJVVMJBPOX-CYBMUJFWSA-N	316.323	2.341	70	20	DEID	
CCN(CC(=O)Nc1cccc(OC)c1)CC1=CCCOC1	160649968	UCIVQENLGJANBR-UHFFFAOYSA-N	304.390	2.302	70	20	DEID	
CCc1c(C(=O)N[C@H]2CCCc3occc32)[nH]c(C)c1C(N)=O	160921627	CHODXIDBBIKWLH-LBPRGKRZSA-N	315.373	2.385	70	20	DEID	
CCc1ccccc1NC(=O)C(=O)NC[C@@H]1CSCCS1	159689167	QDXGXVWZHZUAKW-GFCCVEGCSA-N	324.471	2.152	70	20	DEID	
COc1ccc(C(C)(C)C(=O)NCC2CCN(C)CC2)cc1	159905054	HLSXTKPFPJPKIL-UHFFFAOYSA-N	304.434	2.431	70	20	DEID	
Cc1nn(C)c2ncc(CN[C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)cc12	159526179	DIQPOFKTFSJDAF-IMJJTQAJSA-N	312.417	2.324	70	20	DEID	
Cc1c(NC(=O)C(=O)NC2CCCC2)cnn1-c1ccccc1	159953901	CATNOUPQBDTVMM-UHFFFAOYSA-N	312.373	2.178	70	20	DEID	
COC(=O)[C@]1(F)CCN(C(=O)CCc2ccc(F)cc2F)C1	159767780	XEYDAWRUVVMFBU-HNNXBMFYSA-N	315.291	2.011	70	20	DEID	
CS[C@H]1CCC[C@H](NC(=O)C2(N)Cc3ccccc3C2)C1	159571210	WCKBNIBNGHSIQY-GJZGRUSLSA-N	304.459	2.273	70	20	DEID	
CSCCCN(C)C(=O)Cc1ccc(S(=O)(=O)F)cc1	1121211416	VNGWURPOVRSMTE-UHFFFAOYSA-N	319.423	2.099	70	20	DEID	
COCCC1(CNC(=O)N(C)Cc2ccc3c(c2)OCO3)CC1	161032539	SUDWGVAQHIBEMI-UHFFFAOYSA-N	320.389	2.373	70	20	DEID	
Cc1ccc([C@H](C)N(C)C(=O)N[C@H]2CCc3ncnn3C2)cc1	161039373	BOAUPOBQBANCML-ZFWWWQNUSA-N	313.405	2.304	70	20	DEID	
CCN(CC(=O)Nc1cc(C)ccc1OC)Cc1cnn(C)c1	161084258	YZFNNKNPWJOJPD-UHFFFAOYSA-N	316.405	2.198	70	20	DEID	
CCOc1ccc(OC)cc1NC(=O)N1CCC[C@](C)(O)C1	161379798	NJLBOXYLKAHKAV-INIZCTEOSA-N	308.378	2.473	70	20	DEID	
CSCC[C@H](N)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21	161394298	WRWRFTMBTRRYMY-QWHCGFSZSA-N	308.447	2.485	70	20	DEID	
Cc1ccc(NC(=O)NCc2ccc(S(C)(=O)=O)cc2)cn1	161498009	YSCNCRPUNPQCPO-UHFFFAOYSA-N	319.386	2.115	70	20	DEID	
CCCN1CCC(NC(=O)c2cc(OC)c(OC)cc2F)CC1	161509140	NABNRCSIGAXVFI-UHFFFAOYSA-N	324.396	2.447	70	20	DEID	
CCCC1(CNC(=O)NC2CCN(CCN(C)C)CC2)CCC1	160014381	YNUKHNMJBGTZFU-UHFFFAOYSA-N	324.513	2.282	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)c1cc(C)ccc1-n1ccnc1	160324376	HDZMWQLBDLMDCP-CYBMUJFWSA-N	315.373	2.252	70	20	DEID	
Cc1ccc(NC(=O)C(=O)N[C@H]2C[C@H]3C[C@@H]2[C@H]2CCC[C@@H]23)cn1	160332818	GYAXUSOIKMBHFY-JZYAIQKZSA-N	313.401	2.269	70	20	DEID	
CC(C)CNC(=O)C[S@@](=O)c1ncc(C(C)(C)C)s1	160491383	CPPQSWJLTDIELN-IBGZPJMESA-N	302.465	2.320	70	20	DEID	
CC(C)C[C@@H](CO)NC(=O)c1ccnc(OCC(F)(F)F)c1	160675676	OPDSHJLFVKFRRO-NSHDSACASA-N	320.311	2.160	70	20	DEID	
C[C@H](O)[C@@H]1CCCN(CC2CCN(C(=O)C(C)(C)C)CC2)C1	160934839	BNNNFNSHQSEKAQ-GOEBONIOSA-N	310.482	2.364	70	20	DEID	
Cc1c(/C=C/C(=O)N[C@@H](C)CN2C[C@@H](C)C[C@@H](C)C2)cnn1C	160993666	USRMPPIOIIASQI-PZECUIMESA-N	318.465	2.224	70	20	DEID	
CNC(=O)COc1cccc(CC(=O)N[C@@H]2CCCC[C@@H]2C)c1	159635952	UKGSDTVQRJUABM-XJKSGUPXSA-N	318.417	2.049	70	20	DEID	
CC(=O)N1CC[C@H](NC(=O)C[C@H](C)Cc2cccc(F)c2)C1	159851983	LJAPKILWIAKJQC-WBMJQRKESA-N	306.381	2.131	70	20	DEID	
CC[C@H](C(=O)N[C@H]1CCc2nc(C)nn2C1)c1ccc(F)cc1	159673056	HIPAUJLKTATEQT-GJZGRUSLSA-N	316.380	2.350	70	20	DEID	
COc1cc(C(=O)NC[C@@H]2CCOC2)sc1Br	159879365	LEXLEQVEXIFWNN-ZETCQYMHSA-N	320.208	2.286	70	20	DEID	
Cc1nc(CC(=O)Nc2ccc(S(=O)(=O)F)cc2)cs1	185107876	AWGZQFZEISUHSF-UHFFFAOYSA-N	314.363	2.291	70	20	DEID	
O=C(Nc1cc2ccccn2n1)c1ccc(S(=O)(=O)F)cc1	864240717	ADRIZIYAIJBHSN-UHFFFAOYSA-N	319.317	2.245	70	20	DEID	
C#Cc1cccc(N(CC)C(=O)c2cc(S(=O)(=O)F)c[nH]2)c1	1346339627	BHHYOMIIRQTQSX-UHFFFAOYSA-N	320.345	2.321	70	20	DEID	
Cc1ccc(C(=O)CCN(CCS(C)(=O)=O)C(C)C)cc1	161016001	WKBKXINHHYAACS-UHFFFAOYSA-N	311.447	2.323	70	20	DEID	
CCCCCS(=O)(=O)CC(=O)OCc1nc(C)sc1C	161112872	SNLSLRYHXQGFOT-UHFFFAOYSA-N	319.448	2.408	70	20	DEID	
CC(C)[C@H](CC1CCCCC1)C(=O)NC[C@H]1CC[C@H](C(N)=O)O1	161140942	ZWRAEUBICZKUGC-OWCLPIDISA-N	324.465	2.378	70	20	DEID	
CNC[C@H]1CCCN1C(=O)c1cnn(-c2ccc(F)cc2)c1C	161218351	ADIKFFMXBSGHJD-OAHLLOKOSA-N	316.380	2.144	70	20	DEID	
CCc1cccc(C)c1NCC(=O)NCC(=O)NC(C)(C)C	161222687	IAIYKXUAMPOSGC-UHFFFAOYSA-N	305.422	2.000	70	20	DEID	
CCOC(=O)[C@H]1CCCCN1Cc1ccc([S@](C)=O)cc1	161279146	DHBSAXWUHVMNKG-QVKFZJNVSA-N	309.431	2.342	70	20	DEID	
COCC(C)(C)c1nc(CC(=O)Nc2ccccc2OC)no1	161324820	MMLGEDOWALJZAJ-UHFFFAOYSA-N	319.361	2.183	70	20	DEID	
Cc1ccc(NC(=O)C(=O)N[C@@H]2CCc3cc(F)ccc32)cn1	161326792	VPKQEBJHSGPIBS-OAHLLOKOSA-N	313.332	2.271	70	20	DEID	
Cn1cc(NC(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)cn1	161358601	UHXAFDMKGYCRFV-DZGCQCFKSA-N	300.362	2.462	70	20	DEID	
Cn1nnc2cc(C(=O)N[C@@H]3CCOC4(CCCC4)C3)ccc21	160090785	QBBWXRDHFGSQGQ-CYBMUJFWSA-N	314.389	2.190	70	20	DEID	
CN(C(=O)CNC(=O)CC1CCCC1)c1ccc2c(c1)OCO2	160165705	YKGJHIYNLJDXIP-UHFFFAOYSA-N	318.373	2.075	70	20	DEID	
Cc1cc(=O)c(C(=O)N[C@H]2CCOC3(CCCCC3)C2)c[nH]1	160537508	DNNWKACPQUKGDM-ZDUSSCGKSA-N	304.390	2.295	70	20	DEID	
C[C@]1(CNC(=O)NCCCNc2ccccn2)CCCS1	160682446	LEEPQRIFUGFYRE-OAHLLOKOSA-N	308.451	2.469	70	20	DEID	
CC[C@H](O)CCNC(=O)NC[C@H](c1ccco1)N1CCCCC1	160690961	SPLKHEFDRYXMTJ-LSDHHAIUSA-N	323.437	2.267	70	20	DEID	
Cc1ccc(OC2CCN(Cc3nncn3C)CC2)cc1C	160801487	KYKMFMVAQUJWRJ-UHFFFAOYSA-N	300.406	2.475	70	20	DEID	
O=C(NCCCOCC1CC1)N[C@@H]1[C@H]2Cc3ccccc3[C@@H]21	160810891	SHYOFVNBHULLGB-YESZJQIVSA-N	300.402	2.441	70	20	DEID	
COc1cc(NCCNC(=O)Nc2cccnc2)cc(OC)c1	160820924	XTDBDNVNOZRCNW-UHFFFAOYSA-N	316.361	2.332	70	20	DEID	
CC(C)C[C@H]1CCN(C(=O)c2ccc3[nH]c(=O)n(C)c3c2)C1	159437236	RRSDCHAXVFWFHD-GFCCVEGCSA-N	301.390	2.375	70	20	DEID	
CCCCn1ncc(NC(=O)N[C@@H]2CCC[C@@H]2C(=O)OC)c1C	159849828	QLBZVNZKGHMBOA-QWHCGFSZSA-N	322.409	2.455	70	20	DEID	
Cc1ccc(NC(=O)[C@@H]2CCCNC2)cc1C(=O)NC(C)C	159499704	NMIPSQQHKYEEIY-CYBMUJFWSA-N	303.406	2.071	70	20	DEID	
c1cc(-c2nc(CSCCN3CCOCC3)no2)cs1	159914955	BMEQMSTYZKHYGD-UHFFFAOYSA-N	311.432	2.364	70	20	DEID	
C[C@@H]1OCCN(C(=O)NCc2ccnc(N3CCCC3)c2)[C@@H]1C	159368065	AJDLFAAYVWUKNO-KGLIPLIRSA-N	318.421	2.001	70	20	DEID	
CC(C)N(CCN(C)C)C(=O)N[C@@H]1CCOC2(CCCC2)C1	159757923	FRJBHVXTUNJZMC-OAHLLOKOSA-N	311.470	2.460	70	20	DEID	
CCOC(=O)CCc1ccc(NC(=O)N2CCC[C@@H]2CO)cc1	159586836	IBPNUGWNRFHLFC-OAHLLOKOSA-N	320.389	2.171	70	20	DEID	
Cn1ccc(C(=O)NCc2sccc2Br)n1	218014845	RYVRSHCPETUZJF-UHFFFAOYSA-N	300.181	2.174	70	20	DEID	
CC1(C(=O)Nc2cccc(S(=O)(=O)F)c2)CCOCC1	460093720	OSFHYZYUKPHOCD-UHFFFAOYSA-N	301.339	2.100	70	20	DEID	
COC(C)(C)CNc1ccc([N+](=O)[O-])cc1CS(=O)(=O)F	882028730	DGLOZBOMZAXDJR-UHFFFAOYSA-N	320.342	2.231	70	20	DEID	
CC(=O)[C@@H](C)CCOC(=O)c1cccc(S(=O)(=O)F)c1	1334330073	LENXELURUQUOGU-VIFPVBQESA-N	302.323	2.117	70	20	DEID	
CSCCCNC(=O)NCCOc1ncccc1Cl	161043426	ZYRVLRRSVQFMKA-UHFFFAOYSA-N	303.815	2.166	70	20	DEID	
CC(C)N1CCC(NC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1	161246684	KOCYAMVBBBUVPT-XHSDSOJGSA-N	321.465	2.116	70	20	DEID	
CC[C@@H](C)OCC(=O)Nc1ccccc1CN1C(=O)CCC1=O	161274069	ILKKMYGLQRTVBP-GFCCVEGCSA-N	318.373	2.089	70	20	DEID	
Cc1nc(-c2cccc(NC(=O)[C@@H]3CCn4ccnc4C3)c2)n[nH]1	160145933	XOTZTSMACKNSGI-CYBMUJFWSA-N	322.372	2.178	70	20	DEID	
CC(=O)c1cccc(OCC(=O)N(C)Cc2cccn2C)c1	160600160	NBOBTZHTUWPYQV-UHFFFAOYSA-N	300.358	2.265	70	20	DEID	
COC[C@H](NC(=O)Nc1ccn(CC(F)(F)F)n1)C(C)C	160610143	JFCHBANPSZPNOC-VIFPVBQESA-N	308.304	2.238	70	20	DEID	
Fc1ccccc1-c1cnc(CN2CCC3(C2)OCCO3)o1	160618541	XVBWLZLSRXEXCR-UHFFFAOYSA-N	304.321	2.430	70	20	DEID	
CCC(CC)[C@H](CNC(=O)NCC[C@@H](O)CC)N1CCCC1	160902786	XLZMKLPCYVAAOA-HOTGVXAUSA-N	313.486	2.347	70	20	DEID	
CC(C)[C@@H](NC(=O)c1ccco1)C(=O)Nc1cccc(F)n1	160919715	LKLULWBPDYYCMD-CYBMUJFWSA-N	305.309	2.207	70	20	DEID	
CCc1cc(O)nc(CN2CCN(CCC(C)(C)C)CC2)n1	160969490	COPOZXKZGKTRCX-UHFFFAOYSA-N	306.454	2.298	70	20	DEID	
Cc1c(C(=O)NCCOCCC(C)C)cnn1C1CCOCC1	159635004	JAIDAPRWOILUON-UHFFFAOYSA-N	323.437	2.336	70	20	DEID	
CC(C)(C)[C@@H](O)CNC(=O)C1(c2ccc(F)cc2)CCOCC1	159635240	YGYKWAGQSPLKFC-HNNXBMFYSA-N	323.408	2.397	70	20	DEID	
CNC(=O)COc1cccc(CC(=O)N[C@H]2CCCC[C@H]2C)c1	159635513	UKGSDTVQRJUABM-CJNGLKHVSA-N	318.417	2.049	70	20	DEID	
Cc1cc(NC(=O)c2cncc(Br)c2)c[nH]c1=O	159689500	JYOBVBBOBHEPEQ-UHFFFAOYSA-N	308.135	2.093	70	20	DEID	
Cn1cc(C(=O)N2CC[C@]3(CCOC3)C2)c(-c2cccs2)n1	159712126	MLXLPXREPJUKPO-INIZCTEOSA-N	317.414	2.401	70	20	DEID	
C[C@@H](SCCN1CCOCC1)c1nc2ccccc2c(=O)[nH]1	159762099	UCJNGSJRSZOHHX-GFCCVEGCSA-N	319.430	2.050	70	20	DEID	
CN(C)S(=O)(=O)c1ccc2c(c1)N(CC1CCCC1)CC2	217213987	UMLJBPAPZMFQQZ-UHFFFAOYSA-N	308.447	2.490	70	20	DEID	
C[C@]1(c2ccccc2)C[C@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1263717413	FHCIVGUSEIFJCF-UKRRQHHQSA-N	322.361	2.133	70	20	DEID	
CC1(C)Cc2n[nH]cc2CN(c2ccc(S(=O)(=O)F)cn2)C1	1550631105	RAAYNKBJFMZEIL-UHFFFAOYSA-N	324.381	2.052	70	20	DEID	
CCC[C@H](CCO)CNC(=O)[C@]1(C)Cc2ccccc2C(=O)O1	161161360	TVCFXGIYEHFSNO-ACJLOTCBSA-N	319.401	2.073	70	20	DEID	
CC[C@@H]1CCCC[C@H]1N(C)C(=O)C[C@@H]1CCS(=O)(=O)C1	161233250	JDWVCKFRONOZGS-BFHYXJOUSA-N	301.452	2.238	70	20	DEID	
CC(C)CCOCCNC(=O)c1ccc(C(=O)NC2CC2)cc1	161401581	ORUXUVJLPDYKLC-UHFFFAOYSA-N	318.417	2.371	70	20	DEID	
COCc1cc(CNC(=O)[C@H]2CCn3ccnc3C2)ccc1F	161491442	TVZZYAGOIOVCFP-ZDUSSCGKSA-N	317.364	2.047	70	20	DEID	
O=C(N[C@@H]1CCc2[nH]ncc2C1)N1CCc2cccc(F)c2C1	160078373	MBGVAPVCHCJNCV-CYBMUJFWSA-N	314.364	2.174	70	20	DEID	
O=S(=O)(Cc1ccccc1)N1CCC[C@@H](N2CCCC2)CC1	160112602	HBFYJZGCTDYMHA-QGZVFWFLSA-N	322.474	2.467	70	20	DEID	
O=C(NCCCO[C@H]1CCCc2ccccc21)[C@@H]1CSCN1	160122914	XFLIXZXLFFFPEO-HOTGVXAUSA-N	320.458	2.249	70	20	DEID	
CCO[C@H]1C[C@H](N(C)C(=O)NC2CCN(C)CC2)C12CCC2	160714346	GHLTUMDJLGWORJ-GJZGRUSLSA-N	309.454	2.070	70	20	DEID	
C[C@H](Nc1cccc(NS(C)(=O)=O)c1)C(=O)OC(C)(C)C	160717096	JKMMSEUWPGFRNC-JTQLQIEISA-N	314.407	2.200	70	20	DEID	
Cc1ccc([C@H](O)CNS(=O)(=O)c2cc(F)ccc2C)cc1	159418409	QQNRQSMFUYJQSG-OAHLLOKOSA-N	323.389	2.454	70	20	DEID	
Cc1noc(COCC(=O)N[C@@H]2CCCc3sccc32)n1	159875687	ANNDJFPCNBPLNW-LLVKDONJSA-N	307.375	2.150	70	20	DEID	
COCCOc1ccc(NC(=O)[C@@H]2CCC(=O)C[C@H]2C)cn1	159911356	LDSWXDOARGDMMT-BXUZGUMPSA-N	306.362	2.051	70	20	DEID	
O=C(COc1ccc(Cl)cc1)N1CCc2ncncc2C1	218052773	OITQTQZRPJOIJD-UHFFFAOYSA-N	303.749	2.094	70	20	DEID	
Cc1nnsc1C(=O)NC[C@H]1CCCN1c1ccccc1	217808325	YVUJVDQMPQLIDH-CYBMUJFWSA-N	302.403	2.245	70	20	DEID	
Cc1nc(-c2cccc(NC(=O)N3CCC[C@](C)(O)C3)c2)n[nH]1	161156640	NFXGTQGSLLJPRP-INIZCTEOSA-N	315.377	2.159	70	20	DEID	
COCc1cc(NCCCNC(=O)C(C)C)nc(C(C)(C)C)n1	161430299	RYOVCEVGDUTWEH-UHFFFAOYSA-N	322.453	2.495	70	20	DEID	
COc1cccc(OCC(=O)NCCc2cccc(O)c2)c1	160176918	GIPZBTSGSTWNEI-UHFFFAOYSA-N	301.342	2.139	70	20	DEID	
COCCOCCN(Cc1ccccc1)C(=O)[C@@H]1CCCOC1	160199774	IGOYLJMIQJYAHU-QGZVFWFLSA-N	321.417	2.105	70	20	DEID	
Cc1nc2c(s1)[C@@H](NCC(=O)NCC(F)(F)F)CCC2	160597700	XFRSAAOFQBYIKD-QMMMGPOBSA-N	307.341	2.097	70	20	DEID	
CSc1ccccc1NC(=O)[C@H](C)N(C)C[C@H](O)C1CC1	160766985	DZGLJYFBYJNCPZ-FZMZJTMJSA-N	308.447	2.438	70	20	DEID	
COc1ccc(C(=O)Cn2cnc(C(C)C)cc2=O)c(OC)c1	160858649	FLGZHLIEVOCFJE-UHFFFAOYSA-N	316.357	2.267	70	20	DEID	
Cc1ccc(C(=O)CCN2CC[C@H](CN3CCOCC3)C2)cc1	159815776	XDUFAHMGTOMGDN-KRWDZBQOSA-N	316.445	2.222	70	20	DEID	
CC(C)CN(CC(N)=O)C(=O)c1c(Cl)c2ccccc2n1C	159718426	YVXWVNYYZCFCOW-UHFFFAOYSA-N	321.808	2.415	70	20	DEID	
COc1cccc(CCCN2CCC[C@@H](CNC(C)=O)C2)c1	159726754	XUIBFNGFCRHNFJ-KRWDZBQOSA-N	304.434	2.476	70	20	DEID	
O=S(=O)(NCc1ccncc1)c1cc(F)ccc1Cl	159567953	ZAPPTQIUVFKPRI-UHFFFAOYSA-N	300.742	2.353	70	20	DEID	
CCOC(=O)CN(C(=O)/C=C/c1ccc(Cl)nc1)C1CC1	159573187	GEIJKEFBUWVXEV-XBXARRHUSA-N	308.765	2.302	70	20	DEID	
CCOc1cc(CNC(=O)[C@@H](N)c2ccccc2)ccc1OC	159587707	RRVATXXNFLNFJP-KRWDZBQOSA-N	314.385	2.410	70	20	DEID	
Cc1cc(Cl)ccc1OCC(=O)N1C[C@@H]2CCC[C@H](C1)N2	159594902	CZDLTWSYOCXFTA-OKILXGFUSA-N	308.809	2.380	70	20	DEID	
N#C[C@@H](NC(=O)c1cccc(S(=O)(=O)F)c1)C1CCCC1	1121095868	WRSJQSLNVAELFC-CYBMUJFWSA-N	310.350	2.157	70	20	DEID	
C[C@H]1CCC[C@@H](C)[C@@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1354031713	KJKFBXPPAHAFMU-GDGBQDQQSA-N	302.371	2.227	70	20	DEID	
CC[C@@H]1CCCC[C@H]1N(C)C(=O)CN1C(=O)N[C@](C)(CC)C1=O	161101521	QSZGPEPHMIWHAE-PBFPGSCMSA-N	323.437	2.134	70	20	DEID	
COC[C@@H](O)CCNC(=O)CCCOc1ccccc1Cl	161289760	ZHRURKXTSHTLBZ-LBPRGKRZSA-N	315.797	2.013	70	20	DEID	
Cc1cccc(OC[C@H](C)NC(=O)C2(O)CCSCC2)c1	161292105	KHEFISLKBPFZOI-ZDUSSCGKSA-N	309.431	2.137	70	20	DEID	
C[C@H]1COCCN1C(=O)Nc1ccc(O[C@H]2CCOC2)cc1	160110783	WGSZFGFBPVSBCN-WFASDCNBSA-N	306.362	2.107	70	20	DEID	
C[C@@H]1CN(C(=O)NC[C@@H]2CCCO2)C[C@@H](c2ccsc2)O1	160180626	UUKXOEJCVXPVLU-XBFCOCLRSA-N	310.419	2.399	70	20	DEID	
CCc1noc(C)c1CS(=O)(=O)c1ccc(NC(C)=O)cc1	160344605	JUTZXOFOTRHVTA-UHFFFAOYSA-N	322.386	2.478	70	20	DEID	
CNC(=O)c1ccc(OC)c(NC(=O)NCC2(C3CC3)CC2)c1	160520075	QCKXPEKZIZJDAS-UHFFFAOYSA-N	317.389	2.367	70	20	DEID	
COC[C@H](NC(=O)Nc1ccc2c(c1)N(C)CCO2)C1CC1	160760768	MNMCVRXKGYTNEY-ZDUSSCGKSA-N	305.378	2.062	70	20	DEID	
O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)N(CCO)C1CC1	160801037	DEDFUGFTGGVVEK-HOCLYGCPSA-N	304.390	2.073	70	20	DEID	
CCN1CCc2nc(NC(=O)[C@H]3CCC(=O)C[C@@H]3C)sc2C1	159601788	MIEBVDFXBXHFCT-JQWIXIFHSA-N	321.446	2.465	70	20	DEID	
CN(CCc1nccs1)S(=O)(=O)Cc1cccc(F)c1	159620930	GQKXMRBBGCSJPI-UHFFFAOYSA-N	314.407	2.287	70	20	DEID	
C[C@H]1CCC[C@@H](C(=O)Nc2cccc(NS(N)(=O)=O)c2)C1	159863187	NIXQODFBYXOCLV-WDEREUQCSA-N	311.407	2.067	70	20	DEID	
CC[C@@H](NC(=O)NC[C@H]1CCCS1(=O)=O)c1ccc(C)cc1	159673883	UUORNHIFUBVEAC-HUUCEWRRSA-N	324.446	2.323	70	20	DEID	
CCOc1cc(CN2CCC(CC(N)=O)CC2)ccc1OC	159767624	BCDVFLYBQIFWRS-UHFFFAOYSA-N	306.406	2.181	70	20	DEID	
O=C(OCc1cncs1)C1CCN(CC(F)(F)F)CC1	159576488	KESRFSWZQZSTCF-UHFFFAOYSA-N	308.325	2.461	70	20	DEID	
COCCC1(CNC(=O)NCCc2c(C)noc2C)CCC1	159582969	VZWLGARNNSFYSP-UHFFFAOYSA-N	309.410	2.340	70	20	DEID	
CC[C@H](C(=O)N[C@@H](C)CCS(C)(=O)=O)c1ccc(F)cc1	161144262	UGNRVRZMNWDHPF-FZMZJTMJSA-N	315.410	2.259	70	20	DEID	
CCc1nnc([C@H](C)N2CCC([C@@H](O)C(F)(F)F)CC2)o1	161211159	LKZURJCEUUMNHW-GZMMTYOYSA-N	307.316	2.328	70	20	DEID	
CC[C@H](C)OCC(=O)Nc1cccc(NC(=O)[C@H](C)OC)c1	161381304	RMUGAEKCMLSVOE-RYUDHWBXSA-N	308.378	2.414	70	20	DEID	
CN(C)c1ccc(C(=O)N[C@H]2CCC[C@H](N(C)C)C2)c(F)c1	161496921	MXUYRRGNXNNAQW-STQMWFEESA-N	307.413	2.494	70	20	DEID	
CCN(CC1CCN(c2ccccn2)CC1)[C@H](C)C(=O)N(C)C	160000578	BNQVOGVXGHZUFE-OAHLLOKOSA-N	318.465	2.097	70	20	DEID	
CC(C)(C)c1nsc(N2CCC[C@@H](Cn3ccnn3)C2)n1	160071704	GSEUNLHUSASERB-LLVKDONJSA-N	306.439	2.344	70	20	DEID	
CC(C)OC(=O)CCCNC(=O)N1CCO[C@@H](c2ccco2)C1	160109886	DZVLGQMEIQLVHP-CQSZACIVSA-N	324.377	2.094	70	20	DEID	
CC[C@@H](C)N(C)CCN[C@@H](C)c1ccc(S(C)(=O)=O)cc1	160146820	MTYGCJDLGULPBA-KGLIPLIRSA-N	312.479	2.471	70	20	DEID	
Cc1conc1NC(=O)C(=O)N(C)Cc1cccc(Cl)c1	160336169	CZQXKLQHBZXLOI-UHFFFAOYSA-N	307.737	2.234	70	20	DEID	
CSc1ccc(C(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)cc1	160580825	FSFZTUGUHZDYIT-JSGCOSHPSA-N	304.415	2.149	70	20	DEID	
COC(=O)c1csc(NC(=O)N[C@@H](CCO)C(C)(C)C)c1	160727362	BYPPEGYZFJTHAF-JTQLQIEISA-N	314.407	2.453	70	20	DEID	
Cc1c(CNC(=O)NCCCOc2ccc(F)cc2)cnn1C	160733534	BPFYWRXHKOWUPS-UHFFFAOYSA-N	320.368	2.136	70	20	DEID	
N[C@H]1CCC[C@H](NC(=O)c2cnc(-c3ccccn3)s2)C1	160763505	WSCLWIAYFSAXGA-QWRGUYRKSA-N	302.403	2.205	70	20	DEID	
CSCC[C@@H](N)C(=O)NC[C@@H](O)c1ccc(C(C)(C)C)cc1	160973138	OGIIBEAWMQPSGI-HUUCEWRRSA-N	324.490	2.214	70	20	DEID	
CCOCCCCNC(=O)c1cnn(C2CCOCC2)c1C	159413757	RYMGAGXVPLOCQS-UHFFFAOYSA-N	309.410	2.090	70	20	DEID	
O=C(NCCc1cc2ccccc2[nH]1)c1ccc2[nH]nnc2c1	159504165	IHDNROOVJOTILI-UHFFFAOYSA-N	305.341	2.412	70	20	DEID	
CN(CCOC(C)(C)C)C(=O)c1ccc(S(=O)(=O)F)cc1	889605497	UUOLOJINQZKFHZ-UHFFFAOYSA-N	317.382	2.232	70	20	DEID	
C[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)c1ccc(C#N)cc1	1350747776	PJVIWWUTYWQIQU-SECBINFHSA-N	321.333	2.036	70	20	DEID	
c1ccn2cc(CCNC3CCC4(CC3)OCCO4)nc2c1	161021977	DRZMIFNSNOCWNY-UHFFFAOYSA-N	301.390	2.152	70	20	DEID	
CSC1(CNC(=O)C[C@@H](C)C2CCNCC2)CCOCC1	161213959	WIWLSLSWCBKKSE-CYBMUJFWSA-N	314.495	2.041	70	20	DEID	
C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2	161493428	JOQMMPLKVBXALO-SYQHCUMBSA-N	324.421	2.022	70	20	DEID	
C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cscn1	161506767	WGDZECQLCPCSEC-SNVBAGLBSA-N	311.407	2.225	70	20	DEID	
Cn1cnnc1CNC(=O)c1ccccc1OC1CCCCC1	160136536	DSNHXTIUJUALDO-UHFFFAOYSA-N	314.389	2.457	70	20	DEID	
O=C(N[C@@H]1CCO[C@H](C2CC2)C1)N1CC[C@@H](CN2CCCC2)C1	160249887	SYPAVROXHCKDTI-UAGQMJEPSA-N	321.465	2.071	70	20	DEID	
CN(C)CC(C)(C)CNC(=O)c1csc([C@@H]2CCCO2)n1	160334016	BANRAUAUAUWVLV-LBPRGKRZSA-N	311.451	2.312	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)c1ccc(F)cc1OC(F)F	160390248	OHNKJCOFHXBHBF-QMMMGPOBSA-N	319.279	2.499	70	20	DEID	
O=C(N[C@H](CO)c1ccccc1)N[C@@H]1CCN(C2CCCC2)C1	160821732	HTCGYCDDMYRAFH-NVXWUHKLSA-N	317.433	2.036	70	20	DEID	
CCc1nn(C)c(CC)c1S(=O)(=O)Nc1ccncc1C	159611163	CKIRPFAPAGXGFL-UHFFFAOYSA-N	308.407	2.049	70	20	DEID	
C[C@@H](NC(=O)N(C)[C@@H]1CCCc2c1cnn2C)C1CCOCC1	159703014	BINQLDLGOXJSNI-IUODEOHRSA-N	320.437	2.254	70	20	DEID	
CN(Cc1nccn1Cc1ccccc1)c1ncnc2nc[nH]c12	159711157	HXRXCEZGVHYSJM-UHFFFAOYSA-N	319.372	2.234	70	20	DEID	
c1cn(-c2ccc(CN[C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)cn2)cn1	159577572	LJVNPDJSZOVYRI-UAGQMJEPSA-N	310.401	2.315	70	20	DEID	
CC(=O)N1CC[C@@H](NC(=O)/C=C/c2nc3ccccc3s2)C1	159770267	VSDZYYNEALGDBK-NNNHXZLVSA-N	315.398	2.047	70	20	DEID	
Cc1nc2n(n1)C[C@H](NC(=O)Nc1ccnc(C)c1Cl)CC2	159471404	HEQMZVLAEUABDY-SNVBAGLBSA-N	320.784	2.080	70	20	DEID	
CCOC(=O)CN(C)CC(=O)N1CCc2sccc2[C@@H]1CC	159495016	PEMZWYRECSAHRO-ZDUSSCGKSA-N	324.446	2.079	70	20	DEID	
CCC1CCC(N(C(=O)CN(C)C(=O)COC)C2CC2)CC1	159537983	CTQQJDSFKJLVPY-UHFFFAOYSA-N	310.438	2.051	70	20	DEID	
CNS(=O)(=O)c1cccc([C@H](C)N[C@H]2CCCSC2)c1	159597362	BNACSXSNQRFQDJ-AAEUAGOBSA-N	314.476	2.141	70	20	DEID	
Cc1ccc(C(=O)N2CCO[C@H](C)[C@@H]2C)c(Br)n1	159681790	WRBRLDIVGHOBPO-VHSXEESVSA-N	313.195	2.402	70	20	DEID	
O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)N[C@H](CCO)c1ccccc1	159739491	VTUPJDHYBXRINI-BRWVUGGUSA-N	318.417	2.367	70	20	DEID	
CC(C)(C)S(=O)(=O)CC(=O)Nc1ccccc1-n1ccnc1	159801985	LFLPAGYKUOKKGB-UHFFFAOYSA-N	321.402	2.024	70	20	DEID	
O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)[C@H]1CCCCO1	159889862	HMBAVARWZGYBQX-LLVKDONJSA-N	319.329	2.191	70	20	DEID	
Cc1nc(NC(=O)[C@H](C)OC[C@@H]2CCCO2)cc(C2CC2)n1	160066809	NUHMTTFYLXIFAX-GWCFXTLKSA-N	305.378	2.185	70	20	DEID	
CCCn1nc(C)c([C@@H]2NC(N)=Nc3nc4ccccc4n32)c1C	160145116	PWBIYOKGANDONH-OAHLLOKOSA-N	323.404	2.356	70	20	DEID	
CC[C@H](CC(=O)NCCN1C(=O)CCC1=O)c1ccc(C)cc1	160314034	FSRFVLDIYAEKNS-CQSZACIVSA-N	316.401	2.144	70	20	DEID	
COCCN(CCO)C(=O)CCSc1ccc(Cl)cc1	160649964	KHHHHMORGDGMSD-UHFFFAOYSA-N	317.838	2.290	70	20	DEID	
C[C@H](Nc1ccc(CC(=O)N(C)C)cc1)C(=O)OC(C)(C)C	160770645	VIDZECITTGULJP-LBPRGKRZSA-N	306.406	2.459	70	20	DEID	
CCC(CC)(CO)NC(=O)Nc1ccn(CC(F)(F)F)n1	160832908	XJPLHVZQYKPULU-UHFFFAOYSA-N	308.304	2.118	70	20	DEID	
COCCN(CCOC)C(=O)c1cncc(-c2ccccc2)c1	160833813	QHODBIDTDSOWRE-UHFFFAOYSA-N	314.385	2.484	70	20	DEID	
CCCNC(=O)CCC(=O)N[C@@H](C)CC(=O)c1cccs1	160848993	QDSVKRWTGJDCOH-NSHDSACASA-N	310.419	2.132	70	20	DEID	
CNC(=O)C(C)(C)CNC(=O)[C@@H](OC(C)(C)C)c1ccccc1	160965256	DSSJEEOZPGZLGP-AWEZNQCLSA-N	320.433	2.431	70	20	DEID	
CN(C)C(=O)CN(C)C(=O)c1csc(-c2ccc(F)cc2)n1	161082038	JQMPMLWPOMLHNX-UHFFFAOYSA-N	321.377	2.109	70	20	DEID	
CNC[C@@H]1CCCN1C(=O)COc1ccc(F)cc1Cl	161156516	MEVQSPXXHOGPNW-NSHDSACASA-N	300.761	2.068	70	20	DEID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)c1ccc2nccn2c1	187234032	DMPREHFLWGVSCW-UHFFFAOYSA-N	319.317	2.245	70	20	DEID	
C[C@H]1CC(=O)CC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)F)cc1	185107049	YHMVXWDVZBIOAF-ZANVPECISA-N	313.350	2.289	70	20	DEID	
CC[C@H]1CC[C@H](C(=O)Nc2cccc(S(=O)(=O)F)c2)O1	460093243	NYJISGSAZKEYLK-CMPLNLGQSA-N	301.339	2.241	70	20	DEID	
O=C(CCc1ccc(S(=O)(=O)F)cc1)N1CCC(F)CC1	1121138607	UPQZGJLENIJMII-UHFFFAOYSA-N	317.357	2.238	70	20	DEID	
CC(C)(NC(=O)c1cc(S(=O)(=O)F)c[nH]1)c1ccccc1	1339472329	NFBHXUMKNWRRBE-UHFFFAOYSA-N	310.350	2.338	70	20	DEID	
COCCN(CC(C)C)C(=O)c1cnn(C2CCOCC2)c1C	161061556	WRTYIVFEHBCFHJ-UHFFFAOYSA-N	323.437	2.288	70	20	DEID	
C[C@@H]1C[C@H](NCCCc2nnc3n2CCCCC3)CCN1C	161134001	RBIKPGZQYBWKDB-HUUCEWRRSA-N	305.470	2.009	70	20	DEID	
CCO[C@@H](C)C(=O)NCc1ccc(COC2CCOCC2)cc1	161456212	SSVKMWJFLHHZNZ-AWEZNQCLSA-N	321.417	2.423	70	20	DEID	
COC[C@@H](O)CCNC(=O)c1cccc(Oc2ccncc2)c1	161474658	VQEMHNONGWAECL-AWEZNQCLSA-N	316.357	2.001	70	20	DEID	
COC(=O)c1cccc(NC(=O)N2CCC[C@@H]2C[C@H](C)O)c1	160018449	NHMUNROWSFJGRY-SMDDNHRTSA-N	306.362	2.240	70	20	DEID	
CCCCN(CCO)C(=O)Nc1ccc(C(C)(C)C(N)=O)cc1	160038159	FCXSOAUAKDFZCV-UHFFFAOYSA-N	321.421	2.076	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)Cc1cc(Cl)ccc1OC	160334806	HSMWOHFNDDNTNE-JTQLQIEISA-N	313.781	2.349	70	20	DEID	
Cn1cnc(-c2ccc(NC(=O)N[C@H]3CCCSC3)cc2)n1	160647556	HUXAEENVDXHLPE-ZDUSSCGKSA-N	317.418	2.499	70	20	DEID	
CC[C@@H](C(=O)NCC1CCN(CCO)CC1)c1ccccc1	160651604	GJZZUHVYOGSKHE-QGZVFWFLSA-N	304.434	2.001	70	20	DEID	
CN[C@H]1CCN(C(=O)CCOc2ccc(F)cc2Cl)C1	160659554	WXZIPCXLFSCESD-NSHDSACASA-N	300.761	2.068	70	20	DEID	
COc1cc(F)ccc1NC(=O)C(=O)N1CCC2(CCC2)C1	159467211	SZRLYELVFYWWMD-UHFFFAOYSA-N	306.337	2.175	70	20	DEID	
Cc1c(NC(=O)C(=O)NCC(C)C)cnn1-c1ccccc1F	159952170	MSFSHPQDKKGOSQ-UHFFFAOYSA-N	318.352	2.031	70	20	DEID	
COc1ccc(O)c(NC(=O)c2ncn(-c3ccccc3)n2)c1	159953510	QYEDZCSGFRNFBS-UHFFFAOYSA-N	310.313	2.234	70	20	DEID	
CC(C)N1CC[C@H](Nc2ccccc2O[C@H]2CCOC2)C1=O	159963043	RVYMWFMGHUNLJY-ZFWWWQNUSA-N	304.390	2.276	70	20	DEID	
CO[C@H](C)c1nc(CSCCN2CCOCC2)cs1	160001294	MCHBPVSTPHKPFD-LLVKDONJSA-N	302.465	2.416	70	20	DEID	
CCCNC(=O)C[C@@H]1CSCCN1C(=O)OC(C)(C)C	159592424	SLQKKLAMZZVWJV-LLVKDONJSA-N	302.440	2.255	70	20	DEID	
CC(C)COCCCNC(=O)c1ccc(S(=O)(=O)F)cc1	865205916	OTSKFQJYOZARSG-UHFFFAOYSA-N	317.382	2.137	70	20	DEID	
C[C@H](Cc1ccccn1)NC(=O)c1cccc(S(=O)(=O)F)c1	1337490974	LOAJUZUECVRDIA-LLVKDONJSA-N	322.361	2.101	70	20	DEID	
C[C@H]1CCCC[C@@]1(C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1262788340	ZIHGXYLVJNVNRX-TVQRCGJNSA-N	302.371	2.372	70	20	DEID	
CN(CCCNC(=O)NOCc1cccnc1)c1ccccc1	161010434	PRKAHMNKVMTWAP-UHFFFAOYSA-N	314.389	2.339	70	20	DEID	
CCN(Cc1cnn(C)c1)[C@@H](C)C(=O)NCC1CCCCC1	161072237	AEMWINMMSPUBRN-AWEZNQCLSA-N	306.454	2.327	70	20	DEID	
CCN(CC(=O)N(C)Cc1ccccc1F)Cc1cnn(C)c1	161095500	PEBYERTVQZEQCH-UHFFFAOYSA-N	318.396	2.040	70	20	DEID	
CCOc1ccc(C(=O)CCC(=O)N[C@H]2CCC[C@H](N)C2)cc1	161174083	RGUFFCYMIWZSBJ-GJZGRUSLSA-N	318.417	2.434	70	20	DEID	
COC(=O)CCNC(=O)CN1c2ccccc2S[C@H](C)[C@H]1C	161228317	IEQVCUMOYBOMLH-VXGBXAGGSA-N	322.430	2.055	70	20	DEID	
CC(=O)NC(C)(C)c1noc(CSCc2cscn2)n1	161352910	XUNXTKCNCZKFCD-UHFFFAOYSA-N	312.420	2.331	70	20	DEID	
C[C@@H]1CC[C@@H](C)N1C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O	161469361	TULHSGAHPPVAKZ-VXGBXAGGSA-N	322.430	2.022	70	20	DEID	
Cc1nc(NC(=O)Cn2c(C)c(C)sc2=O)cc(C2CC2)n1	160311234	IWUXAZYUYGCLRO-UHFFFAOYSA-N	318.402	2.141	70	20	DEID	
COC(=O)c1csc(NC(=O)C(=O)N[C@@H]2CCC[C@@H](C)C2)c1	160353817	QJLIYMSUXAWVOH-MWLCHTKSSA-N	324.402	2.168	70	20	DEID	
NC(=O)[C@H](NCCCOc1ccccc1)c1ccc(F)cc1	160715099	DUSQGVFIPFLHDC-MRXNPFEDSA-N	302.349	2.411	70	20	DEID	
COC(=O)CCCc1nnc(NC(=O)NC2CCCC2)s1	160746371	IQLFMUKVSYYUTM-UHFFFAOYSA-N	312.395	2.098	70	20	DEID	
COC(=O)c1csc(NC(=O)NCCCC(C)(C)CO)c1	160886390	WJNYIAASOVVTDF-UHFFFAOYSA-N	314.407	2.455	70	20	DEID	
CN(C(=O)c1cc(N2CCNC2=O)ccc1F)c1nccs1	159629459	HSJWUQUNTHDVDA-UHFFFAOYSA-N	320.349	2.088	70	20	DEID	
NC1(CNC(=O)/C=C/c2ccc3c(c2)OCO3)CCCCC1	159653062	LXMWXXVAWHYITF-FNORWQNLSA-N	302.374	2.206	70	20	DEID	
CCCN(CCO)C(=O)Nc1ccc(CCC(=O)OCC)cc1	159660583	SGHRYOITDNJKBR-UHFFFAOYSA-N	322.405	2.419	70	20	DEID	
C[C@@H]1CSc2ccccc2N(C(=O)[C@@H]2CC(=O)N(C)C2)C1	159505516	LIZFNVBLFHSIEL-NWDGAFQWSA-N	304.415	2.240	70	20	DEID	
CCN1CCCN(C(=O)NC[C@H](c2ccccc2)N(C)C)CC1	159518894	VSDJSXNWDKJXSR-QGZVFWFLSA-N	318.465	2.027	70	20	DEID	
CN(CCc1ccccc1)C(=O)c1csc(S(C)(=O)=O)c1	159924344	ALYKLNWVCHEHCS-UHFFFAOYSA-N	323.439	2.466	70	20	DEID	
C[C@@H](c1ccccc1)N(C)C(=O)CSCCN1CCOCC1	159924756	CAZORQGDYQKFJP-HNNXBMFYSA-N	322.474	2.271	70	20	DEID	
Cc1cc(F)c(C(=O)NCC(C)(C)N2CCOCC2)cc1F	159535482	NBBNATMFEMZTKQ-UHFFFAOYSA-N	312.360	2.114	70	20	DEID	
C[C@H](O)C[C@H](CNC(=O)[C@@H]1CC12CCOCC2)c1ccccc1	159539582	QVMSCNOBDWTULG-UAGQMJEPSA-N	317.429	2.474	70	20	DEID	
O=C(CCCNC(=O)c1cccnc1)NCc1ccccc1F	159772380	JRYQGTPBTIOPAG-UHFFFAOYSA-N	315.348	2.047	70	20	DEID	
Cc1nn(C)c(C)c1C(=O)NCc1nc2cccc(C)c2n1C	159795543	QNCXLBWSNDANIR-UHFFFAOYSA-N	311.389	2.162	70	20	DEID	
O=C(CSc1nncs1)N[C@@H]1CCOC2(CCCC2)C1	160102277	GAPCFLZACUPRKP-SNVBAGLBSA-N	313.448	2.238	70	20	DEID	
CC(=O)N1CCCc2cc(NC(=O)c3cccnc3O)ccc21	160308538	OWERNSQUSBLAJS-UHFFFAOYSA-N	311.341	2.339	70	20	DEID	
Cn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)Nc2ccsc2)C1	160503020	OHTXALZNGVEWBQ-AAEUAGOBSA-N	320.418	2.459	70	20	DEID	
Cc1nc2n(n1)C[C@@H](N[C@@H](C)c1ccc(F)cc1N(C)C)CC2	160509816	BPURFPFCWWUGFH-FZMZJTMJSA-N	317.412	2.457	70	20	DEID	
CC(C)NCCC(=O)N(C)[C@H]1CCCN(c2ccccc2)C1=O	160943210	WILZZZDMCVNCLQ-INIZCTEOSA-N	317.433	2.029	70	20	DEID	
Cc1ccc(Cl)cc1S(=O)(=O)NC1(C)CCOCC1	160988854	XTYILIZUBIFERW-UHFFFAOYSA-N	303.811	2.496	70	20	DEID	
CCCOc1ccc(CNC(=O)N2CCCN(CC)CC2)cn1	159834495	MTWDNVSAOIZQOX-UHFFFAOYSA-N	320.437	2.108	70	20	DEID	
CCn1nnnc1-c1cccc(N[C@H](C)CCn2cccn2)c1	159466463	WIFPOUUJKFAOCC-CYBMUJFWSA-N	311.393	2.447	70	20	DEID	
C#C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)F)cc1)C(C)(C)C	1339074252	ZRQUISUGHUKEAR-CYBMUJFWSA-N	311.378	2.051	70	20	DEID	
COC(=O)c1csc(NC(=O)N(C)CCCn2ccnc2)c1	161040154	UPOCDZBRMCWAGS-UHFFFAOYSA-N	322.390	2.285	70	20	DEID	
CC(=O)NC[C@@H]1CCCN(C(=O)c2cnc(C(C)C)s2)C1	161044643	VMUMQYRYQHGQHM-LBPRGKRZSA-N	309.435	2.255	70	20	DEID	
COCC1CCN(C(=O)Nc2cc(C(=O)OC)cs2)CC1	161073099	VDKGHVJYCAOMGH-UHFFFAOYSA-N	312.391	2.425	70	20	DEID	
CCN1CCCC[C@@H]1CNC(=O)NCCc1ccncc1C	161133917	YHAMKVABZFPTRX-MRXNPFEDSA-N	304.438	2.106	70	20	DEID	
CCOc1ccccc1-n1nnnc1SCc1ccnn1C	161217517	XIORAESJFSUHLR-UHFFFAOYSA-N	316.390	2.087	70	20	DEID	
CCc1nc2c(s1)[C@H](N(C)C(=O)C[C@@H]1COC(=O)C1)CCC2	161240410	DLUOISUNZSJHQB-CMPLNLGQSA-N	322.430	2.495	70	20	DEID	
CCOc1ccc(NC(=O)CNC(=O)NC2(C)CCC2)cc1	160021110	QZSUNPKOWYJVGC-UHFFFAOYSA-N	305.378	2.266	70	20	DEID	
C[C@]1(NC(=O)Nc2ccccc2N2CCCC2=O)CCOC1	160107934	GHXPXGLMTKZFSS-INIZCTEOSA-N	303.362	2.114	70	20	DEID	
C[C@@H](N[C@@H]1CCCN(c2ccccc2F)C1=O)[C@H]1CCOC1	160202819	HUSKGZVCFXMTBH-VNHYZAJKSA-N	306.381	2.336	70	20	DEID	
CS[C@H](C)CNC(=O)NCCOc1ccc(Cl)cn1	160397066	BJGIDOQRLRONFG-SECBINFHSA-N	303.815	2.165	70	20	DEID	
CCC(N)(CC)CNC(=O)c1cccc(CN2CCCC2=O)c1	160492176	MZQZSJKJVRZMQA-UHFFFAOYSA-N	317.433	2.056	70	20	DEID	
C[C@H](CC(=O)NCC1CCN(CCO)CC1)c1ccccc1	160720246	VTJNFKHJLXDGCJ-OAHLLOKOSA-N	304.434	2.001	70	20	DEID	
CC(C)c1csc(CNC(=O)c2cnc3c(c2)ncn3C)n1	160851410	CFISWUGYSPLYBG-UHFFFAOYSA-N	315.402	2.478	70	20	DEID	
O=C(Nc1cc(F)c(F)cc1F)C(=O)N1CCC2(CCC2)C1	159404335	NLNCLXMAEWEPQH-UHFFFAOYSA-N	312.291	2.445	70	20	DEID	
CCOCc1ccccc1CNC(=O)NCc1cnn(C)c1C	159631979	JRKNYTVMJILIGX-UHFFFAOYSA-N	316.405	2.264	70	20	DEID	
CC(=O)N1CC[C@@H](NC(=O)c2cccc(OC3CCCC3)c2)C1	159640288	OMILIXICSFXRAN-OAHLLOKOSA-N	316.401	2.359	70	20	DEID	
CONC(=O)[C@@H](C)CC(=O)c1cccc(Br)c1	159855312	QBNWBIYACTZVRX-QMMMGPOBSA-N	300.152	2.336	70	20	DEID	
C[C@H](c1cccs1)N(C)C(=O)NC[C@H]1CCCS1(=O)=O	159891131	RJJOQGXPKKCEGY-GHMZBOCLSA-N	316.448	2.028	70	20	DEID	
COc1cc2c(c(CN3CCC(CC(N)=O)CC3)c1)O[C@@H](C)C2	159726433	MPVVAEQURKEVHG-LBPRGKRZSA-N	318.417	2.106	70	20	DEID	
Cc1ncsc1C(=O)Nc1cccn(CC(F)(F)F)c1=O	159364453	QISIFLDUDZDGQL-UHFFFAOYSA-N	317.292	2.428	70	20	DEID	
CC(C)C[C@H](C)OCCC(=O)N1CCC(n2ccnn2)CC1	159950694	GJQLVFFBWAGHRZ-AWEZNQCLSA-N	308.426	2.283	70	20	DEID	
CCOC(C)(C)CNc1ccccc1S(=O)(=O)N(C)C	159522366	LSNRLKVUDZEKSG-UHFFFAOYSA-N	300.424	2.164	70	20	DEID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)C(F)(F)C(F)F	187235498	QCJLXPLCRRTCEJ-UHFFFAOYSA-N	303.208	2.184	70	20	DEID	
CC(C)N1C[C@@H](NC(=O)NCCc2ccccc2Cl)CC1=O	217289223	VUIUWBSNCLRJTI-ZDUSSCGKSA-N	323.824	2.191	70	20	DEID	
O=C(COCC1CCCC1)Nc1cccc(S(=O)(=O)F)c1	460095058	RDGLTHYZGYTVBV-UHFFFAOYSA-N	315.366	2.490	70	20	DEID	
O=C(c1ccc(S(=O)(=O)F)cc1)N1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1	864241794	LFKTVVBJUKNDIP-DDHJSBNISA-N	323.389	2.463	70	20	DEID	
O=[N+]([O-])c1ccc(N2CCC(F)CC2)c(CS(=O)(=O)F)c1	882804170	VNSLRCLEYUECDR-UHFFFAOYSA-N	320.317	2.332	70	20	DEID	
Cc1ncc(NC(=O)c2cccc(S(=O)(=O)F)c2)s1	1337520080	PJEDAHHMUZFQRV-UHFFFAOYSA-N	300.336	2.362	70	20	DEID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N1CCSC[C@H]1C	1337168140	HVSOOTXQKAHREI-SNVBAGLBSA-N	317.407	2.231	70	20	DEID	
C[C@H](Cc1ccc(Cl)cc1)C(=O)NCC(=O)N1CCCC1	161305377	TVPXFCYTYNCBFQ-GFCCVEGCSA-N	308.809	2.257	70	20	DEID	
C[C@H](NC(=O)CCC(=O)NC1CCCC1)c1cccc(O)c1	160263582	QJGYVBRGQWUECE-LBPRGKRZSA-N	304.390	2.408	70	20	DEID	
CCc1sc(C(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)cc1C	160574958	KSYDZJSHDUOMMR-VXGBXAGGSA-N	306.431	2.360	70	20	DEID	
Cc1n[nH]c(C)c1NC(=O)c1ccc(C(=O)NC(C)C)cc1	160793152	TZEYNEQHVHUERQ-UHFFFAOYSA-N	300.362	2.417	70	20	DEID	
Cc1nc(CC(=O)Nc2ccnn2C[C@@H]2CCOC2)c(C)s1	160797673	ZGHNAUQAAZJDGL-LBPRGKRZSA-N	320.418	2.174	70	20	DEID	
COc1ccc(CCN(CC(C)C)C(=O)[C@H](C)N)cc1OC	160882526	AKCMNDBDXAFJTC-ZDUSSCGKSA-N	308.422	2.078	70	20	DEID	
C[C@H](C(=O)N1CCC[C@H](N2CCCC2=O)C1)c1cccs1	159808350	CSQFEQKSDGSJII-STQMWFEESA-N	306.431	2.465	70	20	DEID	
COC[C@@]1(C)NC(=O)N(CCSc2ccc(C)c(C)c2)C1=O	159415271	QDFMOHSRSYNEGR-MRXNPFEDSA-N	322.430	2.352	70	20	DEID	
CN(C)c1ccc(C(=O)N2CC[C@@H]3CC[C@H](C2)N3C)c(F)c1	159455706	RYLDBHWVCRCVFI-GXTWGEPZSA-N	305.397	2.200	70	20	DEID	
Cc1cccc([C@@H]2CCCN2CC(=O)NCC(F)(F)F)n1	159859328	SMNGPGLPTRYIKP-LBPRGKRZSA-N	301.312	2.205	70	20	DEID	
Cc1noc(C)c1[C@H](C)CNC(=O)NC[C@H](C)N(C)C1CC1	159863343	RQUZATFTVLBMDU-MNOVXSKESA-N	308.426	2.177	70	20	DEID	
COc1ccc(S(=O)(=O)N(C)[C@H]2CCSC2)c(C)c1	159387472	QVAXWVGAUKKCCQ-NSHDSACASA-N	301.433	2.130	70	20	DEID	
CCn1ncc(C)c1NC(=O)c1cccc(S(=O)(=O)F)c1	1337492881	XGWNISXBAJJKHY-UHFFFAOYSA-N	311.338	2.122	70	20	DEID	
CC1(C)C(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1(C)C	1354884648	HDADAGKOEBLYAK-UHFFFAOYSA-N	302.371	2.085	70	20	DEID	
CC(C)CCC(=O)NCC(=O)N[C@@H](C)CC(=O)c1cccs1	161036406	KQUOCERQHFZQKW-LBPRGKRZSA-N	324.446	2.378	70	20	DEID	
O=C(CC1CCCC1)NCC(=O)Nc1nnc(C(F)F)s1	161091747	QZXBELJUDPYUPG-UHFFFAOYSA-N	318.349	2.111	70	20	DEID	
Cc1ccc(OCCNC(=O)N[C@H](CCO)C(C)(C)C)cc1	161197136	MALHLRMEHZOMIM-OAHLLOKOSA-N	308.422	2.470	70	20	DEID	
COC[C@@H](O)CCNC(=O)[C@@H](OC(C)(C)C)c1ccccc1	161256894	FHNOSHSNHLONDE-GJZGRUSLSA-N	309.406	2.056	70	20	DEID	
CN(c1ccccc1NC(=O)[C@H]1CC=CCC1)S(C)(=O)=O	161391428	GLDCVSNPFLBGAX-LBPRGKRZSA-N	308.403	2.377	70	20	DEID	
C[C@H]1CC[C@@H](C)N1C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O	161469158	TULHSGAHPPVAKZ-TXEJJXNPSA-N	322.430	2.022	70	20	DEID	
Cc1nc(-c2cccc(NC(=O)c3ccc(O)nc3C)c2)n[nH]1	160145794	QNZBBTQHWARJAB-UHFFFAOYSA-N	309.329	2.441	70	20	DEID	
C[C@@H]1CN(C(=O)c2cnc(C(F)(F)F)nc2)CC(C)(C)O1	160307607	YPCDOUAGLMAZRY-MRVPVSSYSA-N	303.284	2.135	70	20	DEID	
CC(C)(C)CCCC(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O	160551820	VKKWPIKMNWQUNC-STQMWFEESA-N	318.483	2.037	70	20	DEID	
CC[C@H](NC(=O)CNC(=O)OC(C)(C)C)c1c(C)noc1C	160651774	GSFNDDORAWKLIN-NSHDSACASA-N	311.382	2.383	70	20	DEID	
O=C(N[C@@H]1CCN(CC2CC2)C1)N1CCC[C@H]1c1ccc[nH]1	160741642	HGOCJZAOKDJCHB-ZBFHGGJFSA-N	302.422	2.346	70	20	DEID	
COCc1ccccc1NC(=O)NCCCNC(=O)C(C)C	160829818	GYGXBSPPMIVKST-UHFFFAOYSA-N	307.394	2.117	70	20	DEID	
CNC(=O)c1cccc(CNC(=O)N2CCC3(CCC3)C2)c1	160840455	MPYQJFLBVRPLAF-UHFFFAOYSA-N	301.390	2.132	70	20	DEID	
COc1cc(N(C)C(=O)[C@H]2CCC[C@@H](N)C2)cc(OC)c1OC	160854767	FURXQVYXBSRUIG-NWDGAFQWSA-N	322.405	2.193	70	20	DEID	
Cc1ccnc(-c2ccc(NC(=O)[C@H]3CSCN3)cc2)n1	160877497	ZMLFNXOCPYIWGT-CYBMUJFWSA-N	300.387	2.053	70	20	DEID	
CC(C)c1cc(=O)n(CC(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)cn1	160898524	GNDPCGVBSBXOFS-TUVASFSCSA-N	317.433	2.308	70	20	DEID	
C[C@H](N1CCN(Cc2cnc3ccccn23)CC1)C(F)(F)F	160963344	ZPIPOHSEFGYUSJ-LBPRGKRZSA-N	312.339	2.403	70	20	DEID	
CCc1cccc(C)c1NC(=O)NCC1(CO)CCOCC1	159616738	DTARKJWHOYDTNJ-UHFFFAOYSA-N	306.406	2.468	70	20	DEID	
COC(=O)[C@H]1C[C@H]1C(=O)N[C@@H](c1cccc(C)c1)c1ccccn1	159918722	PIHPDFTXCBVEAS-VYDXJSESSA-N	324.380	2.405	70	20	DEID	
O=C(N[C@@H]1CCOC2(CCCC2)C1)[C@@H]1CCc2cn[nH]c2C1	159773389	HBVWIUZDLUVTJT-TZMCWYRMSA-N	303.406	2.123	70	20	DEID	
C[C@H]1CCc2nc(CN3CCC(CC(N)=O)CC3)sc2C1	159782195	DYIDAYOVSJXYBQ-NSHDSACASA-N	307.463	2.355	70	20	DEID	
COc1ccccc1NC(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1	217285462	YGVCSGSFGJVQKA-NSHDSACASA-N	305.378	2.216	70	20	DEID	
CC1(C)CN(c2ccc([N+](=O)[O-])cc2CS(=O)(=O)F)C1	882282728	XWVDPONWUYUYNT-UHFFFAOYSA-N	302.327	2.240	70	20	DEID	
Cc1ccc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)c(C)c1O	1346641262	DHODSNJMAUVYDR-UHFFFAOYSA-N	312.322	2.248	70	20	DEID	
COc1ccc(CN2CCC([C@H](O)C(F)(F)F)CC2)cn1	161201040	OLNMQHWRFSCPEG-ZDUSSCGKSA-N	304.312	2.225	70	20	DEID	
CCn1cnnc1[C@H]1CCCN([C@@H](C)c2nc(C3CC3)no2)C1	161339673	ZKBUSRKOJKDUPG-AAEUAGOBSA-N	316.409	2.499	70	20	DEID	
CC(=O)Nc1ccc(O)c(C(=O)N2CC[C@H](OCC(C)C)C2)c1	161504044	BOAAIXLEOJMGHV-AWEZNQCLSA-N	320.389	2.238	70	20	DEID	
CCc1n[nH]c(=O)c(CNC(=O)/C=C/c2cccs2)c1CC	160145302	MPWIDQKZLQFMAO-BQYQJAHWSA-N	317.414	2.286	70	20	DEID	
C[C@@H](C(=O)NCCS(=O)(=O)C(C)(C)C)c1cccs1	160217734	ONIYGCCHXFZCPL-SNVBAGLBSA-N	303.449	2.181	70	20	DEID	
CCOC(=O)[C@@H](CC)Sc1nc(C(C)C)nc(N(C)C)n1	160285418	PCFAFFSUHMESDO-SNVBAGLBSA-N	312.439	2.495	70	20	DEID	
O=C1CCCC[C@@H]1[C@H]1COCCN1C(=O)c1ccc(F)cc1	160496428	CGSDDMLDQZVFIB-HUUCEWRRSA-N	305.349	2.426	70	20	DEID	
C[C@H](Oc1cccc(Cl)c1)C(=O)N1C[C@@H]2CCC[C@H](C1)N2	160541481	QQXSVMQCHVTVAL-FPMFFAJLSA-N	308.809	2.460	70	20	DEID	
CC(C)c1cc(=O)n(CC(=O)N[C@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)cn1	160898754	GNDPCGVBSBXOFS-KBUPBQIOSA-N	317.433	2.308	70	20	DEID	
C[C@@H]1CC(=O)CC[C@H]1C(=O)NC[C@@H](c1ccccc1)N(C)C	160926519	PKOSIUUKWKMVAN-XYPHTWIQSA-N	302.418	2.411	70	20	DEID	
CC(C)c1ncc(CN2CCN(C(=O)[C@H]3CCCO3)CC2)s1	160967195	ZPBDNYVUVBIGQT-CQSZACIVSA-N	323.462	2.090	70	20	DEID	
C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)NCC1(CO)CCOCC1	159420351	TXZICQTWCBGWGK-KGLIPLIRSA-N	312.454	2.290	70	20	DEID	
C[C@H](CNC(=O)[C@@H]1CCn2ccnc2C1)N1CCc2ccccc21	159664621	ADVBXLCMFGWUFV-GDBMZVCRSA-N	324.428	2.013	70	20	DEID	
COC[C@@H](NC(=O)C[C@H]1CSCCS1)c1ccco1	159905935	YDCUFGFDSYCXSK-WDEREUQCSA-N	301.433	2.322	70	20	DEID	
CC(C)(CC(=O)NC[C@@H](O)CN1CCCCC1)c1ccccc1	159914329	IOKISIBPHXHBAN-QGZVFWFLSA-N	318.461	2.317	70	20	DEID	
COc1cccc2c1CC[C@H]2NC(=O)[C@@H]1CCc2cn[nH]c2C1	159924916	UVDSVJKFNALCMH-IAQYHMDHSA-N	311.385	2.327	70	20	DEID	
CS(=O)(=O)CCN(C(=O)Nc1cccc(Cl)c1)C1CC1	159779120	MIEOJXIDLBWZGB-UHFFFAOYSA-N	316.810	2.381	70	20	DEID	
CC(C)C(=O)N1CCc2ccc(S(=O)(=O)Cl)cc2CC1	100638737	ODEDNXSMUHJTRH-UHFFFAOYSA-N	315.822	2.197	70	20	DEID	
O=C(NC[C@H]1CCCCC1(F)F)c1cc(S(=O)(=O)F)c[nH]1	1123727834	QQUCCPAMLIMQKE-MRVPVSSYSA-N	324.324	2.228	70	20	DEID	
CC(C)COCCCNC(=O)c1cccc(S(=O)(=O)F)c1	1262673531	RBTRQDFOQUGZSC-UHFFFAOYSA-N	317.382	2.137	70	20	DEID	
CN(C)[C@H]1CCC[C@H](NC2CCN(CC(F)(F)F)CC2)C1	161021990	CYCFWKFBELUSQA-KBPBESRZSA-N	307.404	2.476	70	20	DEID	
CCc1n[nH]c(-c2ccccc2NC(=O)Cc2cc(C)[nH]n2)n1	161057605	DWHWEVDHMUEXBT-UHFFFAOYSA-N	310.361	2.247	70	20	DEID	
CSCC[C@H](N)C(=O)Nc1ccc(-n2cc(C)cn2)c(F)c1	161233684	PXEZLVQOMFLHRS-ZDUSSCGKSA-N	322.409	2.339	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)[C@@H]1CCCN1Cc1ccccc1	160101659	QDGXVLNOCSBKOB-HOCLYGCPSA-N	318.417	2.109	70	20	DEID	
CC(C)OC(=O)CCCNC(=O)N1CCCC[C@@H]1c1ncc[nH]1	160138071	NHYHWHCFKNAELL-CYBMUJFWSA-N	322.409	2.378	70	20	DEID	
CC[C@@H](COC)NS(=O)(=O)c1ccc(OC)c(Cl)c1	160313182	NHBBUYQFRLCALV-VIFPVBQESA-N	307.799	2.052	70	20	DEID	
COc1ccc([C@H](C)N[C@@H]2CCc3nc(C)nn3C2)c(F)c1	160328817	BLKKNMCVRXUURX-CMPLNLGQSA-N	304.369	2.400	70	20	DEID	
CCCOc1cccc(C(=O)NC[C@@H](O)CN2CCCCC2)c1	160519575	PSSZJXNJNKKDCA-MRXNPFEDSA-N	320.433	2.052	70	20	DEID	
CN(Cc1ccccc1OC(F)(F)F)Cc1nncn1C	160747961	OIRBORVLSWMXEW-UHFFFAOYSA-N	300.284	2.346	70	20	DEID	
O=S(=O)(NCC1(O)CCCCCC1)C1Cc2ccccc2C1	160975138	SQQCTBBQFDTTBK-UHFFFAOYSA-N	323.458	2.159	70	20	DEID	
Cn1cc(CCC(=O)NCCOc2ccccc2Cl)cn1	159427574	CSQIXOAFLNMECM-UHFFFAOYSA-N	307.781	2.201	70	20	DEID	
C[C@H](N)C(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1	159852929	GFMAEMFFJAGFBX-LBPRGKRZSA-N	324.446	2.220	70	20	DEID	
Cc1ccc(NC(=O)C(=O)NC[C@H]2CSCCS2)c(C)c1	159674603	PXUMJUAFUFPKEB-LBPRGKRZSA-N	324.471	2.207	70	20	DEID	
O=S(=O)(NCc1ccncc1)c1ccccc1OC(F)F	159514492	LRROQRBOTPZKQM-UHFFFAOYSA-N	314.313	2.162	70	20	DEID	
CN(CC[C@H]1CCCCN1C)C(=O)NCCc1cscn1	159370009	RKNCZGPCYBCQFJ-CQSZACIVSA-N	310.467	2.201	70	20	DEID	
CCCCOc1ccccc1NC(=O)NCC[C@H](O)COC	159799288	YZRCVAZXKWZNSH-ZDUSSCGKSA-N	310.394	2.384	70	20	DEID	
O=[N+]([O-])c1ccc(N2CC[C@H]3C[C@@H]3C2)c(CS(=O)(=O)F)c1	882627083	FFMOZBYMNWGGDA-VHSXEESVSA-N	314.338	2.240	70	20	DEID	
COC(C)(C)CN(C)C(=O)c1ccc(S(=O)(=O)F)cc1C	1338865834	HDJQIVKBYNYMRF-UHFFFAOYSA-N	317.382	2.150	70	20	DEID	
CC[C@@](C)(CNC(=O)c1ccc(S(=O)(=O)F)cc1C)OC	1354979000	CPDJQKUYBJUOGG-AWEZNQCLSA-N	317.382	2.198	70	20	DEID	
CCOc1ccccc1CNC(=O)C(=O)Nc1ccc(C)nc1	161240089	YNLREPZXWIOGPW-UHFFFAOYSA-N	313.357	2.044	70	20	DEID	
CCC(C)(C)C(=O)N[C@@H]1CCN(c2ccccc2OC)C1=O	161376457	OCDROMKIJCNVAT-GFCCVEGCSA-N	304.390	2.353	70	20	DEID	
Cc1ccsc1C(=O)N(C)CC(C)(C)CN1CCOCC1	160056053	BAEPTERWEOWYEC-UHFFFAOYSA-N	310.463	2.487	70	20	DEID	
CCOC(=O)c1ccc(S(=O)(=O)NCC2(C3CC3)CC2)cc1	160162460	CIYTWDPIKWDDFG-UHFFFAOYSA-N	323.414	2.332	70	20	DEID	
CCc1n[nH]c(=O)c(CNC(=O)N(C)C[C@@H](C)CC)c1CC	160291224	XUFQYAPBGNWZBW-NSHDSACASA-N	308.426	2.082	70	20	DEID	
CCC(N)(CC)CNC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2	160447462	BATWHWOQVHSFGD-JTQLQIEISA-N	321.446	2.367	70	20	DEID	
CC[C@@H](NC(=O)Nc1cccc(C(=O)NC)c1C)[C@@H]1CCCO1	160490601	HSHNLANJKOXUAQ-HIFRSBDPSA-N	319.405	2.434	70	20	DEID	
CCC(N)(CC)CNC(=O)c1cccnc1OCC(F)(F)F	160548326	URXPAOSVBWJFMP-UHFFFAOYSA-N	319.327	2.270	70	20	DEID	
COC(=O)C[C@@H](C)C(=O)NC[C@@H](Nc1ccccc1)C(C)C	160570215	XLJOAYRXATUTLK-UKRRQHHQSA-N	306.406	2.439	70	20	DEID	
COc1ccc(NC(=O)[C@@H](C)N)cc1NC(=O)C1CCCCC1	160920445	FSPHNTILHUOYPJ-LLVKDONJSA-N	319.405	2.500	70	20	DEID	
O=C([C@H]1CCCO1)N1CCN(Cc2coc3ccccc23)CC1	160978630	ZIZYIWVKTXDBPS-QGZVFWFLSA-N	314.385	2.256	70	20	DEID	
CC[C@@H](O)CCNC(=O)c1cc(OC)c(OC)cc1Cl	159854365	JKBKWHUNBOQQBI-SECBINFHSA-N	301.770	2.248	70	20	DEID	
CCN1CCCN(C(=O)NC[C@H](C)Oc2ccccc2F)CC1	159920877	CZHCFVKUTZDUDK-AWEZNQCLSA-N	323.412	2.330	70	20	DEID	
Cc1noc(C)c1N(C)C(=O)Nc1ccc2c(c1)oc(=O)n2C	159953883	BUUUVLMPQOADHP-UHFFFAOYSA-N	316.317	2.405	70	20	DEID	
COc1ccc(CNC(=O)c2cccc(S(=O)(=O)F)c2)cc1	1337667575	TVYLHLDNQPLUSK-UHFFFAOYSA-N	323.345	2.283	70	20	DEID	
C[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H](C)C1	1340813426	VZWRIBTYRUZFBT-NXEZZACHSA-N	302.371	2.181	70	20	DEID	
Cc1ncc([C@H](C)N[C@H](C)C(=O)NCc2ccccc2)c(C)n1	161190846	STCDLFNHRWUVJJ-GXTWGEPZSA-N	312.417	2.449	70	20	DEID	
COC[C@@H](O)CCNC(=O)C(c1ccccc1)c1ccccc1	161490709	OFKGJJRJBHZTML-KRWDZBQOSA-N	313.397	2.332	70	20	DEID	
CC(C)Nc1ccc(C(=O)N[C@H](C)C(=O)OC(C)(C)C)cn1	160108420	POKQSBAODGIWDJ-LLVKDONJSA-N	307.394	2.362	70	20	DEID	
Cc1cc(N2CCN(C(=O)C3(C)CC3)CC2)nc(C(C)C)n1	160147344	ZMUQGYHXVRZWFM-UHFFFAOYSA-N	302.422	2.357	70	20	DEID	
Cc1nc(-c2cccc(NC(=O)[C@H](O)c3ccccc3)c2)n[nH]1	160227584	MDNZDXAYENIQIP-OAHLLOKOSA-N	308.341	2.452	70	20	DEID	
Cc1ccccc1Cc1nnn(Cc2ncc(Cl)n2C)n1	160478455	YDUWYQGYTLNHDB-UHFFFAOYSA-N	302.769	2.008	70	20	DEID	
COCc1nc(C)c(C(=O)N2CCC[C@H](c3ccn[nH]3)C2)s1	160605242	VMDCNZOWEMCDMW-NSHDSACASA-N	320.418	2.341	70	20	DEID	
Cc1cccc(O[C@H](C)CNC(=O)c2cnc3c(c2)ncn3C)c1	160621892	GDSDJFGSJVPPHP-CYBMUJFWSA-N	324.384	2.474	70	20	DEID	
COc1ccc(CCCC(=O)N2CCC(CO)CC2)c(OC)c1	160885670	ZGTBWEKSWLLMFI-UHFFFAOYSA-N	321.417	2.257	70	20	DEID	
C[C@H](CCn1cccn1)Nc1cccc(CS(C)(=O)=O)c1	159434041	OKWPRLIDZRYOKA-CYBMUJFWSA-N	307.419	2.318	70	20	DEID	
O=C(NCCO)[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1	159500086	XLYNCJKUZAXRCG-QZTJIDSGSA-N	311.381	2.478	70	20	DEID	
CCS(=O)(=O)c1cccc(CC(=O)N(C)CC2CCC2)c1	159955267	OWFNNCZZZMLSOB-UHFFFAOYSA-N	309.431	2.281	70	20	DEID	
CCOC1CC(CC(=O)Nc2ccc(S(=O)(=O)F)cc2)C1	189194631	BMELAKPQDIBLCN-UHFFFAOYSA-N	315.366	2.489	70	20	DEID	
CCn1ccnc(N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)c1=O	160223425	NKVKBQYCEMZABK-GOEBONIOSA-N	312.417	2.196	70	20	DEID	
C#C[C@@H](NC(=O)c1cc(S(=O)(=O)F)ccc1Cl)C(C)C	1262797327	JHWLTUMIPMQVEQ-GFCCVEGCSA-N	317.769	2.386	70	20	DEID	
COCCC1(CNC(=O)N2CCC(n3ccnc3)CC2)CC1	161040039	HLLMTFMMXVROSH-UHFFFAOYSA-N	306.410	2.046	70	20	DEID	
CCC[C@H](N)C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1	161083442	JROATYGTICCQBR-ZETCQYMHSA-N	306.250	2.457	70	20	DEID	
COc1ccc(CN2CCC([C@@H](O)C(F)(F)F)CC2)cn1	161201170	OLNMQHWRFSCPEG-CYBMUJFWSA-N	304.312	2.225	70	20	DEID	
CCN(C)Cc1cccc(CNC(=O)[C@@H](O)c2ccccc2)c1	161317527	RRVCQVMBRPOXFP-SFHVURJKSA-N	312.413	2.488	70	20	DEID	
CCc1noc(CC)c1CNC(=O)NCc1ncccc1F	160055122	YDQDMAADYUNXBE-UHFFFAOYSA-N	306.341	2.333	70	20	DEID	
COC(=O)c1ccc(F)c(NC(=O)N2CCC[C@@H]2C[C@@H](C)O)c1	160110387	BVPDUPALLGRFPR-ZYHUDNBSSA-N	324.352	2.380	70	20	DEID	
CC(C)NC(=O)Nc1cccc(C(=O)N[C@H](CCO)C(C)C)c1	160520738	HFTJYSWRLWHXHS-OAHLLOKOSA-N	321.421	2.353	70	20	DEID	
COCCN(CCO)C(=O)CSCc1ccc(Cl)cc1	160616280	DKTPYWAJSCZPQT-UHFFFAOYSA-N	317.838	2.041	70	20	DEID	
CC[C@@H](C(=O)NCc1ccccc1-n1nc(C)cc1C)N(C)C	159414734	AUPFZPCBCFRZHG-INIZCTEOSA-N	314.433	2.446	70	20	DEID	
Cc1c(CNC(=O)N[C@H](C)CCc2ccc(O)cc2)cnn1C	159429899	PNCAZOHHBDNPMP-GFCCVEGCSA-N	316.405	2.255	70	20	DEID	
CCN1CCCN(C(=O)NCCO[C@@H]2CCCC[C@@H]2C)CC1	159642518	AMNTYUVLSNBZDE-JKSUJKDBSA-N	311.470	2.319	70	20	DEID	
CCN(C(=O)NCCc1nnc(-c2ccccc2)o1)C1CC1	159943341	LWUFQSYADSGUEF-UHFFFAOYSA-N	300.362	2.473	70	20	DEID	
CC(C)(N)CNC(=O)/C=C/c1cc(Br)ccc1F	159948642	XSESUKMLWRZMMO-ZZXKWVIFSA-N	315.186	2.455	70	20	DEID	
NC(=O)CC1CCN(Cc2c[nH]nc2-c2ccccc2F)CC1	159777681	DWBIYGJSWRZFOJ-UHFFFAOYSA-N	316.380	2.303	70	20	DEID	
Cn1ncc(C(=O)Nc2cccc(S(=O)(=O)F)c2)c1C1CC1	460095630	SEXJFECYETXPDC-UHFFFAOYSA-N	323.349	2.208	70	20	DEID	
C=COc1ccc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)cc1	1346795329	CURFBMSZPAGYRW-UHFFFAOYSA-N	310.306	2.448	70	20	DEID	
COc1cccc(C(=O)NC[C@H](C)CCO)c1OC(F)F	161018436	BXNUYDKVRZBLEK-SECBINFHSA-N	303.305	2.045	70	20	DEID	
COc1ccc(Cl)c(S(=O)(=O)NC2(C)CCOCC2)c1	161046970	RFSDGYMPUNGYSN-UHFFFAOYSA-N	319.810	2.196	70	20	DEID	
CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)[C@@H]1CSCN1	161056182	DEBNNHRYGNWJAZ-JIMOISOXSA-N	314.838	2.195	70	20	DEID	
CCNCC1CCN(C(=O)/C=C/c2c(C)nn(C)c2Cl)CC1	161120415	ACLBIGTVGCRIIQ-AATRIKPKSA-N	324.856	2.243	70	20	DEID	
Cc1cc(C(=O)N2CCCN(Cc3ccccc3)CC2)ncn1	161349486	IHSLQBKZCCDFBO-UHFFFAOYSA-N	310.401	2.133	70	20	DEID	
CCN1CCc2ccc(NC(=O)[C@H]3CCn4ccnc4C3)cc21	161351726	FWDIOPCORVKBMN-AWEZNQCLSA-N	310.401	2.467	70	20	DEID	
CC1(C)C[C@H](NC(=O)NCCc2ccc3c(c2)OCO3)CCO1	161466531	RIPGUFGGBMXYLI-CYBMUJFWSA-N	320.389	2.215	70	20	DEID	
COc1cccc2c1CC[C@H]2NC(=O)[C@@H](C)NC(=O)C(C)(C)C	160058171	QMKSXHKDWRKIPT-BXUZGUMPSA-N	318.417	2.350	70	20	DEID	
O=C(CSc1nncs1)N[C@H]1CCOC2(CCCC2)C1	160102400	GAPCFLZACUPRKP-JTQLQIEISA-N	313.448	2.238	70	20	DEID	
CCC(=O)N[C@H]1CCCN(C(=O)C[C@@H](C)c2ccncc2)C1	160295055	PFROPPBQKLLLGB-HIFRSBDPSA-N	303.406	2.092	70	20	DEID	
CCN(Cc1ccc2ncccc2c1)[C@H]1CCS(=O)(=O)C1	160554332	GPNVIXRISNLZAU-HNNXBMFYSA-N	304.415	2.244	70	20	DEID	
CC(C)(CC(=O)NCC1CCN(CCO)CC1)c1ccccc1	160615721	MNPGJRUNNBMNRJ-UHFFFAOYSA-N	318.461	2.175	70	20	DEID	
CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2cccc(F)n2)C1	160619150	OTZFZFVKFJMRLR-NWDGAFQWSA-N	307.369	2.444	70	20	DEID	
CCc1nnc(NC(=O)c2ccc(C(=O)NC3CC3)cc2)s1	160746418	ZBHCUXSDGRPJHT-UHFFFAOYSA-N	316.386	2.245	70	20	DEID	
C[C@H]1C[C@@H](NC(=O)Nc2cnn(C)c2)CN1Cc1ccccc1	159881929	MUJMPNLPHSIWPM-DZGCQCFKSA-N	313.405	2.205	70	20	DEID	
C[C@@H]1CN(C(=O)Nc2ccccc2OCCC(N)=O)CC[C@H]1C	159500219	XCOBQEYPCDXIGA-CHWSQXEVSA-N	319.405	2.451	70	20	DEID	
CCOc1ccc(S(=O)(=O)NC[C@@H](C)CO)c2ccccc12	159720695	HAISRIVJBMOGKV-GFCCVEGCSA-N	323.414	2.145	70	20	DEID	
O=C(C[C@H]1CNCCO1)N1CC2(CCCC2)c2ccccc21	159369129	PWDFKECHQCLMNZ-AWEZNQCLSA-N	300.402	2.224	70	20	DEID	
CCc1n[nH]c(=O)c(CNC(=O)N[C@@H]2CCC[C@H]2CC)c1CC	159776667	VODVROWIFWFSIS-IAQYHMDHSA-N	320.437	2.273	70	20	DEID	
Cc1cc(Br)ccc1CNC(=O)N[C@H](C)CCO	159581651	OFDNDAXCUWQFAC-SNVBAGLBSA-N	315.211	2.328	70	20	DEID	
N[C@H]1CCC[C@H](NC(=O)Cc2cccc(Br)c2)C1	160885242	OIWPCEVIQJHKHY-STQMWFEESA-N	311.223	2.378	70	20	DEID	
CN(CC1(O)CCOCC1)C(=O)c1cc(Cl)nc(Cl)c1	161495879	ZBQFUIZZRWVGNO-UHFFFAOYSA-N	319.188	2.002	70	20	DEID	
CO[C@@H](CNC(=O)c1ccc(S(=O)(=O)F)cc1C)C(C)C	1337270878	PHWLJKVWWDGWEY-ZDUSSCGKSA-N	317.382	2.054	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)[C@@H]1SCCc2ccccc21	160234987	OLKIKUHBNQCRCD-XHDPSFHLSA-N	307.415	2.475	70	20	DEID	
NC[C@H]1CCCN1C(=O)CCc1ncc(-c2ccccc2F)o1	160236489	USGNNDBTIICPLH-GFCCVEGCSA-N	317.364	2.363	70	20	DEID	
COC[C@@H](NC(=O)N[C@@H](CCCO)c1ccccc1)C1CC1	160296340	ORXJHKVNHDKOSL-JKSUJKDBSA-N	306.406	2.224	70	20	DEID	
CN(C(=O)CCCNC(=O)C(C)(C)C)c1ccc2c(c1)OCO2	160513268	OAPHNPCKXCOOCH-UHFFFAOYSA-N	320.389	2.321	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)c1ccn(-c2cccc(F)c2)n1	160546996	KQTDEDSIUSWOJN-NSHDSACASA-N	319.336	2.083	70	20	DEID	
CCOC(=O)[C@]1(CCn2cnc(C(C)C)cc2=O)CCCC1=O	160777138	DBZIPRKCYBNJFV-KRWDZBQOSA-N	320.389	2.059	70	20	DEID	
O=C(NCCc1cscn1)N1CCC[C@@H](N2CCCC2)CC1	159508699	LHWOYYHJWLNNAP-OAHLLOKOSA-N	322.478	2.346	70	20	DEID	
NC(=S)c1ccc(C(=O)N[C@H]2CCC[C@@H]3OCC[C@H]23)cc1	159757652	QRSYKXOVWVNJBD-RDBSUJKOSA-N	304.415	2.008	70	20	DEID	
CC(C)(CNC(=O)CS(=O)(=O)C(C)(C)C)c1ccccc1	159950399	HCTZPZVHYTUXFW-UHFFFAOYSA-N	311.447	2.294	70	20	DEID	
CCCNC(=O)CN(CCC)C(=O)c1cnn(CC(C)C)c1C	159566240	ZRNPGUVRODEREJ-UHFFFAOYSA-N	322.453	2.226	70	20	DEID	
O=C(Nc1cc(F)ccc1OC[C@@H]1CCCO1)[C@@H]1CCCNC1	159381215	FNKVBWCCVAMMLX-OCCSQVGLSA-N	322.380	2.322	70	20	DEID	
O=C(Nc1cccc(S(=O)(=O)F)c1)c1ccn(C(F)F)n1	809280870	LZEBCLFZWQVWJK-UHFFFAOYSA-N	319.264	2.189	70	20	DEID	
Cc1ccc(NC(=O)C[C@H](C)CC(=O)O)cc1S(=O)(=O)F	1600445831	POFZGZOCSOWIAQ-QMMMGPOBSA-N	317.338	2.093	70	20	DEID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)Oc1cccc(CN)c1	1579639895	MTHVIUYIUFZDID-UHFFFAOYSA-N	323.345	2.331	70	20	DEID	
COC(=O)N(C)CCCC(=O)OCc1nc(C)sc1C	161225794	OAGCTVDYVCQYRW-UHFFFAOYSA-N	300.380	2.282	70	20	DEID	
N[C@@H]1CCC[C@H](NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)C1	161113073	VHGDUMCEVOTSGE-OLZOCXBDSA-N	302.353	2.216	70	20	DEID	
O=C(NCCCn1cnc2ccccc21)NO[C@H]1CCCCO1	161406427	RHKBRDXDMOYAOM-HNNXBMFYSA-N	318.377	2.184	70	20	DEID	
CCc1nc(CN[C@@H](C)c2cc(OC)c(OC)c(OC)c2)n[nH]1	160313630	CYIMKERSJCELJO-JTQLQIEISA-N	320.393	2.244	70	20	DEID	
CCOCCC1(C(=O)N2CCC(C(=O)OCC)CC2)CCC1	160525983	RKDDOIUWRRHKTG-UHFFFAOYSA-N	311.422	2.385	70	20	DEID	
O=C1CC[C@@H]2CN(C(=O)c3ccc(F)cc3Cl)CC[C@@H]2N1	160560760	AJCDWTMENCBJBT-RNCFNFMXSA-N	310.756	2.220	70	20	DEID	
CCCC(=O)N1CCC[C@H]1C(=O)N(C)c1ccc2c(c1)OCO2	160611432	UGPKUYKQVJGXFE-ZDUSSCGKSA-N	318.373	2.169	70	20	DEID	
CC(=O)N1CC[C@H](NC(=O)c2cccc(OC3CCCC3)c2)C1	159640146	OMILIXICSFXRAN-HNNXBMFYSA-N	316.401	2.359	70	20	DEID	
COC(=O)CCC(=O)O[C@H](c1c(C)nn(C)c1C)C(F)(F)F	159888911	VFUDUXGXLMRNJX-GFCCVEGCSA-N	322.283	2.137	70	20	DEID	
COc1ccccc1-n1cnnc1SCCn1ccnc1	159694324	AWVJUJDQHXACRB-UHFFFAOYSA-N	301.375	2.265	70	20	DEID	
CCN(CCS(C)(=O)=O)C(=O)Nc1ccc(Cl)cc1F	159929886	ITPVRNJGZCRWBV-UHFFFAOYSA-N	322.789	2.378	70	20	DEID	
O=S(=O)(NC[C@H](O)C1CCCCC1)c1cc(F)cc(F)c1	159568842	XADDBCYWXUILFZ-AWEZNQCLSA-N	319.373	2.184	70	20	DEID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)[C@H]1Cc2ccccc2O1	185112516	OGXATEGBKQOPHI-CQSZACIVSA-N	321.329	2.287	70	20	DEID	
CC(=O)NCC1CCN(c2cc(Cl)nc(C3CC3)n2)CC1	217988055	XHNXQJXOQSOYHL-UHFFFAOYSA-N	308.813	2.360	70	20	DEID	
O=C(C[C@@H]1CCCOC1)Nc1ccc(S(=O)(=O)F)cc1	193743055	VHHFASBWOAEDJN-JTQLQIEISA-N	301.339	2.100	70	20	DEID	
C[C@@H](Cc1ccccn1)NC(=O)c1cccc(S(=O)(=O)F)c1	1337490976	LOAJUZUECVRDIA-NSHDSACASA-N	322.361	2.101	70	20	DEID	
CCCCN(CCOC)C(=O)c1cccc(S(=O)(=O)F)c1	1348707846	QVOZKUJKXVNICW-UHFFFAOYSA-N	317.382	2.234	70	20	DEID	
O=C(NCCC1=CCCCC1)c1cc(S(=O)(=O)F)c[nH]1	1346027982	LUHJEXZZZJPATE-UHFFFAOYSA-N	300.355	2.293	70	20	DEID	
Cc1cccc(C)c1CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1351579816	WYTMGQOVUNBBDJ-UHFFFAOYSA-N	324.377	2.262	70	20	DEID	
CCN(c1ccc(C(=O)NCC[C@H](O)COC)cc1)C(C)C	161144642	KDEDLJUCBBSPPN-INIZCTEOSA-N	308.422	2.049	70	20	DEID	
CCC[C@@H]1CN(C(=O)NCc2cccc3c2OCO3)CCO1	160059032	LIDQLSCRVJUCBO-CYBMUJFWSA-N	306.362	2.126	70	20	DEID	
CC(C)Oc1cc(CNC(=O)NC[C@]2(C)CCCO2)ccn1	160061193	DXEWXBKKJOJWPN-INIZCTEOSA-N	307.394	2.237	70	20	DEID	
CCCCn1ncc(NC(=O)N[C@@H]2CCN(C(=O)CC)C2)c1C	160113169	LBACAXDVQUCJRR-CYBMUJFWSA-N	321.425	2.124	70	20	DEID	
CSc1cc(C(=O)N[C@H](C)C(N)=O)c(Cl)cc1Cl	160177594	QXIIUTLYWJXVKL-RXMQYKEDSA-N	307.202	2.319	70	20	DEID	
CCCCn1ncc(NC(=O)N[C@H]2CCCn3ncnc32)c1C	160270754	YNRRTABWWIBFNF-LBPRGKRZSA-N	317.397	2.240	70	20	DEID	
COc1cccc(-c2nc(C(=O)NC3=NCCS3)c(C)[nH]2)c1	160303491	VQLDTEHYRMJZSM-UHFFFAOYSA-N	316.386	2.226	70	20	DEID	
COC(=O)c1csc(NC(=O)N2CCC[C@H]([C@@H](C)O)C2)c1	160321366	MXMYXUKDHXXQCN-ZJUUUORDSA-N	312.391	2.159	70	20	DEID	
Cc1ccccc1OCCCN(C)C(=O)c1cccc(=O)n1C	160566378	PURKUEOXECCRIC-UHFFFAOYSA-N	314.385	2.235	70	20	DEID	
CCOc1ccccc1CNC(=O)c1cccc2[nH]c(=O)oc12	160569048	ZOPOPWNZSVWBGY-UHFFFAOYSA-N	312.325	2.450	70	20	DEID	
O=C(NCc1nccs1)c1ccnc(OCC(F)(F)F)c1	160745078	ZQERKOYZXGFVQK-UHFFFAOYSA-N	317.292	2.409	70	20	DEID	
CN[C@H]1CCN(C(=O)c2cc(NC(=O)C(C)C)ccc2Cl)C1	160810724	HPOBNPJPTHSDER-LBPRGKRZSA-N	323.824	2.368	70	20	DEID	
CCN(CC(C)(C)O)C(=O)NC[C@H]1CCCCN1CC(C)C	160910036	FLXOJWUCNNEJGS-OAHLLOKOSA-N	313.486	2.299	70	20	DEID	
CCCOc1ccc(CNC(=O)N(C)C[C@H]2CCC[C@@H]2O)cn1	160974778	VZWNPLIBMIMKJW-CABCVRRESA-N	321.421	2.173	70	20	DEID	
C[C@H](Oc1ccccc1)C(=O)N1CCC(NCC2CC2)CC1	159867951	AWXPZCJCVMVIMW-AWEZNQCLSA-N	302.418	2.445	70	20	DEID	
CCCCCNC(=O)C(=O)Nc1cnn(-c2ccccc2)c1C	159908858	WEVABBSFDZAULP-UHFFFAOYSA-N	314.389	2.426	70	20	DEID	
COCc1cc(NC[C@@H](O)COCC2CC2)nc(C(C)(C)C)n1	159736570	UJCADHLHAYHWNJ-CQSZACIVSA-N	323.437	2.120	70	20	DEID	
Cc1ccc(C(=O)N(C)CC(C)(C)CN2CCOCC2)s1	159576558	WECGEAWXHKDWPE-UHFFFAOYSA-N	310.463	2.487	70	20	DEID	
CC1(NS(=O)(=O)c2ccc(F)c(Cl)c2)CCOCC1	160998514	NHTIOHPJLFMURU-UHFFFAOYSA-N	307.774	2.327	70	20	DEID	
CCN(CCNC(=O)Nc1cc(C(=O)OC)cs1)C(C)C	161019574	FCKLYWOKSQFHMJ-UHFFFAOYSA-N	313.423	2.387	70	20	DEID	
CC[C@@H](CCO)CNC(=O)Nc1ccc(-c2ncn(C)n2)cc1	161085356	FZDLVZHEHOPPHX-LBPRGKRZSA-N	317.393	2.012	70	20	DEID	
COC(=O)c1cccc(NC(=O)N(C)CC2(O)CCCC2)c1	160014578	SMKKHALKQXUZPW-UHFFFAOYSA-N	306.362	2.242	70	20	DEID	
O=C(NC1(CO)CC1)c1ccc(Sc2ccccn2)cc1	160517420	PSSRFWQFEBEBRI-UHFFFAOYSA-N	300.383	2.488	70	20	DEID	
CC[C@]1(C)C[C@@H]1C(=O)N(C)Cc1nc2ccsc2c(=O)[nH]1	160621098	RLGRLAFUVAYZES-RFAUZJTJSA-N	305.403	2.379	70	20	DEID	
COc1cccc(CN(CC(OC)OC)C[C@@H]2CCCO2)c1	160699463	FJKBHBRBLRAMCN-INIZCTEOSA-N	309.406	2.295	70	20	DEID	
CC(=O)NCCCCCC(=O)N1CCc2c(F)cccc2C1	160891234	ULAZUWHTSKYIET-UHFFFAOYSA-N	306.381	2.407	70	20	DEID	
CCOC(=O)[C@@H](Cc1ccccc1)NCc1cn(C)nc1CC	159546085	HSSSPHLRYXUYHJ-QGZVFWFLSA-N	315.417	2.247	70	20	DEID	
CC(C)CCn1ccc(NC(=O)N2CC[C@@H](N3CC=CC3)C2)n1	159548065	AATJQYKTYIYUBX-OAHLLOKOSA-N	317.437	2.407	70	20	DEID	
CCc1ccc(S(=O)(=O)N(C)c2ncccc2OC)cc1	159570310	OIRVCHGMSVIVJB-UHFFFAOYSA-N	306.387	2.478	70	20	DEID	
CC(=O)N1CC[C@H](NC(=O)[C@@H](C)Sc2ccc(C)cc2)C1	159779374	BSCBBBYTFUICAI-OCCSQVGLSA-N	306.431	2.213	70	20	DEID	
CSC[C@@](C)(O)CNC(=O)COc1cc(C)ccc1Cl	217642539	HXOCUTVAEDMTKL-AWEZNQCLSA-N	317.838	2.257	70	20	DEID	
CC(C)N1C[C@H](NC(=O)NCc2ccc(Cl)cc2)CC1=O	217288038	MWTFPXSGHOWZKQ-CYBMUJFWSA-N	309.797	2.149	70	20	DEID	
Cc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)s1	1120943947	CCRRZQNARZGNCI-UHFFFAOYSA-N	316.379	2.315	70	20	DEID	
CO[C@H](C)CCNC(=O)c1cc(S(=O)(=O)F)ccc1Cl	1337460100	GJRLEDQPGHHKLC-MRVPVSSYSA-N	323.773	2.153	70	20	DEID	
O=C(Cc1ccccc1Br)NC[C@H]1CCCCN1	217268386	VXPHOOKWEXASLK-GFCCVEGCSA-N	311.223	2.250	70	20	DEID	
O=S(=O)(F)c1ccc(N[C@H]2CCCN3CCCC[C@H]23)nc1	1550627345	FDSSMQONDMFKNR-QWHCGFSZSA-N	313.398	2.169	70	20	DEID	
C[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)COC[C@@H]1CCCO1	161219366	JPMQWLYVNXLASL-WFASDCNBSA-N	323.364	2.099	70	20	DEID	
NC(=O)Nc1cccc(C(=O)N[C@@H]2CCOC3(CCCC3)C2)c1	161287572	YDTRRBIGCPUVOQ-CQSZACIVSA-N	317.389	2.399	70	20	DEID	
Cc1ccc(NC(=O)N[C@H]2CCN(c3ncccc3F)C2)cn1	161313963	MUTFTNFXOIBXCI-ZDUSSCGKSA-N	315.352	2.325	70	20	DEID	
CCCN1CCCN(C(=O)c2cc(-c3ccco3)[nH]n2)CC1	160397557	CWUVNEVJGXVATP-UHFFFAOYSA-N	302.378	2.228	70	20	DEID	
CC(C)CNC(=O)N1CCC[C@@H](C(=O)Nc2cccc(F)n2)C1	160789340	NHLCZNHTSOAUGQ-GFCCVEGCSA-N	322.384	2.237	70	20	DEID	
COc1cccc(CCCNC(=O)NCc2cnn(C)c2C)c1	160947206	BBGYKLVZWYPPHL-UHFFFAOYSA-N	316.405	2.169	70	20	DEID	
CCOC(=O)Cc1csc(NC(=O)CO[C@@H](C)CC)n1	159483290	WNZUPMGMODVLSP-VIFPVBQESA-N	300.380	2.002	70	20	DEID	
Cc1ccc([C@H](C)CNS(=O)(=O)c2c(C)nn(C)c2C)cc1	159681990	NOHABDGCKMJALX-GFCCVEGCSA-N	321.446	2.427	70	20	DEID	
COC(=O)CCC(=O)O[C@@H](c1c(C)nn(C)c1C)C(F)(F)F	159888777	VFUDUXGXLMRNJX-LBPRGKRZSA-N	322.283	2.137	70	20	DEID	
CCn1nccc1CNCc1cc(OC)c(OC)cc1OC	159894813	LBZYRFPQHRQPRJ-UHFFFAOYSA-N	305.378	2.219	70	20	DEID	
CCCN(C)C[C@@H]1CCN(c2ccc(S(C)(=O)=O)cc2)C1	159412557	OEPRUDIPNBNHRR-AWEZNQCLSA-N	310.463	2.258	70	20	DEID	
COc1ccc(OC(F)F)c(NC(=O)c2cccc(=O)n2C)c1	159489681	KYUAJAXKAUCILX-UHFFFAOYSA-N	324.283	2.248	70	20	DEID	
CCS(=O)(=O)c1ccc(O)c(NC(=O)c2[nH]c(C)cc2C)c1	159688194	OPVYIHFRIZMULN-UHFFFAOYSA-N	322.386	2.383	70	20	DEID	
CCOc1cc(Cl)ccc1CNC(=O)NCCn1cccn1	159694059	JOCFROIKSGFNKE-UHFFFAOYSA-N	322.796	2.435	70	20	DEID	
CN(Cc1cccc(N(C)C)c1)Cc1cc(=O)n2ccccc2n1	159763100	VVQJRYSWZXBFCN-UHFFFAOYSA-N	322.412	2.393	70	20	DEID	
CCO[C@H]1C[C@@H](N(C)C(=O)c2cnc3c(c2)ncn3C)C1(C)C	159885534	UVIPVVCWJTWECV-KGLIPLIRSA-N	316.405	2.244	70	20	DEID	
COc1cc(CCNC(=O)c2cnc3c(c2)ncn3C)ccc1C	159889440	MIUKEZNNQHHLAK-UHFFFAOYSA-N	324.384	2.258	70	20	DEID	
COc1ccc(N(C)C(=O)c2ccc(C(N)=O)cn2)cc1Cl	159960553	BYMHGSGMXXZGIE-UHFFFAOYSA-N	319.748	2.119	70	20	DEID	
CN(C)c1ccc(C(=O)N[C@H]2CCOC3(CCCC3)C2)cn1	160219113	XLSPGDBUNSWHPY-AWEZNQCLSA-N	303.406	2.369	70	20	DEID	
CC[C@H]1CCCCN1C(=O)C(=O)Nc1cc(C(=O)OC)cs1	160478556	YMMAKPIERPPKHF-NSHDSACASA-N	324.402	2.264	70	20	DEID	
CCOCCC1(C(=O)N2CCC[C@H](C(=O)OCC)C2)CCC1	160603454	IIZDDUFHGPOWEQ-AWEZNQCLSA-N	311.422	2.385	70	20	DEID	
COCCN(CC(C)C)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	160937827	LKANXMPFCUJSBO-ZNMIVQPWSA-N	310.438	2.258	70	20	DEID	
COc1cc(OC)c(CCNC(=O)NC2(C)CCC2)c(OC)c1	160997612	CVFZJSMMJCRRMU-UHFFFAOYSA-N	322.405	2.497	70	20	DEID	
COC[C@@H](O)CCNC(=O)c1ccc(SC(F)(F)F)cc1	161079574	QIICGRYUZFTPER-JTQLQIEISA-N	323.336	2.426	70	20	DEID	
COCCn1nc(C)c(NC(=O)Nc2ccc(C)nc2)c1C	161311196	CVCZGCQIIAEPCK-UHFFFAOYSA-N	303.366	2.494	70	20	DEID	
CN(CCN(C)c1ccccc1)C(=O)[C@@H]1CCn2ccnc2C1	161491853	MHFSRJXZXGRZIW-OAHLLOKOSA-N	312.417	2.040	70	20	DEID	
C=CCCSCCNC(=O)c1cccc(S(=O)(=O)F)c1	1340630719	SUGAMVSARIRODP-UHFFFAOYSA-N	317.407	2.384	70	20	DEID	
Cc1csc(NC(=O)c2ccc(S(=O)(=O)F)cc2)n1	864239729	IURZEXWKSVKYDN-UHFFFAOYSA-N	300.336	2.362	70	20	DEID	
CSCCCNC(=O)CCc1ccc(S(=O)(=O)F)cc1	1338568618	DDYKWEVOVMCYMR-UHFFFAOYSA-N	319.423	2.147	70	20	DEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC2(CCCCC2)C1	1351946205	KNSCIMWIOCVNGU-UHFFFAOYSA-N	300.355	2.079	70	20	DEID	
Cc1cc(S(=O)(=O)NC2(C)CCOCC2)cc(C)c1F	161048081	SWQJEMSTLKAAOU-UHFFFAOYSA-N	301.383	2.290	70	20	DEID	
CCNCC1CCN(C(=O)[C@H](C(C)C)N2CCCCC2)CC1	161088088	CZEIFJQYFIXDSQ-KRWDZBQOSA-N	309.498	2.345	70	20	DEID	
CCn1c(SCc2ccnn2C)nnc1-c1ccncc1	161176504	FMFYALUUKBCXMV-UHFFFAOYSA-N	300.391	2.386	70	20	DEID	
COc1ccc(NC(=O)CCC2CCN(C(C)=O)CC2)cc1N	161294454	NYLXMJCVTCYGLN-UHFFFAOYSA-N	319.405	2.255	70	20	DEID	
O=C(CC1(O)CCCC1)Nc1nc(-c2ccccc2F)n[nH]1	161333612	PJMOKBXKJRUDIC-UHFFFAOYSA-N	304.325	2.245	70	20	DEID	
COC[C@H](O)CCNC(=O)c1ccc(Oc2ccccc2)nc1	161457580	YRXWIYFCMVVVMS-CQSZACIVSA-N	316.357	2.001	70	20	DEID	
CC(C)OCCC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C	161478797	RHZYNPHPHSIZKT-CYBMUJFWSA-N	314.426	2.269	70	20	DEID	
CC(C)C[C@H](C)NC(=O)Nc1ccc(N2CCOCC2)nc1	160069610	ANEOPPFEWOWAGR-ZDUSSCGKSA-N	306.410	2.474	70	20	DEID	
CC(C)(CO)CNC[C@H](O)COc1ccc(Cl)cc1Cl	160167419	HEDFSKOVNWJASB-NSHDSACASA-N	322.232	2.341	70	20	DEID	
CCCCN(CCO)C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1	160374658	ZTCIMQIUCRYCDK-MRXNPFEDSA-N	322.405	2.481	70	20	DEID	
Cc1c(C(=O)N[C@H](CCO)C(C)C)cnn1-c1ccc(F)cc1	160689696	FXWKIAXSHJQTLH-MRXNPFEDSA-N	319.380	2.457	70	20	DEID	
COc1cc(CN(C)CCCS(=O)(=O)C(C)C)ccc1O	160726632	KKLNXBZITWNDTK-UHFFFAOYSA-N	315.435	2.046	70	20	DEID	
CCOC(=O)CN(C)[C@H](C)C(=O)N[C@@H](C)c1ccc(CC)cc1	159486184	NXSRRKXNGPDNAE-UONOGXRCSA-N	320.433	2.310	70	20	DEID	
CCNC(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1C	159773959	IZFQVWBAEKGQLZ-UHFFFAOYSA-N	313.423	2.213	70	20	DEID	
COC(=O)[C@@H](NC[C@H]1CCCN1C(=O)OC(C)(C)C)C(C)C	218059591	CWYUIDSPNDMURG-OLZOCXBDSA-N	314.426	2.173	70	20	DEID	
c1ccc(Cn2nnnc2CN2C[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2)cc1	216978638	VGRLLHXTXQDAHP-QAETUUGQSA-N	309.417	2.199	70	20	DEID	
O=C(Nc1ccnn1CC1CC1)c1ccc(S(=O)(=O)F)cc1	864242568	KJYZTXQVGPSDSR-UHFFFAOYSA-N	323.349	2.204	70	20	DEID	
COC(C)(C)CC(=O)Nc1ccc(F)c(CS(=O)(=O)F)c1	876318604	GZQDZVGDLRDTFZ-UHFFFAOYSA-N	321.345	2.379	70	20	DEID	
CC(C)CC[C@H](N)C(=O)Nc1ccc(S(=O)(=O)F)cc1	1575560714	LVWWJAOBUQNNDU-LBPRGKRZSA-N	302.371	2.047	70	20	DEID	
CC(C)(C)S(=O)(=O)CC(=O)Nc1ccc(-c2cnco2)cc1	161080036	MZMWQCIVSUZLPX-UHFFFAOYSA-N	322.386	2.493	70	20	DEID	
N[C@@H]1CCC[C@@H](NC(=O)c2ccn(-c3ccc(F)cc3)n2)C1	161080858	LGMSLMDCAGHBEC-CHWSQXEVSA-N	302.353	2.011	70	20	DEID	
CNC(=O)c1cccc(NCc2cc(C(=O)OC)c(C)o2)c1	161243734	MZDKFRNNYQDMPS-UHFFFAOYSA-N	302.330	2.346	70	20	DEID	
C[C@@H](SCCN1CCOCC1)c1cn(-c2ccccc2)nn1	160071197	XYRUOYCQQQUZGT-CQSZACIVSA-N	318.446	2.394	70	20	DEID	
C[C@@H](O)C[C@@H]1CCCN1C(=O)Nc1ccc(-n2cccn2)nc1	160145969	QMUXUIMTYCEXDE-OCCSQVGLSA-N	315.377	2.035	70	20	DEID	
CC[C@](C)(O)CNS(=O)(=O)/C=C/c1ccccc1Cl	160312001	DZCQDNZXSPICMX-XEHSLEBBSA-N	303.811	2.391	70	20	DEID	
CCCC(=O)N1CCCC[C@@H]1C(=O)N(C)Cc1cccn1C	160384159	HKVFXMDOZIDWFW-OAHLLOKOSA-N	305.422	2.165	70	20	DEID	
CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)N[C@H](C)CCO	160399875	HUPHYJAIELEOAB-SUNKGSAMSA-N	314.813	2.486	70	20	DEID	
Cc1cccc2ncnc(N3CCC[C@@H]3CN3CCOCC3)c12	160403596	PDDQDGXOBOWPMX-OAHLLOKOSA-N	312.417	2.239	70	20	DEID	
CCNC(=O)CNC(=O)Nc1ccc(COC2CCCC2)cc1	160576375	ZAAVXJPJTVOHMX-UHFFFAOYSA-N	319.405	2.403	70	20	DEID	
CCOc1ccccc1CCNC(=O)N(C)C[C@H]1CCC[C@H]1O	160624769	QLPSBMIEPDBYJL-HZPDHXFCSA-N	320.433	2.430	70	20	DEID	
CCN1CCCC[C@H]1CNC(=O)NCc1ccc(O)c(F)c1	159624638	OBUNSZPJRURRMP-ZDUSSCGKSA-N	309.385	2.205	70	20	DEID	
CCCNC(=O)CNC(=O)c1cncc(-c2cccc(C)c2)c1	159541613	RWHFDMYFHCNRII-UHFFFAOYSA-N	311.385	2.313	70	20	DEID	
O=C(N[C@@H]1CCC[C@H]2OCC[C@H]12)c1cc2ccccc2c(=O)[nH]1	159755469	DWRDKRRDONABRH-IIAWOOMASA-N	312.369	2.216	70	20	DEID	
CO[C@@H](CC(C)C)C(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	857672896	LLNRWCWXUAPPHX-NSHDSACASA-N	321.345	2.484	70	20	DEID	
CCCC1(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCC1	1120944649	TXQICBXSGKUVMS-UHFFFAOYSA-N	302.371	2.373	70	20	DEID	
COC[C@@H](O)CCNC(=O)CCCc1nc2ccccc2s1	161027874	NNXQUTHWBFXTAY-LBPRGKRZSA-N	322.430	2.133	70	20	DEID	
COC[C@H](O)CCNC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1	161033181	AGUJOFVMIPEGME-UKRRQHHQSA-N	323.433	2.265	70	20	DEID	
CCC(=O)N1CCCN(C(=O)Cc2ccc(CC)cc2)CC1	161253664	RNHHSTVYQHEQPY-UHFFFAOYSA-N	302.418	2.262	70	20	DEID	
CCCN1CCC(NC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC1	161267521	VPEHMYCAJHJOSI-OAGGEKHMSA-N	321.465	2.118	70	20	DEID	
Cc1nn(C)c(C)c1OCC(=O)N(CC(F)(F)F)C1CCC1	161274923	RVFNVLVUPFDOEU-UHFFFAOYSA-N	319.327	2.359	70	20	DEID	
COCCCC(=O)N1CCCC[C@@H]1CNC(=O)OC(C)(C)C	161405207	KCEBEUMHADJCLQ-CYBMUJFWSA-N	314.426	2.319	70	20	DEID	
CC(C)(CNC(=O)C(=O)Nc1ccc(F)nc1)c1cccs1	160012172	GARVMJSFLWTPGH-UHFFFAOYSA-N	321.377	2.315	70	20	DEID	
CCN1CCCC[C@@H]1CNC(=O)NCC1(CCOC)CCC1	160100285	QPPATQSYBPFDFF-OAHLLOKOSA-N	311.470	2.367	70	20	DEID	
Cc1nn(C)c(C)c1[C@@H](OC(=O)c1cnccn1)C(F)(F)F	160231797	LWJXRAMCRKJDII-LLVKDONJSA-N	314.267	2.287	70	20	DEID	
CC[C@@](C)(O)CNS(=O)(=O)c1ccc(-c2coc(C)n2)cc1	160291624	NOTNZQJQPFXVRB-OAHLLOKOSA-N	324.402	2.089	70	20	DEID	
COC[C@@H](NC(=O)N[C@H](CCCO)c1ccccc1)C1CC1	160296628	ORXJHKVNHDKOSL-HZPDHXFCSA-N	306.406	2.224	70	20	DEID	
CN(C)[C@@H](CNC(=O)N1CCC[C@](C)(O)C1)C1CCCCC1	160299429	UOCHOZCHTBVEJV-RDJZCZTQSA-N	311.470	2.053	70	20	DEID	
CC[C@H](CC(=O)N(C)C[C@@H](C)C(=O)NC)c1ccc(OC)cc1	160419810	DETWGFRTNXGYAC-ZIAGYGMSSA-N	320.433	2.419	70	20	DEID	
O=S(=O)(CCCF)N1CC[C@H](Oc2ccccc2Cl)C1	160601386	PEYUTRJKGACRFS-NSHDSACASA-N	321.801	2.483	70	20	DEID	
COc1cccc(N2CCN(Cc3ccc(CO)o3)CC2)c1	160689591	JJUIGGATPCWCLF-UHFFFAOYSA-N	302.374	2.103	70	20	DEID	
Cc1cc(C(=O)NC2CCN([C@@H]3CCCC[C@H]3O)CC2)oc1C	160746061	XZOKPMKXZZOUDX-HZPDHXFCSA-N	320.433	2.394	70	20	DEID	
CC[C@H]1CCN(C(=O)Cc2cccc(S(=O)(=O)CC)c2)C1	160954306	GHGDAQISTOURIB-ZDUSSCGKSA-N	309.431	2.281	70	20	DEID	
CCOc1cccc(CNC(=O)NCc2cnn(C)c2C)c1	159850202	DIAKZXSVUIZDEK-UHFFFAOYSA-N	302.378	2.127	70	20	DEID	
Cc1ccc(C(=O)CCN2CCC[C@H]2C(=O)NC2CC2)cc1	159663407	PFFZRHDZGJLBJU-INIZCTEOSA-N	300.402	2.311	70	20	DEID	
Cc1nccc(NC(=O)NC[C@H](O)COCC(C)C)c1Cl	159898224	UDDZJJZQKPRRNK-NSHDSACASA-N	315.801	2.198	70	20	DEID	
COc1cc(C(=O)NCC2(N)CCCCC2)cc(OC)c1OC	159504047	VZFOZNJHRSSSRD-UHFFFAOYSA-N	322.405	2.104	70	20	DEID	
CC(=O)C[C@H](C)NC(=O)C1(c2cccc(F)c2)CCOCC1	159966701	AUJCOMWLXFPJMM-LBPRGKRZSA-N	307.365	2.358	70	20	DEID	
CC(C)c1ccc(S(=O)(=O)N2CCc3ncncc3C2)cc1	218073279	AXGROQSOHRVXAT-UHFFFAOYSA-N	317.414	2.347	70	20	DEID	
O=C(NC(CF)CF)c1cc(S(=O)(=O)F)ccc1Cl	1349709027	WRKYRYSKZPJNBZ-UHFFFAOYSA-N	315.700	2.036	70	20	DEID	
COC[C@H](O)CCNC(=O)[C@@H](C)Oc1cc(C(C)C)ccc1C	161090519	NTIOMVMROSYSPZ-GDBMZVCRSA-N	323.433	2.399	70	20	DEID	
O=C(NCCC(=O)N(C[C@H]1CCOC1)C1CC1)C1CCCCC1	161119831	HTQBAZLZAQHVPX-CQSZACIVSA-N	322.449	2.101	70	20	DEID	
COC(=O)c1ccc(NC(=O)N2CCC[C@](C)(O)C2)cc1C	161264153	SKRJBELDZRSFQD-INIZCTEOSA-N	306.362	2.160	70	20	DEID	
COCCCNC(=O)C1CCN(C(=O)[C@H]2CCC[C@@H](C)C2)CC1	161366377	WBXVRPRMETUGKM-ZBFHGGJFSA-N	324.465	2.204	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)c1[nH]c(C)c(C(C)=O)c1CC	160378239	IVSMAIZIYPQFBQ-SECBINFHSA-N	308.378	2.160	70	20	DEID	
CCc1nc(CN[C@H](C)c2cc(OC)c(OC)cc2F)n[nH]1	160433409	RAIHXHGRKFXXQN-SECBINFHSA-N	308.357	2.374	70	20	DEID	
COC(=O)c1csc(NC(=O)NCCc2nccs2)c1	160823852	MNHJUBJPVASRIF-UHFFFAOYSA-N	311.388	2.355	70	20	DEID	
Cc1ccc(C)c(-n2ncc(C(=O)N[C@@H](C)c3nc[nH]n3)c2C)c1	159835375	JPOCUCSASPLMBF-LBPRGKRZSA-N	324.388	2.407	70	20	DEID	
CCc1ccc([C@H](C)CC(=O)N[C@@H]2CCN(C(C)=O)C2)cc1	159551774	UIZRBTMIASGJIJ-CXAGYDPISA-N	302.418	2.480	70	20	DEID	
CNC(=O)COc1cccc(CC(=O)NC2CCCCCC2)c1	159554849	XDRQCSPTZALOEX-UHFFFAOYSA-N	318.417	2.193	70	20	DEID	
C[C@@H]1CCN(C)c2ccccc2N1C(=O)C[C@H]1COC(=O)C1	159370717	JQYDQXYOPVVFNF-CHWSQXEVSA-N	302.374	2.201	70	20	DEID	
CCCCOCCNC(=O)Nc1ccc(C(C)(C)C(N)=O)cc1	159994938	RAMNQKVZYGNAHR-UHFFFAOYSA-N	321.421	2.388	70	20	DEID	
C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC(C)(C)C1	1527978016	XPQHAKXIUIHIIR-VIFPVBQESA-N	302.371	2.181	70	20	DEID	
O=C([C@@H]1CCCO1)N1CCOc2ccc(Br)cc21	217269331	AIARZZLRALGHRJ-LBPRGKRZSA-N	312.163	2.354	70	20	DEID	
COC[C@H](O)CCNC(=O)c1sc2ccc(OC)cc2c1C	161064265	XIKZRYJSUKLJLO-LLVKDONJSA-N	323.414	2.346	70	20	DEID	
Cc1noc([C@@H]2COCCN2CCc2cccc(F)c2F)n1	161078357	ZVNNUTQRMPMLQJ-ZDUSSCGKSA-N	309.316	2.272	70	20	DEID	
CCC(CC)(CN)C(=O)Nc1ccc(OCC(=O)OC)cc1C	161188989	AGBLYDSWKQSNMS-UHFFFAOYSA-N	322.405	2.250	70	20	DEID	
COC[C@@H](O)CCNC(=O)c1ccc(Oc2ccccc2)o1	161251096	IILAZAHXOLISJY-LBPRGKRZSA-N	305.330	2.199	70	20	DEID	
CCC[C@H]1CN(C(=O)NCc2cccc3c2OCO3)CCO1	160059171	LIDQLSCRVJUCBO-ZDUSSCGKSA-N	306.362	2.126	70	20	DEID	
CN(CC1CCOCC1)C(=O)N[C@@H]1[C@H]2Cc3ccccc3[C@@H]21	160072255	SRVSOXUSXIARAK-YESZJQIVSA-N	300.402	2.393	70	20	DEID	
COc1cccc2c1CC[C@@H]2NC(=O)CCn1ccccc1=O	160180267	VIHMWNFLWHHDRQ-HNNXBMFYSA-N	312.369	2.051	70	20	DEID	
CN(C)C(=O)[C@@H]1CSCN1C(=O)c1ccc(F)c(Cl)c1	160200194	DNQDKHSGZZOWBZ-NSHDSACASA-N	316.785	2.082	70	20	DEID	
Cc1nn(C)c(C)c1[C@H](OC(=O)[C@H]1CCOC1)C(F)(F)F	160210206	MZTKJUYKWXTPAD-ONGXEEELSA-N	306.284	2.220	70	20	DEID	
CCN(CCS(C)(=O)=O)C(=O)Nc1cc(Cl)ccc1F	160259362	XHIYTWNNPZANAC-UHFFFAOYSA-N	322.789	2.378	70	20	DEID	
CC[C@@H](COC)NS(=O)(=O)Cc1cccc2cccnc12	160304563	CTQBWYWFAWIMMD-AWEZNQCLSA-N	308.403	2.079	70	20	DEID	
C[C@H](C[C@H](O)c1ccco1)NC(=O)N[C@@H]1CCO[C@H](C2CC2)C1	160481869	BLCKDEGJIJUFEO-UYHMYPTGSA-N	322.405	2.348	70	20	DEID	
O=C(c1ncn(-c2ccccc2)n1)N1CCOC2(CCCC2)C1	160482781	FVTWKXQWPXJZKK-UHFFFAOYSA-N	312.373	2.053	70	20	DEID	
Cc1cccc(C(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)n1	160787348	CXNYEBRCLPYPEH-UHFFFAOYSA-N	322.361	2.326	70	20	DEID	
CNC[C@@H](C)C(=O)Nc1ccc(OCC2CCOCC2)cc1	159415098	ATQHDRSRIAVRGP-CYBMUJFWSA-N	306.406	2.286	70	20	DEID	
CCc1cnc(CCNC(=O)N(C)CC2CCOCC2)s1	159557180	XXXIOUKLJGVYCQ-UHFFFAOYSA-N	311.451	2.316	70	20	DEID	
CCc1ccc([C@H](CO)NC(=O)N[C@@H](C)C2CCOCC2)cc1	159961358	SPIGLTJJIIRSHK-GUYCJALGSA-N	320.433	2.397	70	20	DEID	
O=C(CCC1CCOCC1)Nc1ccc(S(=O)(=O)F)cc1	123074699	RSVBLVFIYRIADS-UHFFFAOYSA-N	315.366	2.490	70	20	DEID	
O=C(NCC1CCC(F)(F)CC1)c1cc(S(=O)(=O)F)c[nH]1	1517954182	BOALTUGRZSUFAD-UHFFFAOYSA-N	324.324	2.228	70	20	DEID	
COCCC1(CNC(=O)N2CCC(CCN(C)C)CC2)CC1	161004901	UBEWVYYXSPYANC-UHFFFAOYSA-N	311.470	2.176	70	20	DEID	
CC[C@@H](C(=O)N(CC)CC(=O)Nc1c(C)cccc1C)N(C)C	161101677	IUWAHVIQXMJSLR-HNNXBMFYSA-N	319.449	2.431	70	20	DEID	
CCOC(=O)C1(C(=O)Nc2nnc(C(F)F)s2)CCC1	161163731	DXIHAVQOEFDJAK-UHFFFAOYSA-N	305.306	2.148	70	20	DEID	
CCN1CCCC[C@@H]1CNC1CCN(CC(F)(F)F)CC1	161167546	PFSSOZZRCJFKSG-CQSZACIVSA-N	307.404	2.477	70	20	DEID	
C[C@H](C(=O)NC1CCCCC1)N1CCN(c2ccncc2)CC1	161333578	GUKAYHVTBNENLX-OAHLLOKOSA-N	316.449	2.041	70	20	DEID	
CC(C)(C)OC(=O)N1CC[C@]2(CCN(c3ncccn3)C2)C1	160018228	QHDWXVIEWRNGNI-INIZCTEOSA-N	304.394	2.314	70	20	DEID	
CC(C)C(=O)NCCN(C)C(=O)Nc1ccc2[nH]ccc2c1	160171034	GIKWNNCBRDEKBK-UHFFFAOYSA-N	302.378	2.404	70	20	DEID	
CC(=O)Nc1ccc(Cl)c(C(=O)N2CC[C@@H](CN(C)C)C2)c1	160368800	QEZXXZITTYDSLS-LBPRGKRZSA-N	323.824	2.322	70	20	DEID	
CC(C)(C)c1ccc([C@@H](O)CNC(=O)C[C@@H]2COC(=O)C2)cc1	160475074	SRBAVOVMSPXBDK-WFASDCNBSA-N	319.401	2.087	70	20	DEID	
CC(C)CCn1cc(C(=O)NC[C@H]2CCCN2CC(C)C)nn1	160579637	FLMIPWFWWLDOFE-OAHLLOKOSA-N	321.469	2.174	70	20	DEID	
COc1cc(C(=O)N[C@@H](CCO)C(C)C)ccc1OC(F)F	160687942	MPGLPAJVUIPDOT-NSHDSACASA-N	317.332	2.433	70	20	DEID	
Cc1ccccc1C(=O)NC1CCN([C@@H]2CCCC[C@@H]2O)CC1	160691743	HDNZEOJQIJEPJB-MSOLQXFVSA-N	316.445	2.493	70	20	DEID	
CC(C)N1CC[C@H](ONC(=O)C(C)(C)c2ccccc2)C1=O	160808398	JYLLTWXOWXQUCE-AWEZNQCLSA-N	304.390	2.021	70	20	DEID	
Cc1cccc(OC[C@H](C)NC(=O)N2CCC[C@](C)(O)C2)c1	160833684	UVQFXISKTULDKH-YOEHRIQHSA-N	306.406	2.319	70	20	DEID	
COC(=O)Cn1cc(CCSc2ccc3c(c2)CCC3)nn1	159407127	BIZISAINMFMPJC-UHFFFAOYSA-N	317.414	2.275	70	20	DEID	
Cc1onc(-c2ccncc2)c1C(=O)NCCC(=O)OC(C)C	159510501	CDOHOSHNVIHNBQ-UHFFFAOYSA-N	317.345	2.117	70	20	DEID	
CCc1ccc(/C=C/C(=O)N2CSC[C@H]2C(=O)N(C)CC)o1	159924731	MDPSUUSNIDJGPW-VFNNOXKTSA-N	322.430	2.235	70	20	DEID	
C[C@H]1CSc2ccccc2N(C(=O)[C@@H](C)S(C)(=O)=O)C1	159533289	JAAQAPGGBRMQTL-GHMZBOCLSA-N	313.444	2.195	70	20	DEID	
COc1ccc(CNC(=O)[C@@H]2CCC(=O)C[C@H]2C)c(OC)c1	159776100	KRDCRCHMSPVMOW-IAQYHMDHSA-N	305.374	2.325	70	20	DEID	
CC(=O)c1ccc(NC(=O)N[C@@H]2CC(=O)N(C(C)C)C2)cc1	217288258	BPHIUJXATCQVGZ-CQSZACIVSA-N	303.362	2.020	70	20	DEID	
CCOCCCCNS(=O)(=O)Cc1c(F)cccc1F	160896367	FRUUQJWAFNBWNU-UHFFFAOYSA-N	307.362	2.201	70	20	DEID	
C[C@H]1CCC[C@@H](C)N(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1337519789	JDLAKBIMHXPIIA-VHSXEESVSA-N	302.371	2.324	70	20	DEID	
CCC(CC)(CN)C(=O)N1CCCN(c2ccccc2)CC1	161273840	SHFWWFWDRLQVJJ-UHFFFAOYSA-N	303.450	2.490	70	20	DEID	
COc1cccc(CNC(=O)N2CCO[C@H](C)[C@@H]2C)c1OC	161350682	FHZSEQWSZZPDER-NWDGAFQWSA-N	308.378	2.023	70	20	DEID	
C[C@@H](NC(=O)Nc1ccc(-c2ncn(C)n2)cc1)[C@H]1CCOC1	160638754	NFEUCVVBXYLSKU-YPMHNXCESA-N	315.377	2.029	70	20	DEID	
CC(C)Oc1cncc(C(=O)Nc2nnc(C(F)(F)F)[nH]2)c1	160803946	DUCKJMWGWFJZCN-UHFFFAOYSA-N	315.255	2.258	70	20	DEID	
CCc1cc(NC(=O)CCc2nc([C@H](C)OC)no2)nc(C)n1	160849753	MPZIHAHCFUAXFF-VIFPVBQESA-N	319.365	2.009	70	20	DEID	
CCCn1c(CNC[C@@H](O)C(F)(F)F)nc2ccccc21	218208604	ZHRPKPJPQFEAQN-GFCCVEGCSA-N	301.312	2.459	70	20	DEID	
CCOC(=O)c1cc(CC)sc1NC(=O)c1ccn(C)n1	218005117	ABZTXQRWGVDCEY-UHFFFAOYSA-N	307.375	2.473	70	20	DEID	
Cc1ccc(C(=O)C(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1	460087944	BRBJPIAZLOCAQR-UHFFFAOYSA-N	321.329	2.475	70	20	DEID	
CSSCCNC(=O)c1ccc(S(=O)(=O)F)cc1	890454749	SBAKVRQQKPJDFK-UHFFFAOYSA-N	309.409	2.086	70	20	DEID	
CNC(=O)Cn1ccc2ccc(NC(=O)NC3CC=CC3)cc21	161371056	VOZNZDJVWDIWKM-UHFFFAOYSA-N	312.373	2.227	70	20	DEID	
O=C(N[C@H]1CCN(c2ccccn2)C1)c1ccc(Cl)nc1	161441329	ADLJCKMBHRWOES-LBPRGKRZSA-N	302.765	2.139	70	20	DEID	
Cc1cccc(C(=O)Nc2ccc(S(C)(=O)=O)nc2)c1F	161458819	PTIUMGXLDBEXTH-UHFFFAOYSA-N	308.334	2.185	70	20	DEID	
Cc1ccccc1CNC(=O)CCCNC(=O)c1cccnc1	160043059	INMOPVVZEIEKGO-UHFFFAOYSA-N	311.385	2.216	70	20	DEID	
CCCN(CCO)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1	160214346	UZCZFCUOGVYKCR-WBVHZDCISA-N	319.449	2.063	70	20	DEID	
CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(C)ccc1S(N)(=O)=O	160258441	DVCDROKUTGDENK-JSGCOSHPSA-N	324.446	2.341	70	20	DEID	
CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)NC1CC=CC1	160355517	YCFLIRFEIJTNMC-CYBMUJFWSA-N	322.430	2.257	70	20	DEID	
Cc1c(CNC(=O)N[C@H]2CCc3cc(F)ccc32)cnn1C	160534223	FZOVSTNMJMHUOD-HNNXBMFYSA-N	302.353	2.354	70	20	DEID	
Cc1cccc(Cl)c1NC(=O)Nc1ccn(CCC(N)=O)n1	160744090	PFGNYNUTQFAICU-UHFFFAOYSA-N	321.768	2.364	70	20	DEID	
CNC(=O)CCCN(C)C(=O)Nc1ccc(OC(C)C)cc1	160904812	KEXKJBOIJCAJJW-UHFFFAOYSA-N	307.394	2.464	70	20	DEID	
CN(Cc1cccn1C)C(=O)[C@H]1CCCN1C(=O)CC(C)(C)C	160991040	WCPURLARXGOYBC-OAHLLOKOSA-N	319.449	2.411	70	20	DEID	
Cc1noc(C)c1C[C@@H](C)NS(=O)(=O)c1cccc(F)c1	159861934	ZISFFQBTYXHNNI-SECBINFHSA-N	312.366	2.340	70	20	DEID	
CSc1nc(C)c(CCC(=O)NCC2(C3CC3)CC2)c(=O)[nH]1	159663978	GRZAWHCXOVONMH-UHFFFAOYSA-N	321.446	2.039	70	20	DEID	
NC(=O)CC1CCN(Cc2ncccc2C(F)(F)F)CC1	159731118	FPOGLNRXUZBIHQ-UHFFFAOYSA-N	301.312	2.188	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)c1ccccc1-c1nnc(C)o1	159559852	KBJCHRNPCBMBLS-SNVBAGLBSA-N	317.345	2.117	70	20	DEID	
CCN(CCS(C)(=O)=O)C(=O)Nc1ccccc1Cl	159751437	HQENRHHGENXKQP-UHFFFAOYSA-N	304.799	2.238	70	20	DEID	
COC(=O)CCCc1csc(NC(=O)[C@H]2CCSC2)n1	160036939	POWCOQJAROCKFH-VIFPVBQESA-N	314.432	2.330	70	20	DEID	
COc1ccc(CCNC(=O)N2CCCC[C@@H]2CCO)cc1	217518338	YSVSRTMWFXVSLD-OAHLLOKOSA-N	306.406	2.184	70	20	DEID	
Cc1ncsc1C(=O)Nc1cccc(S(=O)(=O)F)c1	460095015	QYTDOYGYPJOXEU-UHFFFAOYSA-N	300.336	2.362	70	20	DEID	
O=[N+]([O-])c1ccc(N2CCC[C@@H](F)C2)c(CS(=O)(=O)F)c1	882311454	NSHPVRJZEBESJM-SNVBAGLBSA-N	320.317	2.332	70	20	DEID	
O=[N+]([O-])c1ccc(N2CC[C@H](CF)C2)c(CS(=O)(=O)F)c1	882838587	OTXJMUDDGYAGCS-SECBINFHSA-N	320.317	2.190	70	20	DEID	
O=C(N[C@H]1CC12CCCCC2)c1cc(S(=O)(=O)F)c[nH]1	1262732751	SYCAKHGEOFKNHB-NSHDSACASA-N	300.355	2.126	70	20	DEID	
CC(C)CC[C@@H](N)C(=O)Nc1ccc(S(=O)(=O)F)cc1	1575560713	LVWWJAOBUQNNDU-GFCCVEGCSA-N	302.371	2.047	70	20	DEID	
O=C1[C@H](N2CC[C@]3(CCOC3)C2)CCCN1c1ccccc1F	161025449	LXLBMIDWRWWZSV-AEFFLSMTSA-N	318.392	2.434	70	20	DEID	
CN(C)S(=O)(=O)c1ccc(OCCSCCCF)cc1	161168721	QNTNEJOSRPFUDI-UHFFFAOYSA-N	321.439	2.409	70	20	DEID	
COc1ccc(CCNC2CCC(NC(C)=O)CC2)cc1OC	161226303	OUALKCSHHNQRCC-UHFFFAOYSA-N	320.433	2.283	70	20	DEID	
CN1CC[C@@H]2[C@H](CCCN2C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)C1	160343561	UZZAVZYRBQXDEN-VQHPVUNQSA-N	321.465	2.070	70	20	DEID	
CCCOc1c(Cl)cc(C(=O)NC[C@@H](C)CO)cc1OC	160410234	PKGKXRQJJNSBTM-SNVBAGLBSA-N	315.797	2.496	70	20	DEID	
CN(CCCc1ccccc1)C(=O)CS(=O)(=O)C(C)(C)C	160516553	OQPFLFAJMYBPPN-UHFFFAOYSA-N	311.447	2.291	70	20	DEID	
N[C@@H]1CCC[C@H](NC(=O)c2cnc(-c3ccccn3)s2)C1	160763743	WSCLWIAYFSAXGA-MNOVXSKESA-N	302.403	2.205	70	20	DEID	
CCC(=O)N(C)c1ccccc1C(=O)N1C[C@@H]2CCC[C@H](C1)N2	159403531	VSAVIDQMYJANIY-OKILXGFUSA-N	315.417	2.026	70	20	DEID	
Cc1ccc(C(=O)CCN2CCS(=O)(=O)[C@@H](C)[C@@H]2C)cc1	159755255	HJPUGVQGDFJCMW-KBPBESRZSA-N	309.431	2.075	70	20	DEID	
COC1([C@@H](C)NC(=O)c2ccc(S(=O)(=O)F)cc2)CCC1	864244028	JBAOMBIDQBRAAH-SNVBAGLBSA-N	315.366	2.032	70	20	DEID	
C[C@H](NC(=O)CN1CCC(C)(O)CC1)c1ccccc1Cl	161203311	ITKMXUATAQWLEZ-LBPRGKRZSA-N	310.825	2.364	70	20	DEID	
CCCCn1ncc(NC(=O)NCCOC[C@H]2CCCO2)c1C	160084463	NMDKBACAVKXING-CQSZACIVSA-N	324.425	2.309	70	20	DEID	
CC(=O)c1cccc(NC(=O)[C@H]2C(=O)N(CC(C)C)N=C2C)c1	160161724	MVKWBXSCWASVJR-HNNXBMFYSA-N	315.373	2.318	70	20	DEID	
O=C(Nc1ccc(O[C@H]2CCOC2)cc1)N1CCSCC1	160281164	NJAXDDIDKTUBMS-AWEZNQCLSA-N	308.403	2.435	70	20	DEID	
COc1cc(/C=C/C(=O)N(C)[C@H](C)CO)ccc1OC(C)C	160484114	AYCVKZUZEVQZQW-BUUCAEBMSA-N	307.390	2.335	70	20	DEID	
C[C@H](CO)N(C)C(=O)CCc1ccccc1OC(F)(F)F	160500286	HUJQHNYSOBQTHZ-SNVBAGLBSA-N	305.296	2.357	70	20	DEID	
CC[C@H](NC(=O)[C@@H](C)NC(=O)c1ccoc1)c1c(C)noc1C	160547245	NINBIQPIQDWFHV-MFKMUULPSA-N	319.361	2.270	70	20	DEID	
C[C@@H](NC(=O)[C@@H]1CC1(C)C)c1ccc(S(=O)(=O)N(C)C)cc1	159808098	SVWOWKDDNKRUAO-RISCZKNCSA-N	324.446	2.160	70	20	DEID	
CC(C)C[C@@H](Cc1ccccc1)C(=O)NCCS(=O)(=O)F	2088604579	QTLZYCMROQGQFE-AWEZNQCLSA-N	315.410	2.307	70	20	DEID	
C=CCCO[C@H](C)C(=O)Nc1ccc(S(=O)(=O)F)cc1	185104197	FXAAPZCPWDAZGZ-SNVBAGLBSA-N	301.339	2.265	70	20	DEID	
CC(C)(C)c1nsc(NCC2CCS(=O)(=O)CC2)n1	160122697	ZHWNTUCJPRXJQA-UHFFFAOYSA-N	303.453	2.072	70	20	DEID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)c1ccc(Cl)nn1	865204836	LIKVNPUOYDKRHA-UHFFFAOYSA-N	315.713	2.041	70	20	DEID	
CN(C)C(=O)CN(C)c1ncc(Cl)cc1Br	159730977	DZKCWERLZFXKJG-UHFFFAOYSA-N	306.591	2.022	70	20	DEID	
Cc1csc(CNC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)n1	161336447	JVRHLDJYZDPWAQ-RTXFEEFZSA-N	307.419	2.208	70	20	DEID	
CN(C(=O)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)C1CC1	160086577	AAHGYDBIJBXABP-SECBINFHSA-N	310.756	2.453	70	20	DEID	
CCOC[C@H]1CCCN(C(=O)NCCCC(=O)OC(C)C)C1	160226089	FUYDTXCJKCUCRT-AWEZNQCLSA-N	314.426	2.176	70	20	DEID	
O=C(NCCn1cccc1)C(=O)Nc1cccc2ccccc12	160255937	DAOWJDQPJGEDDD-UHFFFAOYSA-N	307.353	2.396	70	20	DEID	
CS(=O)(=O)CCN(C(=O)Nc1cc(F)cc(F)c1)C1CC1	160453239	TXGNSRLPCBUCAX-UHFFFAOYSA-N	318.345	2.006	70	20	DEID	
CC[C@@H](C)CN(CC)[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1	160526429	UTSJRMYUNBJJIS-OLZOCXBDSA-N	305.422	2.481	70	20	DEID	
CSC[C@](C)(O)CNC(=O)c1cnn(CCC(C)C)c1C	160597425	CFIXVXSKIHMAGM-OAHLLOKOSA-N	313.467	2.081	70	20	DEID	
Cc1cccc([C@@H](NC(=O)C2=COCCO2)c2ccccn2)c1	159806806	XCCKGMIORSZIKD-QGZVFWFLSA-N	310.353	2.484	70	20	DEID	
CN(CCn1ccnc1)[C@@H]1CCN(c2ccccc2Cl)C1=O	159815669	FENATODFNFWFJN-OAHLLOKOSA-N	318.808	2.274	70	20	DEID	
Cc1ccc(F)c(S(=O)(=O)N(C)CCc2nccs2)c1	159656650	LWZVSINNVKUBSH-UHFFFAOYSA-N	314.407	2.454	70	20	DEID	
Cc1ccc(C(=O)CCN(C2CC2)[C@H](C)CS(C)(=O)=O)cc1	159673856	VFVKFKWFCDAFBS-CQSZACIVSA-N	323.458	2.465	70	20	DEID	
CCCN(Cc1ccccc1)C(=O)NC[C@@H]1CCCS1(=O)=O	159871726	OXUFEECHXQEPLR-HNNXBMFYSA-N	324.446	2.185	70	20	DEID	
O=C(CS(=O)(=O)c1cccc(C(F)(F)F)c1)[C@H]1CCOC1	159490671	PEWMCRMKIMDSKZ-VIFPVBQESA-N	322.304	2.085	70	20	DEID	
O=C(C[C@@H]1CCCN1)N1CCC(C(F)(F)F)(C(F)(F)F)C1	159499332	HSWZMMAAMFHVOH-QMMMGPOBSA-N	318.261	2.472	70	20	DEID	
COc1ncccc1NC(=O)c1ccc(C(=O)NC2CC2)cc1	159927349	AQUXMRXQYGULNE-UHFFFAOYSA-N	311.341	2.235	70	20	DEID	
CN(Cc1ccc(OCC(F)(F)F)cc1)CC(C)(CO)CO	159564613	PSUYGCJLGRDTNX-UHFFFAOYSA-N	321.339	2.050	70	20	DEID	
C[C@H](O)CN(C)[C@@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1	159385953	JLYXDFXUWMKEBM-UWVGGRQHSA-N	320.311	2.225	70	20	DEID	
O=C(NCCNC(=O)C1CC1)c1cncc(-c2ccccc2)c1	159778966	NNYWOQAHXHVWSY-UHFFFAOYSA-N	309.369	2.005	70	20	DEID	
O=C(COc1ccccc1)Nc1cccc(S(=O)(=O)F)c1	460087915	BMXAGHAGJCUQCF-UHFFFAOYSA-N	309.318	2.362	70	20	DEID	
Cc1c(F)cccc1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1120944063	DZABQUBWDKWILZ-UHFFFAOYSA-N	300.286	2.373	70	20	DEID	
O=S(=O)(F)c1ccc(N[C@H]2CCCN3CCCC[C@@H]23)nc1	1550627348	FDSSMQONDMFKNR-STQMWFEESA-N	313.398	2.169	70	20	DEID	
C1CCC2(CC1)OC[C@H](CNC1CCC3(CC1)OCCO3)O2	161034515	RCQJAHBFIITFIE-HNNXBMFYSA-N	311.422	2.338	70	20	DEID	
COc1cc(CCC(=O)NC2CCN(C)CC2)ccc1Cl	161075768	KFHXLOBBJMYMMH-UHFFFAOYSA-N	310.825	2.492	70	20	DEID	
COC(=O)[C@@](C)(NC(=O)Cc1ccc(F)cc1Cl)C1CC1	161292931	OGZJYADUIVMZQX-HNNXBMFYSA-N	313.756	2.480	70	20	DEID	
CCCn1c(C)nnc1Cn1nnc(-c2ccc(F)c(C)c2)n1	161308180	YXSPAOMEDCKKBZ-UHFFFAOYSA-N	315.356	2.146	70	20	DEID	
CN(CC1(O)CCCC1)C(=O)Nc1ccc(-n2cccn2)nc1	160131944	GUZMXCJYVDKKHH-UHFFFAOYSA-N	315.377	2.036	70	20	DEID	
CCCNC(=O)[C@H](C)[S@@](=O)c1ncc(C(C)(C)C)s1	160445423	WOAFRDNRUPYDLE-UGZDLDLSSA-N	302.465	2.463	70	20	DEID	
CC[C@H](NC(=O)Nc1cccc(C(=O)NC)c1C)[C@@H]1CCCO1	160490485	HSHNLANJKOXUAQ-ZFWWWQNUSA-N	319.405	2.434	70	20	DEID	
O=C(Cc1cccs1)NC1CCN([C@H]2CCCC[C@H]2O)CC1	160505365	YGEDENRYMKERPK-JKSUJKDBSA-N	322.474	2.175	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)c1cnn(-c2ccccc2F)c1	160624500	ASDHGZBZSOMLLS-NSHDSACASA-N	319.336	2.083	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)Cc1ccccc1OC(F)F	160783975	RUYZUOYVDCGWRJ-SNVBAGLBSA-N	315.316	2.288	70	20	DEID	
CN(C)c1ncccc1NC(=O)c1ccc(C(=O)NC2CC2)cc1	160790494	CFWRURRGHFYWGF-UHFFFAOYSA-N	324.384	2.292	70	20	DEID	
Cc1noc(Cl)c1CC(=O)NCCc1cn2ccccc2n1	159400176	FIGIGPPOAASOOP-UHFFFAOYSA-N	318.764	2.186	70	20	DEID	
CC[C@@H](C)NC(=O)C(=O)Nc1cnn(-c2ccccc2F)c1C	159907533	IPABYLUVGVDYNP-SNVBAGLBSA-N	318.352	2.173	70	20	DEID	
CSC[C@@](C)(O)CNCc1csc(-c2ccccn2)n1	217864922	MAAZACQXBYUEGU-AWEZNQCLSA-N	309.460	2.409	70	20	DEID	
CC(C)S(=O)(=O)CCCN1CCN(Cc2ccccc2)CC1	160468723	UMMGOYSPTKAVOC-UHFFFAOYSA-N	324.490	2.018	70	20	DEID	
COC(=O)c1ccc(F)cc1S(=O)(=O)N(C)[C@@H](C)C1CC1	218053383	ZZXFPAVHWMLRGF-VIFPVBQESA-N	315.366	2.031	70	20	DEID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)c1cccc2nccn12	776367955	KOBCGSJGOHAMFD-UHFFFAOYSA-N	319.317	2.245	70	20	DEID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N[C@@](C)(C#N)C(C)C	1336590808	HWHDVHDTGNVYCT-AWEZNQCLSA-N	312.366	2.321	70	20	DEID	
Cn1cnnc1CSc1nncn1CCc1cccs1	161014101	FDWRIFUJYYYPHH-UHFFFAOYSA-N	306.420	2.003	70	20	DEID	
CCC[C@](C)(CO)NC(=O)NC[C@@H]1CCCCN1CC(C)C	161016338	RJMQQRSHBZJQBQ-DOTOQJQBSA-N	313.486	2.347	70	20	DEID	
CCC(CC)(CN)C(=O)NCc1cccc(NC(=O)N(C)C)c1	161243943	QHHDCDRIPRWWGX-UHFFFAOYSA-N	320.437	2.161	70	20	DEID	
COC(=O)c1ccc(/C=C/C(=O)N2CCOC[C@H]2C2CC2)cc1	161267681	SDOVSCFWKXRGSD-UFNQUYMESA-N	315.369	2.124	70	20	DEID	
CCc1noc([C@H](C)N2CCC[C@H](c3nncn3CC)C2)n1	161284726	YVLUIWOUDGJWDE-RYUDHWBXSA-N	304.398	2.184	70	20	DEID	
CC(C)(C)c1ncc(NC(=O)c2cccc3[nH]c(=O)oc23)cn1	161305848	QEMISXYOUMROCZ-UHFFFAOYSA-N	312.329	2.461	70	20	DEID	
Cc1csc(CNC(=O)N[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)n1	161336359	JVRHLDJYZDPWAQ-DRZSPHRISA-N	307.419	2.208	70	20	DEID	
CCCCn1ncc(NC(=O)N[C@@H](CCO)CSC)c1C	160092472	VGUHZLMEVPVFIB-LBPRGKRZSA-N	314.455	2.227	70	20	DEID	
CCCC(=O)N[C@H]1CCCN(C(=O)Cc2nc(C)sc2C)C1	160146890	OPXKLHQXPZKQGL-ZDUSSCGKSA-N	323.462	2.210	70	20	DEID	
O=C(Nc1cccc(C(=O)N(CCCCO)C2CC2)c1)C1CC1	160173321	SXVDGAWHXBHHAT-UHFFFAOYSA-N	316.401	2.412	70	20	DEID	
Cc1cccc([C@@H](C)NC(=O)NC[C@@H]2CCCS2(=O)=O)c1C	160194101	MZRGICMIQFIHOC-KGLIPLIRSA-N	324.446	2.241	70	20	DEID	
CN(C(=O)c1ccc(Br)cc1-n1cncn1)C1CC1	160544062	PISNJFGMBANLKJ-UHFFFAOYSA-N	321.178	2.264	70	20	DEID	
Cn1cc(NC(=O)c2cc(C(C)(C)C)n[nH]2)cc(Cl)c1=O	160606275	TYTHRHAWPHQFHK-UHFFFAOYSA-N	308.769	2.312	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)c1ccc(NC(=O)C2CC2)cc1	160636365	OJJBXBIOAFIHKN-LLVKDONJSA-N	318.373	2.107	70	20	DEID	
Cc1noc(CCC(=O)NCCc2csc(C(C)(C)C)n2)n1	160657168	CDFONALSIGQEMG-UHFFFAOYSA-N	322.434	2.424	70	20	DEID	
C[C@H]1CCC[C@H](C)N1C(=O)CCCNC(=O)c1cccnc1	160766019	JBBGIUHULQCABK-KBPBESRZSA-N	303.406	2.381	70	20	DEID	
CC(C)C[C@@H](CO)NC(=O)[C@@H](C)CN(C)C(=O)OC(C)(C)C	160893540	WVDZIRWCTMOGKG-STQMWFEESA-N	316.442	2.013	70	20	DEID	
CS[C@H](C)CNC(=O)N[C@H](C)CN1C[C@@H](C)C[C@H](C)C1	159759494	NULQNRJWQVXHFY-IGQOVBAYSA-N	301.500	2.404	70	20	DEID	
CSC1(C(=O)Nc2ccc(F)c(CS(=O)(=O)F)c2)CC1	876319077	OFXLTTMGMNMQDN-UHFFFAOYSA-N	321.370	2.459	70	20	DEID	
CC(C)[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1348034782	NLVSJLQYUBPBKW-SNVBAGLBSA-N	302.371	2.181	70	20	DEID	
CC(C)[C@@H](NC(=O)Nc1ncc(-c2ccccc2)s1)C(N)=O	161127795	CFIKFWWQWQODLO-GFCCVEGCSA-N	318.402	2.442	70	20	DEID	
CCc1ccc(NC(=O)Cn2c(-c3cccnc3)noc2=O)cc1	161323610	TWQPNNLZDFCJDY-UHFFFAOYSA-N	324.340	2.099	70	20	DEID	
CC(C)S(=O)(=O)CC(=O)N1CCc2c(Cl)cccc21	161447018	BTKAABZZKXXHOS-UHFFFAOYSA-N	301.795	2.052	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)c1cc(-c2ccccc2)[nH]n1	160267773	SLWBVZBDGAUOKB-NSHDSACASA-N	301.346	2.148	70	20	DEID	
O=C(/C=C/c1ccco1)NC1CCN([C@H]2CCCC[C@H]2O)CC1	160309319	RZMTUWABPYWGDK-UAEOLWBESA-N	318.417	2.177	70	20	DEID	
CN(CC(=O)Nc1ccnn1C1CCCC1)Cc1cccnc1	160465879	PVAOOVIWQXNTKA-UHFFFAOYSA-N	313.405	2.464	70	20	DEID	
Cn1ccnc1[C@@H](O)[C@@H]1CCCN(C(=O)Nc2ccsc2)C1	160502734	OHTXALZNGVEWBQ-YPMHNXCESA-N	320.418	2.459	70	20	DEID	
C[C@@H]1OCCN(C(=O)NC[C@@H](C)N2CCc3ccccc32)[C@@H]1C	159886832	AYBLGZFQECCBAA-KFWWJZLASA-N	317.433	2.256	70	20	DEID	
O=C(Nc1cccc(S(=O)(=O)F)c1)[C@H]1CSCCS1	460088468	CROKBBCVRDUTHQ-SNVBAGLBSA-N	321.420	2.132	70	20	DEID	
N#Cc1cccc(NC(=O)c2cccc(S(=O)(=O)F)c2)c1	1120785129	NTJAXKYJXFGMIG-UHFFFAOYSA-N	304.302	2.469	70	20	DEID	
O=C([C@H]1CCCNC1)N1CCC(C(F)(F)F)(C(F)(F)F)C1	161083692	MGJQWAIEFUXTJJ-QMMMGPOBSA-N	318.261	2.329	70	20	DEID	
CC(C)(C)c1ncc(NC(=O)CNC(=O)CC2CCCC2)cn1	161220387	USSAJEGQJXATTQ-UHFFFAOYSA-N	318.421	2.409	70	20	DEID	
O=C(Nc1nnc(Cc2cccc(Cl)c2)s1)[C@H]1CCNC1	161394645	NIRXIIXPZVCLCQ-JTQLQIEISA-N	322.821	2.330	70	20	DEID	
CC1(C)NC(=O)N(CCCOc2ccc3[nH]ccc3c2)C1=O	160039466	TTWJWHWPJBGTOZ-UHFFFAOYSA-N	301.346	2.267	70	20	DEID	
CC[C@@H](CCO)NC(=O)NCC(C)(C)c1cccc(OC)c1	160278772	LXLIBQXEQHTMML-AWEZNQCLSA-N	308.422	2.433	70	20	DEID	
COC1(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)CCNCC1	160344288	YBHNEGMRWQSYLX-AWEZNQCLSA-N	318.417	2.174	70	20	DEID	
CCOC(=O)C1(C(=O)Nc2nnc(CC(C)C)s2)CCC1	160347603	HDOMKQUDCZKCFC-UHFFFAOYSA-N	311.407	2.409	70	20	DEID	
Cc1cc(C(=O)N2CCOC[C@H]2[C@H]2CCCCC2=O)c(C)o1	160412315	JZDVEQSJDTXZFF-HIFRSBDPSA-N	305.374	2.497	70	20	DEID	
CN[C@H]1CCN(C(=O)Cc2csc(-c3cccc(F)c3)n2)C1	160475422	ANAUKYAQABEJJN-ZDUSSCGKSA-N	319.405	2.312	70	20	DEID	
CN[C@H]1CCN(C(=O)c2cc(Cl)ccc2OC(F)F)C1	160541177	NDBLQNNICLSAEI-VIFPVBQESA-N	304.724	2.375	70	20	DEID	
O=C(c1ccc(N2CCCC2)c(F)c1)N1C[C@@H]2CCC[C@H](C1)N2	160595227	QFBFHSQYRCHEPP-GASCZTMLSA-N	317.408	2.392	70	20	DEID	
CCCCOCCNC(=O)Nc1ccc(-c2ncn(C)n2)cc1	160607228	MZRBSIAIPJMUFL-UHFFFAOYSA-N	317.393	2.420	70	20	DEID	
CC(C)c1ccc2c(c1)CCCN2C(=O)C1(NC(N)=O)CC1	160943962	SIFKPGVDSZJMIX-UHFFFAOYSA-N	301.390	2.290	70	20	DEID	
C[C@H]1CCC[C@H](C(=O)Nc2cccc(NS(N)(=O)=O)c2)C1	159862947	NIXQODFBYXOCLV-QWRGUYRKSA-N	311.407	2.067	70	20	DEID	
COC(=O)c1c[nH]c(=O)c(NC(=O)c2ccc(Cl)c(F)c2)c1	159511736	XLZDREASWBHNFX-UHFFFAOYSA-N	324.695	2.206	70	20	DEID	
Cc1ccc2c(c1)[C@@H](NC(=O)N(CCN(C)C)C(C)C)CO2	159715202	ZAOSONRVWAVJSA-HNNXBMFYSA-N	305.422	2.410	70	20	DEID	
NC(=S)c1ccc(C(=O)N[C@H]2CCC[C@H]3OCC[C@H]23)cc1	159757402	QRSYKXOVWVNJBD-HZSPNIEDSA-N	304.415	2.008	70	20	DEID	
CC1(C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccncc3)cc21	159592985	IQYGAPBQMFXFQL-UHFFFAOYSA-N	317.370	2.112	70	20	DEID	
C[C@H](Oc1cccnc1)C(=O)Nc1cccc(S(=O)(=O)F)c1	460088646	CUNUAESDGZLQJA-JTQLQIEISA-N	324.333	2.146	70	20	DEID	
C[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CCCCC1	1262788353	ZYKNKWQNMKMNRA-VIFPVBQESA-N	302.371	2.372	70	20	DEID	
CN(CC1CCOCC1)C(=O)Nc1cccc([S@](C)=O)c1	161114689	UEMZTHJSZFWECI-OAQYLSRUSA-N	310.419	2.314	70	20	DEID	
CCOC(=O)NCCCC(=O)NCCc1ccc(C)cc1C	161474638	LWDDMYLDFAXBFB-UHFFFAOYSA-N	306.406	2.488	70	20	DEID	
CCCN1CCCN(C(=O)c2cc(-c3ccncc3)on2)CC1	160377162	SRRWOZCEWIRYSM-UHFFFAOYSA-N	314.389	2.295	70	20	DEID	
CC(C)[C@@H](CCO)NC(=O)C[C@H]1Sc2ccccc2NC1=O	160587617	BZIHQWHGIKTPLV-BXUZGUMPSA-N	322.430	2.013	70	20	DEID	
CCOCCO[C@H]1CCN(C(=O)Nc2ncc(CC)s2)C1	160620498	IWMUULJIOUQCGZ-NSHDSACASA-N	313.423	2.365	70	20	DEID	
C[C@H]1CCC[C@@H](CNC(=O)c2ccc3[nH]c(=O)n(C)c3c2)C1	160784027	UEKIAUDFPYRXQI-NWDGAFQWSA-N	301.390	2.423	70	20	DEID	
CC(C)CN1CCCC[C@H]1CNC(=O)NCC[C@H](O)C(C)C	160918455	UUOJWGXEFJWDCC-HOTGVXAUSA-N	313.486	2.203	70	20	DEID	
C[C@@H](O)[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)N(C)CCO3)C1	159638019	ZIGGHEJGTYATKU-CHWSQXEVSA-N	319.405	2.140	70	20	DEID	
CN(CCc1nccs1)S(=O)(=O)c1cc(F)ccc1F	159644894	LDNBLUDTUQYYGQ-UHFFFAOYSA-N	318.370	2.285	70	20	DEID	
CC(=O)N1CC[C@@H](NC(=O)c2sc(C3CCCC3)nc2C)C1	159849938	AJCSAZVKSJITJM-CYBMUJFWSA-N	321.446	2.460	70	20	DEID	
CC(C)Oc1cc(CNC(=O)NC[C@H](C)N(C)C2CC2)ccn1	159863626	YNDCKFHAEXMYPM-ZDUSSCGKSA-N	320.437	2.151	70	20	DEID	
CC(C)N(Cc1cccnc1)C(=O)c1ccc2[nH]c(=O)n(C)c2c1	159516889	YJPGPMPTOSHDBH-UHFFFAOYSA-N	324.384	2.312	70	20	DEID	
Cc1ncsc1CNC(=O)Nc1ccnn1C[C@@H]1CCOC1	159529193	HMJKIBMUNBXXEE-NSHDSACASA-N	321.406	2.006	70	20	DEID	
Cc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@@H]1CCCCO1	159937760	SPAZJLJBBSRJCW-KRWDZBQOSA-N	317.433	2.254	70	20	DEID	
c1cn(-c2ccc(CN[C@H]3[C@H]4CCO[C@@H]4C34CCC4)cn2)cn1	159577939	LJVNPDJSZOVYRI-PVAVHDDUSA-N	310.401	2.315	70	20	DEID	
CN(C)c1ncccc1C(=O)Nc1ccc(S(=O)(=O)F)cc1	122989396	VMYXLROZGCIIAB-UHFFFAOYSA-N	323.349	2.058	70	20	DEID	
COC(=O)Cn1cc(CCSc2ncc(C(C)(C)C)o2)nn1	160060168	DWQWNBCSGDXBIM-UHFFFAOYSA-N	324.406	2.071	70	20	DEID	
CCc1n[nH]c(=O)c(CNC(=O)N(CC)CC(C)C)c1CC	160330593	TUEBSGXHGDSZKI-UHFFFAOYSA-N	308.426	2.082	70	20	DEID	
COc1ncncc1NC(=O)C(=O)Nc1ccc(C(C)C)cc1	160365484	WLAGYYWERGKZLY-UHFFFAOYSA-N	314.345	2.186	70	20	DEID	
O=C(NCCOc1ncccc1Cl)NCc1ncccc1F	160394545	GNWHNXSVHWPKNF-UHFFFAOYSA-N	324.743	2.147	70	20	DEID	
Cc1cc(C(=O)NC[C@@H](O)CN2CCCCC2)c(C)n1C(C)C	160400205	CDSROEGVESDBOB-MRXNPFEDSA-N	321.465	2.262	70	20	DEID	
CC(C)CCn1cc(C(=O)N(C)c2ccc3c(c2)OCO3)nn1	160616507	PSVLPOGRANBOTN-UHFFFAOYSA-N	316.361	2.330	70	20	DEID	
COC[C@H](NCc1ccc(CN2CCOCC2)cc1)C(C)C	160619650	JEUNRHTVWXKTHP-SFHVURJKSA-N	306.450	2.279	70	20	DEID	
CN1CCC(N(Cc2ccco2)C(=O)[C@@H]2CCCCO2)CC1	160703238	BITFFJVDOYHCHE-INIZCTEOSA-N	306.406	2.272	70	20	DEID	
CN(Cc1cccn1C)C(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1	160796979	VIWSNFIMJPYVKV-AWEZNQCLSA-N	319.449	2.268	70	20	DEID	
CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1cc(C)c(C)o1	159631152	MCLWMGUSCVOMIU-CMPLNLGQSA-N	310.419	2.326	70	20	DEID	
Cc1noc(C)c1[C@@H](C)CNC(=O)NC[C@@H](C)N(C)C1CC1	159862950	RQUZATFTVLBMDU-WDEREUQCSA-N	308.426	2.177	70	20	DEID	
CN(CC(=O)Nc1nccs1)Cc1cccc(N(C)C)c1	159865666	CPFHZOVZJQLCBA-UHFFFAOYSA-N	304.419	2.280	70	20	DEID	
C/C=C/C=C/C(=O)NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2	159494350	OXENBJHUSGJRGK-XRCCYUMASA-N	323.776	2.393	70	20	DEID	
COCCC1(CNC(=O)N2CCCC[C@H]2c2ncc[nH]2)CC1	161089037	UHSQEJCYTYRRIS-ZDUSSCGKSA-N	306.410	2.463	70	20	DEID	
COC[C@@H](O)CCNC(=O)c1cccc(OCC=C(C)C)c1	161412576	MNKVYLYYSRQZLR-HNNXBMFYSA-N	307.390	2.159	70	20	DEID	
Cn1nc(C2CCCCC2)cc1NC(=O)C[C@H]1COC(=O)C1	161421645	XACYNFNYAFXOQQ-LLVKDONJSA-N	305.378	2.360	70	20	DEID	
Cc1ccc(-n2ccnc2)c(C(=O)NCCSCCCO)c1	161505978	AYHMSLYKQBWPMP-UHFFFAOYSA-N	319.430	2.026	70	20	DEID	
CCCCn1ncc(NC(=O)NCCCO[C@H]2CCOC2)c1C	160017887	FXQVDYCXZJGELW-AWEZNQCLSA-N	324.425	2.309	70	20	DEID	
CCN(C(=O)[C@@H]1CCCO1)c1ccccc1S(=O)(=O)CC	160062564	MXTMLLOWUINYKD-ZDUSSCGKSA-N	311.403	2.012	70	20	DEID	
Cc1nc2c(s1)[C@@H](NCCN1CCC(N(C)C)CC1)CCC2	160251437	LLDVUOLXIUGONY-HNNXBMFYSA-N	322.522	2.445	70	20	DEID	
O=C(C1CC1)N(CCO)Cc1cc(Br)ccc1F	160276389	GMIHNKDMFXBMGJ-UHFFFAOYSA-N	316.170	2.319	70	20	DEID	
Cc1conc1NC(=O)C(=O)N1CCC[C@H]1Cc1ccccc1	160362727	HGQDEICHKCIXIG-AWEZNQCLSA-N	313.357	2.155	70	20	DEID	
CC1(C)C[C@H](NCc2cnc(N3CCOCC3)s2)CCO1	160557586	STQQJCSAVBCIMD-GFCCVEGCSA-N	311.451	2.027	70	20	DEID	
CC(C)CN(CCN(C)C)C(=O)N[C@@H]1CCN(C2CCCC2)C1	160850423	SWXDEDNTWVHOCT-MRXNPFEDSA-N	324.513	2.233	70	20	DEID	
CN(C)c1ccccc1N(C)C(=O)c1cnc2c(c1)ncn2C	160914610	VLIXDCHIZDEJNH-UHFFFAOYSA-N	309.373	2.311	70	20	DEID	
CC(C)NCCC(=O)NCc1nc(-c2cccc(Cl)c2)no1	160937175	UTZAZUBGVKINLF-UHFFFAOYSA-N	322.796	2.394	70	20	DEID	
Cc1ccc(OCCNC(=O)NOCc2cccnc2)cc1	160995227	USVUCCNMFGWJBG-UHFFFAOYSA-N	301.346	2.200	70	20	DEID	
O=C(NCC1(C2CC2)CC1)C(=O)c1cnn(-c2ccccc2)c1	159638639	MEXIZWSFAJLOHL-UHFFFAOYSA-N	309.369	2.361	70	20	DEID	
C[C@H]1C[C@H](C)CN(CCCNC(=O)[C@H](O)c2ccccc2)C1	159667378	GDNDWSDXFIWWLD-YQQAZPJKSA-N	304.434	2.204	70	20	DEID	
CC[C@H](C)NS(=O)(=O)c1cccc2c(C(=O)OC)nccc12	159941601	JERRRPYJXOGFNC-JTQLQIEISA-N	322.386	2.098	70	20	DEID	
CN1C[C@@H](NC(=O)NC2(c3ccccc3)CCCC2)CCC1=O	159954338	MPQYNQZENMXMKZ-HNNXBMFYSA-N	315.417	2.376	70	20	DEID	
COc1ccc(NC(=O)[C@@H](C)Nc2cc(C)n(C)n2)c(OC)c1	159591548	FSVUKQPWOQMTLZ-LLVKDONJSA-N	318.377	2.185	70	20	DEID	
O=C(CSc1ccc(O)cc1)N[C@@H]1c2ccccc2C[C@@H]1O	159790764	XYIJCXLCGGHSCQ-DOTOQJQBSA-N	315.394	2.259	70	20	DEID	
Cc1c(C(=O)Nc2ccc(C(N)=O)cc2)cnn1CC(C)C	159997740	LFQWCYYQNOOAKT-UHFFFAOYSA-N	300.362	2.199	70	20	DEID	
O=C(Nc1cccc(F)c1F)c1cc(S(=O)(=O)F)c[nH]1	1262732404	GOUZQJMMCNOUOL-UHFFFAOYSA-N	304.249	2.203	70	20	DEID	
CC(C)CN1CCCC[C@@H]1CNC(=O)NC[C@H](O)C(C)(C)C	161001900	XWESDTFZFCHCSJ-CABCVRRESA-N	313.486	2.203	70	20	DEID	
Cc1cccc(C(=O)Nc2cccc(S(N)(=O)=O)c2)c1F	161387785	QQECGAZEGGGTKD-UHFFFAOYSA-N	308.334	2.034	70	20	DEID	
C[C@H]1CC[C@H](C)N1C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O	161469240	TULHSGAHPPVAKZ-RYUDHWBXSA-N	322.430	2.022	70	20	DEID	
CCNC(=O)CN(CC)C(=O)C[C@H](C)c1ccc(F)cc1F	160004940	MJOGVAUDHQFABV-NSHDSACASA-N	312.360	2.443	70	20	DEID	
Cc1cc([C@@H](C)NC(=O)C(=O)Nc2nocc2C)c(C)s1	160194374	ULKYGXYCHYYSEE-SECBINFHSA-N	307.375	2.477	70	20	DEID	
O=C(NC1CC1)[C@H]1CCCN1C(=O)NCC1(C2CC2)CCC1	160217609	AJXXNEVWDZWWSL-CQSZACIVSA-N	305.422	2.019	70	20	DEID	
CS(=O)(=O)Cc1ccc(NC(=O)[C@@H]2C[C@@H]2C2CC2)cc1F	160443701	MGTTWXQQSZXLGD-CHWSQXEVSA-N	311.378	2.355	70	20	DEID	
CCc1nn(C)c(Cl)c1C(=O)NCCN1CCC[C@@H](C)C1	160497545	ZVTKDFHLZXWPOI-LLVKDONJSA-N	312.845	2.098	70	20	DEID	
CN[C@@H]1CCN(C(=O)CCOc2ccc(F)cc2Cl)C1	160659436	WXZIPCXLFSCESD-LLVKDONJSA-N	300.761	2.068	70	20	DEID	
CCn1c(SCc2nnc(C)n2C)nnc1-c1ccco1	160984574	UQQTZCFJIWSJOI-UHFFFAOYSA-N	304.379	2.287	70	20	DEID	
O=C(CCSc1ccccn1)NC[C@@H](O)c1ccsc1	159603140	KXKRYADGHAVAPP-GFCCVEGCSA-N	308.428	2.475	70	20	DEID	
Cc1c(C(=O)NC[C@@H](C)CN2CCCC2)cnn1CC(C)C	159422563	PFNONTKQJQCRBK-CQSZACIVSA-N	306.454	2.309	70	20	DEID	
CN(C[C@H]1CCCOC1)C(=O)c1cc2c([nH]c1=O)CCCCC2	159443523	CTODDNNUBMFRQM-CYBMUJFWSA-N	318.417	2.142	70	20	DEID	
Cc1ccc([C@H](O)CNS(=O)(=O)Cc2ccc(F)cc2)cc1	159453875	RCBNWIJGRIGRNJ-MRXNPFEDSA-N	323.389	2.287	70	20	DEID	
CC[C@@H](C(=O)N[C@@H]1CCc2nc(C)nn2C1)c1ccc(F)cc1	159672953	HIPAUJLKTATEQT-HUUCEWRRSA-N	316.380	2.350	70	20	DEID	
CCc1ccccc1NC(=O)C(=O)NC[C@H]1CSCCS1	159689314	QDXGXVWZHZUAKW-LBPRGKRZSA-N	324.471	2.152	70	20	DEID	
CCOC(=O)CN(C)[C@@H](C)C(=O)Nc1ccc(F)cc1Cl	159506689	ZMKRDPFBBMITJK-VIFPVBQESA-N	316.760	2.301	70	20	DEID	
CCCNC(=O)[C@@H](C)N1CCO[C@]2(CCc3ccccc32)C1	159570854	PPTUDGTVAPDZFA-RDTXWAMCSA-N	302.418	2.075	70	20	DEID	
Cc1cccc(OCCNC(=O)[C@@H](C)Nc2cc(C)n(C)n2)c1	159597767	AXNDNYPDKGTNJU-CQSZACIVSA-N	316.405	2.033	70	20	DEID	
C[C@H](C(=O)OC(C)(C)C)N1CCN(C(=O)OC(C)(C)C)CC1	217725853	KROZUPKSIJMJSH-GFCCVEGCSA-N	314.426	2.269	70	20	DEID	
CC[C@H]1CC[C@H](C(=O)Nc2ccc(S(=O)(=O)F)cc2)O1	274977877	OZBBIDPESNKFPZ-CMPLNLGQSA-N	301.339	2.241	70	20	DEID	
C[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1(C)C	1346928822	HBTRARDUJNRCQG-SECBINFHSA-N	302.371	2.181	70	20	DEID	
C[C@@H]1NCCN(C(=O)Cc2ccccc2Br)[C@@H]1C	217268423	VVJRVDBMKYFFQG-WDEREUQCSA-N	311.223	2.200	70	20	DEID	
COC[C@@H](O)CCNC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1	161032917	AGUJOFVMIPEGME-HIFRSBDPSA-N	323.433	2.265	70	20	DEID	
CCS(=O)(=O)c1cccc(CC(=O)N2CCC3(CCC3)C2)c1	161057771	PGSMYSWSMGKTPC-UHFFFAOYSA-N	321.442	2.425	70	20	DEID	
COC[C@H](O)CCNC(=O)COc1cc(C)ccc1C(C)C	161119480	BSGCSVAPMHQDEU-CQSZACIVSA-N	309.406	2.011	70	20	DEID	
CCOCCC1(CNC(=O)[C@H]2CCc3cn[nH]c3C2)CCC1	161126800	LSMTXRFSKXRSCQ-ZDUSSCGKSA-N	305.422	2.228	70	20	DEID	
CN(Cc1ccccc1)CC(C)(C)NC(=O)Nc1cnn(C)c1	161264258	SMQJUDGBEGHACY-UHFFFAOYSA-N	315.421	2.452	70	20	DEID	
CC(C)Cn1cc(NC(=O)N[C@@H]2c3ccccc3C[C@H]2O)cn1	161337736	KLEZWJHTGXZTLT-HZPDHXFCSA-N	314.389	2.319	70	20	DEID	
CCc1cccc(CC(=O)NC2CCN(CCOC)CC2)c1	161350515	BAOMKVSRJZPIKC-UHFFFAOYSA-N	304.434	2.019	70	20	DEID	
N[C@@H]1CCC[C@@H](NC(=O)CCCOCCc2ccccc2)C1	161505756	DBNYOEAIYQXAKB-IAGOWNOFSA-N	304.434	2.412	70	20	DEID	
CCC(=O)N1CC[C@H](C(=O)N[C@H](CC)c2c(C)noc2C)C1	160100154	LWONCTXPNNZFTQ-QWHCGFSZSA-N	307.394	2.117	70	20	DEID	
Cc1cc(C)cc(-c2nnc(NC(=O)[C@@H]3CSCN3)s2)c1	160115295	VZKFAWVELFEWPJ-NSHDSACASA-N	320.443	2.423	70	20	DEID	
O=S(=O)(N1CCCCC1)N(Cc1cccc(O)c1)CC1CC1	160484118	UHGYRYMNOKMOFB-UHFFFAOYSA-N	324.446	2.335	70	20	DEID	
COc1ccc(NS(=O)(=O)c2c(F)cccc2F)c(C)n1	160665265	PWZWFIMORUMFKO-UHFFFAOYSA-N	314.313	2.478	70	20	DEID	
CCCCN1CCc2ccc(NC(=O)c3ccc(=O)[nH]n3)cc21	160939296	GCRBBLGBUKSTOL-UHFFFAOYSA-N	312.373	2.185	70	20	DEID	
CCOCCC1(CNC(=O)NC[C@@H](C)CN2CCCC2)CC1	159659796	FTHWNIFOVWBKNI-OAHLLOKOSA-N	311.470	2.224	70	20	DEID	
Cc1ccc(NC(=O)C(=O)NCC2(c3ccccc3)CC2)cn1	159911746	KYDHTZJZPSPOFH-UHFFFAOYSA-N	309.369	2.177	70	20	DEID	
CCN(CC)C(=O)CCC(=O)N(C)c1ccc(OC)c(F)c1	159728553	HHNDFPKSEDBJCD-UHFFFAOYSA-N	310.369	2.446	70	20	DEID	
CCN1CCN(C(=O)NCCCOc2c(C)cccc2C)CC1	217298272	KDNYRQUZTAEFRS-UHFFFAOYSA-N	319.449	2.419	70	20	DEID	
Cc1ccc(NC(=O)C(=O)C(C)(C)C)cc1S(=O)(=O)F	857675237	HKYOOWBXZXHGQX-UHFFFAOYSA-N	301.339	2.207	70	20	DEID	
CN(Cc1nccs1)C(=O)c1cccc(S(=O)(=O)F)c1	1121031759	DLRLEZLZFPZGJA-UHFFFAOYSA-N	314.363	2.074	70	20	DEID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N[C@@H](C)C(F)(F)F	1349695985	BBJMLQHBQGISOC-ZETCQYMHSA-N	313.272	2.334	70	20	DEID	
O=C(N[C@@H]1CCC[C@H]1O)C1(c2cccc(Cl)c2)CCOCC1	161284903	HSGZSSXWCBFTLF-HUUCEWRRSA-N	323.820	2.418	70	20	DEID	
COc1cc(F)c(NC(=O)N2CCC[C@](C)(O)C2)cc1OC	161499206	HDAIRGRFFYZQEN-HNNXBMFYSA-N	312.341	2.222	70	20	DEID	
COc1ccccc1[C@@H]1CCN(S(=O)(=O)N2CCCCC2)C1	160530373	FXROFRGNQINYRW-CQSZACIVSA-N	324.446	2.215	70	20	DEID	
CCOC(=O)CCCNC(=O)N[C@@H](C)C[C@H](O)c1ccccc1	160534115	KZZBBVUTRDQUEX-ZFWWWQNUSA-N	322.405	2.141	70	20	DEID	
Cc1cc(C(=O)N2CCC(c3nncn3C)CC2)cc(Cl)n1	160617137	VPQZHXQYOWWGIF-UHFFFAOYSA-N	319.796	2.192	70	20	DEID	
CCCOc1cccc(CC(=O)N(C)Cc2cnn(C)c2)c1	160879081	XYGSKOYSDRDETO-UHFFFAOYSA-N	301.390	2.410	70	20	DEID	
COc1ccc(C(=O)CCC(=O)N[C@H]2CCC[C@@H](N)C2)cc1	160886008	FHTFQZYSENXADD-KGLIPLIRSA-N	304.390	2.044	70	20	DEID	
CCCn1c(C)nnc1CN1CCC(CCC(=O)OC)CC1	160924371	VFJOPOLXYKQDHB-UHFFFAOYSA-N	308.426	2.162	70	20	DEID	
Cc1ccc(N2CC[C@@H](NC(=O)CNc3ccccc3)C2=O)cc1	160924832	IVDICPLNGCHHSX-QGZVFWFLSA-N	323.396	2.329	70	20	DEID	
Cc1nccn1-c1ccc([C@@H](C)NCC(=O)NC(C)C)cc1	160956384	MLWVACJBQDVFAQ-CYBMUJFWSA-N	300.406	2.356	70	20	DEID	
CCCOc1cccc(NC(=O)N2C[C@@H](CO)OC[C@@H]2C)c1	159421122	MGWPKJKRRUVUIF-WFASDCNBSA-N	308.378	2.089	70	20	DEID	
CC[C@@H](C)OCC(=O)NCC(C)(C)NC(=O)OC(C)(C)C	159465408	AYLQTUFBILJACS-LLVKDONJSA-N	302.415	2.221	70	20	DEID	
Cc1ccc(S(=O)(=O)N[C@H]2c3ccccc3C[C@H]2O)c(C)c1	159860092	MHIZHIKCGVBZEW-WBVHZDCISA-N	317.410	2.240	70	20	DEID	
CC(C)C(=O)NCCCNC(=O)Nc1ccc(F)c(F)c1F	159364486	GNLAWCJICWURDY-UHFFFAOYSA-N	317.311	2.388	70	20	DEID	
CCc1cc(O)nc(CN(CCOC)Cc2ccccc2)n1	160518860	LEHMQCURVQBMOB-UHFFFAOYSA-N	301.390	2.393	70	20	DEID	
CCOc1ncccc1NC(=O)c1cccc(S(=O)(=O)F)c1	1120866550	RWMGFJJKXXSJAN-UHFFFAOYSA-N	324.333	2.391	70	20	DEID	
C[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)c1ccsc1	1262787759	HWQFVYKKAFIBGO-ZETCQYMHSA-N	302.352	2.225	70	20	DEID	
CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)[C@H]1CSCN1	161057501	DEBNNHRYGNWJAZ-ZWKOPEQDSA-N	314.838	2.195	70	20	DEID	
C[C@@H]1C[C@@H](NCC(=O)Nc2ccc(Cl)cc2)CN1C1CC1	161111550	QYIAIFVQBHWEIR-BXUZGUMPSA-N	307.825	2.493	70	20	DEID	
C[C@@H](CNC(=O)[C@@H]1[C@@H](N)[C@H]2CC[C@@H]1C2)Oc1ccc(F)cc1	161122433	KJMHLKFKYQVTPN-WYEAJDFLSA-N	306.381	2.083	70	20	DEID	
CC(C)[C@H](NC(=O)Nc1ncc(-c2ccccc2)s1)C(N)=O	161127659	CFIKFWWQWQODLO-LBPRGKRZSA-N	318.402	2.442	70	20	DEID	
C[C@H](c1ccc(F)cc1)N(C)C(=O)N[C@@H]1CCc2ncnn2C1	161177936	GYVIBMPQWCEPNY-BXUZGUMPSA-N	317.368	2.135	70	20	DEID	
CC(C)[C@H](C(=O)N(C)c1ccc2c(c1)OCO2)N1CCCC1=O	160105294	PWUWJWBEPLFFTR-MRXNPFEDSA-N	318.373	2.025	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)c1cn(C)nc1-c1cccs1	160110305	GPGACAXLSUMUNB-JTQLQIEISA-N	321.402	2.220	70	20	DEID	
CC(C)(CO)[C@@H](CNC(=O)Nc1cccnn1)c1ccccc1	160128821	GSUNVPNGXTZJHS-AWEZNQCLSA-N	314.389	2.400	70	20	DEID	
CCCOc1ccccc1NC(=O)C(=O)NCCn1cccc1	160140887	VCHWPWVNRHRHIT-UHFFFAOYSA-N	315.373	2.032	70	20	DEID	
CC[C@@H](COC)NC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1	160169953	VDSFCRDEGCCFLR-SWLSCSKDSA-N	308.378	2.401	70	20	DEID	
CCOC(=O)c1sc(N2CCC(n3ccnn3)CC2)nc1C	160213269	CCYGNAIRSRAVEN-UHFFFAOYSA-N	321.406	2.061	70	20	DEID	
COc1ccc(F)cc1[C@@H](C)NC(=O)N1CCC[C@](C)(O)C1	160469107	XOITVGDANODGTO-BZNIZROVSA-N	310.369	2.452	70	20	DEID	
Cc1cccc2c(CCC(=O)NCC(C)(C)C(N)=O)c[nH]c12	160883527	BYEDGPFJVBIXQY-UHFFFAOYSA-N	301.390	2.037	70	20	DEID	
CC[C@@](C)(CCO)NC(=O)NC[C@H]1CCCCN1CC(C)C	160928810	KEOZRMVDOOUHCX-WBVHZDCISA-N	313.486	2.347	70	20	DEID	
CSC[C@](C)(O)CNC(=O)CSCc1ccc(F)cc1	217654905	XDQKILBKJIFCDO-CQSZACIVSA-N	317.451	2.289	70	20	DEID	
C[C@]1(C(=O)Nc2cccc(S(=O)(=O)F)c2)CCCCO1	460098336	ZSJKSXDQTRUDBO-CYBMUJFWSA-N	301.339	2.243	70	20	DEID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)c1cccc2c1OCO2	460087318	AHFQIGCMHJZCMA-UHFFFAOYSA-N	323.301	2.326	70	20	DEID	
CCC[C@H](OCC)C(=O)Nc1ccc(S(=O)(=O)F)cc1	460096986	YMOWMBKCAUWLHI-LBPRGKRZSA-N	303.355	2.489	70	20	DEID	
C#C[C@@H](C)N(C)C(=O)c1cc(S(=O)(=O)F)ccc1Cl	1262794215	XFYCISFZLIXQKY-MRVPVSSYSA-N	303.742	2.092	70	20	DEID	
COC(=O)C(C)(C)c1ccc(NC(=O)C[C@H]2CCCN2)cc1	161043831	HBSHJRUWHAUDKK-CQSZACIVSA-N	304.390	2.218	70	20	DEID	
COC[C@@H](O)CCNC(=O)[C@@H](C)Oc1cc(C(C)C)ccc1C	161090263	NTIOMVMROSYSPZ-ZBFHGGJFSA-N	323.433	2.399	70	20	DEID	
Cc1ccc2cc(C(=O)N3CCCC[C@@H]3CC(N)=O)ccc2n1	161123748	JTUMDMLBIKVSPH-OAHLLOKOSA-N	311.385	2.413	70	20	DEID	
CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)C2(CCOC)CC2)C1	161134087	ABFIBTAIBYASOL-GJZGRUSLSA-N	324.465	2.347	70	20	DEID	
CC(C)NC(=O)c1ccc(NC(=O)N[C@]2(C)CCOC2)cc1	161409320	MJVRQYPNVNBINS-MRXNPFEDSA-N	305.378	2.125	70	20	DEID	
COC(=O)c1ccc(F)c(NC(=O)NCc2ncccc2F)c1	160109393	ZWMMVIRANWPMPR-UHFFFAOYSA-N	321.283	2.468	70	20	DEID	
C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CC[C@@H](N)C1	160216708	OPCMLMCATOWPAK-ZWNOBZJWSA-N	300.324	2.444	70	20	DEID	
CN(CCCNC(=O)N1CCC[C@](C)(O)C1)C1CCCCC1	160312209	GPVCBFKIJNYXEP-KRWDZBQOSA-N	311.470	2.197	70	20	DEID	
CC[C@H](C)N(C)CCNC(=O)Nc1ccn(CC(F)(F)F)n1	160365215	CYGLSAVDVBIRTR-JTQLQIEISA-N	321.347	2.297	70	20	DEID	
CCC(CC)(CNCC(=O)NCc1ccccc1F)C(=O)OC	159658706	CTBYJONIWZYHBE-UHFFFAOYSA-N	324.396	2.011	70	20	DEID	
Cc1nc(Cl)ccc1C(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1	159856213	NFYCUIVOVQNXOD-SNVBAGLBSA-N	309.797	2.173	70	20	DEID	
Cc1nn(C)c(C)c1[C@@H](OC(=O)[C@@H]1CCCO1)C(F)(F)F	159876579	AZJPUWNZSMKBDA-GXSJLCMTSA-N	306.284	2.363	70	20	DEID	
Cc1noc([C@H](C)N2CCN(C(=O)CCC(C)(C)C)CC2)n1	159705946	FVRHQGIVTOPTTB-LBPRGKRZSA-N	308.426	2.410	70	20	DEID	
CCCCn1ncc(NC(=O)NCCCn2cccn2)c1C	159746065	CTVVMSUCQGIDLL-UHFFFAOYSA-N	304.398	2.400	70	20	DEID	
COC(=O)[C@H](NC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F)C(C)C	159756185	XDKVLMJTIILRHF-MPKXVKKWSA-N	311.328	2.382	70	20	DEID	
O=C(Cc1ccc(Br)c(F)c1)NC1CCOCC1	159561022	VOHITSARJNBWEW-UHFFFAOYSA-N	316.170	2.426	70	20	DEID	
Cc1nccn1-c1ccc(NC(=O)[C@@H](O)c2ccccc2)cn1	159770555	ZCMRTEAMERKVGU-INIZCTEOSA-N	308.341	2.248	70	20	DEID	
O=C(CCc1ccc(S(=O)(=O)F)cc1)N1CC[C@H](CF)C1	1338989800	ZJRALGALQLZFIF-GFCCVEGCSA-N	317.357	2.095	70	20	DEID	
O=C(Cc1ccc(S(=O)(=O)F)cc1)N[C@H]1CCC[C@@H](F)C1	1337475041	NZGHMFWVSNRZGQ-NEPJUHHUSA-N	317.357	2.284	70	20	DEID	
COc1cc(C(=O)N[C@@H](C)c2cccnc2)cc(OC)c1O	161042857	ZIJAGMBKIWRUGR-JTQLQIEISA-N	302.330	2.295	70	20	DEID	
CCCCn1ncc(Nc2cc(COC)nc3ncnn23)c1C	161117056	NCFKUUAEPSNEAA-UHFFFAOYSA-N	315.381	2.319	70	20	DEID	
COCCC(=O)N1CCC(NC(=O)/C=C/C2CCCCC2)CC1	161192677	JYWIOBGHGHPNCL-BQYQJAHWSA-N	322.449	2.267	70	20	DEID	
CC(C)CNC(=O)c1ccc(NC(=O)N[C@]2(C)CCOC2)cc1	161364319	VRPGNAQBENDXNK-QGZVFWFLSA-N	319.405	2.373	70	20	DEID	
CC[C@@H]1CCCCN1CCNC(=O)NCCc1ccncc1C	161389475	QEYVYQZUOFXWNV-QGZVFWFLSA-N	318.465	2.496	70	20	DEID	
O=S(=O)(Cc1noc(C2CCCCC2)n1)C1CCOCC1	160035362	SYWIFTJRIHKSQT-UHFFFAOYSA-N	314.407	2.211	70	20	DEID	
CC(C)c1cc(=O)n(CC(=O)N(C)[C@H]2CCCC[C@@H]2C)cn1	160876118	CBGUKGPLVJATJY-ZFWWWQNUSA-N	305.422	2.404	70	20	DEID	
CS(=O)(=O)Cc1ccc(C(=O)N[C@@H]2CCCc3occc32)o1	159638972	SHOMKJDQYMJJIE-GFCCVEGCSA-N	323.370	2.225	70	20	DEID	
C/C=C/C=C/C(=O)NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2	159494216	OXENBJHUSGJRGK-VGOFJFCRSA-N	323.776	2.393	70	20	DEID	
CCc1nnc(S[C@@H]2CCCN(CC(F)(F)F)C2=O)[nH]1	159528063	LVMACSPYRXUPKH-SSDOTTSWSA-N	308.329	2.013	70	20	DEID	
O=C(CCc1ccc(F)cc1F)N1CCN(CC2CC2)CC1	159530010	CRTYBWNQDQTEON-UHFFFAOYSA-N	308.372	2.452	70	20	DEID	
Brc1ccc(CNCc2nnc[nH]2)c2ncccc12	160315529	RWUFZADMJQHJJF-UHFFFAOYSA-N	318.178	2.405	70	20	DEID	
Cc1ccc(Cl)cc1S(=O)(=O)NCCSCCCO	161337913	PXNPFYIAQPJUGG-UHFFFAOYSA-N	323.867	2.042	70	20	DEID	
COc1ccc(N(C)C(=O)c2ccc(S(=O)(=O)F)cc2)cn1	864240110	PNBQLQYFMNNAKQ-UHFFFAOYSA-N	324.333	2.025	70	20	DEID	
CCSCC[C@@H](C)N(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1121031796	FEQVJZMRAKXCDI-SECBINFHSA-N	322.427	2.277	70	20	DEID	
CCC(CC)(CN)C(=O)NCc1ccccc1Cn1cccn1	161169709	FGJRODJGUJVZIF-UHFFFAOYSA-N	314.433	2.313	70	20	DEID	
C[C@@H]1CN(C(=O)NCCS(=O)(=O)c2ccccc2)CC[C@H]1C	160233076	TZPBWTVIABRISV-ZIAGYGMSSA-N	324.446	2.148	70	20	DEID	
C[C@H](CC(=O)NC[C@@H](O)CN1CCCCC1)c1cccc(F)c1	160514882	ZZEMEFVSUJMEMB-RHSMWYFYSA-N	322.424	2.282	70	20	DEID	
Cc1ccccc1[C@@H](C)CC(=O)NC[C@@H](O)CN1CCCCC1	160582742	ALBJFBFFAUMBTA-DLBZAZTESA-N	318.461	2.452	70	20	DEID	
CCc1cnc(CN(C)C(=O)c2cnc3c(c2)ncn3C)s1	160699723	BYYVLGJJXZXHIZ-UHFFFAOYSA-N	315.402	2.259	70	20	DEID	
C[C@@H](Nc1cccc(NS(C)(=O)=O)c1)C(=O)OC(C)(C)C	160717220	JKMMSEUWPGFRNC-SNVBAGLBSA-N	314.407	2.200	70	20	DEID	
O=C(CSCCN1CCOCC1)NCCC1CCCCC1	159814046	LMTQZELLNKQGCE-UHFFFAOYSA-N	314.495	2.138	70	20	DEID	
C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)NCC1(CO)CCOCC1	159420490	TXZICQTWCBGWGK-KBPBESRZSA-N	312.454	2.290	70	20	DEID	
COc1ccc(C(=O)N(C)C)cc1N[C@@H](C)CCn1cccn1	159424043	JIYDYMXWAHLAIZ-ZDUSSCGKSA-N	316.405	2.484	70	20	DEID	
O=C(CNC[C@@H]1CCCO1)N[C@H]1CCC[C@H]1Cc1ccccc1	159447532	LJALSEIQRHEYBB-BZSNNMDCSA-N	316.445	2.283	70	20	DEID	
CC[C@H](O)CCNC(=O)CCCc1ccc(OC)cc1OC	159853852	KWTKOOUKESOXHS-AWEZNQCLSA-N	309.406	2.304	70	20	DEID	
CN(C)CC[C@@H](NC(=O)c1cnc2c(c1)ncn2C)C(C)(C)C	159856952	WQEOBQPKEKQCIZ-CQSZACIVSA-N	317.437	2.065	70	20	DEID	
CC[C@H](NC(=O)NC[C@@H]1CCCS1(=O)=O)c1ccc(C)cc1	159673509	UUORNHIFUBVEAC-GJZGRUSLSA-N	324.446	2.323	70	20	DEID	
CN(C)C1(CN[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CCC1	218761972	UJVBXJPZPAQMGZ-AWEZNQCLSA-N	311.470	2.460	70	20	DEID	
C[C@@]1(C(=O)Nc2ccc(S(=O)(=O)F)c(F)c2)CCCOC1	857674831	RRFYJVDROSLJGM-CYBMUJFWSA-N	319.329	2.239	70	20	DEID	
COc1ccc(CNC(=O)COc2cc(C)ccc2F)cn1	161058724	ONBXGFSWCBHEOT-UHFFFAOYSA-N	304.321	2.233	70	20	DEID	
CCOc1ccc(C(=O)N[C@@H]2CCC[C@H](N)C2)cc1OCC	161401838	XZHBBBUHWUXCCY-UONOGXRCSA-N	306.406	2.484	70	20	DEID	
N[C@H]1CCC[C@H](NC(=O)c2ccn(-c3ccccc3F)n2)C1	161505179	ODIGQQVCECGFLV-RYUDHWBXSA-N	302.353	2.011	70	20	DEID	
COC(=O)c1cccc(CC(=O)N(C)Cc2cscn2)c1	160036281	NJKIANXWGKDNHC-UHFFFAOYSA-N	304.371	2.131	70	20	DEID	
CSCC[C@H](N)C(=O)NC[C@H](O)c1cc2ccccc2s1	160276811	JAROVUDELYDATI-RYUDHWBXSA-N	324.471	2.131	70	20	DEID	
O=C(/C=C/c1ccco1)NC1CCN([C@@H]2CCCC[C@H]2O)CC1	160309198	RZMTUWABPYWGDK-NXVGNOFTSA-N	318.417	2.177	70	20	DEID	
CN[C@H]1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)C1	160696925	AWFAGFSYYRZFGS-LBPRGKRZSA-N	305.765	2.429	70	20	DEID	
CC[C@@H](O)CCNC(=O)NCc1ccccc1CN(CC)CC	160829344	YQPSVGMXWMJKJC-QGZVFWFLSA-N	321.465	2.489	70	20	DEID	
NC(=O)CC1CCN(C(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)CC1	160874010	VWFACGNMORDSEP-JSGCOSHPSA-N	322.355	2.182	70	20	DEID	
CCCCn1ncc(C(=O)N[C@@](C)(CCC)C(=O)OC)c1C	160919433	CDJRXQPHAGGCIV-INIZCTEOSA-N	309.410	2.453	70	20	DEID	
Cc1nccc(NC(=O)N[C@H]2CCCC[C@H]2C(N)=O)c1Cl	159757098	MSTDMNJCWBNJAC-ZJUUUORDSA-N	310.785	2.209	70	20	DEID	
CN([C@H](CN)C1CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1	159953585	PZHNHEPTBWDDJS-GFCCVEGCSA-N	322.352	2.063	70	20	DEID	
CO[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(F)c(Cl)c1	159771094	KZRKNDFSHMTESE-VXGBXAGGSA-N	314.744	2.101	70	20	DEID	
Cc1cnn(-c2ccc(NC(=O)CNCC3CC3)cc2F)c1	159777679	ICMSTSZCJPRXKQ-UHFFFAOYSA-N	302.353	2.258	70	20	DEID	
O=C(Nc1ccccc1-n1cccn1)N[C@H]1CC[C@H](O)CC1	160785689	DNVDYCYRAGXANG-BETUJISGSA-N	300.362	2.297	70	20	DEID	
C[C@@H]1SCCN(C(=O)c2ccc(S(=O)(=O)F)cc2)[C@@H]1C	865208018	SPSHTQZLGCPPFM-ZJUUUORDSA-N	317.407	2.311	70	20	DEID	
O=C(c1cc(S(=O)(=O)F)ccc1Cl)N1CC[C@@H](CF)C1	1339101937	FNJKUOALGBFENX-QMMMGPOBSA-N	323.748	2.430	70	20	DEID	
C[C@@H]1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1C	1516700833	BFUKSIOWEDJMBV-OPRDCNLKSA-N	302.371	2.227	70	20	DEID	
CCCN(Cc1ccnn1C)C[C@@H]1COc2ccccc2O1	161423964	KVZJPKALMFMZFX-OAHLLOKOSA-N	301.390	2.472	70	20	DEID	
CN(CCOCc1ccccc1)C(=O)c1ccc(C(N)=O)s1	161496725	BRXPCZSKFSLUCS-UHFFFAOYSA-N	318.398	2.136	70	20	DEID	
O=C(NCc1csc(=O)[nH]1)c1cc(F)cc2cccnc12	160302042	QAWLVRLOPJACMK-UHFFFAOYSA-N	303.318	2.054	70	20	DEID	
O=C(/C=C/c1ccco1)NC1CCN([C@H]2CCCC[C@@H]2O)CC1	160309076	RZMTUWABPYWGDK-FNQZAJIHSA-N	318.417	2.177	70	20	DEID	
COc1c(CNC(=O)NCc2ccc(C)c(F)c2)c(C)nn1C	160335876	RFBSNBXMLXKKFG-UHFFFAOYSA-N	320.368	2.184	70	20	DEID	
CCN(CC)C(=O)C[S@@](=O)c1ncc(C(C)(C)C)s1	160473866	QABFCGLSTPOYCC-IBGZPJMESA-N	302.465	2.417	70	20	DEID	
CCc1cc(O)nc(CN(C)CCOc2ccc(OC)cc2)n1	160554720	SZMIYCIGXXIWSG-UHFFFAOYSA-N	317.389	2.264	70	20	DEID	
COc1ccccc1[C@H](NC(=O)N[C@@H](C)CO)c1ccco1	160636821	ZRBVDABFHAGAPG-NHYWBVRUSA-N	304.346	2.058	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)c1ccn(-c2ccc(F)cc2)n1	160641392	XLQCIICPMCABMH-NSHDSACASA-N	319.336	2.083	70	20	DEID	
O=c1cc(N2CCN(c3cccs3)CC2)nc2ccccn12	160686962	IZDQPTDSJJKADT-UHFFFAOYSA-N	312.398	2.083	70	20	DEID	
Cc1cc(F)ccc1CCNC(=O)c1cnc2c(c1)ncn2C	160764713	KSQZTFSWMNGCRP-UHFFFAOYSA-N	312.348	2.388	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)c1ccc(N2CCCC2)c(F)c1	160805180	LZNYPNBZLSQZFN-LBPRGKRZSA-N	322.380	2.497	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)COc1ccc(F)cc1Cl	160816635	BXBIBHNHOAQEEZ-VIFPVBQESA-N	317.744	2.316	70	20	DEID	
CC(C)N(C)C(=O)[C@H](C)Sc1nnc(-c2ccccn2)n1C	159494873	DIJDNRSFCVWSSA-NSHDSACASA-N	319.434	2.225	70	20	DEID	
CC(C)(N)CNC(=O)C1(c2ccc(Br)cc2)CC1	160060980	CPRGXRPKYIOGAY-UHFFFAOYSA-N	311.223	2.334	70	20	DEID	
CCO[C@H](CC)C(=O)Nc1ccc(F)c(CS(=O)(=O)F)c1	876319105	PGEXNUHZXBXITB-GFCCVEGCSA-N	321.345	2.379	70	20	DEID	
C[C@H]1CN(C(=O)CCc2ccc(S(=O)(=O)F)cc2)C[C@@H]1C	1337255073	MSUBBAFONUWSBO-RYUDHWBXSA-N	313.394	2.392	70	20	DEID	
O=C(NNc1cccc(Cl)c1)c1cc(S(=O)(=O)F)c[nH]1	1345452266	RRYJLHGVUQPQTG-UHFFFAOYSA-N	317.729	2.083	70	20	DEID	
COc1ccc(S(=O)(=O)Cl)cc1NC(=O)C(F)(F)F	100671307	DFEBXVWRJFRKNR-UHFFFAOYSA-N	317.672	2.124	70	20	DEID	
CCn1cnnc1[C@@H]1CCCN([C@@H](C)c2nc(C3CC3)no2)C1	161339559	ZKBUSRKOJKDUPG-WCQYABFASA-N	316.409	2.499	70	20	DEID	
CN(C)C[C@](C)(O)CNC(=O)CCC(C)(C)c1ccccc1	161414887	LPJDTAIUTVPOSL-GOSISDBHSA-N	306.450	2.173	70	20	DEID	
Cc1nc(CNC(=O)Nc2cnn(CCC(C)C)c2C)no1	161457866	QOMMBZGMSOYSRS-UHFFFAOYSA-N	306.370	2.251	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)CCc1ccc(OC)c(F)c1	160010459	MKLCVRIAMVPLTI-LLVKDONJSA-N	311.353	2.225	70	20	DEID	
CCC(CC)(CO)CNC(=O)Nc1ccc2c(c1)CCC(=O)N2	160568686	AGOYDMGGSSCABT-UHFFFAOYSA-N	319.405	2.492	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)c1ccc(Cn2ccnc2)cc1	160642010	NNMGTDZWRZNKTG-CYBMUJFWSA-N	315.373	2.003	70	20	DEID	
CC(C)[C@H]1NC(=O)N(Cc2noc(C3CCCCC3)n2)C1=O	160647920	IACVMXBNZOHQNO-GFCCVEGCSA-N	306.366	2.194	70	20	DEID	
CCCCc1nnc(NC(=O)C2(O)CCSCC2)s1	160899939	KFZAZWHECROPQT-UHFFFAOYSA-N	301.437	2.077	70	20	DEID	
O=C(CNCC1CC1)Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1	159422465	ZEMOEHVLNKCMQO-IAGOWNOFSA-N	318.417	2.307	70	20	DEID	
CC[C@@H]1CCC[C@@H]1NC(=O)CCS(=O)(=O)C1CCCC1	159677129	RQQUUAZUURTTNI-OCCSQVGLSA-N	301.452	2.429	70	20	DEID	
CC[C@H](CCO)NC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1	159731993	IGRVQQMCGJWUMU-OAGGEKHMSA-N	306.406	2.367	70	20	DEID	
CC(C)[C@@H]1CCC[C@@H](NC(=O)NC[C@@H]2CCCS2(=O)=O)C1	159736252	XUSCNWPRYWWAJQ-MCIONIFRSA-N	316.467	2.078	70	20	DEID	
CCOC(=O)CCc1ccc(NC(=O)NC[C@@](C)(O)CC)cc1	159573569	FVUOOXXOYVSFIB-KRWDZBQOSA-N	322.405	2.465	70	20	DEID	
O=C(CSCCN1CCOCC1)Nc1cccc(Cl)c1	159970823	RHCAEFFXQVVVSU-UHFFFAOYSA-N	314.838	2.344	70	20	DEID	
O=C(CCl)NC1CCN(Cc2ccc(F)c(F)c2)CC1	144011879	KVSCJBOSJSSVQW-UHFFFAOYSA-N	302.752	2.284	70	20	DEID	
CC[C@H]1C[C@H](C(=O)Nc2cccc(S(=O)(=O)F)c2)CCO1	460087595	AXZSMCCFFFFVPG-PWSUYJOCSA-N	315.366	2.489	70	20	DEID	
O=C(c1ccc(S(=O)(=O)F)cc1)N1C[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1	864241795	LFKTVVBJUKNDIP-JURCDPSOSA-N	323.389	2.463	70	20	DEID	
CC1(C)C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCS1	1121161385	RPNRDLAXDRQXOB-QMMMGPOBSA-N	320.411	2.077	70	20	DEID	
CCN(C[C@@H](C)OC)C(=O)c1ccc(S(=O)(=O)F)cc1C	1337584750	RXMPXNNYPDBQRF-LLVKDONJSA-N	317.382	2.150	70	20	DEID	
CCN(CCOc1cccc(C(=O)OC)c1)Cc1cnn(C)c1	161136637	YGRZGMVKXAFTMP-UHFFFAOYSA-N	317.389	2.108	70	20	DEID	
C[C@H](NC(=O)Nc1cc(F)cc(Cl)c1)[C@@H]1CN(C)CCO1	161212898	YJODOYFCZRGAIE-ZANVPECISA-N	315.776	2.320	70	20	DEID	
CC1(O)CCN(CC(=O)Nc2nc3ccccc3s2)CC1	161213196	PFMXBANUBQKJHP-UHFFFAOYSA-N	305.403	2.082	70	20	DEID	
O=C(NCCOc1ccc(Cl)cc1)NO[C@H]1CCCCO1	161365878	SCHHAOYRHWWBTG-ZDUSSCGKSA-N	314.769	2.476	70	20	DEID	
COCCCOc1ccccc1NC(=O)N1CCC[C@@](C)(O)C1	160002233	RBMNCHBWAFSLJW-QGZVFWFLSA-N	322.405	2.481	70	20	DEID	
Cc1ccc(C(=O)CCN2CC(=O)N[C@@H]3CCCC[C@@H]32)cc1	160158613	QIDXFOABLYWUHQ-CVEARBPZSA-N	300.402	2.311	70	20	DEID	
C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)[C@H]1CCCCO1	160162519	DSEINPYYSAFSJZ-CZUORRHYSA-N	314.389	2.356	70	20	DEID	
COC(=O)[C@@H]1CCCN(C(=O)NCCc2ccc(C)cc2)C1	160179607	MYXZAXBFPANEKY-OAHLLOKOSA-N	304.390	2.132	70	20	DEID	
COc1c(F)cc(NC(=O)[C@@H]2CCn3ccnc3C2)cc1F	160208091	ULNOWHDCYXGESZ-SECBINFHSA-N	307.300	2.371	70	20	DEID	
CC[C@@H](COC)NS(=O)(=O)c1cccc2c1N=S=N2	160283397	LGLHIMAXPNDMJW-QMMMGPOBSA-N	301.393	2.116	70	20	DEID	
CN(C(=O)Cc1n[nH]c2ccccc12)c1ccc2c(c1)OCO2	160312040	ALPALIVLFOVEDL-UHFFFAOYSA-N	309.325	2.497	70	20	DEID	
C[C@H](Oc1cccc(Br)c1)C(=O)N(C)[C@H](C)CO	160554859	HZKWEMAHHZMDOT-ZJUUUORDSA-N	316.195	2.056	70	20	DEID	
CN[C@@H]1CCN(C(=O)c2ccc(OCC(C)C)c(OC)c2)C1	160600408	NHIVAJGILABIAW-CQSZACIVSA-N	306.406	2.164	70	20	DEID	
COc1ccc(S(C)(=O)=O)cc1C(=O)NC1CCCCC1	160620464	WQGMPZDODPYNDB-UHFFFAOYSA-N	311.403	2.161	70	20	DEID	
CC[C@@H](O)CCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1	160630601	NWCSMYRXVYKTFM-SJORKVTESA-N	319.449	2.284	70	20	DEID	
Cc1c(CNC(=O)NCCc2ccccc2Cl)cnn1C	160645951	KDDTVJLFTHLDCV-UHFFFAOYSA-N	306.797	2.424	70	20	DEID	
Cc1cccc(-n2nnnc2SCc2nnc(C)n2C)c1C	160994132	VIZZHJHYEKQKGS-UHFFFAOYSA-N	315.406	2.008	70	20	DEID	
O=C(CN1CC[C@@H]2CCCC[C@@H]21)NCCOc1ccccc1	159630483	INQKPNIXZOGYSS-RDJZCZTQSA-N	302.418	2.446	70	20	DEID	
Cc1cc(C(=O)N2CSC[C@@H]2C(=O)NCC(C)C)oc1C	159633546	ZFXRBQABXVNNMK-GFCCVEGCSA-N	310.419	2.184	70	20	DEID	
CC(C)C(=O)NCCNC(=O)[C@H](C)Cc1ccc(Cl)cc1	159480483	AVNJYLQQHYTFAR-GFCCVEGCSA-N	310.825	2.407	70	20	DEID	
COc1ccc(OCCC(=O)NCC2(N)CCCCC2)cc1	159486143	HIBDAKPGOANZGL-UHFFFAOYSA-N	306.406	2.242	70	20	DEID	
CC(=O)N1CC[C@@H](NC(=O)/C=C/c2cnc(C(C)(C)C)s2)C1	159559332	HYAGVKLOPVFHPG-BTDICHCPSA-N	321.446	2.191	70	20	DEID	
CC[C@@H](Oc1ccccc1F)C(=O)N1C[C@@H]2CCC[C@H](C1)N2	159955805	OZOIFENSBHGBMS-VNHYZAJKSA-N	306.381	2.336	70	20	DEID	
Cc1ccc(C)c(OCCC(=O)NC[C@@H](O)COCC(C)C)c1	159382021	ZODJJQXGUMPLOU-MRXNPFEDSA-N	323.433	2.222	70	20	DEID	
O=C(NCc1cccc(F)c1)c1ccc(S(=O)(=O)F)cc1	864238481	LXFDZNOJIKQPCV-UHFFFAOYSA-N	311.309	2.414	70	20	DEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC[C@@H]2CCC[C@H]21	1338389624	LKNCRACHQVSVKX-JOYOIKCWSA-N	300.355	2.078	70	20	DEID	
O=S(=O)(F)c1ccc(NC[C@@H]2CC[C@@H](C3CC3)O2)nc1	1551201820	CVUSCFLFXCYCJM-JQWIXIFHSA-N	300.355	2.109	70	20	DEID	
CC[C@H](C)c1ccccc1OCC(=O)NCC[C@@H](O)COC	161038604	VZPTWRUAYKQGRP-UONOGXRCSA-N	309.406	2.093	70	20	DEID	
CC(C)N(CCS[C@H]1CCN(c2cnn(C)c2)C1=O)C(C)C	161077807	JKAGQJVBHOYOQX-HNNXBMFYSA-N	324.494	2.377	70	20	DEID	
C[C@@H](NC(=O)Nc1cccc(OCC(=O)N(C)C)c1)C1CCC1	161278525	PLZCKYOMVOFVQH-GFCCVEGCSA-N	319.405	2.464	70	20	DEID	
CN(C)c1c(Cl)cccc1NC(=O)c1cccc(=O)n1C	160001547	PHZACIRQZPBRRJ-UHFFFAOYSA-N	305.765	2.357	70	20	DEID	
CC[C@H](NC(=O)CCCN(C)C(=O)OC)c1c(C)noc1C	160082868	HWTZXNBAWDATGQ-LBPRGKRZSA-N	311.382	2.337	70	20	DEID	
COc1cccc2c1CC[C@H]2NC(=O)CCCC(=O)NC(C)C	160116031	CBLHHCLMQJARNC-OAHLLOKOSA-N	318.417	2.494	70	20	DEID	
O=S(=O)(c1ccccc1)N1CCC[C@H](N2CCCC2)CC1	160165726	ZVSKXOJXYCDKKO-HNNXBMFYSA-N	308.447	2.326	70	20	DEID	
CC(C)(C)S(=O)(=O)CC(=O)Nc1ccccc1-n1cccn1	160220647	WBBQLIYENMGEGX-UHFFFAOYSA-N	321.402	2.024	70	20	DEID	
Cc1noc(C)c1C[C@H](C)NC(=O)[C@H]1NCCc2ccccc21	160224626	SAWKJRBPDADZLF-GTNSWQLSSA-N	313.401	2.226	70	20	DEID	
CC(=O)Nc1cccc([C@@H](C)N[C@H]2CCc3nc(C)nn3C2)c1	160296188	BHJKOZXCIHRDBR-BZNIZROVSA-N	313.405	2.211	70	20	DEID	
CSC[C@@](C)(O)CNC(=O)NC[C@H]1CCc2ccccc21	159601161	KFFNQEQUNAYHNO-CJNGLKHVSA-N	308.447	2.130	70	20	DEID	
CN(C(=O)N[C@@H]1CCCSC1)[C@H]1CCCc2c1cnn2C	159427417	VCXMVGUCHLNIQI-YPMHNXCESA-N	308.451	2.335	70	20	DEID	
CN([C@@H](CN)C1CC1)S(=O)(=O)c1ccc2ccccc2c1	159917125	SSMIJCKPUFPEEN-INIZCTEOSA-N	304.415	2.198	70	20	DEID	
Cc1cccc([C@@H]2CCCN2CC(=O)NC(=O)NC(C)(C)C)n1	159931144	DDSMNXIEQFBEAU-AWEZNQCLSA-N	318.421	2.151	70	20	DEID	
O=C1CC[C@@H]2CN(Cc3nc(Cl)ccc3Cl)CC[C@H]2N1	160167000	BHASNAWNTVCNCG-MWLCHTKSSA-N	314.216	2.489	70	20	DEID	
CC(C)N1C[C@@H](NC(=O)N2c3ccccc3C[C@@H]2C)CC1=O	217288908	IMDVTOKFWRHKLZ-JSGCOSHPSA-N	301.390	2.157	70	20	DEID	
O=C(Cc1ccc(S(=O)(=O)F)cc1)NC[C@H]1CC=CCC1	1354415178	MDCJQEYTXVLAMR-ZDUSSCGKSA-N	311.378	2.360	70	20	DEID	
C[C@H]1C[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC[C@H]1C	1516700832	BFUKSIOWEDJMBV-KXUCPTDWSA-N	302.371	2.227	70	20	DEID	
O=C([C@H]1CCn2ccnc2C1)N1CCC(OC2CCCC2)CC1	161089518	UGQRYVQQKATGFM-AWEZNQCLSA-N	317.433	2.396	70	20	DEID	
CCCn1c(C)nnc1Cn1cnc2sc(CC)cc2c1=O	161243104	IJUHBFFINUUFJR-UHFFFAOYSA-N	317.418	2.379	70	20	DEID	
CC1(O)CCN(C(=O)c2cc(Cl)c3c(c2)OCCO3)CC1	161254821	RSXJZSHQBKEYGN-UHFFFAOYSA-N	311.765	2.098	70	20	DEID	
O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)NC1CCC(O)CC1	160161835	QEBDTNVLMLPJSP-LDZOIKDWSA-N	320.389	2.279	70	20	DEID	
Cc1noc(CCCC(=O)N[C@@H]2CCOC3(CCCC3)C2)n1	160223230	MIMFSZASYIRRFE-CYBMUJFWSA-N	307.394	2.309	70	20	DEID	
CNC(=O)c1cccc(C(=O)N[C@@H]2CCOC3(CCCC3)C2)c1	160260121	CLTZWVNDGNOSBE-OAHLLOKOSA-N	316.401	2.268	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)[C@H](c1ccccc1)N(C)CC	160498488	IHGRXUOFLCDCGQ-BBRMVZONSA-N	306.406	2.137	70	20	DEID	
C[C@H](Sc1ccccc1)C(=O)NC[C@@H](O)CN1CCCCC1	160531171	UAGBGGFNIGEAGM-LSDHHAIUSA-N	322.474	2.130	70	20	DEID	
Cc1cc(N2CCOCC2)ccc1NC(=O)N[C@]1(C)CCOC1	160701617	YSFGLKSHSSHDBY-QGZVFWFLSA-N	319.405	2.132	70	20	DEID	
CCN(CC)C(=O)[C@H](C)ONC(=O)C(C)(C)c1ccccc1	160799211	BIEUUYCAMSFTLH-ZDUSSCGKSA-N	306.406	2.269	70	20	DEID	
CCC[C@H]1C(=O)NCCN1C(=O)Nc1cccc(COCC)c1	160886671	RQUGHCQBJLFEJS-HNNXBMFYSA-N	319.405	2.356	70	20	DEID	
Cc1ccc(C)c(-n2ncc(C(=O)NCCCN(C)C)c2C)c1	160973775	CZSDSVLBQUJLFE-UHFFFAOYSA-N	314.433	2.479	70	20	DEID	
C[C@@H](SCCN1CCOCC1)C(=O)N(C)C1CCCCC1	159836892	HPNNPCOHOUSIET-CQSZACIVSA-N	314.495	2.231	70	20	DEID	
C[C@H]1C[C@@H](NC(=O)N2CCSCC2)CN1Cc1ccccc1	159845989	XRYTVXDQYGRAOD-GOEBONIOSA-N	319.474	2.408	70	20	DEID	
CCOC(=O)CCc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1	159650203	ZMUAWUSNLGNTNF-HNNXBMFYSA-N	320.389	2.483	70	20	DEID	
CCCCOCCCNC(=O)N1CCCN(CC(F)F)CC1	159704033	ZBHRDSTUAPDGIN-UHFFFAOYSA-N	321.412	2.176	70	20	DEID	
O=C(NCCc1ccccc1F)c1cccc(-n2ccnn2)c1	159526532	LKOVVTJYULSSJR-UHFFFAOYSA-N	310.332	2.379	70	20	DEID	
Cc1ccc(CNC(=O)c2ccc(C(=O)NC3CC3)cc2)cn1	159948816	BUQDURIHFLPNQU-UHFFFAOYSA-N	309.369	2.212	70	20	DEID	
CCN1CCCN(C(=O)N[C@@H]2CCc3c(OC)cccc32)CC1	159987684	PLGFTUKFNPJXMB-MRXNPFEDSA-N	317.433	2.420	70	20	DEID	
COc1ccc(CNC(=O)c2cccc(OC)c2O)cc1OC	216784463	MAEGQRZINDOSGZ-UHFFFAOYSA-N	317.341	2.348	70	20	DEID	
CC(C)N(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CCCC1	1336405204	CAKMHVNUVMDMBT-UHFFFAOYSA-N	302.371	2.466	70	20	DEID	
CO[C@H]1CCC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)F)cc1	1349519434	TYVHVPJCWQTUSJ-RYUDHWBXSA-N	301.339	2.098	70	20	DEID	
CCN(CC(=O)Nc1c(C)cccc1C)C(=O)C[C@H]1CCCN1	161062148	XZMGOBMYKKFHAB-OAHLLOKOSA-N	317.433	2.233	70	20	DEID	
Cc1ccc(F)c(NC(=O)C(=O)N[C@H](C)C2CCOCC2)c1	161064551	YQMYCLNIWSRING-LLVKDONJSA-N	308.353	2.004	70	20	DEID	
CCNC(=O)CN(CC)C(=O)C[C@@H](C)c1ccc(F)cc1F	160004819	MJOGVAUDHQFABV-LLVKDONJSA-N	312.360	2.443	70	20	DEID	
O=C(NC[C@@H](O)CN1CCCCC1)[C@@H]1CCCc2sccc21	160029145	SNLIXYIGTQDCLE-UKRRQHHQSA-N	322.474	2.131	70	20	DEID	
Cc1[nH]c2ccccc2c1C(=O)NC[C@@H](O)CN1CCCCC1	160051555	GECQOTJBMFTFNX-CQSZACIVSA-N	315.417	2.053	70	20	DEID	
CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCC[C@H]2OC)cn1	160069364	LBEVNEIBQFTBPU-HUUCEWRRSA-N	320.437	2.295	70	20	DEID	
Cc1nc(NC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)sc1C	160385397	QGMVCCITFXNOCN-ZIBATOQPSA-N	309.435	2.231	70	20	DEID	
O=C(N[C@H]1CCO[C@H](C2CC2)C1)N1CCC(n2ccnc2)CC1	160424348	BYXFGCGRUYRJHL-HOCLYGCPSA-N	318.421	2.187	70	20	DEID	
COC(=O)CCCN(C)C(=O)c1cc(F)cc2cccnc12	160437026	QCHSOKXLLWVTPS-UHFFFAOYSA-N	304.321	2.399	70	20	DEID	
CC[C@H](O)CCNC(=O)NC[C@H](c1ccccc1)N1CCCC1	160630700	NWCSMYRXVYKTFM-DLBZAZTESA-N	319.449	2.284	70	20	DEID	
CCC[C@H]1NC(=O)N(Cc2noc(C3CCCCC3)n2)C1=O	160630768	LMSAMCAGWDXXBP-LLVKDONJSA-N	306.366	2.338	70	20	DEID	
C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCc2c(F)cccc2C1	160810830	JWSGUAVGIWYPRY-LLVKDONJSA-N	306.381	2.261	70	20	DEID	
CCSCC[C@H](C)NC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C	160916175	JROSPTLDTIXSSV-RSUWNVLCSA-N	314.495	2.167	70	20	DEID	
CCN1CCc2nc(NC(=O)[C@@H]3CCC(=O)C[C@@H]3C)sc2C1	159601650	MIEBVDFXBXHFCT-CMPLNLGQSA-N	321.446	2.465	70	20	DEID	
COc1ccc(N(C)C(=O)CCNC(=O)c2ccco2)cc1F	159808979	ZQLKGQSYROSVAM-UHFFFAOYSA-N	320.320	2.210	70	20	DEID	
COC[C@H](O)CNC(=O)c1ccccc1Nc1ccccc1	159447022	WIRWGCIBUCSWJF-CQSZACIVSA-N	300.358	2.167	70	20	DEID	
CC(=O)N1CC[C@@H](NC(=O)c2cc(C(F)(F)F)ccc2F)C1	159666410	ICPZPAGASQDOOZ-SNVBAGLBSA-N	318.270	2.195	70	20	DEID	
CC(=O)N1CC[C@@H](NC(=O)CC(C)(C)c2ccc(C)cc2)C1	159686902	MCZYHQMTFCJIJN-MRXNPFEDSA-N	302.418	2.400	70	20	DEID	
CCC1(CNC(=O)N2CCN(Cc3ccncc3)CC2)CCC1	159704548	UDLUSBQMTTWPKY-UHFFFAOYSA-N	316.449	2.489	70	20	DEID	
Cc1ccc(NC(=O)C2CCN(CCOCC3CC3)CC2)nc1	159523849	AHHOIARDJNUEFC-UHFFFAOYSA-N	317.433	2.467	70	20	DEID	
Cn1nc2c(cc1=O)CN(C(=O)C[C@H]1CCCCC1(C)C)CC2	159379241	GZYALMUBWVJSPA-CQSZACIVSA-N	317.433	2.272	70	20	DEID	
O=C(NCCc1cc2ccccc2[nH]1)[C@@H]1CCc2cn[nH]c2C1	159598123	PRRYHSDYKAOIJL-CYBMUJFWSA-N	308.385	2.355	70	20	DEID	
Cn1ccc(C(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)n1	217748407	VLZWAUVMWFYEHV-UHFFFAOYSA-N	315.348	2.294	70	20	DEID	
C[C@@H]1CC[C@@H](CC(=O)Nc2cccc(S(=O)(=O)F)c2)O1	460094508	PZQDWMQJEVOOGL-KOLCDFICSA-N	301.339	2.241	70	20	DEID	
C[C@H]1CCCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1262673723	ZZQDRVFYALEHCF-VHSXEESVSA-N	302.371	2.229	70	20	DEID	
O=C(NCCc1cccnc1)Nc1ccn(CC(F)(F)F)n1	160578786	DTHUHOIVGYFUJM-UHFFFAOYSA-N	313.283	2.205	70	20	DEID	
CC(=O)Nc1ccc(O)c(C(=O)N[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)c1	160618176	QBACLAPWCRXYRL-RYQLBKOJSA-N	322.364	2.419	70	20	DEID	
CC(C)(C)C(=O)N1CCC[C@H](C(=O)Nc2cccc(F)n2)C1	160939170	KTEWIPCEZPBZOK-NSHDSACASA-N	307.369	2.444	70	20	DEID	
CCC1(CC)[C@@H](OC)C[C@H]1NC(=O)NCc1ccnc(OC)c1	159416842	UYEDXEGLKMHYHE-KGLIPLIRSA-N	321.421	2.483	70	20	DEID	
CCn1cc(CC(=O)N(CC(N)=O)CC(C)C)c2ccccc21	159666313	QEIPXTYONASVLU-UHFFFAOYSA-N	315.417	2.174	70	20	DEID	
CC(=O)N1CC[C@H](NC(=O)c2csc(-c3ccc(C)o3)n2)C1	159798975	ZTKORCOUQADAMU-NSHDSACASA-N	319.386	2.062	70	20	DEID	
CC[C@@H](C)[C@H](OC)C(=O)Nc1ccc(S(=O)(=O)F)cc1	460093724	QBGPZURKFAORJZ-SKDRFNHKSA-N	303.355	2.344	70	20	DEID	
CC[C@@H](C#N)N(CC)C(=O)Cc1ccc(S(=O)(=O)F)cc1	1337581195	RMHYQCQNBVRDCD-LBPRGKRZSA-N	312.366	2.038	70	20	DEID	
Cc1occc1CN(C)C(=O)c1csc(S(C)(=O)=O)c1	161098121	FKYAELNLFZGBAF-UHFFFAOYSA-N	313.400	2.325	70	20	DEID	
CCc1cccc(NC(=O)N(CCS(C)(=O)=O)C2CC2)c1	160000209	LLFZGGYVFOZFHH-UHFFFAOYSA-N	310.419	2.290	70	20	DEID	
C[C@@H](CC(=O)NC[C@@H](O)CN1CCCCC1)c1ccccc1F	160213012	SJMGDHMGUWFJHK-LSDHHAIUSA-N	322.424	2.282	70	20	DEID	
C[C@@]1(O)CCCN(C(=O)Nc2ccc(Cn3cccn3)cc2)C1	160353162	LWSSEMWALIZEKM-QGZVFWFLSA-N	314.389	2.310	70	20	DEID	
Cc1cc(C)cc(OCCNC(=O)NCc2cnn(C)c2C)c1	160531106	JSWBTAIZKJVVKQ-UHFFFAOYSA-N	316.405	2.224	70	20	DEID	
CS[C@H](C)CC(=O)NCc1ccc(-n2ccnc2C)nc1	160561456	QKAXLZIIBGFUDJ-LLVKDONJSA-N	304.419	2.334	70	20	DEID	
C[C@H](NCc1ccc(CN2CCOCC2)cc1)[C@H]1CCOC1	160580559	FAKYATNPNOMUJP-YJBOKZPZSA-N	304.434	2.033	70	20	DEID	
C[C@H](SCCN1CCOCC1)C(=O)N(C)c1ccccc1	159927026	KQGKWNRBYGDXCB-AWEZNQCLSA-N	308.447	2.103	70	20	DEID	
CC(C)n1cccc1C(=O)Nc1ccc(S(C)(=O)=O)nc1	159587353	BHPKYHCEPRSINF-UHFFFAOYSA-N	307.375	2.120	70	20	DEID	
Cc1nc(CN2CCN(C(=O)CCc3ccco3)CC2)oc1C	216879134	GHCVZYGRDNUANB-UHFFFAOYSA-N	317.389	2.161	70	20	DEID	
CC(C)CNC(=O)c1cc(I)ccc1O	217517110	UEKGFGDIGPFBEX-UHFFFAOYSA-N	319.142	2.383	70	20	DEID	
C#C[C@H](NC(=O)Cc1ccc(S(=O)(=O)F)cc1)C(C)(C)C	1339074254	ZRQUISUGHUKEAR-ZDUSSCGKSA-N	311.378	2.051	70	20	DEID	
COC(=O)C(C)(C)c1ccc(NC(=O)C[C@@H]2CCCN2)cc1	161043707	HBSHJRUWHAUDKK-AWEZNQCLSA-N	304.390	2.218	70	20	DEID	
CCOc1ccc(C(=O)N[C@H]2CCC[C@H](N)C2)cc1OCC	161401961	XZHBBBUHWUXCCY-KBPBESRZSA-N	306.406	2.484	70	20	DEID	
Cn1nncc1CN(CC(=O)Nc1ccc(F)cc1)C(C)(C)C	161472062	RFSWUVHIKTXXQW-UHFFFAOYSA-N	319.384	2.193	70	20	DEID	
O=C(NCC1(C2CC2)CC1)N[C@H]1CCN(c2ncccc2F)C1	160151247	OMPJQCFUXVLBLT-ZDUSSCGKSA-N	318.396	2.289	70	20	DEID	
CC[C@H]1CN(C(=O)Nc2ccc(O[C@H]3CCOC3)cc2)CCO1	160200373	RNFCNWWZAHMWDC-HOCLYGCPSA-N	320.389	2.497	70	20	DEID	
CC(C)C1CCC(NC(=O)NCCCN2CCOCC2)CC1	160643253	OTXLTGIHLDWMNA-UHFFFAOYSA-N	311.470	2.223	70	20	DEID	
CC[C@H](C(=O)NCc1ccc(C(N)=O)o1)c1ccc(F)cc1	160723418	BUHCMXXTRJPBIW-ZDUSSCGKSA-N	304.321	2.328	70	20	DEID	
CNC(=O)c1ccc(CSCCCCS(C)(=O)=O)cc1	160951384	TWJARKIHEOIVAE-UHFFFAOYSA-N	315.460	2.104	70	20	DEID	
COc1cc(CN2CC[C@H](NC(=O)C(C)(C)F)C2)cc(OC)c1	159438286	UXKUUFZMAYWZQC-ZDUSSCGKSA-N	324.396	2.142	70	20	DEID	
CCc1c(C(=O)Nc2c[nH]c(=O)c(C)c2)[nH]c(C)c1C(C)=O	159447930	ZXOJNCLOYZIIBB-UHFFFAOYSA-N	301.346	2.337	70	20	DEID	
COc1ccccc1OCCC(=O)NC[C@@H](O)c1ccsc1	159648115	XVEBMGYPZSOARW-CYBMUJFWSA-N	321.398	2.375	70	20	DEID	
CC(C)CCC[C@H](C)NC(=O)CSCCN1CCOCC1	159875809	HQDYFFGRGIKPHV-HNNXBMFYSA-N	316.511	2.383	70	20	DEID	
C[C@H](CC(=O)Nc1cnn(CC(F)(F)F)c1)[C@H]1CCCNC1	159697916	DFRJFTKQMFHPHK-MNOVXSKESA-N	318.343	2.410	70	20	DEID	
COC1(CNC(=O)c2ccc(F)c(F)c2F)CCOCC1	159386928	VDPVTDARSKWYSG-UHFFFAOYSA-N	303.280	2.029	70	20	DEID	
C#CCC(C)(C)C(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	857674927	VMNGFBYLHMCOLM-UHFFFAOYSA-N	301.314	2.472	70	20	DEID	
O=S(=O)(F)CCn1c(-c2cscn2)nc2ccccc21	883953169	KCBJCBJDZBLKBS-UHFFFAOYSA-N	311.363	2.459	70	20	DEID	
Cc1ccc2c(c1)CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)CC2	1340631377	YKSNWMIALOZELH-UHFFFAOYSA-N	322.361	2.180	70	20	DEID	
O=C(Nc1c(F)cccc1F)c1cc(S(=O)(=O)F)c[nH]1	1354031161	BPJFSIFPKPSMOY-UHFFFAOYSA-N	304.249	2.203	70	20	DEID	
CCC[C@H](C)[C@@H](CC)NCc1ccc(C(=O)NCC(N)=O)cc1	161001414	YZJODEWTJZBZJU-XJKSGUPXSA-N	319.449	2.206	70	20	DEID	
COCc1cc(C(=O)N[C@H](C)CC(=O)c2ccc(F)cc2)no1	161222803	CGXFAGCYWJCYIZ-SNVBAGLBSA-N	320.320	2.351	70	20	DEID	
CC[C@@H](NC(=O)CNC(=O)CCC(C)C)c1c(C)noc1C	160201273	FGDDYZNNBSMZDC-CYBMUJFWSA-N	309.410	2.411	70	20	DEID	
CNC(=O)CCCN(C)C(=O)Nc1cccc2cccnc12	160265720	JPOZVSBXOAIPOW-UHFFFAOYSA-N	300.362	2.225	70	20	DEID	
CO[C@@H]1CCC[C@H]1NC(=O)NCc1ccc(OC(C)C)nc1	160423566	BYDKDHATGVPWAC-ZIAGYGMSSA-N	307.394	2.236	70	20	DEID	
Cc1ccc(CN(C)[C@@H]2CCCN(c3cnn(C)c3)C2=O)s1	160436568	GYGKDPCYVFRUGU-OAHLLOKOSA-N	318.446	2.417	70	20	DEID	
COC(=O)C[C@H](C)C(=O)/N=c1/ccccn1Cc1ccccc1	160465839	SMHPYMXHBZPIAQ-DNQHLSNTSA-N	312.369	2.163	70	20	DEID	
Cc1cc(F)c(S(=O)(=O)Nc2[nH]nc(C)c2C)cc1F	160474284	DHJYJNLYKQIGMP-UHFFFAOYSA-N	301.318	2.414	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)CCCOc1ccccc1F	160599198	SDGUPQQDJZJTGQ-GFCCVEGCSA-N	311.353	2.443	70	20	DEID	
CCO[C@H]1C[C@@H](N(C)C(=O)NC2CCN(CC)CC2)C12CCC2	160752632	RCCSWWVHLYRUIL-CVEARBPZSA-N	323.481	2.460	70	20	DEID	
C[C@@H](CC(=O)c1cccs1)NC(=O)CCCNC(=O)C1CC1	160978406	NPGDAPJYXPZSPS-NSHDSACASA-N	322.430	2.132	70	20	DEID	
COC[C@H](NC(=O)Nc1ccccc1O[C@@H]1CCOC1)C1CC1	160993334	SJOWCUOEPCMDTH-HIFRSBDPSA-N	320.389	2.401	70	20	DEID	
COC(=O)CN(CCC(=O)c1ccc(C)cc1)C1CCOCC1	159918173	KCZBZCVLJXEWAF-UHFFFAOYSA-N	319.401	2.222	70	20	DEID	
COc1ccc(N(C)C(=O)[C@@H](NC(C)=O)C2CCCC2)cc1F	159745118	OMGWILWKCWWOOG-INIZCTEOSA-N	322.380	2.492	70	20	DEID	
O=C(Nc1cnc(C2CC2)nc1)N[C@@H](CO)Cc1ccccc1	159586982	UKYCSAAYEYGQBM-CQSZACIVSA-N	312.373	2.079	70	20	DEID	
CC(C)CCN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CC1	1515238098	ZHEBAAJUASJRRU-UHFFFAOYSA-N	302.371	2.324	70	20	DEID	
C[C@H](CC(=O)c1cccs1)NC(=O)c1cc(C(N)=O)cs1	161028864	IEYUVNNAGLCNAY-MRVPVSSYSA-N	322.411	2.300	70	20	DEID	
CCn1c(SCC(=O)NC[C@@H](C)CCO)nc2ccccc21	161062539	HLDAEHHBDIVCFE-LBPRGKRZSA-N	321.446	2.283	70	20	DEID	
CCOCCC1(CNC(=O)[C@@H]2CCc3cn[nH]c3C2)CCC1	161126707	LSMTXRFSKXRSCQ-CYBMUJFWSA-N	305.422	2.228	70	20	DEID	
COC(=O)c1ccc(C(=O)N[C@H]2CCOC3(CCCC3)C2)nc1	161370347	OVVKOMKZMAVDEZ-ZDUSSCGKSA-N	318.373	2.090	70	20	DEID	
NC(=O)N1CC[C@H](NC(=O)C2(c3cccs3)CCCCC2)C1	160017258	DJVOONICXRKAJO-LBPRGKRZSA-N	321.446	2.219	70	20	DEID	
Cc1ccc(F)c(OCC(=O)N2CCC(C3OCCO3)CC2)c1	160112537	DJXBRTCWBHSMMV-UHFFFAOYSA-N	323.364	2.124	70	20	DEID	
C[C@@H](CC(=O)NC[C@@H](O)CN1CCCCC1)c1cccc(F)c1	160514773	ZZEMEFVSUJMEMB-WMLDXEAASA-N	322.424	2.282	70	20	DEID	
CCc1ccc(/C=C/C(=O)NC(C)(C)CCS(C)(=O)=O)o1	160563629	TUWKIGLZRWBBOU-CMDGGOBGSA-N	313.419	2.185	70	20	DEID	
CCCC(=O)NC[C@H]1CCCN(CCCN2CCCCC2)C1	160827256	ZIGCGSZJCMSJAD-QGZVFWFLSA-N	309.498	2.491	70	20	DEID	
CC(=O)N1CCC[C@H](C(=O)N[C@@H]2CCOC3(CCCCC3)C2)C1	160888996	KKTPJUCYKZEQFI-JKSUJKDBSA-N	322.449	2.243	70	20	DEID	
CN(Cc1cccc(N(C)C)c1)Cc1nnnn1-c1ccccc1	159830771	DQOXSEGKAWERIR-UHFFFAOYSA-N	322.416	2.360	70	20	DEID	
Cc1nccc(NC(=O)N(C)CCN2CCCC2=O)c1Cl	159858736	MTEANPSIBHIVDI-UHFFFAOYSA-N	310.785	2.130	70	20	DEID	
CC(C)[C@@H](O)CCNC(=O)COc1ccc2c(c1)CCCC2	159474747	DBTIWYOTHYTGBC-KRWDZBQOSA-N	305.418	2.467	70	20	DEID	
CCS(=O)(=O)c1ccc([C@@H](C)N[C@@H]2CCCC[C@@H]2O)cc1	159513185	FLDJLUXUHNNYNZ-WQVCFCJDSA-N	311.447	2.434	70	20	DEID	
COc1ccc(N(C)C(=O)CS(=O)(=O)C(C)C)cc1Cl	159934605	UWRAJHQKDJNPKV-UHFFFAOYSA-N	319.810	2.135	70	20	DEID	
O=C(N[C@@H](C[C@@H]1CCOC1)c1ccccc1)c1cnsn1	159555343	FPQCMTNSBNERMX-AAEUAGOBSA-N	303.387	2.436	70	20	DEID	
C[C@H]1CCN(C)c2ccccc2N1C(=O)C[C@H]1COC(=O)C1	159370832	JQYDQXYOPVVFNF-QWHCGFSZSA-N	302.374	2.201	70	20	DEID	
Cc1noc(C)c1CCS(=O)(=O)c1nc2ccccc2[nH]1	159992590	IEAHMRVVPCYJKQ-UHFFFAOYSA-N	305.359	2.184	70	20	DEID	
CN1CCC[C@@H](CNC[C@@H](O)COc2ccccc2Cl)C1	217574980	FSXGEKJCPLYFKY-UONOGXRCSA-N	312.841	2.011	70	20	DEID	
O=C(Nc1cc2n(n1)CCCC2)c1ccc(S(=O)(=O)F)cc1	864242251	ZJJAFGCCLDZPEP-UHFFFAOYSA-N	323.349	2.130	70	20	DEID	
COC1(C(=O)Nc2ccc(F)c(CS(=O)(=O)F)c2)CCC1	876319092	OWNDGYZRAVFNCL-UHFFFAOYSA-N	319.329	2.133	70	20	DEID	
COc1cc(C(=O)Nc2cccc(S(=O)(=O)F)c2)ccn1	1118847674	AECIYNSKBDGTNI-UHFFFAOYSA-N	310.306	2.001	70	20	DEID	
C[C@H](CCO)CNC(=O)c1cccc(OCc2cccnc2)c1	161072548	AADLXKBJIZYMNJ-CQSZACIVSA-N	314.385	2.409	70	20	DEID	
CC(C)[C@H](CC1CCCCC1)C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1	161140692	ZWRAEUBICZKUGC-HRCADAONSA-N	324.465	2.378	70	20	DEID	
COCCC1(CNC(=O)N[C@@H](CCO)C2CCCCC2)CC1	161174025	UUVZSBZXPGKTRT-HNNXBMFYSA-N	312.454	2.434	70	20	DEID	
O=C1C[C@@H](CC(=O)N2CCC(C(=O)c3ccccc3)CC2)CO1	161319453	OOPPZZWJZYPQAN-CYBMUJFWSA-N	315.369	2.061	70	20	DEID	
CN(C[C@H]1CCC[C@@H]1O)C(=O)N[C@@H](CCCO)c1ccccc1	161474516	AUTFRDXKBWYLPZ-IKGGRYGDSA-N	320.433	2.303	70	20	DEID	
O=C(NCCc1cccc(F)c1)c1cccc(-n2ccnn2)c1	160236243	LHWZHHAEBZKBGI-UHFFFAOYSA-N	310.332	2.379	70	20	DEID	
CCCCC(=O)N1CSC[C@@H]1C(=O)N(C)Cc1cccn1C	160484689	BZNPJQOBUCUCCJ-CQSZACIVSA-N	323.462	2.075	70	20	DEID	
CC1CCN(C2CCC(NS(=O)(=O)C3CC3)CC2)CC1	160974627	FSXQEAZPZVGQQW-UHFFFAOYSA-N	300.468	2.111	70	20	DEID	
COCc1cc(C(=O)NCCOc2ccccc2Cl)no1	159422707	MEVXEGPNDBEGDM-UHFFFAOYSA-N	310.737	2.283	70	20	DEID	
C[C@H](O)C[C@@H](CNC(=O)[C@@H]1CC12CCOCC2)c1ccccc1	159539362	QVMSCNOBDWTULG-XIRDDKMYSA-N	317.429	2.474	70	20	DEID	
CCC(C)(C)CNC(=O)Cc1ccc(S(=O)(=O)F)cc1	1338117551	BSQBMMBXLZNTTP-UHFFFAOYSA-N	301.383	2.440	70	20	DEID	
CC[C@@H](C#N)N(C)C(=O)c1cc(S(=O)(=O)F)ccc1Cl	1518306499	IFGNZSAZMSEPHE-QMMMGPOBSA-N	318.757	2.372	70	20	DEID	
CC[C@@H]1CCC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1516690357	STTBTILTMVSUTM-ZJUUUORDSA-N	302.371	2.372	70	20	DEID	
CCOCCC1(CNC(=O)c2ccnc(C(=O)OC)c2)CCC1	161036154	JJAFSWKGPVOWDC-UHFFFAOYSA-N	320.389	2.195	70	20	DEID	
Cc1nn(-c2ccccc2)c(C)c1C(=O)NC[C@H](C)CCO	161037938	UBKPLNRBNWBJEC-GFCCVEGCSA-N	301.390	2.237	70	20	DEID	
CC[C@@H](CC(=O)NCC[C@H](O)COC)c1ccc(OC)cc1	161115157	GYXOBSDRWSELAI-ZFWWWQNUSA-N	309.406	2.093	70	20	DEID	
CC(C)CCS(=O)(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12	161248150	JAOXSIPQHQRHPU-CQSZACIVSA-N	324.446	2.037	70	20	DEID	
Cc1cc(N[C@@H]2CCN(C)C2=O)ccc1OC1CCOCC1	161251236	VKNSLMUFKMXMTF-OAHLLOKOSA-N	304.390	2.195	70	20	DEID	
CC[C@H](NC(=O)NCc1cccc(N(C)C)n1)c1ccncc1	161485016	HVIWLLXRQVTIOJ-HNNXBMFYSA-N	313.405	2.493	70	20	DEID	
CN1C(=O)C[C@@H](C(=O)NCCC2=CCCC2)[C@@H]1c1cccnc1	160199951	PLKMUWQEJNVXHB-WBVHZDCISA-N	313.401	2.218	70	20	DEID	
Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)N[C@@H](C)CCO)C1	160267059	INSJUVBZFMPMLZ-DZGCQCFKSA-N	323.412	2.173	70	20	DEID	
Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(C(N)=S)cc1)CO2	160367540	NVLWRWOJKZNZIJ-CQSZACIVSA-N	312.394	2.493	70	20	DEID	
CC(C)[C@@H](NC(=O)c1cc(N(C)C)ccn1)C(=O)OC(C)(C)C	160488513	FXDGMLYVLJXXGJ-CQSZACIVSA-N	321.421	2.244	70	20	DEID	
CCOC(=O)CCCNC(=O)NC1(c2cccc(OC)c2)CC1	160534870	YEZGFVFFLDNAKH-UHFFFAOYSA-N	320.389	2.327	70	20	DEID	
COC(=O)CN(C(=O)Cc1nc(C)sc1C)C1CCCC1	160576397	DDAOWJVAKJCFME-UHFFFAOYSA-N	310.419	2.247	70	20	DEID	
COCC1CCN(C(=O)Nc2ccn(CC(F)(F)F)n2)CC1	160808268	SZXFLRDEWBSAEC-UHFFFAOYSA-N	320.315	2.336	70	20	DEID	
NC(=O)CC1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)CC1	160873417	GXHXOKZRVMOVJR-CHWSQXEVSA-N	322.355	2.182	70	20	DEID	
C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N(C)C[C@@H]1CCC[C@@H]1O	159698243	PRBGQSCFKVXMGK-QRTARXTBSA-N	322.424	2.265	70	20	DEID	
COc1ccc(C)c2c1N(CC(=O)NC[C@@H]1CCCO1)CCC2	159699254	UOOSHTZHTARUFJ-AWEZNQCLSA-N	318.417	2.051	70	20	DEID	
CC[C@H](N)C(=O)Nc1ccnn1Cc1ccc(Cl)c(F)c1	159513957	UNSZXMKRODPZTG-LBPRGKRZSA-N	310.760	2.400	70	20	DEID	
CCN1CCCN(C(=O)NCCCOc2ccc(F)cc2)CC1	159778944	RRZMGOJQRWSYPE-UHFFFAOYSA-N	323.412	2.332	70	20	DEID	
Cc1ccc(NC(=O)[C@]2(C)CCCOC2)cc1S(=O)(=O)F	857675477	ONUGQZYMTHTNQJ-CQSZACIVSA-N	315.366	2.408	70	20	DEID	
CCc1ccc(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)s1	1120785120	NFXCHWOCXKNUOB-UHFFFAOYSA-N	316.379	2.227	70	20	DEID	
CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1339472252	MBYDTCPDRNDDEW-MWLCHTKSSA-N	302.371	2.372	70	20	DEID	
COc1cccc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)c1C	1337490898	KLRYGPIIATVDEZ-UHFFFAOYSA-N	312.322	2.242	70	20	DEID	
CC(=O)[C@H](C)CCOC(=O)c1cccc(S(=O)(=O)F)c1	1334330072	LENXELURUQUOGU-SECBINFHSA-N	302.323	2.117	70	20	DEID	
C[C@@H]1C[C@@H]1c1ccc(CN2CCN(C(=O)[C@@H]3CCCO3)CC2)o1	161005903	XWMWCXOFZXTWFX-KMFMINBZSA-N	318.417	2.226	70	20	DEID	
CC1(c2ccccc2)CCN(C(=O)c2ccc(C(N)=O)cn2)CC1	161075404	JNIMDJRJFWOCPJ-UHFFFAOYSA-N	323.396	2.374	70	20	DEID	
CCN(C(=O)[C@H](C)SCCN1CCOCC1)c1ccccc1	160009443	GIADQPHLNHKLRQ-HNNXBMFYSA-N	322.474	2.493	70	20	DEID	
CNC(=O)CCCN(C)C(=O)Nc1nc2c(s1)CCCC2	160055278	ZIYOQJPWMMODAM-UHFFFAOYSA-N	310.423	2.012	70	20	DEID	
COCc1nc(C)c(C(=O)N2CCC[C@@H](c3ccn[nH]3)C2)s1	160605349	VMDCNZOWEMCDMW-LLVKDONJSA-N	320.418	2.341	70	20	DEID	
CCCCn1ncc(NC(=O)N[C@@H](C)C(=O)NC(C)(C)C)c1C	159890363	PSMFSMVPOXIOJE-NSHDSACASA-N	323.441	2.416	70	20	DEID	
CC(=O)N1CC[C@@H](NC(=O)c2cc(Cl)cc3cccnc23)C1	159514156	NKLPMABAYSOFQK-CYBMUJFWSA-N	317.776	2.239	70	20	DEID	
CCC(=O)N1CCCN(C(=O)Cc2cccc(CC)c2)CC1	159922064	LJNOZBBUBFIZQO-UHFFFAOYSA-N	302.418	2.262	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)COc1ccc2c(c1)CCCC2	159563562	NJEVGGBYLONEAJ-CYBMUJFWSA-N	319.401	2.402	70	20	DEID	
COCc1nc2n(n1)C[C@@H](N[C@@H](C)c1ccccc1C)CC2	159793953	WTORTJBYAQAYKS-KBPBESRZSA-N	300.406	2.399	70	20	DEID	
O=C([C@H]1CCCNC1)N1CCc2ccc(Br)cc21	159995134	NWBNGUNFKCDWJP-NSHDSACASA-N	309.207	2.338	70	20	DEID	
CC[C@](C)(C#N)C(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	857673014	QVBSLYJECOAZJG-GFCCVEGCSA-N	302.302	2.362	70	20	DEID	
CCCN(CC)CCNC(=O)NCC(C)(C)[C@@H](O)C(C)C	159413497	HLTLSHPGBQEEDN-AWEZNQCLSA-N	301.475	2.061	70	20	DEID	
CCc1nnc([C@@H](C)N2CCC([C@@H](O)C(F)(F)F)CC2)o1	161211038	LKZURJCEUUMNHW-LDYMZIIASA-N	307.316	2.328	70	20	DEID	
O=C(N[C@@H]1CCN(c2ccccn2)C1)c1cc(Cl)ccc1O	161250390	PAWXSDFLFPFUBH-GFCCVEGCSA-N	317.776	2.449	70	20	DEID	
CCCNC(=O)c1ccc(NC(=O)N[C@]2(C)CCOC2)cc1	161445015	VGMNKCPKIUAZMD-MRXNPFEDSA-N	305.378	2.127	70	20	DEID	
CCOc1cc(CCCNC(=O)[C@H]2CCCCN2)ccc1OC	160062513	YAZUQIJMZFECLO-OAHLLOKOSA-N	320.433	2.285	70	20	DEID	
Cc1cccc(OC[C@@H](C)NC(=O)c2cnc3c(c2)ncn3C)c1	160205559	QTUXDRVTKKVYNL-CYBMUJFWSA-N	324.384	2.474	70	20	DEID	
Cc1nc2n(n1)C[C@@H](N[C@@H]1CCCc3nc(C)sc31)CC2	160504823	KIZXUJOPGICERG-WCQYABFASA-N	303.435	2.333	70	20	DEID	
CC[C@H]1COCCN1C(=O)NC[C@@H]1CCCCN1CC(C)C	160931217	QHSWOFOWHFEDKM-HOTGVXAUSA-N	311.470	2.317	70	20	DEID	
CCNc1nc(C(=O)N2CC[C@H](Oc3ccncc3)C2)cs1	160953396	KJNYWPIBWFOWTE-LBPRGKRZSA-N	318.402	2.263	70	20	DEID	
C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)N(C)C[C@@H](C)O	159470415	HJOGBWVKBBMBJS-ZJUUUORDSA-N	304.312	2.345	70	20	DEID	
CN(C)C(=O)C1(CNC(=O)CCCn2cccc2)CCCC1	159533729	KOHVKOLDKCAQLZ-UHFFFAOYSA-N	305.422	2.033	70	20	DEID	
Cc1ccc(OCCCCNC(=O)c2cccc(=O)n2C)cc1	159969295	ZBPCSCPKLKREJC-UHFFFAOYSA-N	314.385	2.283	70	20	DEID	
Cn1ccc2cccc(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)c21	1340623872	CUNXGPVCEUTJET-UHFFFAOYSA-N	321.333	2.417	70	20	DEID	
C[C@@H](NC(=O)C(=O)Nc1ccc2[nH]ccc2c1)C1CCOCC1	161038962	HABFRGAESSPUAN-LLVKDONJSA-N	315.373	2.038	70	20	DEID	
Cc1cnn(CCC(=O)N[C@H](C)CC(=O)c2ccc(F)cc2)c1	161230790	DLGIUENCKWMHTR-CYBMUJFWSA-N	317.364	2.498	70	20	DEID	
CCS(=O)(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1	160008329	HYJWYFOIFPWSPV-ZBFHGGJFSA-N	310.463	2.321	70	20	DEID	
CCN1CCC[C@@H]1CNC(=O)c1csc([C@@H]2CCCO2)n1	160329948	HELAHSWYFNFKQZ-YPMHNXCESA-N	309.435	2.209	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)Cc1c[nH]c2ccc(F)cc12	160554846	QJAPBDYMAMAXEW-SNVBAGLBSA-N	306.337	2.307	70	20	DEID	
O=C(NCCCNC1CCCCC1)N[C@@H]1CCN(CC2CC2)C1	160613370	AYWNJSBLJUAVSG-QGZVFWFLSA-N	322.497	2.082	70	20	DEID	
COC[C@@H](NC(=O)Nc1ccc(F)c(C(=O)N(C)C)c1)C1CC1	160874066	ICYKTFQIIHHUCM-CQSZACIVSA-N	323.368	2.074	70	20	DEID	
Cc1c(C(=O)NC[C@H](C)CCO)cnn1-c1ccc(F)cc1	160998030	PKUMKGQXLPCZKA-LLVKDONJSA-N	305.353	2.068	70	20	DEID	
CCCCN1CCCC[C@@H]1CNC(=O)N1CCCN(CC)CC1	159836717	QBAXDUSEKOJVPL-QGZVFWFLSA-N	324.513	2.378	70	20	DEID	
C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)CNC[C@@H]1CCCO1	159444570	DHKKSRIWINIDAH-CJNGLKHVSA-N	324.852	2.498	70	20	DEID	
Cc1ccc(NC(=O)C(=O)NCc2cccc(Cl)c2)cn1	159729907	ZHZNLKIKFDSGRK-UHFFFAOYSA-N	303.749	2.298	70	20	DEID	
COC[C@@H](O)CCNC(=O)[C@@H](C)Sc1ccc(Cl)cc1	161122441	UPHWBJVSOBWMEZ-PWSUYJOCSA-N	317.838	2.334	70	20	DEID	
CCC[C@@H](OCC)C(=O)Nc1cccc(S(=O)(=O)F)c1	460087923	BQHICRLGAFWQHR-GFCCVEGCSA-N	303.355	2.489	70	20	DEID	
O=C(Nc1cccc(S(=O)(=O)F)c1)c1ncc(F)cc1F	460098318	ZMWMVTKUEVAOQW-UHFFFAOYSA-N	316.260	2.270	70	20	DEID	
COCCC[C@H](C)C(=O)Nc1cccc(S(=O)(=O)F)c1	460087472	AQFKVQIORGKUDK-JTQLQIEISA-N	303.355	2.346	70	20	DEID	
O=C(c1ccc(S(=O)(=O)F)cc1)N1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1	864241796	LFKTVVBJUKNDIP-NZBPQXDJSA-N	323.389	2.463	70	20	DEID	
C[C@@H]1CC(NC(=O)c2ccc(S(=O)(=O)F)cc2)C[C@@H](C)O1	864241076	JFQMCARKEBFHMI-NXEZZACHSA-N	315.366	2.031	70	20	DEID	
Cc1ccc(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)cc1F	1339019890	VGYAPNWXYUQCDN-UHFFFAOYSA-N	314.313	2.050	70	20	DEID	
CC[C@H](C(=O)N[C@@H]1CCOC2(CCCCC2)C1)N1CCCC1=O	161052172	GYBMHGRRTVAWKJ-HUUCEWRRSA-N	322.449	2.386	70	20	DEID	
CCNCC1CCN(C(=O)c2cc(OC)c(OC)cc2C)CC1	161111831	YNYQBYXGNXUTQS-UHFFFAOYSA-N	320.433	2.474	70	20	DEID	
Cc1ccc(NCC(=O)NCC(=O)NC(C)(C)C)cc1Cl	161164875	IDQXIXHHXDWOBD-UHFFFAOYSA-N	311.813	2.091	70	20	DEID	
Cc1conc1NC(=O)C(=O)NCCc1cc2ccccc2o1	161336558	AUTGYGWHEOUWNB-UHFFFAOYSA-N	313.313	2.027	70	20	DEID	
C[C@H](NC(=O)Nc1ccccc1OCCC(N)=O)C1CCC1	161392416	FDRICODWIRRJRT-NSHDSACASA-N	305.378	2.251	70	20	DEID	
CCS(=O)(=O)c1cccc(CC(=O)Nc2ccnc(C)c2)c1	161458460	UCVHZDVVFUXEAI-UHFFFAOYSA-N	318.398	2.365	70	20	DEID	
CN(CC(=O)N1CCc2ccc(F)cc2C1)[C@@H]1CCSC1	161479506	DKOLPRXQKKMGAT-OAHLLOKOSA-N	308.422	2.148	70	20	DEID	
CC(C)N(CCS(C)(=O)=O)C(=O)Nc1cc(F)cc(F)c1	160452370	PLSLOIZPLLGWJW-UHFFFAOYSA-N	320.361	2.252	70	20	DEID	
O=C(NC[C@@H](O)CN1CCCCC1)c1ccc2ccccc2c1	160462597	LDTPBSAFSUPPAN-GOSISDBHSA-N	312.413	2.416	70	20	DEID	
CCCNC(=O)C1(NC(=O)c2ccnn2C(C)C)CCCCC1	160620207	RSNGVSYHDSVHEM-UHFFFAOYSA-N	320.437	2.423	70	20	DEID	
CC[C@H](C(=O)N1CCC(NC(C)=O)CC1)c1ccc(F)cc1	159555497	RXVFCBKKRVLCBZ-INIZCTEOSA-N	306.381	2.446	70	20	DEID	
CO[C@@H](CNC(=O)CNC(=O)CC1CCCC1)c1ccccc1	159558691	OXGRTFTVSYCFBS-INIZCTEOSA-N	318.417	2.187	70	20	DEID	
CC(C)OC(=O)CCCNC(=O)N[C@H]1COc2ccccc2C1	159558778	QZKFCIFOTALQNE-CQSZACIVSA-N	320.389	2.021	70	20	DEID	
N[C@@H]1CCC[C@@H](NC(=O)Cc2ccccc2Br)C1	160890004	PVSKNNYGTPKNKI-VXGBXAGGSA-N	311.223	2.378	70	20	DEID	
COCCCCC(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	857674201	FINWNMRDQJFKKX-UHFFFAOYSA-N	307.318	2.239	70	20	DEID	
COCCC1(NC(=O)c2ccc(S(=O)(=O)F)cc2)CCC1	864241673	GHTCTUFBYWMUOB-UHFFFAOYSA-N	315.366	2.034	70	20	DEID	
COc1ccc(OCCNC(=O)N[C@@H]2CCOC(C)(C)C2)cc1	161076640	MRLDYMCHULRJIP-CYBMUJFWSA-N	322.405	2.331	70	20	DEID	
CNC(=O)c1cccc(NC(=O)N[C@H]2CCOC(C)(C)C2)c1	161305771	OACZCAGRKKKHQC-ZDUSSCGKSA-N	305.378	2.125	70	20	DEID	
O=C(NC[C@@H](O)c1cc2ccccc2s1)[C@@H]1CCCCN1	160274106	IABKQBWJKPKVGA-QWHCGFSZSA-N	304.415	2.193	70	20	DEID	
CC[C@@H](C)[C@H](O)CNC(=O)c1c(-c2ccncc2)noc1C	160438854	WGFDEARZKIIYCA-ZWNOBZJWSA-N	303.362	2.182	70	20	DEID	
CCc1n[nH]c(=O)c(CNC(=O)N(CC)[C@@H](C)C(C)C)c1CC	160450052	WBBOOAPYQBWKLM-LBPRGKRZSA-N	322.453	2.471	70	20	DEID	
Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NC1(CO)CC1	160463129	VQNUAFSOALKWFG-UHFFFAOYSA-N	310.419	2.296	70	20	DEID	
COc1c(F)cc(NC(=O)C2(O)CCSCC2)cc1F	160651327	NHNLRBICZBJQLV-UHFFFAOYSA-N	303.330	2.170	70	20	DEID	
CN[C@H]1CCN(C(=O)/C=C/c2ccccc2OC(F)(F)F)C1	160704820	QDGUZKRTPKSAQP-SYTKJHMZSA-N	314.307	2.419	70	20	DEID	
CN(Cc1ccncc1)C(=O)N[C@@H]1CCN(C2CCCC2)C1	160849859	PXYPAFHHEMFFNJ-OAHLLOKOSA-N	302.422	2.240	70	20	DEID	
Cc1nc(-c2ncccn2)sc1C(=O)N[C@@H](CO)CC(C)C	160956982	WJXQZBNLKYDYMX-LLVKDONJSA-N	320.418	2.045	70	20	DEID	
CC(C)OC(=O)CS[C@@H]1CCCN(CC(F)(F)F)C1=O	159830577	FAGYBKMKHVCKGR-SECBINFHSA-N	313.341	2.225	70	20	DEID	
C[C@@H]1CCO[C@@H]1C(=O)N1CCN(Cc2ccccc2Cl)CC1	159441104	SXASPMXUQICUNK-CJNGLKHVSA-N	322.836	2.409	70	20	DEID	
CNS(=O)(=O)c1ccc([C@H](C)N[C@H]2CCCSC2)cc1	159648296	MDLCDSVYQOAOSN-AAEUAGOBSA-N	314.476	2.141	70	20	DEID	
CCOC(=O)Cc1csc(NC(=O)CO[C@H](C)CC)n1	159483158	WNZUPMGMODVLSP-SECBINFHSA-N	300.380	2.002	70	20	DEID	
COC(=O)N(C)CCCC(=O)N[C@@H]1CCc2c(OC)cccc21	159889977	MVYAKLNRSVQLHA-CQSZACIVSA-N	320.389	2.277	70	20	DEID	
COc1cc(C(=O)NC[C@@H](O)C(C)C)ccc1OC(F)F	159724315	PAPJPSNOMSCRGC-SNVBAGLBSA-N	303.305	2.043	70	20	DEID	
C[C@H]1CC(NC(=O)NC[C@@H](C)CN2CCCCC2)C[C@H](C)O1	159756433	BZWADMABFDPIAZ-ILXRZTDVSA-N	311.470	2.364	70	20	DEID	
O=C(CNC(=O)c1ccc(F)cc1F)NCC1(C2CC2)CC1	159785046	CMIKLIJLBUQECW-UHFFFAOYSA-N	308.328	2.001	70	20	DEID	
CN(CC(=O)N(C)c1nccs1)Cc1cccc(N(C)C)c1	159789516	GBGONMYCQCALDM-UHFFFAOYSA-N	318.446	2.304	70	20	DEID	
COCCN(CCO)C(=O)Cc1ccc(Cl)cc1Cl	160623151	RAWIHOUJMTXVJH-UHFFFAOYSA-N	306.189	2.003	70	20	DEID	
O=C(O[C@@H]1CCCCC1=O)c1ccc(S(=O)(=O)F)cc1	838087635	GNMRPLNSFHOYNY-GFCCVEGCSA-N	300.307	2.013	70	20	DEID	
Cc1ccc(C)c(NC(=O)C(=O)N[C@H](C)C2CCOCC2)c1	161111432	NUOOWTLIGOMFCT-CYBMUJFWSA-N	304.390	2.173	70	20	DEID	
CC(C)c1ccc(NCC(=O)NCC(=O)NC(C)(C)C)cc1	161176283	VWCYEQXKIPDDDL-UHFFFAOYSA-N	305.422	2.253	70	20	DEID	
CCCC[C@H](C(=O)OC)N1CCC([C@H](O)C(F)(F)F)CC1	161275578	SJSUCCZEVQMHQW-NEPJUHHUSA-N	311.344	2.353	70	20	DEID	
COCc1ccc([C@@H]2CCCN2C(=O)COC[C@H]2CCCO2)o1	161334479	OVTMRYLKIRWPSZ-HIFRSBDPSA-N	323.389	2.285	70	20	DEID	
COc1ccc(NC(=O)[C@H](C)Cc2c(C)nn(C)c2C)cc1N	161400777	JHTNNAPOVPIIFM-SNVBAGLBSA-N	316.405	2.445	70	20	DEID	
CCOc1ccc(C(=O)N[C@H]2CCC[C@@H](N)C2)cc1OCC	161402259	XZHBBBUHWUXCCY-KGLIPLIRSA-N	306.406	2.484	70	20	DEID	
CCC[C@H](C(=O)OCC)N1CCC([C@H](O)C(F)(F)F)CC1	161457520	IKPUKZQIYRDKKR-NEPJUHHUSA-N	311.344	2.353	70	20	DEID	
CCc1c(C(=O)N[C@H]2CCC[C@H](N)C2)cnn1-c1ccccc1	161502162	BRBWSKUBFKGHMR-KBPBESRZSA-N	312.417	2.434	70	20	DEID	
CC(C)(CO)CNC[C@H](O)COc1cc(Cl)ccc1Cl	160162443	BANVVMWYRGSKBL-NSHDSACASA-N	322.232	2.341	70	20	DEID	
CCOCC(=O)N1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1	160226797	HNIUFECYNHASSL-CYBMUJFWSA-N	322.405	2.143	70	20	DEID	
O=C(CCCOc1cccc(F)c1)N1C[C@@H]2CCC[C@H](C1)N2	160655540	LWULZNXHASCPRI-GASCZTMLSA-N	306.381	2.338	70	20	DEID	
COc1ccc(C(=O)CCC(=O)N[C@@H]2CCC[C@@H](N)C2)cc1	160885889	FHTFQZYSENXADD-ZIAGYGMSSA-N	304.390	2.044	70	20	DEID	
CC[C@@H](NS(=O)(=O)[C@H](C)COC)c1ccc(F)cc1F	159627628	AHRQWKSHICLMKL-NOZJJQNGSA-N	307.362	2.370	70	20	DEID	
CCc1cc(C)c(C(=O)N2CSC[C@@H]2C(=O)NCC(C)C)o1	159633825	QAPCKTBAAJSCHY-CYBMUJFWSA-N	324.446	2.438	70	20	DEID	
Cc1ccc(C[C@@H](C)NS(=O)(=O)C[C@@H]2CCCCO2)s1	159644725	UNIZEDJDXDCKEB-YPMHNXCESA-N	317.476	2.476	70	20	DEID	
CCc1noc(CC)c1CNC(=O)N(C)CC1CCOCC1	159873657	ASSGADBOCUUZFY-UHFFFAOYSA-N	309.410	2.367	70	20	DEID	
Cc1nn(C)c(C)c1[C@H](OC(=O)[C@@H]1CCCO1)C(F)(F)F	159876449	AZJPUWNZSMKBDA-ONGXEEELSA-N	306.284	2.363	70	20	DEID	
CC[C@@H](C)c1ccccc1OCC(=O)N[C@H]1CCN(C(C)=O)C1	159702317	YDPBJBLJXBYWQD-HIFRSBDPSA-N	318.417	2.316	70	20	DEID	
CC[C@@H](CCO)NC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1	159731847	IGRVQQMCGJWUMU-XHSDSOJGSA-N	306.406	2.367	70	20	DEID	
Cc1cnccc1CCNC(=O)NC[C@@H](C)CN1CCCCC1	159759166	ZKAMNOZLAYDUOD-OAHLLOKOSA-N	318.465	2.354	70	20	DEID	
O=C(NCC1(C2CC2)CC1)[C@@H]1CC(=O)N(c2ccccc2F)C1	159991643	WGADFVCTZOYOIL-GFCCVEGCSA-N	316.376	2.485	70	20	DEID	
Brc1ccc(N2CCC(n3ccnn3)CC2)nc1	160193260	BFUPQSXPCUNRTJ-UHFFFAOYSA-N	308.183	2.277	70	20	DEID	
CO[C@@](C)(C(=O)Nc1ccc(S(=O)(=O)F)cc1)C1CC1	291670853	IIZULCZRAJFXOM-CYBMUJFWSA-N	301.339	2.098	70	20	DEID	
Cc1ccc(NC(=O)[C@@H]2CCCS2)cc1S(=O)(=O)F	857675610	UVBCBTLZJCEFEY-JTQLQIEISA-N	303.380	2.487	70	20	DEID	
O=C(Cc1ccc(S(=O)(=O)F)cc1)N1CCCC12CCC2	1340811731	JBVACNBWVPATGS-UHFFFAOYSA-N	311.378	2.432	70	20	DEID	
CC(C)CCS(=O)(=O)N[C@H](CO)Cc1c[nH]c2ccccc12	161248061	JAOXSIPQHQRHPU-AWEZNQCLSA-N	324.446	2.037	70	20	DEID	
CCCC[C@@H](COC)NC(=O)c1c(C)[nH]c(C(=O)OC)c1C	161284637	BSQAXEAFDRBQON-LBPRGKRZSA-N	310.394	2.353	70	20	DEID	
C[C@H](C(=O)N(C)C)N(C)CCCc1cc(-c2ccccc2)n[nH]1	161389328	RXHIDUARKCYROX-CQSZACIVSA-N	314.433	2.418	70	20	DEID	
CN(CCc1cccs1)C(=O)C1(N)Cc2ccccc2C1	161395059	RIECQVNJHNWFRS-UHFFFAOYSA-N	300.427	2.245	70	20	DEID	
Cc1cc(C)n2nc(C)c(C(=O)NCCc3cccc(O)c3)c2n1	160253731	QCBAYDFOLCHBHE-UHFFFAOYSA-N	324.384	2.333	70	20	DEID	
CCCN(CCC)CCCNC(=O)c1cnc2c(c1)ncn2C	160364053	CLICDMOGMMROQX-UHFFFAOYSA-N	317.437	2.210	70	20	DEID	
O=C(Cc1cccs1)NC1CCN([C@H]2CCCC[C@@H]2O)CC1	160505105	YGEDENRYMKERPK-HOTGVXAUSA-N	322.474	2.175	70	20	DEID	
Cc1noc(C)c1CNC(=O)NC[C@](C)(O)c1ccc(F)cc1	160573043	UZIDERUVVJDCEK-INIZCTEOSA-N	321.352	2.137	70	20	DEID	
COCCCN(C)CC(=O)c1c[nH]c2ccc(C(=O)OC)cc12	160705694	KUMFZWUNKZOSPW-UHFFFAOYSA-N	318.373	2.106	70	20	DEID	
C[C@@H](CC(=O)c1cccs1)NC(=O)COC[C@@H]1CCCO1	160948222	YBYMCGLDZFXRAI-RYUDHWBXSA-N	311.403	2.021	70	20	DEID	
CC[C@H](O)CCNC(=O)NCc1cccc(CN(CC)CC)c1	160967470	CHZYOUPCGCNKSD-KRWDZBQOSA-N	321.465	2.489	70	20	DEID	
COCCN(CC(C)C)C(=O)c1cccc(-c2ncn[nH]2)c1	159812837	WIBRVYYKKJMJRO-UHFFFAOYSA-N	302.378	2.216	70	20	DEID	
CC(C)(C(=O)NC[C@@H](O)COCC1CC1)c1ccc(F)cc1	159420804	NLZFNAYHVUFNTR-OAHLLOKOSA-N	309.381	2.007	70	20	DEID	
CCNC(=O)c1ccc(NC(=O)N(C)CC2CCOCC2)cc1	159501960	KJOXOHCIKAQBSV-UHFFFAOYSA-N	319.405	2.327	70	20	DEID	
CC(C)CN(CC(N)=O)C(=O)[C@H](C)SCc1ccccc1	159706524	CKOOAUSFQQLEHA-ZDUSSCGKSA-N	308.447	2.278	70	20	DEID	
COC(=O)c1ccc(NC(=O)N2CCC[C@@H]2C[C@@H](C)O)cc1	159983426	XBDBZSNMPKCYTC-BXUZGUMPSA-N	306.362	2.240	70	20	DEID	
CNS(=O)(=O)c1cccc([C@H](C)N[C@@H]2CCCSC2)c1	159597088	BNACSXSNQRFQDJ-WCQYABFASA-N	314.476	2.141	70	20	DEID	
C[C@H](CNC[C@@H](O)COc1ccc(Cl)cc1)N(C)C1CC1	218561091	SUDFFJFQWKECND-IUODEOHRSA-N	312.841	2.152	70	20	DEID	
O=C(NCC1CCSCC1)c1ccc(S(=O)(=O)F)cc1	865207600	MEQOFPNCIMOTQD-UHFFFAOYSA-N	317.407	2.218	70	20	DEID	
O=C(Cc1ccc(S(=O)(=O)F)cc1)N1CCC2(CCC2)C1	1338080847	XIYWSUAKIWSPJT-UHFFFAOYSA-N	311.378	2.290	70	20	DEID	
CN(CC1CCOCC1)C(=O)Nc1cccc([S@@](C)=O)c1	161114783	UEMZTHJSZFWECI-NRFANRHFSA-N	310.419	2.314	70	20	DEID	
CC[C@H](C)[C@H](C)NC(=O)C(=O)Nc1cc(C(=O)OC)cs1	161388062	AOAQKTGAVJBXKS-IUCAKERBSA-N	312.391	2.024	70	20	DEID	
CC1(C)CCCC[C@@H]1CC(=O)N[C@@H](CC(N)=O)C1CCOCC1	160282626	VZYRPUGDFQFLPK-CABCVRRESA-N	324.465	2.380	70	20	DEID	
C[C@@]1(NC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)CCOC1	160306804	XQNIZCYAXDPNSN-QGZVFWFLSA-N	317.389	2.223	70	20	DEID	
COc1ccc(C(=O)C2CCN(CC(OC)OC)CC2)cc1	160408048	KZKUYIFMTFFFCV-UHFFFAOYSA-N	307.390	2.209	70	20	DEID	
CC(C)C[C@@H](CO)NC(=O)CSc1nccn1C(C)(C)C	160772661	UCSFJMAXPIUAEO-LBPRGKRZSA-N	313.467	2.253	70	20	DEID	
CCc1ccc(C(C)(C)CNC(=O)C2(OC)CCNCC2)cc1	160869509	VDKDAQMFEQIGNH-UHFFFAOYSA-N	318.461	2.411	70	20	DEID	
CN(C)Cc1ccnc(NC(=O)C[C@@H]2CSCCS2)c1	160875088	MQENFHXUCMOCTQ-GFCCVEGCSA-N	311.476	2.320	70	20	DEID	
CCCNC(=O)c1cccc(C(=O)Nc2c[nH]c(=O)c(C)c2)c1	159667554	WPNDRMBYRLUEJT-UHFFFAOYSA-N	313.357	2.075	70	20	DEID	
C[C@H](CC(=O)Nc1ccc(F)c(C(N)=O)c1)c1ccncc1	159685593	NPUFQFVUDFDVDN-SNVBAGLBSA-N	301.321	2.452	70	20	DEID	
COCC(C)(C)NC(=O)NCCc1nnc(-c2ccccc2)o1	159890779	WOXRWQRXBWRATH-UHFFFAOYSA-N	318.377	2.003	70	20	DEID	
CCc1ccc(C(=O)CCC(=O)N2CC[C@@]3(CCNC3)C2)cc1	159378607	INRLEABJUGITDM-LJQANCHMSA-N	314.429	2.424	70	20	DEID	
CCOC(=O)CCc1ccc(NC(=O)N2CCOC[C@H]2C)cc1	159565277	PVZAXQZUXQFWMA-CYBMUJFWSA-N	320.389	2.435	70	20	DEID	
CN(C[C@@H]1CCCO1)C(=O)Nc1ccc(C(C)(C)C(N)=O)cc1	159962730	WUHCQIGABYYNHY-AWEZNQCLSA-N	319.405	2.092	70	20	DEID	
COCCN(C)CCN[C@H](C)c1cnn(Cc2ccccc2)c1	159401872	PKLJFYXHVKUBFY-MRXNPFEDSA-N	316.449	2.160	70	20	DEID	
O=S(=O)(F)CCn1c(-c2ccncc2)nc2ccccc21	883954688	WILPXRKJDLJDOU-UHFFFAOYSA-N	305.334	2.398	70	20	DEID	
CN(C[C@H]1CC=CCC1)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1337519555	BMKOQKSACUPEQG-JTQLQIEISA-N	300.355	2.101	70	20	DEID	
O=C(Cc1ccc(S(=O)(=O)F)cc1)Nc1nccn1C1CC1	1349731686	NJOCOVYUFRDGKX-UHFFFAOYSA-N	323.349	2.057	70	20	DEID	
CC(=O)N[C@@H](C(=O)N1CCc2c(F)cccc2C1)C1CCCC1	161068302	HXWLZSAVAXCGQC-QGZVFWFLSA-N	318.392	2.405	70	20	DEID	
Cc1ccc(C)c(NC(=O)C(=O)N[C@@H](C)C2CCOCC2)c1	161111311	NUOOWTLIGOMFCT-ZDUSSCGKSA-N	304.390	2.173	70	20	DEID	
C[C@H]1CCCCN1C(=O)/C=C/C(=O)Nc1ccc2[nH]ncc2c1	161197970	PSAADRXTJIXAHA-GUOLPTJISA-N	312.373	2.459	70	20	DEID	
C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@H]1CCCS1	161398982	WZSQEAPDEDQLJS-NWDGAFQWSA-N	314.451	2.350	70	20	DEID	
CC(C)COc1ccc(C(C)(C)C(=O)NN2CCOCC2)cc1	161447929	JRJXZRIXZVEVCC-UHFFFAOYSA-N	320.433	2.362	70	20	DEID	
CC[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)c1c(C)noc1C	160010700	IWPKZTJOAUQMCL-PWSUYJOCSA-N	309.410	2.410	70	20	DEID	
O=C(NCCCO[C@@H]1CCCc2ccccc21)[C@@H]1CSCN1	160123053	XFLIXZXLFFFPEO-JKSUJKDBSA-N	320.458	2.249	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)c1cccc(NC(=O)C2CC2)c1	160149984	DVIMCIFYAIHHHZ-LLVKDONJSA-N	318.373	2.107	70	20	DEID	
CCC(O)(CC)CNS(=O)(=O)c1ccc(OC)c(C)c1C	160209289	XQVBWQBSAYSJIT-UHFFFAOYSA-N	315.435	2.141	70	20	DEID	
Cc1ccccc1[C@@H]1CN(C(=O)C[C@@H]2CCCN2)[C@H](C)CO1	160411867	BHFVUOIMSVIVEY-VYDXJSESSA-N	302.418	2.426	70	20	DEID	
Cc1c(C(=O)NC[C@@H](C)CO)cnn1-c1cccc(Cl)c1	160512822	IAVQSBFNCWOXTO-SNVBAGLBSA-N	307.781	2.192	70	20	DEID	
COc1ccc([C@H](CCO)NC(=O)NCc2ccncc2)cc1	160539966	HDGMTSHMHONKJP-INIZCTEOSA-N	315.373	2.013	70	20	DEID	
O=C(CCc1ccoc1)NC1CCN([C@@H]2CCCC[C@@H]2O)CC1	160655328	ZTDDBXUGKBHNGG-SJORKVTESA-N	320.433	2.096	70	20	DEID	
CSCCNC(=O)C(=O)Nc1cccnc1-c1ccccc1	160686811	ZVOUEISOMLSOBR-UHFFFAOYSA-N	315.398	2.166	70	20	DEID	
O=C(NCc1cccnc1)NCc1cccnc1OCC(F)F	160688234	XISOTZQZZOTIQS-UHFFFAOYSA-N	322.315	2.120	70	20	DEID	
CC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc(=O)n2C)c1	160800368	UVBAAHJHOHTXFG-UHFFFAOYSA-N	319.748	2.249	70	20	DEID	
O=C(c1csc(-c2ccc(F)cc2)n1)N1CCCNCC1	160833959	FZZCCGJERZTAIA-UHFFFAOYSA-N	305.378	2.385	70	20	DEID	
COc1ccc(CCC(=O)Nc2c[nH]c(=O)c(C)c2)cc1OC	159408751	VFNWFIGVJMVJHH-UHFFFAOYSA-N	316.357	2.272	70	20	DEID	
CSC[C@](C)(O)CNC(=O)NC[C@H]1CCc2ccccc21	159601055	KFFNQEQUNAYHNO-CZUORRHYSA-N	308.447	2.130	70	20	DEID	
Cc1noc(C)c1[C@@H](C)CNC(=O)NC[C@@H]1CCCN(C)C1	159801328	RRMJAIMETUBKJV-FZMZJTMJSA-N	308.426	2.036	70	20	DEID	
CC[C@H]1CCC[C@H]1NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1	159648957	CFSYTUZOEQHNJR-HBNTYKKESA-N	306.328	2.092	70	20	DEID	
COC1(C(=O)N2C[C@@H](c3ccccc3C)C[C@H]2C)CCNCC1	159894433	PFFWSHTVMQZHTD-CVEARBPZSA-N	316.445	2.468	70	20	DEID	
CC[C@H](C)OCC(=O)Nc1ccc(CN2CCOC2=O)cc1	159726357	BTTDOGUOBBVZAI-LBPRGKRZSA-N	306.362	2.392	70	20	DEID	
CCCn1c(C)nnc1CN1CCOc2ccc(OC)cc21	159740042	BTWQSSIUROBAQJ-UHFFFAOYSA-N	302.378	2.404	70	20	DEID	
C[C@@H](C(=O)N(CC(N)=O)Cc1ccccc1)c1cccs1	159944905	QBCXGEUGUHKBQF-GFCCVEGCSA-N	302.399	2.366	70	20	DEID	
NC(=S)c1ccc(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)cc1	159757532	QRSYKXOVWVNJBD-MCIONIFRSA-N	304.415	2.008	70	20	DEID	
COC(=O)c1ccccc1S(=O)(=O)NC1CCC(C)CC1	217709329	ILCRQRKWYSWUAA-UHFFFAOYSA-N	311.403	2.330	70	20	DEID	
Cc1ncccc1CC(=O)Nc1ccc(S(=O)(=O)F)cc1	460096997	VNSVMJGQTOJNIQ-UHFFFAOYSA-N	308.334	2.229	70	20	DEID	
CC(C)C[C@@](C)(C#N)NC(=O)c1ccc(S(=O)(=O)F)cc1	864240530	ZJGHTRZQBYILMJ-AWEZNQCLSA-N	312.366	2.403	70	20	DEID	
C#CCCCNC(=O)c1cc(S(=O)(=O)F)ccc1Cl	1338834044	JYKFMXLFGBICTM-UHFFFAOYSA-N	303.742	2.141	70	20	DEID	
O=C(Cc1ccc(S(=O)(=O)F)cc1)N1CCC[C@@H](CF)C1	1349774964	FXZMJVYUHZYRNP-LBPRGKRZSA-N	317.357	2.095	70	20	DEID	
CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)CO[C@@H](C)CC)C1	161067236	OGIIKELATNBMLR-SOUVJXGZSA-N	312.454	2.345	70	20	DEID	
CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ccn(CCC(C)C)n1	161092916	UMPBXDHOHHKAOV-CHWSQXEVSA-N	323.441	2.354	70	20	DEID	
COCCCNC(=O)C1CCN(C(=O)[C@@H]2CCC[C@H](C)C2)CC1	161366744	WBXVRPRMETUGKM-GOEBONIOSA-N	324.465	2.204	70	20	DEID	
NC(=O)Nc1ccc(NC(=O)c2cccc(-n3ccnn3)c2)cc1	161507241	GPJBGISFGCIAKN-UHFFFAOYSA-N	322.328	2.010	70	20	DEID	
O=C(N[C@H]1CCc2[nH]ncc2C1)N1CCc2cccc(F)c2C1	160078501	MBGVAPVCHCJNCV-ZDUSSCGKSA-N	314.364	2.174	70	20	DEID	
CCOC[C@@H]1CCCN(C(=O)NCCCC(=O)OC(C)C)C1	160225948	FUYDTXCJKCUCRT-CQSZACIVSA-N	314.426	2.176	70	20	DEID	
CN(C)CCN(C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1)C1CCCC1	160442470	ABUXOTDJQOCOBV-NVXWUHKLSA-N	323.481	2.460	70	20	DEID	
COc1ccc(-n2ccc(C(=O)N(C)Cc3cccn3C)n2)cc1	160471109	BMJTWHIFKKNCGD-UHFFFAOYSA-N	324.384	2.492	70	20	DEID	
O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)N(CCO)CC1CC1	160673631	MRXBZBLYBWZHFV-IRXDYDNUSA-N	318.417	2.321	70	20	DEID	
C[C@H]1CCC[C@H](C(=O)Nc2ccc(CS(N)(=O)=O)cc2)C1	159458836	FRUWUAQVPYWTJX-AAEUAGOBSA-N	310.419	2.240	70	20	DEID	
CCN(CC)C(=O)c1ccc(NC(=O)N[C@]2(C)CCOC2)cc1	159664106	DTKZOHCVRHFLFB-QGZVFWFLSA-N	319.405	2.469	70	20	DEID	
C[C@@H](N[C@H](C)c1cccc(F)c1F)C(=O)Nc1ncccn1	159511578	RBZXNYMQMRBXJQ-NXEZZACHSA-N	306.316	2.433	70	20	DEID	
COCCOCC(=O)N[C@H](c1cccc(C)c1)c1ccccn1	159731078	NQICTXSXQZGOEO-GOSISDBHSA-N	314.385	2.259	70	20	DEID	
C[C@H](OC[C@@H]1CCCO1)C(=O)N(C)CCOCc1ccccc1	159370122	RHVNGOKELDGTNS-RDJZCZTQSA-N	321.417	2.246	70	20	DEID	
C[C@H](NCCc1cnn(C)c1)c1ccc2c(c1)OCCCO2	159762472	IQRXYSCZZZHSJH-ZDUSSCGKSA-N	301.390	2.475	70	20	DEID	
CCS(=O)(=O)N(C)C1CCN(C(=O)CCC(C)(C)C)CC1	159580210	ZPRHRGZBFILBJD-UHFFFAOYSA-N	318.483	2.085	70	20	DEID	
COCCN(CC(C)C)C(=O)c1ccc(S(=O)(=O)F)cc1	864238077	CKULPWLLVQTHDO-UHFFFAOYSA-N	317.382	2.089	70	20	DEID	
CCOC(C)(C)CNC(=O)c1ccc(S(=O)(=O)F)cc1C	1338098986	MBJARISAGMREKG-UHFFFAOYSA-N	317.382	2.198	70	20	DEID	
O=C(NC[C@H]1C[C@H]2C=C[C@H]1CC2)c1cc(S(=O)(=O)F)c[nH]1	1517956681	OTQVFGRYAXQYAP-GARJFASQSA-N	312.366	2.005	70	20	DEID	
CCS(=O)(=O)c1cccc(CC(=O)N2[C@@H](C)CC[C@@H]2C)c1	161042729	FMHYLQIVXAHXNY-STQMWFEESA-N	309.431	2.422	70	20	DEID	
O=C(Nc1ccc(-c2ncc[nH]2)cc1)[C@@H]1CCn2ccnc2C1	161066111	UNFGGRXNWGDRJQ-CYBMUJFWSA-N	307.357	2.474	70	20	DEID	
COC[C@H](NC(=O)Nc1cccnc1Br)C1CC1	161174475	RABUSBVVRUMBDQ-JTQLQIEISA-N	314.183	2.391	70	20	DEID	
C[C@H](N)C(=O)Nc1ccccc1CN(C)C(=O)c1cccs1	161211119	IGBAPJXQQREFDR-NSHDSACASA-N	317.414	2.306	70	20	DEID	
CCN(CC)C(=O)CCC(=O)N[C@H]1CCOC2(CCCC2)C1	160270770	CNJQKFLSJKXTAK-AWEZNQCLSA-N	310.438	2.243	70	20	DEID	
CCCCn1ncc(C(=O)N[C@H](CC(C)C)C(=O)OC)c1C	160507893	UVVBHXWXEKDMPK-CQSZACIVSA-N	309.410	2.309	70	20	DEID	
Cc1noc(C)c1CNC(=O)NC[C@@](C)(O)c1ccc(F)cc1	160573210	UZIDERUVVJDCEK-MRXNPFEDSA-N	321.352	2.137	70	20	DEID	
O=C1CC[C@H]2CN(C(=O)Cc3ccccc3Cl)CC[C@@H]2N1	160638675	ORZGRTFOQQWXDG-JSGCOSHPSA-N	306.793	2.010	70	20	DEID	
CCn1ccnc1CN1CCN(CCOc2ccccc2)CC1	160698290	ZUIPDVZNBUTSHW-UHFFFAOYSA-N	314.433	2.100	70	20	DEID	
CC[C@H]1CN(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)C[C@H](C)O1	159802429	MJKOSTKAOFEABM-CABZTGNLSA-N	308.378	2.058	70	20	DEID	
CN(CC(=O)Nc1ccc(-n2ccnc2)cc1)[C@@H]1CCSC1	159654929	PXMGQTPPJFKQGZ-OAHLLOKOSA-N	316.430	2.248	70	20	DEID	
C[C@@H](NC(=O)CCCn1cccc1)c1nnnn1-c1ccccc1	159564429	NDAFPTKCNVUMDW-CQSZACIVSA-N	324.388	2.121	70	20	DEID	
Cn1nccc1CNC(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)F	159584803	DSFDZRJSDDSZFG-OLZOCXBDSA-N	321.327	2.441	70	20	DEID	
C=CCCO[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)F)c1	274495066	OSMRUVUGYIKVJO-JTQLQIEISA-N	301.339	2.265	70	20	DEID	
C[C@@H]1C[C@@H](C)[C@H](C(=O)Nc2ccc(S(=O)(=O)F)c(F)c2)O1	857673232	WMOOWEDWGXFSSD-DNSOKLHBSA-N	319.329	2.236	70	20	DEID	
CO[C@@H]1CCC[C@@H]1C(=O)Nc1cccc(S(=O)(=O)F)c1	1121101841	BZVCYFKJUHKSTF-NWDGAFQWSA-N	301.339	2.098	70	20	DEID	
CCN(C(=O)c1cc(S(=O)(=O)F)ccc1Cl)[C@H](C)C#N	1262802663	GKIUSHGKSAEGND-MRVPVSSYSA-N	318.757	2.372	70	20	DEID	
CCCCN1CCc2ccc(NC(=O)C(=O)NCCC)cc21	161064814	XEEILOAPPZOLRM-UHFFFAOYSA-N	303.406	2.314	70	20	DEID	
CN(CCN1CCOCC1)C(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2	161247923	NPUORUHHRNDMHY-RCDYEMGKSA-N	324.440	2.086	70	20	DEID	
CC(C)(C)n1cc(NC(=O)N[C@H]2c3ccccc3C[C@H]2O)cn1	161286364	KFHRWPFYWMBTCO-CABCVRRESA-N	314.389	2.418	70	20	DEID	
CNC(=O)CCCN(C)C(=O)Nc1ccccc1OC(F)F	160041695	XELBLYVZWNDDGT-UHFFFAOYSA-N	315.320	2.278	70	20	DEID	
CC[C@H](C(=O)Nc1ccn(CCC(N)=O)n1)c1ccc(F)cc1	160110337	SRMCTARPDLNZGG-ZDUSSCGKSA-N	318.352	2.030	70	20	DEID	
O=C(C[C@@H]1COC(=O)C1)NCc1ccc(C(F)(F)F)cc1	160121560	ACGLSMHILAWCJG-JTQLQIEISA-N	301.264	2.275	70	20	DEID	
COC(=O)c1ccc(S(=O)(=O)NCC2(C3CC3)CC2)cc1C	160146600	SHXFHCGBPLKKIP-UHFFFAOYSA-N	323.414	2.250	70	20	DEID	
CCOCCO[C@H]1CCN(C(=O)N[C@H](CC)c2ccncc2)C1	160309451	ZXJYSAAJKFYNKN-JKSUJKDBSA-N	321.421	2.370	70	20	DEID	
CCOC(=O)CCCNC(=O)N[C@H](C)C[C@H](O)c1ccccc1	160534225	KZZBBVUTRDQUEX-HIFRSBDPSA-N	322.405	2.141	70	20	DEID	
COc1ccc([C@@H](CCO)NC(=O)NCc2ccncc2)cc1	160539830	HDGMTSHMHONKJP-MRXNPFEDSA-N	315.373	2.013	70	20	DEID	
CC[C@H]1CCC[C@@H]1NC(=O)CCOc1cccc(C(N)=O)c1	159622235	DKQZVSLDIRYKPN-WFASDCNBSA-N	304.390	2.249	70	20	DEID	
COc1ccc(NC(=O)[C@@H](C)Nc2cc(C)n(C)n2)cc1OC	159630664	WZKUMNWXJBKTLK-LLVKDONJSA-N	318.377	2.185	70	20	DEID	
CC[C@H](C)OCC(=O)N1CCC(C(=O)N2CCC(C)CC2)CC1	159494565	GNAFQEFGONOFHE-HNNXBMFYSA-N	324.465	2.299	70	20	DEID	
CC(C)[C@H](C(=O)N[C@@H]1CCOC2(CCCC2)C1)N1CCCC1=O	159744934	CBCBXZFFZGCPMI-GDBMZVCRSA-N	322.449	2.241	70	20	DEID	
COc1ccc(F)cc1[C@@H](C)NC(=O)C1(O)CCSCC1	159959163	VRHIGRSKIGAXCW-SNVBAGLBSA-N	313.394	2.270	70	20	DEID	
CN(C[C@H]1CC1(C)C)C(=O)Cc1ccc(S(=O)(=O)F)cc1	1338974849	IABPTDFUZLTIJJ-GFCCVEGCSA-N	313.394	2.392	70	20	DEID	
O=C(NCCCc1cccs1)c1cc(S(=O)(=O)F)c[nH]1	1346929109	LQXGVVDFFOFSGI-UHFFFAOYSA-N	316.379	2.097	70	20	DEID	
O=S(=O)(F)c1ccc(NC[C@@]23C[C@H]2COC32CCC2)nc1	1551208196	HGRDDLPREKNUHY-GWCFXTLKSA-N	312.366	2.111	70	20	DEID	
CCNCC1CCN(C(=O)c2cc(F)cc3nccnc23)CC1	161057163	QNHSRQWYLOILCL-UHFFFAOYSA-N	316.380	2.231	70	20	DEID	
CC[C@@H](C)[C@@H](N)C(=O)NCCc1nc(C(F)(F)F)cs1	161205983	DYHJCVCXLDWQRN-GMSGAONNSA-N	309.357	2.194	70	20	DEID	
CCC[C@H](C(=O)Nc1ccc2c(c1)CCN2C(C)=O)N(C)C	161269888	WNBWJWIOZQKZGT-MRXNPFEDSA-N	303.406	2.264	70	20	DEID	
Cc1ccccc1OCCCNC(=O)[C@H]1CCn2ccnc2C1	161434797	VVQWEIRZXXKXQU-HNNXBMFYSA-N	313.401	2.339	70	20	DEID	
Cc1cccc([C@@H](CC(=O)NCC2(C3CC3)CC2)NC(N)=O)c1	160038140	HYXOASNCFRWELW-OAHLLOKOSA-N	315.417	2.401	70	20	DEID	
CC(C)CNC(=O)[C@@H](C)Nc1ccc2oc(N(C)C)nc2c1	160076342	YFKPYFSXQRVYAJ-LLVKDONJSA-N	304.394	2.466	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)c1c[nH]nc1-c1ccccc1F	160452826	MNAGWMLHCCJEDY-JTQLQIEISA-N	319.336	2.287	70	20	DEID	
Cc1cc(=O)c(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)c[nH]1	160537385	DNNWKACPQUKGDM-CYBMUJFWSA-N	304.390	2.295	70	20	DEID	
C[C@@H](c1nc(Cc2ccccc2)no1)N(C)C[C@H](O)C1CC1	160752433	RSVPOGSJUGWNHE-WFASDCNBSA-N	301.390	2.424	70	20	DEID	
C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H](C)CC(=O)c1cccs1	160880848	NGZNGMATCZUJBY-MNOVXSKESA-N	324.446	2.376	70	20	DEID	
CCO[C@H](C)c1nc(CC(=O)N[C@@H](CO)CC(C)C)cs1	160899674	YOEDFGQNYDQNMS-VXGBXAGGSA-N	314.451	2.306	70	20	DEID	
COC(=O)c1ccc(CN(C)C(=O)c2ccc(O)nc2C)cc1	159609627	ZDRSPQPIYRFWPL-UHFFFAOYSA-N	314.341	2.154	70	20	DEID	
C[C@@]1(CNC(=O)Nc2ccnn2C[C@@H]2CCOC2)CCCS1	159807184	ZBDFKYCEOLRENX-WFASDCNBSA-N	324.450	2.327	70	20	DEID	
COc1cc(C)cc(CNC(=O)NCc2c(C)nn(C)c2C)c1	159620505	BAIPPVVTAOYRHT-UHFFFAOYSA-N	316.405	2.353	70	20	DEID	
CC(C)=CC(=O)NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2	159483200	LJRZVFMYDFUCMA-GFCCVEGCSA-N	311.765	2.227	70	20	DEID	
C[C@H](NC(=O)c1cccc2[nH]cnc12)C(=O)Nc1ccccc1	159502097	VNIFLBZXQAPHLP-NSHDSACASA-N	308.341	2.320	70	20	DEID	
O=C(Nc1cccn(CC(F)(F)F)c1=O)[C@@H]1C[C@H]1C1CC1	159506240	ADSCGEOLJKORBP-VHSXEESVSA-N	300.280	2.395	70	20	DEID	
CN(CCc1nccs1)S(=O)(=O)c1cccc(F)c1	159613198	LFFAZCWJAZAWJZ-UHFFFAOYSA-N	300.380	2.145	70	20	DEID	
CC1(C)C[C@@H](NC(=O)c2ccc(S(=O)(=O)F)cc2)CCO1	585125655	AHVJZGYLPHTEJF-NSHDSACASA-N	315.366	2.032	70	20	DEID	
CCC1(C(=O)N[C@H]2CCN(c3ccccc3OC)C2=O)CCC1	161298215	PAEPSMXYHUPQMQ-ZDUSSCGKSA-N	316.401	2.497	70	20	DEID	
CNC(=O)c1ccc(NC(=O)N[C@H]2CCO[C@H](C3CC3)C2)cc1	161395500	MLTVCMPPOHPJMW-GJZGRUSLSA-N	317.389	2.125	70	20	DEID	
O=C([C@H]1CCCCO1)N1CCCN(Cc2ccc(F)cc2)CC1	161403574	MPIHLRPKDZSQLQ-QGZVFWFLSA-N	320.408	2.429	70	20	DEID	
COC(=O)C[C@@H](C)C(=O)NC1CCC(N2CCC(C)CC2)CC1	161488605	SRBKNBAHAFVTCG-QQFBHYJXSA-N	324.465	2.345	70	20	DEID	
Cc1cccc([C@H](O)CNC(=O)NCCCC(=O)OC(C)C)c1	160107645	URNDRDGBJKPVRE-OAHLLOKOSA-N	322.405	2.059	70	20	DEID	
C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCO2)c1cccc(O)c1	160125935	HWMNGHZNHVQAOB-LLVKDONJSA-N	319.382	2.367	70	20	DEID	
COc1ccc(C(=O)N2CCC[C@H]2COc2ccccc2)nn1	160195677	BUVUFWUFYFWIDM-ZDUSSCGKSA-N	313.357	2.169	70	20	DEID	
C[C@H]1CN(C(=O)Nc2ccn(CC(F)(F)F)n2)CC(C)(C)O1	160572077	LEHVQQAYCOLFQT-VIFPVBQESA-N	320.315	2.477	70	20	DEID	
C[C@H](N[C@@H](CN1CCCC1=O)c1ccccc1)[C@H]1CCOC1	160676846	KKILRAPHCLLTBR-XIRDDKMYSA-N	302.418	2.365	70	20	DEID	
CCNC(=O)c1ccc(NC(=O)N2CCC[C@@H]2C[C@H](C)O)cc1	160784815	FFNXJMKONZOFOC-SWLSCSKDSA-N	319.405	2.204	70	20	DEID	
CCCCOc1ncccc1CNC(=O)N1CCC[C@](C)(O)C1	160981550	NZODZJDIYNRADH-KRWDZBQOSA-N	321.421	2.317	70	20	DEID	
CCNc1nc(C(=O)NCCc2ccc3c(c2)OCO3)cs1	159667902	XWEYYCLKFZOCQT-UHFFFAOYSA-N	319.386	2.276	70	20	DEID	
CC(C)(CNC1CCN(c2ccccc2)CC1)S(C)(=O)=O	159891611	UKWBTGVAIMXIEM-UHFFFAOYSA-N	310.463	2.068	70	20	DEID	
O=C1[C@H](Sc2nncn2C2CC2)CCCN1CC(F)(F)F	159529365	QJXWRFTUZNOKNI-SECBINFHSA-N	320.340	2.258	70	20	DEID	
CCOCCO[C@H]1CCN(C(=O)N[C@@H](C)c2cccc(O)c2)C1	159750276	DRKMHICJOAZHRB-BBRMVZONSA-N	322.405	2.290	70	20	DEID	
NC(=O)c1cccc(CN2CCO[C@]3(CCc4ccccc43)C2)c1	159576240	XZMNGOGGYFJHGP-HXUWFJFHSA-N	322.408	2.459	70	20	DEID	
O=C(CNC(=O)OCc1ccccc1)NCC1(C2CC2)CC1	160210015	JBCRDCKBXNUSIT-UHFFFAOYSA-N	302.374	2.219	70	20	DEID	
CCS[C@H]1CCC[C@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1336961249	HNMCCEUKIKCCDV-KOLCDFICSA-N	320.411	2.077	70	20	DEID	
CN(C)c1cccc(NC(=O)c2cccc(S(=O)(=O)F)c2)n1	1348707934	SHDBWQDHNDFZJO-UHFFFAOYSA-N	323.349	2.058	70	20	DEID	
C[C@H]1C[C@H](NCCCc2nnc3n2CCCCC3)[C@H](C)CN1C	161153159	ZAYVJYICNQBGAG-PMPSAXMXSA-N	319.497	2.255	70	20	DEID	
Cn1ccnc1CN1CCN(C(=O)C2CCC(C)(C)CC2)CC1	160068776	JYUWBGWPQCSHRT-UHFFFAOYSA-N	318.465	2.281	70	20	DEID	
O=C(C[C@H]1COC(=O)C1)N[C@H]1CCSc2c(F)cccc21	160098647	KNGJJSGHISRKPJ-SKDRFNHKSA-N	309.362	2.432	70	20	DEID	
Cc1nnc2ccc(NC[C@](C)(O)c3ccccc3Cl)nn12	160197177	HCEUMTAZGUSRPH-HNNXBMFYSA-N	317.780	2.406	70	20	DEID	
CCC(O)(CC)CNS(=O)(=O)c1ccccc1OC(F)F	160208412	XBIFSHQFHOBSCL-UHFFFAOYSA-N	323.361	2.117	70	20	DEID	
C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C1CCC(C)(C)CC1	160375486	BCGUPBPDVVEZFH-RYUDHWBXSA-N	303.468	2.483	70	20	DEID	
C[C@@]1(O)CCCN(C(=O)NCCOc2cccc(Cl)c2)C1	160578272	IWSFQOOKRJKMMV-OAHLLOKOSA-N	312.797	2.275	70	20	DEID	
C[C@H](C(=O)NCc1cccs1)N1CC[C@]2(O)CCCC[C@@H]2C1	160658145	XLEARASHTYJRFM-CKEIUWERSA-N	322.474	2.380	70	20	DEID	
CC(=O)N(Cc1ccc(NC(=O)[C@@H]2CCCNC2)cc1)C1CC1	160953265	RAIDZGAWPWILSD-OAHLLOKOSA-N	315.417	2.136	70	20	DEID	
C[C@H]1Cc2cc(S(=O)(=O)N(C)[C@@H]3CCSC3)ccc2O1	159414858	JWCNINWHEGHOCG-CMPLNLGQSA-N	313.444	2.136	70	20	DEID	
CCOC(=O)N1CCC(NC(=O)N2CC[C@H](C)[C@H](C)C2)CC1	159634877	NEEMQSGAIFQACM-QWHCGFSZSA-N	311.426	2.295	70	20	DEID	
CCC(CC)(CNCC(=O)Nc1cccc(OC)c1)C(=O)OC	159650656	NIJIGCWABOOUSM-UHFFFAOYSA-N	322.405	2.203	70	20	DEID	
O=C(CCC(=O)NC1CCCC1)NCCc1ccccc1F	159527415	WJRLSAJADYXGJL-UHFFFAOYSA-N	306.381	2.323	70	20	DEID	
O=C(NC[C@H](O)c1ccsc1)c1cccnc1N1CCCC1	159533076	OBYPWKKTZFFZFG-AWEZNQCLSA-N	317.414	2.207	70	20	DEID	
Cc1cc(Br)ccc1CNC(=O)[C@H]1CSCN1	159544284	RXVNREGOGOCHDN-LLVKDONJSA-N	315.236	2.036	70	20	DEID	
Cc1cccc(CCNS(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c1	159748379	OLEQSINJVZYLKS-GJZGRUSLSA-N	310.463	2.350	70	20	DEID	
CC(=O)N1CC[C@@H](NC(=O)CCCc2ccc(F)c(F)c2)C1	159758406	LFCZRXCEJPSJBN-CYBMUJFWSA-N	310.344	2.025	70	20	DEID	
CCN(CC)S(=O)(=O)c1cccc2c(C(=O)OC)nccc12	159973880	ITJOBBJCEZYCKF-UHFFFAOYSA-N	322.386	2.052	70	20	DEID	
CC1CCN([C@H](C)CNC(=O)NCc2ncccc2F)CC1	159785322	NURQQZXPRLCJSC-CYBMUJFWSA-N	308.401	2.140	70	20	DEID	
CCO[C@@H]1COC[C@H]1NC(=O)c1csc(-c2cccs2)n1	216821403	JDPQXDSYOIKSBR-MWLCHTKSSA-N	324.427	2.405	70	20	DEID	
O=S(=O)(Cl)c1cccc(S(=O)(=O)c2ccccc2)c1	137709989	UUOUFMBNRPPMLM-UHFFFAOYSA-N	316.787	2.447	70	20	DEID	
COC[C@@H](O)CCNC(=O)c1occc1-c1ccc(F)cc1	161023716	FEGTULNTDKNKRX-ZDUSSCGKSA-N	307.321	2.213	70	20	DEID	
C[C@H](CCO)CNC(=O)c1oc2ccccc2c1CN(C)C	161046344	VIUMDMFMDMCHBR-GFCCVEGCSA-N	304.390	2.243	70	20	DEID	
N[C@@H]1CCC[C@H](NC(=O)CCc2cnn(-c3ccccc3)c2)C1	161122093	QEBZKFXUPRUQFA-CVEARBPZSA-N	312.417	2.191	70	20	DEID	
CCN(CC(=O)N(C1CCCC1)C1CC1)Cc1cnn(C)c1	161127374	WKAHZXXIWUXAEN-UHFFFAOYSA-N	304.438	2.176	70	20	DEID	
CC[C@H](CC1CCCCC1)C(=O)NC[C@H]1CC[C@H](C(N)=O)O1	161237904	NUWFRNJZZNFOSS-RBSFLKMASA-N	310.438	2.132	70	20	DEID	
C[C@@]1(O)CCCN(C(=O)NCCCOc2ccc(F)cc2)C1	161279066	JHUJOOWMMVCVKL-MRXNPFEDSA-N	310.369	2.151	70	20	DEID	
Cc1ccc(S(N)(=O)=O)c(C(=O)N(C)c2ccc(F)cc2)c1	161281922	BELSJOCGWJTERI-UHFFFAOYSA-N	322.361	2.058	70	20	DEID	
CCN(CCS(C)(=O)=O)C(=O)Nc1cc(C)ccc1F	160025790	JAURRKGEHPVJSK-UHFFFAOYSA-N	302.371	2.033	70	20	DEID	
COc1ccc2[nH]cc(CC(=O)N(CCCCO)C3CC3)c2c1	160188930	ZQEPGFNTQDJHNT-UHFFFAOYSA-N	316.401	2.483	70	20	DEID	
CNS(=O)(=O)c1cccc(CNC(=O)[C@H]2CCC[C@@H](C)C2)c1	160342473	GCQONGPUFLOEPD-OCCSQVGLSA-N	324.446	2.037	70	20	DEID	
CCc1ccc(C(C)(C)CNC(=O)CNC[C@H]2CCCO2)cc1	160868308	HNNXYUPVIOYCFX-QGZVFWFLSA-N	318.461	2.411	70	20	DEID	
CCC[C@H](N)C(=O)NCc1nc(-c2cccc(Cl)c2)no1	160937698	MYCAGFSGUMHFHB-NSHDSACASA-N	308.769	2.134	70	20	DEID	
C[C@@H](CCO)CNC(=O)c1ccc(N2CCCCCC2)nc1	160984173	DJAJWNFPWGRLEN-AWEZNQCLSA-N	305.422	2.210	70	20	DEID	
Cc1nc(Cl)ccc1C(=O)N1CC[C@@H](Cc2cnn(C)c2)C1	159833603	SFTOVSPSJYLDNR-LBPRGKRZSA-N	318.808	2.482	70	20	DEID	
C[C@H](CNC(=O)c1cnc2c(c1)ncn2C)Oc1ccccc1	159844021	GGQAKCFYGYZMBZ-GFCCVEGCSA-N	310.357	2.166	70	20	DEID	
COC[C@H](O)CNC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl	159533348	ROSBNEDLMDTSQT-FBIMIBRVSA-N	318.200	2.220	70	20	DEID	
CC(C)CCn1ccc(NC(=O)N2CCC[C@H]2C(=O)N(C)C)n1	159740667	UQBDKZSPWGBRFV-ZDUSSCGKSA-N	321.425	2.014	70	20	DEID	
CCOC(=O)[C@H](CC(C)C)NCc1c(CC)nn(C)c1OC	159775508	HEUMPIJXTCJYLM-AWEZNQCLSA-N	311.426	2.059	70	20	DEID	
COc1ccc(N(C)C(=O)CCCS(C)(=O)=O)cc1Cl	160138983	PDOORFHAHURHTL-UHFFFAOYSA-N	319.810	2.136	70	20	DEID	
Cc1cc(C)c(C(=O)N2CCOC[C@H]2[C@@H]2CCCCC2=O)o1	160388954	ZBLDOKIVIJBVRN-KBPBESRZSA-N	305.374	2.497	70	20	DEID	
Cc1cc(S(=O)(=O)Nc2nncs2)ccc1OC(C)C	160591163	SSFPZFXWBFHECC-UHFFFAOYSA-N	313.404	2.435	70	20	DEID	
CCS(=O)(=O)Nc1ccc(NC(=O)NC2CC=CC2)cc1	160682496	AWDOOGGVMBXLBD-UHFFFAOYSA-N	309.391	2.288	70	20	DEID	
Cc1ccc(C)c([C@H]2CCCN2C(=O)CN2CCN(C)CC2)c1	160709954	UWVXDSOLDSNISK-GOSISDBHSA-N	315.461	2.214	70	20	DEID	
CCO[C@H]1CCCN(C(=O)Nc2ccn(CC(F)(F)F)n2)C1	160786513	IXMUHNWYZLYDNB-JTQLQIEISA-N	320.315	2.478	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)c1ncoc1-c1ccccc1	160878746	UYVJYFFMQQULMO-NSHDSACASA-N	302.330	2.413	70	20	DEID	
CC(C)[C@H](C)NC(=O)CN1CCO[C@]2(CCc3ccccc32)C1	159465292	UBXZIHDWNTXHFE-HNAYVOBHSA-N	316.445	2.321	70	20	DEID	
C[C@@H]1CSc2ccccc2N(C(=O)C(=O)c2cnn(C)c2)C1	159693318	OOASDNUDCUMHHI-NSHDSACASA-N	315.398	2.378	70	20	DEID	
COc1cccc2c1CC[C@H]2NC(=O)[C@H]1CCCN(C(C)=O)C1	159996415	HUDTVDZUFISBJP-XJKSGUPXSA-N	316.401	2.057	70	20	DEID	
C[C@H](O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1CS(=O)(=O)F	882035785	PQNJEOMIACLBBI-YUMQZZPRSA-N	323.367	2.256	70	20	DEID	
CCN(CC(F)F)C(=O)c1ccc(S(=O)(=O)F)cc1C	1338801039	AEUAXIZZCOIZEQ-UHFFFAOYSA-N	309.309	2.380	70	20	DEID	
O=C(NC[C@@H]1CCC[C@H]1C1CC1)c1cc(S(=O)(=O)F)c[nH]1	1354886181	SIXJSNJMHASEEO-JQWIXIFHSA-N	314.382	2.229	70	20	DEID	
Cc1cc(NCCC(=O)NCc2ccccn2)nc(C(C)C)n1	161022031	FOALBZXWMVEQOY-UHFFFAOYSA-N	313.405	2.422	70	20	DEID	
CN(Cc1ccccn1)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	161036567	UNEPROISXUVMER-ZNMIVQPWSA-N	301.390	2.181	70	20	DEID	
CCc1n[nH]c(-c2ccccc2NC(=O)[C@@H](C)CC(=O)OC)n1	161100893	QTHQYIOYKFQGLG-JTQLQIEISA-N	316.361	2.172	70	20	DEID	
Cc1cc(C)c(C(=O)Nc2ccccc2SCC(N)=O)[nH]1	160011201	HNYXCPPQNYCGMO-UHFFFAOYSA-N	303.387	2.461	70	20	DEID	
CCC[C@H](N)C(=O)NCCc1nc(-c2cccc(Cl)c2)no1	160174517	OQIFZTNOTDFHPO-LBPRGKRZSA-N	322.796	2.176	70	20	DEID	
CCc1cnc(CN(C)C(=O)c2cccc3[nH]c(=O)oc23)s1	160255072	JSMQFIYACHCOJX-UHFFFAOYSA-N	317.370	2.412	70	20	DEID	
CSC[C@](C)(O)CNC(=O)N[C@@H]1CCC[C@H](SC)C1	160277547	BOGTUCMSZJXAQX-NTZNESFSSA-N	306.497	2.074	70	20	DEID	
COc1ccc(C[C@H](C)CNC(=O)NCc2cnn(C)c2)cc1	160525933	QDOMFPAKMPEBEY-ZDUSSCGKSA-N	316.405	2.107	70	20	DEID	
CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2cccc(F)n2)C1	160619024	OTZFZFVKFJMRLR-VXGBXAGGSA-N	307.369	2.444	70	20	DEID	
Cc1nc(CCNC(=O)NCCCOCC2CC2)sc1C	160808625	JWPBZZWGDPRWHE-UHFFFAOYSA-N	311.451	2.418	70	20	DEID	
CC[C@@H](C(=O)NCCCSCC(C)C)N1CCCC1=O	160813578	FHWZSNUITWSSCZ-ZDUSSCGKSA-N	300.468	2.283	70	20	DEID	
CCCCc1noc(CSCCCCS(C)(=O)=O)n1	160926632	JZVWIRYYOSICMD-UHFFFAOYSA-N	306.453	2.470	70	20	DEID	
CC[C@H]1CCCC[C@H]1N(C)C(=O)c1nc2nccc(C)n2n1	160957272	VDCHZUDMWHAMGQ-QWHCGFSZSA-N	301.394	2.474	70	20	DEID	
C[C@H](Sc1nncn1C)C(=O)N1CCc2c(F)cccc2C1	160970110	XKOMXSWLCDGTKW-JTQLQIEISA-N	320.393	2.020	70	20	DEID	
C[C@@H]1CCCC[C@H]1OCCSc1nnc(Cn2cncn2)o1	160977757	RSTQLVVDZBDOKI-VXGBXAGGSA-N	323.422	2.397	70	20	DEID	
COCCCOc1cccc(C(=O)Nc2c[nH]c(=O)c(C)c2)c1	159815461	SPYDPPBNFSNKJC-UHFFFAOYSA-N	316.357	2.351	70	20	DEID	
O=C(NC[C@@H]1CSCCS1)N[C@H]1CCO[C@@H](C2CC2)C1	159828448	WACKRPSZROYXTP-YNEHKIRRSA-N	316.492	2.092	70	20	DEID	
c1ccc(-n2ncc3c(N4CCOC[C@H]4C4CC4)ncnc32)cc1	159658602	LEGYYVNQKYDICH-INIZCTEOSA-N	321.384	2.431	70	20	DEID	
CC[C@@H](C)OCC(=O)Nc1ccc(CN2CCOC2=O)cc1	159726214	BTTDOGUOBBVZAI-GFCCVEGCSA-N	306.362	2.392	70	20	DEID	
CN1CC[C@H](Sc2nnc(-c3cccc(Cl)c3)n2C)C1=O	159740111	FPLCGXPFSLECOR-NSHDSACASA-N	322.821	2.458	70	20	DEID	
CC(C)OC(=O)CCCNC(=O)NC[C@H]1Cc2ccccc21	159574043	YSBAQIHGGRBOOL-CQSZACIVSA-N	304.390	2.357	70	20	DEID	
COC1(C(=O)Nc2ccc(S(=O)(=O)F)cc2)CCCC1	460097666	XHXZCQDMKIDBCD-UHFFFAOYSA-N	301.339	2.243	70	20	DEID	
O=C(Nc1ccn2ccnc2c1)c1cccc(S(=O)(=O)F)c1	1337487338	TUNUWVHMQDGQEU-UHFFFAOYSA-N	319.317	2.245	70	20	DEID	
CN(C[C@H]1CCC[C@H]1O)C(=O)NC[C@@H]1CCOc2ccccc21	161016568	ZNEPAQHXXTWDMJ-SQWLQELKSA-N	318.417	2.355	70	20	DEID	
O=S(=O)(C[C@@H]1CCCCO1)Nc1cccc(OCCF)c1	161190658	SUOQVUYDXPLWCS-AWEZNQCLSA-N	317.382	2.346	70	20	DEID	
COc1ccc(S(=O)(=O)N(CCCO)CC(C)(C)C)cc1	161345538	QJPSVFHINBVNJL-UHFFFAOYSA-N	315.435	2.114	70	20	DEID	
COc1ccc(NC(=O)[C@H](NC(=O)CC(C)C)C(C)C)cc1N	161372683	HONJSFHOIRFGSC-MRXNPFEDSA-N	321.421	2.403	70	20	DEID	
CCc1ccccc1NC(=O)N(CCS(C)(=O)=O)C1CC1	160106651	KKOPMHRBIFEXGS-UHFFFAOYSA-N	310.419	2.290	70	20	DEID	
CC[C@@H](COC)NC(=O)Nc1ccc(O[C@H]2CCOC2)cc1	160170214	VDSFCRDEGCCFLR-WFASDCNBSA-N	308.378	2.401	70	20	DEID	
Cc1[nH]ncc1CCCNC(=O)c1ccc(OCC(F)F)nc1	160185863	ANISWZXPQSRAPO-UHFFFAOYSA-N	324.331	2.120	70	20	DEID	
CCOc1ccc(CNC(=O)N2CCC[C@](C)(O)C2)cc1OC	160228301	NTCJSRUPGCQLSL-KRWDZBQOSA-N	322.405	2.150	70	20	DEID	
CNC(=O)c1cccc(C(=O)N[C@H]2CCOC3(CCCC3)C2)c1	160260260	CLTZWVNDGNOSBE-HNNXBMFYSA-N	316.401	2.268	70	20	DEID	
COc1cccc2c1CC[C@@H]2NC(=O)N[C@@H](C)Cn1ccnc1	160281011	ZCWFZXCARDZBDO-WFASDCNBSA-N	314.389	2.267	70	20	DEID	
Cc1cc(NC(=O)CN(C)C(=O)c2ccc(C(C)C)nc2)no1	160324369	NFQVTZGGKDTARJ-UHFFFAOYSA-N	316.361	2.212	70	20	DEID	
C[C@H](CNC(=O)c1cnc(C(F)(F)F)nc1)c1nccs1	160522622	XHBHRMQAQUSILB-SSDOTTSWSA-N	316.308	2.485	70	20	DEID	
CC[C@H](NC(=O)Cc1c(C)nn(C)c1C)c1c(C)noc1C	160635280	DKJSFKKAJZLCOR-AWEZNQCLSA-N	304.394	2.452	70	20	DEID	
COCC[C@@H](C)NC(=O)NCCCc1cc(OC)ccc1OC	160864984	HPKPHTNAALEFKQ-CYBMUJFWSA-N	324.421	2.361	70	20	DEID	
CN(CCn1ccnc1)[C@H]1CCN(c2ccccc2Cl)C1=O	159815799	FENATODFNFWFJN-HNNXBMFYSA-N	318.808	2.274	70	20	DEID	
CC(=O)N[C@H](C)C(=O)Nc1nnc(-c2cccc3ccccc23)[nH]1	159629286	FAZCVMMLKOLKAW-SNVBAGLBSA-N	323.356	2.088	70	20	DEID	
CCOC(=O)NCCCC(=O)N(c1nc(C)cs1)C1CC1	159641259	UQOVZHFMLSHVEE-UHFFFAOYSA-N	311.407	2.473	70	20	DEID	
Cc1onc(-c2ccncc2)c1C(=O)NCC[C@@H](O)C(C)C	159465516	PNHADUABUMKXFF-CYBMUJFWSA-N	303.362	2.182	70	20	DEID	
COc1ccccc1[C@H](N)C(=O)NCCNC1CCCCCC1	159669848	DUIVWTTWIWMCMH-KRWDZBQOSA-N	319.449	2.124	70	20	DEID	
CC(C)[C@@H](Cc1ccccc1)C(=O)N[C@H](C)CN1CCOCC1	159910605	ATEPQMOANITKFZ-SJLPKXTDSA-N	318.461	2.338	70	20	DEID	
Cc1ccc(S(=O)(=O)NC[C@H](O)C2CCCCC2)cc1F	159528260	ROGPQRGZOPAIIA-HNNXBMFYSA-N	315.410	2.354	70	20	DEID	
O=C(C[C@H]1CNCCO1)NC(c1cccs1)c1cccs1	159926777	OCXLDWQXRMCZHD-NSHDSACASA-N	322.455	2.394	70	20	DEID	
CC(C)N(CCN(C)C)C(=O)N[C@@H]1CCO[C@H]1c1ccccc1	159396038	SXXMFBGNUPDLBG-SJORKVTESA-N	319.449	2.498	70	20	DEID	
CS(=O)(=O)Nc1ccc(NC(=O)Nc2ccc(O)cc2)cc1	217282491	AJCYTOPCRNMTKC-UHFFFAOYSA-N	321.358	2.408	70	20	DEID	
CCC[C@H](OCC)C(=O)Nc1cccc(S(=O)(=O)F)c1	460087927	BQHICRLGAFWQHR-LBPRGKRZSA-N	303.355	2.489	70	20	DEID	
Cc1cc(S(=O)(=O)N[C@H]2CC[C@@H](CO)CC2)cc(C)c1F	161364741	JUIDPPOWSJMGJV-JOCQHMNTSA-N	315.410	2.272	70	20	DEID	
C[C@@H](CC(=O)N1CCC(N2CCCC2=O)CC1)c1ccncc1	160058874	KVDRAFOWVCDFGQ-AWEZNQCLSA-N	315.417	2.189	70	20	DEID	
Cc1nc(NC(=O)[C@@H]2CCCN2C(=O)C(C)C)cc(C2CC2)n1	160246257	SBAQDZWYLVLZDJ-AWEZNQCLSA-N	316.405	2.248	70	20	DEID	
CCc1noc(C)c1CS(=O)(=O)c1nc2ccccc2[nH]1	160345952	CLEHFDZYAOBRFJ-UHFFFAOYSA-N	305.359	2.396	70	20	DEID	
COCCN(CCO)C(=O)c1sc2cccc(F)c2c1C	160606899	GOHWHMXTNCMABL-UHFFFAOYSA-N	311.378	2.430	70	20	DEID	
C[C@H](O)[C@H]1CCN(C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)C1	160878741	WJTLJOOUCWAIAV-LLLHUVSDSA-N	318.417	2.319	70	20	DEID	
CCc1nnc(NC(=O)Cc2cccc(OCCOC)c2)s1	159607545	ORBFUXYNXQOFNU-UHFFFAOYSA-N	321.402	2.307	70	20	DEID	
Cc1cc(N[C@@H](C)C(=O)NC(=O)Nc2ccccc2F)nn1C	159615683	POGDTQSXUOLLQB-JTQLQIEISA-N	319.340	2.016	70	20	DEID	
C[C@@H](C(=O)N1CCC[C@@H](N2CCCC2=O)C1)c1ccsc1	159810301	CUTRHYKMHLSFJT-TZMCWYRMSA-N	306.431	2.465	70	20	DEID	
CCCCN(C)CCNC(=O)N[C@H](C)Cc1c(C)noc1C	159811709	GDMARFMKIKQASY-GFCCVEGCSA-N	310.442	2.254	70	20	DEID	
COc1ccccc1S(=O)(=O)N(C)CCc1nccs1	159642110	NBMJZMIVMCJZIM-UHFFFAOYSA-N	312.416	2.015	70	20	DEID	
CCC(CC)(CNCC(=O)N[C@H]1CCCC[C@@H]1C)C(=O)OC	159669949	OXRHEWQEQDJENG-KBPBESRZSA-N	312.454	2.250	70	20	DEID	
CCc1ccccc1NC(=O)CN(C)C(=O)[C@H]1CCCCO1	159918356	HVLSWKKGAGFRGB-OAHLLOKOSA-N	304.390	2.215	70	20	DEID	
CC[C@@H]1CCC[C@H](C)N1C(=O)c1cc(S(=O)(=O)F)c[nH]1	1337490582	HWXRYTUMXCSPFK-VHSXEESVSA-N	302.371	2.466	70	20	DEID	
C[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)Cc2ccccc21	1348816529	FUVJYDJVOOVZEF-JTQLQIEISA-N	322.361	2.432	70	20	DEID	
CN1CCO[C@@H](C(=O)NC2(c3ccc(F)cc3F)CCCC2)C1	161143791	SUAMRSUWKUCGQP-OAHLLOKOSA-N	324.371	2.181	70	20	DEID	
CCCN(C(=O)[C@H]1CCCO1)[C@H](C)C(=O)Nc1ccccc1	161459650	RGXCBAJIQGSAEL-UKRRQHHQSA-N	304.390	2.431	70	20	DEID	
COc1cc(C)ccc1OCC(=O)NCCc1cccc(O)c1	160161651	QHNOXJBSNULFJS-UHFFFAOYSA-N	315.369	2.447	70	20	DEID	
CCO[C@@H]1C[C@@H](NC(=O)C[C@H]2COC(=O)C2)C12CCCCC2	160281222	PVMQMDBQYFYYLI-MGPQQGTHSA-N	309.406	2.184	70	20	DEID	
COc1ccccc1CN(C(=O)c1cccc(=O)n1C)C1CC1	160429122	SSJHVAVNSDNPOI-UHFFFAOYSA-N	312.369	2.199	70	20	DEID	
CN(CC[C@H]1CCCCN1C)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1	160586916	KCRIDHLGJDQMER-ZACQAIPSSA-N	323.481	2.460	70	20	DEID	
CN1CCC[C@@H]2CN(C(=O)N[C@@H]3CCO[C@H](C4CC4)C3)CC[C@@H]21	160587881	WLRVPHOIIDLYEF-NCOADZHNSA-N	321.465	2.070	70	20	DEID	
Cc1ccc(C)c(-n2ncc(NC(=O)NCCCO)c2C)c1	160756003	YNEWCWBUJLUIGV-UHFFFAOYSA-N	302.378	2.301	70	20	DEID	
CC(C)COC(=O)N1CCN(CCCN2CCCCC2)CC1	160767637	HJZPVVRQUZMYLW-UHFFFAOYSA-N	311.470	2.273	70	20	DEID	
CC(C)n1nccc1C(=O)NCC(C)(C)N1C[C@H](C)O[C@@H](C)C1	160968302	BIZPQWIFBYBDCU-KBPBESRZSA-N	322.453	2.082	70	20	DEID	
CCCCN(C)CCNC(=O)N1CCC[C@H](N2CCCC2)CC1	159808020	QHWHCOSUUMQSPS-KRWDZBQOSA-N	324.513	2.378	70	20	DEID	
C[C@H](C(=O)N1CCC[C@@H](N2CCCC2=O)C1)c1ccsc1	159810210	CUTRHYKMHLSFJT-GXTWGEPZSA-N	306.431	2.465	70	20	DEID	
CC[C@H](NS(=O)(=O)[C@@H](C)COC)c1ccc(F)cc1F	159627248	AHRQWKSHICLMKL-ZANVPECISA-N	307.362	2.370	70	20	DEID	
O=S(=O)(NCc1ccccc1CO)c1cc2ccccc2o1	159756286	SBIOGYPZOWFAKE-UHFFFAOYSA-N	317.366	2.404	70	20	DEID	
CC[C@H](C)N(C)CCNS(=O)(=O)c1c(C)cc(F)cc1C	217910142	SAGHIBXLPGPETJ-ZDUSSCGKSA-N	316.442	2.451	70	20	DEID	
O=C(c1cccc(S(=O)(=O)F)c1)N1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1	1121185669	USFTTZYLFLTIQN-LWWSYDQCSA-N	323.389	2.463	70	20	DEID	
CC(C)[C@@H]1C[C@H]1CNC(=O)Cc1ccc(S(=O)(=O)F)cc1	1340754409	VEWMMVGMMGKGQD-JSGCOSHPSA-N	313.394	2.296	70	20	DEID	
CCCC(=O)N1CCC(C(=O)Nc2ccc(OC)c(N)c2)CC1	161009888	BVSKSANEZOXVRU-UHFFFAOYSA-N	319.405	2.255	70	20	DEID	
CCOc1cc(NC2CCN(C(=O)c3ccco3)CC2)ncn1	161112059	BLGPNEMGHLYIFA-UHFFFAOYSA-N	316.361	2.185	70	20	DEID	
COC(=O)c1cccc(CN2CCN(c3ccncc3)CC2)c1	161351719	YYBHCDICSWAATP-UHFFFAOYSA-N	311.385	2.190	70	20	DEID	
Cc1cc(O)cc(=O)n1CC(=O)N[C@@H](C)c1ccc(F)cc1F	161434087	YXQLAHHHFQNVCI-JTQLQIEISA-N	322.311	2.018	70	20	DEID	
CC(C)N1CC[C@@H](Nc2ccc3oc(N(C)C)nc3c2)C1=O	160027154	FULAWXDGWGYIPM-GFCCVEGCSA-N	302.378	2.315	70	20	DEID	
COC(=O)c1c(C)cccc1S(=O)(=O)NCC1(C2CC2)CC1	160202796	UHAILUPPWAMXQQ-UHFFFAOYSA-N	323.414	2.250	70	20	DEID	
CCC(N)(CC)CNC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2	160447573	BATWHWOQVHSFGD-SNVBAGLBSA-N	321.446	2.367	70	20	DEID	
CC[C@]1(C)C[C@H]1C(=O)N(C)Cc1nc2ccsc2c(=O)[nH]1	160621326	RLGRLAFUVAYZES-BJOHPYRUSA-N	305.403	2.379	70	20	DEID	
COCCC1(CNC(=O)NCc2ccnc(OC(C)C)c2)CC1	160758809	OFEZPRQXRGGNJF-UHFFFAOYSA-N	321.421	2.485	70	20	DEID	
NC(=O)N1CC[C@@H](NC(=O)C2(c3cccs3)CCCCC2)C1	160017126	DJVOONICXRKAJO-GFCCVEGCSA-N	321.446	2.219	70	20	DEID	
C[C@@](O)(CNc1ccc(S(C)(=O)=O)cc1)c1ccsc1	159404021	BJYNNVWGWUYXGX-CQSZACIVSA-N	311.428	2.471	70	20	DEID	
C[C@@H]1C[C@H](CN)CN1C(=O)c1ccc(OC(F)(F)F)cc1	159424246	UAFLDJPJFYVHSC-NXEZZACHSA-N	302.296	2.395	70	20	DEID	
C[C@H]1COCCN1C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1	159883724	QTSFKULCQGABEZ-VYDXJSESSA-N	317.433	2.080	70	20	DEID	
Cc1ccc(-n2ccnc2)c(C(=O)N2C[C@@H]3CCC[C@H](C2)N3)c1	159899378	JDYZEVXACXAVKU-GASCZTMLSA-N	310.401	2.147	70	20	DEID	
CC(=O)N1CC[C@@H](NC(=O)c2cncc(-c3ccc(C)cc3)c2)C1	159568207	UDDAONOJBMPGBU-GOSISDBHSA-N	323.396	2.408	70	20	DEID	
C[C@H]1CC(=O)CC[C@H]1C(=O)NCCN1CCc2ccccc2C1	159761165	DPEIOQGJXSDRBL-KBXCAEBGSA-N	314.429	2.166	70	20	DEID	
CC(C)[C@@H]1N(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC12CCC2	1351947081	UVGKCIKBPMYUEU-LBPRGKRZSA-N	314.382	2.324	70	20	DEID	
O=C(Nc1cccc(S(=O)(=O)F)c1)[C@H]1Cc2ccccc2O1	460094195	RLHCCGSZLQWRHY-CQSZACIVSA-N	321.329	2.287	70	20	DEID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N1CC[C@@H](CF)C1	1337633011	PJVAZAQAGNZXKP-JTQLQIEISA-N	303.330	2.085	70	20	DEID	
O=C(Cc1ccc(S(=O)(=O)F)cc1)NC(C1CC1)C1CC1	1515704659	ZKKOMGSJSPNMGE-UHFFFAOYSA-N	311.378	2.192	70	20	DEID	
C[C@H](c1cccs1)N(C)C(=O)N[C@@H]1CCc2ncnn2C1	161037281	HHEJTFBIWDEYPU-GHMZBOCLSA-N	305.407	2.057	70	20	DEID	
O=S(=O)(c1ccccc1-c1ccccc1)N1CC[C@@H](O)C1	161146258	JIBCBWNTNQUXDW-CQSZACIVSA-N	303.383	2.109	70	20	DEID	
COCCNC(=O)N[C@@H](c1ccc(OC)cc1)C(F)(F)F	161498052	MYWGRZMIDKGXMI-NSHDSACASA-N	306.284	2.244	70	20	DEID	
Cc1ccccc1NC(=O)CCSCCN1CCOCC1	160003259	XQPYWQZPBRSDIJ-UHFFFAOYSA-N	308.447	2.389	70	20	DEID	
CCn1cnnc1-c1ccccc1NC(=O)Nc1ccn(C)n1	160198913	SQPNPBJLEFXUNF-UHFFFAOYSA-N	311.349	2.343	70	20	DEID	
CC(C)(C)[C@H](NC(=O)Cc1ccc(F)cc1Cl)C(N)=O	160230498	XMCQBFIASRWXRF-GFCCVEGCSA-N	300.761	2.038	70	20	DEID	
C[C@@H](Cc1ccccc1F)C(=O)NCC1(N(C)C)CCOCC1	160336121	OIPZVJIDUKTRMC-AWEZNQCLSA-N	322.424	2.231	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)Cc1c[nH]c2ccc(OC)cc12	160376690	DHRVCOSGYMLVJU-LLVKDONJSA-N	318.373	2.177	70	20	DEID	
CCCNC(=O)[C@@H](C)S(=O)(=O)c1ncc(C(C)(C)C)s1	160390371	QZWLBPUBCROTHG-SECBINFHSA-N	318.464	2.129	70	20	DEID	
CCC(CC)c1cc(C(=O)NC[C@@H](O)CN2CCCCC2)on1	160504893	TZBPSJGRJSIJJO-CQSZACIVSA-N	323.437	2.155	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)c1nc(C(C)C)ncc1Cl	160624090	PQZLBYWWMIKLBU-SECBINFHSA-N	313.785	2.325	70	20	DEID	
Cn1c(=O)oc2c(C(=O)Nc3ccc(Cl)cn3)cccc21	160641681	DMZNCOHWMGHLJE-UHFFFAOYSA-N	303.705	2.432	70	20	DEID	
Cc1nc(CC(=O)Nc2nnc(C(F)(F)F)[nH]2)c(C)s1	160806736	JNECEQNMCONHHL-UHFFFAOYSA-N	305.285	2.078	70	20	DEID	
CC(=O)N1CC[C@@H](NC(=O)[C@@H](C)CCc2cccc(F)c2)C1	159849366	RTPAULIMLPWMIO-BLLLJJGKSA-N	306.381	2.131	70	20	DEID	
Cc1c(C(=O)NC[C@@H](C)Cn2cccn2)cnn1CC(C)C	159477187	OZFVLHRBAKIYFF-CYBMUJFWSA-N	303.410	2.110	70	20	DEID	
CCCCn1ncc(NC(=O)NCC2CCN(C)CC2)c1C	159684678	MMYJYPMCHGFDLC-UHFFFAOYSA-N	307.442	2.455	70	20	DEID	
CCCCn1ncc(NC(=O)N[C@H](C)CC(=O)OCC)c1C	159756769	QVTAECROJWNENX-LLVKDONJSA-N	310.398	2.455	70	20	DEID	
CC(C)OC1CCC(NC(=O)[C@H]2CCn3cncc3C2)CC1	159573467	LTIYBVBJZMHKKV-HLIUYOAVSA-N	305.422	2.298	70	20	DEID	
CCOC(=O)CCc1ccc(NC(=O)N2CCC[C@@H](O)C2)cc1	159581846	HZBDNCXACSMODR-OAHLLOKOSA-N	320.389	2.171	70	20	DEID	
CN(Cc1cc(Br)ccc1F)Cc1nncn1C	160867501	BQZCNUUJXUCCRF-UHFFFAOYSA-N	313.174	2.349	70	20	DEID	
CCCCN(CCOC)C(=O)c1ccc(S(=O)(=O)F)cc1	865207972	SJBCXMCBMIDPDM-UHFFFAOYSA-N	317.382	2.234	70	20	DEID	
CCC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(OC)c(N)c1	161007020	PDAPNTZKKONTNQ-ZDUSSCGKSA-N	305.378	2.007	70	20	DEID	
C[C@H](c1ccc(F)cc1)N(C)C(=O)N[C@H]1CCc2ncnn2C1	161178178	GYVIBMPQWCEPNY-RISCZKNCSA-N	317.368	2.135	70	20	DEID	
CC[C@@]1(C)NC(=O)N(CC(=O)NCC(C)(C)C2CCCC2)C1=O	160007987	VEONMCYKNOHREZ-QGZVFWFLSA-N	323.437	2.040	70	20	DEID	
CN(CCc1nccs1)C(=O)c1cccc(-c2ncn[nH]2)c1	160150615	HEOQETZQEAQVTG-UHFFFAOYSA-N	313.386	2.243	70	20	DEID	
Cc1cc(C(C)(C)C)ccc1OCCCC(=O)N[C@@H](C)C(N)=O	160179065	VNVNDMPMIZTQFA-ZDUSSCGKSA-N	320.433	2.442	70	20	DEID	
O=C(c1ccc(F)cc1F)N1CCN(CCOCC2CC2)CC1	160316482	DJKXOYUBTJRWQG-UHFFFAOYSA-N	324.371	2.149	70	20	DEID	
COC(=O)C[C@@H](NS(C)(=O)=O)c1ccc(C(C)(C)C)cc1	160360041	RISBDIQMIGJHRS-CYBMUJFWSA-N	313.419	2.138	70	20	DEID	
COC(=O)[C@@H](C)CNC(=O)CCCOc1ccc2c(c1)CCC2	160460605	XZLVLJZQYWHINB-ZDUSSCGKSA-N	319.401	2.260	70	20	DEID	
CCOC(=O)c1ccc(S(=O)(=O)Nc2[nH]nc(C)c2C)cc1	160494764	WOBRLVWSQHWUFJ-UHFFFAOYSA-N	323.374	2.004	70	20	DEID	
CCCNC(=O)c1cccc(NC(=O)N[C@@]2(C)CCOC2)c1	160799014	OLHMYTNPUKDHMM-INIZCTEOSA-N	305.378	2.127	70	20	DEID	
CC[C@@H](O)CCNC(=O)NCc1ccc(CN(CC)CC)cc1	160827233	WXPPSKLXVGQISJ-QGZVFWFLSA-N	321.465	2.489	70	20	DEID	
CCNC(=O)CCCC(=O)N[C@@H](C)CC(=O)c1cccs1	160848729	UWRRFXLTDSUGNC-NSHDSACASA-N	310.419	2.132	70	20	DEID	
Cc1nn(C)c2ncc(NC(=O)N(C)[C@H]3CCSC3)cc12	160909504	SYBKWXLLSZAJLJ-NSHDSACASA-N	305.407	2.246	70	20	DEID	
Cc1ccc(C(=O)CCN2CCN(c3nccn3C)CC2)cc1	160921970	GTFBKWCGAZJFLZ-UHFFFAOYSA-N	312.417	2.124	70	20	DEID	
CN(CC1CCC1)C(=O)c1cc(N2CCNC2=O)ccc1F	159810573	SWUATXHJXFKOAD-UHFFFAOYSA-N	305.353	2.227	70	20	DEID	
CC[C@@H](C)c1cc(C(=O)NCCCN2C[C@H](C)O[C@H](C)C2)on1	159426447	UEDRGUWVYSVBPO-MCIONIFRSA-N	323.437	2.417	70	20	DEID	
CCc1nc(CNC(C)(C)CN(C)Cc2ccccc2)n[nH]1	159514248	SPLHFCYDOJDBHP-UHFFFAOYSA-N	301.438	2.367	70	20	DEID	
CC(C)[C@@H](C(=O)NC[C@@H](C[C@@H](C)O)c1ccccc1)N(C)C	159516439	VHDMBQWKKBMUCA-OIISXLGYSA-N	306.450	2.244	70	20	DEID	
COc1ccc(C[C@H](C)CN(C)C(=O)[C@]2(O)CCSC2)cc1	159519865	VLFANGFPQXCQRR-GUYCJALGSA-N	323.458	2.200	70	20	DEID	
Cc1nn(C)c(C)c1[C@H](OC(=O)c1cnsn1)C(F)(F)F	159943662	IJTKNHLMIVDZGC-VIFPVBQESA-N	320.296	2.349	70	20	DEID	
CC(C)COC[C@H](O)CNC(=O)C1C2CC3CC(C2)CC1C3	159379875	KJNLFIBWZOGWEQ-OBYDGYHJSA-N	309.450	2.208	70	20	DEID	
CC1(C)C[C@H](C(=O)Nc2cccc(S(=O)(=O)F)c2)CCO1	1121193784	QZZQAYPVBPHZHT-SNVBAGLBSA-N	315.366	2.489	70	20	DEID	
CCC1(NC(=O)c2cc(S(C)(=O)=O)ccc2OC)CCC1	160073329	SKXOZDQARAMBOH-UHFFFAOYSA-N	311.403	2.161	70	20	DEID	
O=C(c1ccc(SCCn2ccnc2)nc1)N1CCCC1	160081325	FKMPMTSVGIOMLB-UHFFFAOYSA-N	302.403	2.306	70	20	DEID	
C[C@@H](CNC(=O)[C@H](O)c1ccccc1Cl)CN1CCCC1	160094282	RXGHIIVZZSRESI-SWLSCSKDSA-N	310.825	2.222	70	20	DEID	
CCN(C)CCNC(=O)CCSc1ccc2c(c1)OCCO2	160147586	ORHZYYQCPXIMQG-UHFFFAOYSA-N	324.446	2.008	70	20	DEID	
NC(=O)[C@H]1CCCN1Cc1ccccc1OCc1ccccn1	160329751	GUETXMSBTSOGSO-MRXNPFEDSA-N	311.385	2.110	70	20	DEID	
CC(C)NC(=O)Nc1cccc(C(=O)N[C@@H](CCO)C(C)C)c1	160520868	HFTJYSWRLWHXHS-HNNXBMFYSA-N	321.421	2.353	70	20	DEID	
Cc1n[nH]c(SCC(=O)NCCCSCC(C)C)n1	160670420	PYAHVMNWDYJPQB-UHFFFAOYSA-N	302.469	2.101	70	20	DEID	
CCc1n[nH]c(-c2ccccc2NC(=O)c2csnn2)n1	160943832	PUJIFLBDPSJXES-UHFFFAOYSA-N	300.347	2.138	70	20	DEID	
COc1cc(C(=O)N(C)Cc2cccnc2)cc(OC)c1O	160972044	MMCKQWCSSFUDGB-UHFFFAOYSA-N	302.330	2.077	70	20	DEID	
CCOC(=O)CNC1(c2ccc3c(c2)OCCO3)CCCC1	159700301	QDVLWJOSCZYFHN-UHFFFAOYSA-N	305.374	2.380	70	20	DEID	
Cc1cc(NC(=O)[C@H](CC(C)C)N2CCCCC2=O)c[nH]c1=O	159578721	MNEQTQZTSUDEEM-AWEZNQCLSA-N	319.405	2.049	70	20	DEID	
CC[C@H](Oc1ccc(S(=O)(=O)c2ccccc2)cc1)C(N)=O	159397041	VHJGOBYCIZQKLP-HNNXBMFYSA-N	319.382	2.162	70	20	DEID	
C[C@H](C(=O)N1CCC(NCC2CC2)CC1)[C@H](N)c1ccccc1	159787732	BVLIVLQJSOLORY-KSSFIOAISA-N	315.461	2.313	70	20	DEID	
COCc1nc2n(n1)C[C@H](N[C@@H](C)c1ccccc1C)CC2	159793684	WTORTJBYAQAYKS-UONOGXRCSA-N	300.406	2.399	70	20	DEID	
O=S(=O)(F)N1CCC[C@H](c2cc(-c3ccccc3)[nH]n2)C1	1887579024	QVILMVIJQQVCJE-LBPRGKRZSA-N	309.366	2.470	70	20	DEID	
Cc1ccc(C)c(OC[C@H](O)CN2CCC[C@@H](N(C)C)C2)c1C	217139706	LMVLYKLKZKXGLZ-QZTJIDSGSA-N	320.477	2.378	70	20	DEID	
CC1(C)C[C@H](NC(=O)c2ccc(S(=O)(=O)F)cc2)CCO1	585125654	AHVJZGYLPHTEJF-LLVKDONJSA-N	315.366	2.032	70	20	DEID	
C[C@@H]1CC[C@H](COC(=O)c2cccc(S(=O)(=O)F)c2)O1	1334329360	FCCVGGVDCQRBKG-MWLCHTKSSA-N	302.323	2.069	70	20	DEID	
C[C@@H](O)C[C@H]1CCCCCN1c1ccc(S(=O)(=O)F)cn1	1550621751	CGAAICXQRKWEHX-VXGBXAGGSA-N	316.398	2.260	70	20	DEID	
COCCC1(CNC(=O)N2CCC[C@H](N3CCCC3)C2)CC1	161018742	HYUWYLBMFZADSX-HNNXBMFYSA-N	309.454	2.073	70	20	DEID	
CS[C@@H]1CCC[C@@H](NC(=O)[C@@H]2Cc3ccccc3CN2)C1	161122758	DMKHZGKFGUTJFQ-OAGGEKHMSA-N	304.459	2.491	70	20	DEID	
Cc1noc([C@@H]2COCCN2Cc2ccc3ncccc3c2)n1	161131215	CFSSOFQRPLHEHE-INIZCTEOSA-N	310.357	2.500	70	20	DEID	
COC[C@@H](O)CCNC(=O)CCn1ccc2cc(Cl)ccc21	161164633	QIMBQDORIVNXRD-AWEZNQCLSA-N	324.808	2.198	70	20	DEID	
CCCNC(=O)CCNC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F	161370461	LNMFOGRAIBJBDO-NEPJUHHUSA-N	310.344	2.101	70	20	DEID	
CC1CCC(N(C)C(=O)CSc2ncnc3[nH]cnc23)CC1	161372211	RKFIJNAADFAPLZ-UHFFFAOYSA-N	319.434	2.482	70	20	DEID	
CC(C)(C)c1nsc(N2CCC(Cn3ccnn3)CC2)n1	160093010	GJGDDTDKHJTRAA-UHFFFAOYSA-N	306.439	2.344	70	20	DEID	
COC(=O)c1ccc(F)c(NC(=O)N2CCC[C@@H]2C[C@H](C)O)c1	160110228	BVPDUPALLGRFPR-CMPLNLGQSA-N	324.352	2.380	70	20	DEID	
Cc1ccc(SCC(=O)NC[C@@H](O)CN2CCCCC2)cc1	160176767	OSBKZNPGGGSBPG-OAHLLOKOSA-N	322.474	2.050	70	20	DEID	
CCc1cc(C(=O)N2CSC[C@@H]2C(=O)N(C)C)oc1CC	160201024	VBLQJMGJHDOHQC-LLVKDONJSA-N	310.419	2.008	70	20	DEID	
C[C@H](CC(=O)NCc1ccc(C(N)=O)o1)c1ccc(F)cc1F	160225802	OMZJDNJQAWGXQX-SECBINFHSA-N	322.311	2.467	70	20	DEID	
Cc1ccc(-c2nnc(NC(=O)c3noc4c3CCCC4)[nH]2)o1	160336416	SHYLTFFQBPTNAS-UHFFFAOYSA-N	313.317	2.492	70	20	DEID	
Cc1cc(NC(=O)c2ccc(CN)o2)ccc1C(=O)N(C)C	160517492	XMIYSXVEYSNNNV-UHFFFAOYSA-N	301.346	2.001	70	20	DEID	
CCc1nc2n(n1)C[C@H](NC(=O)[C@H](C)c1ccsc1)CC2	160707499	WNNPKDNMLXKACD-ZYHUDNBSSA-N	304.419	2.137	70	20	DEID	
COC[C@@H](O)CCNC(=O)c1ccc(OC2CCCC2)cc1	160901244	DXULEGVOTASXSL-AWEZNQCLSA-N	307.390	2.135	70	20	DEID	
CNC(=O)CCCN(C)C(=O)Nc1ccc(Cl)c(F)c1	160909382	LHPMQRGEXYCJER-UHFFFAOYSA-N	301.749	2.469	70	20	DEID	
CC(=O)Nc1cc(C(=O)NCC2(N)CCCCC2)ccc1F	159532577	XTDCVEYGNCOUEK-UHFFFAOYSA-N	307.369	2.176	70	20	DEID	
O=C1CSc2ccc(NC(=O)NCc3cccnc3)cc2N1	159759580	IVPIVLAACYKNDA-UHFFFAOYSA-N	314.370	2.448	70	20	DEID	
CCC(N)(CC)CNC(=O)COc1ccc(F)cc1Cl	160411182	UNJWDPRHEQXPGR-UHFFFAOYSA-N	302.777	2.492	70	20	DEID	
CCC[C@@H](CNC(=O)c1ccc(S(=O)(=O)F)cc1)OCC	1119492180	PLDQQXJJRUJJPV-LBPRGKRZSA-N	317.382	2.280	70	20	DEID	
CCCn1c(C)nnc1Cn1cc(C(F)(F)F)ccc1=O	161194781	VHGPQKNPBPLEHG-UHFFFAOYSA-N	300.284	2.225	70	20	DEID	
Cc1ccc(Cl)c(NC(=O)N[C@H](C)[C@H]2CN(C)CCO2)c1	161195045	MCTBQSQWGOWKFK-BXUZGUMPSA-N	311.813	2.489	70	20	DEID	
O=C(NCc1cccnc1OCC(F)(F)F)[C@@H]1CCCCO1	161458337	NQLMSWRVHZQIFX-NSHDSACASA-N	318.295	2.208	70	20	DEID	
COC(=O)c1cccc(NC(=O)N2CCC[C@H]2C[C@H](C)O)c1	160018175	NHMUNROWSFJGRY-FZMZJTMJSA-N	306.362	2.240	70	20	DEID	
Cc1nn(C)cc1CN[C@@H](CN1CCCC1=O)c1ccccc1	160230251	BFEQYDMLLYADSD-KRWDZBQOSA-N	312.417	2.182	70	20	DEID	
CCOC(=O)Cc1csc(NC(=O)C[C@@H](C)SC)n1	160396183	MJXDDKCFMDNCHC-MRVPVSSYSA-N	302.421	2.329	70	20	DEID	
O=C(NC1CCN([C@H]2CCCC[C@@H]2O)CC1)c1cccc(F)c1	160631609	JPEKIZVICVKUTI-IRXDYDNUSA-N	320.408	2.323	70	20	DEID	
COCc1cc(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)no1	160738480	VMIXJUVEOUZNSY-GFCCVEGCSA-N	308.378	2.433	70	20	DEID	
C[C@H](Cc1ccc(O)cc1)NC(=O)c1ncn(-c2ccccc2)n1	160739588	RFGAOAMFHONUAJ-CYBMUJFWSA-N	322.368	2.334	70	20	DEID	
CC(C)NC1CCN(C(=O)N[C@@H]2CCN(C3CCCC3)C2)CC1	160913292	UILFQGDWCKARAP-MRXNPFEDSA-N	322.497	2.175	70	20	DEID	
CCn1c(SCc2nncn2C)nnc1-c1ccccc1	160927357	ZGZQVFLDBAXZPB-UHFFFAOYSA-N	300.391	2.386	70	20	DEID	
CC(C)CN1CCCC[C@H]1CNC(=O)N1CCC[C@H](N(C)C)C1	160942740	UJAGEGDKVPOHFU-IRXDYDNUSA-N	324.513	2.233	70	20	DEID	
COC1(C(=O)N2C[C@@H](c3ccc(F)cc3)C[C@H]2C)CCNCC1	159805081	PZNILBWFDLAENB-HIFRSBDPSA-N	320.408	2.299	70	20	DEID	
O=C(Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1)[C@@H]1CCCCN1	159420979	XGDNSKQKDFBURG-BBWFWOEESA-N	318.417	2.450	70	20	DEID	
CC(=O)N1CC[C@@H](NC(=O)C2(Cc3ccccc3)CCC2)C1	159665065	HNVOHTOWQSOIQZ-MRXNPFEDSA-N	300.402	2.136	70	20	DEID	
CC[C@@H]1CCC[C@H]1NC(=O)[C@@H](C)Sc1nnnn1C1CC1	159516784	ZUCOFMZTNSGPBL-CKYFFXLPSA-N	309.439	2.184	70	20	DEID	
CN(C)S(=O)(=O)c1c(Cl)cc(F)cc1Br	159598772	TYSABWRGFZOUKB-UHFFFAOYSA-N	316.579	2.492	70	20	DEID	
Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)F)cc2)cn1	123013293	ZAFAUMZZVSKXQT-UHFFFAOYSA-N	308.334	2.229	70	20	DEID	
O=[N+]([O-])c1ccc(N2CCC(F)(F)C2)c(CS(=O)(=O)F)c1	882164482	PDEILDCABVERIH-UHFFFAOYSA-N	324.280	2.240	70	20	DEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N(Cc1ccccc1)C1CC1	1336949186	KEOWULDILMTRCU-UHFFFAOYSA-N	322.361	2.478	70	20	DEID	
O=S(=O)(F)c1ccc(N[C@@H](C2CC2)[C@H]2CCCOC2)nc1	1551194029	JDWRGSNRHFBALG-FZMZJTMJSA-N	314.382	2.357	70	20	DEID	
CCNCC1CCN(C(=O)c2cc(-c3ccco3)on2)CC1	161131275	JIKLJWXDQCVIRF-UHFFFAOYSA-N	303.362	2.396	70	20	DEID	
C[C@@H](NC(=O)c1ccco1)C(=O)N[C@H]1CCOC2(CCCC2)C1	160183799	DCPMCXMRPMOVAZ-OLZOCXBDSA-N	320.389	2.006	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)[C@@H]1SCCc2ccccc21	160234855	OLKIKUHBNQCRCD-IAQYHMDHSA-N	307.415	2.475	70	20	DEID	
COc1ccc(CCCNC(=O)[C@H]2CCn3ccnc3C2)cc1	160277172	PZTJJXUJDUMJRP-HNNXBMFYSA-N	313.401	2.203	70	20	DEID	
CC[C@H](COC)NS(=O)(=O)Cc1cccc2cccnc12	160304669	CTQBWYWFAWIMMD-CQSZACIVSA-N	308.403	2.079	70	20	DEID	
CC(C)[C@H](NC(=O)Nc1ccccc1C(F)(F)F)C(N)=O	160417067	FEXQJRVRPPAJKK-JTQLQIEISA-N	303.284	2.337	70	20	DEID	
Cn1cc(Cl)cc1C(=O)Nc1cc(Cl)c(=O)n(C)c1	160635947	JJDYRBLXGRPFDR-UHFFFAOYSA-N	300.145	2.283	70	20	DEID	
Cc1cc(C(=O)NC2CCN([C@@H]3CCCC[C@@H]3O)CC2)oc1C	160745827	XZOKPMKXZZOUDX-CVEARBPZSA-N	320.433	2.394	70	20	DEID	
CC(C)(C)C(=O)NCCC(=O)NCCc1cc2ccccc2[nH]1	160955704	UPFORRHHJJVRHI-UHFFFAOYSA-N	315.417	2.379	70	20	DEID	
O=S(=O)(c1ccc2c(c1)OCCO2)N1CC[C@@H]2CCCC[C@@H]21	159814318	BDNRCJVYWMGLHH-JSGCOSHPSA-N	323.414	2.411	70	20	DEID	
COc1cc(CN2CC[C@@H](NC(=O)C(C)(C)F)C2)cc(OC)c1	159438166	UXKUUFZMAYWZQC-CYBMUJFWSA-N	324.396	2.142	70	20	DEID	
CN1CCC[C@@H]1CNC(=O)NCCOc1ccccc1Cl	159713326	KFVNQRLWUAXONY-GFCCVEGCSA-N	311.813	2.112	70	20	DEID	
Cc1nc(COC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)c(C)s1	159935871	BDVASCQHMMPLBI-CYBMUJFWSA-N	322.430	2.452	70	20	DEID	
CCSCC[C@H](C)NS(=O)(=O)c1ccc(N)cc1F	159873995	KSLUBLSQJBLMFT-VIFPVBQESA-N	306.428	2.218	70	20	DEID	
COc1ccsc1S(=O)(=O)N(C)CCc1nccs1	159654423	CPGJARNRRNCLML-UHFFFAOYSA-N	318.445	2.076	70	20	DEID	
COc1cc([C@H](C)NCCc2cnn(C)c2)cc(OC)c1OC	159745750	YRYMFWLGQVHKLB-LBPRGKRZSA-N	319.405	2.339	70	20	DEID	
COc1ccc(N(C)C(=O)[C@H](C)Sc2nncn2C)cc1F	159770106	XULPKBZAASANKY-VIFPVBQESA-N	324.381	2.106	70	20	DEID	
CCC(CC)(CC)CNC(=O)N1CCS(=O)(=O)[C@H](C)[C@H]1C	159793959	WCOICLUPXBWKAN-CHWSQXEVSA-N	318.483	2.420	70	20	DEID	
Cc1noc(C)c1C[C@@H](C)NS(=O)(=O)Cc1ccccc1	159831543	YZTHRMNNMDEJNR-LLVKDONJSA-N	308.403	2.342	70	20	DEID	
COc1ccnc(N2CCN(Cc3cnc4ccccn34)CC2)c1	159839812	KSWDWSYQBVCNCG-UHFFFAOYSA-N	323.400	2.060	70	20	DEID	
CCN1CCCN(C(=O)NCCc2nc(C)c(C)s2)CC1	159999470	SATFQFJUUJLYOS-UHFFFAOYSA-N	310.467	2.040	70	20	DEID	
Cc1cc(NC(=O)CN(C)C(=O)c2cccc(C)c2F)no1	160221948	LELXRDCIECWCHX-UHFFFAOYSA-N	305.309	2.141	70	20	DEID	
C[C@H](Cc1ccc(O)cc1)NC(=O)c1cccc(-n2ccnn2)c1	160253442	XMLWLTXMOKWKQJ-CYBMUJFWSA-N	322.368	2.334	70	20	DEID	
CCc1nn(C)c(CC)c1CNC(=O)NC1C[C@@H](C)O[C@H](C)C1	160262331	PCINFILZBNZOTM-VXGBXAGGSA-N	322.453	2.300	70	20	DEID	
CC[C@@H](CO)NC(=O)N[C@@H](c1ccco1)c1ccccc1OC	160605498	OTMORHDOQUJVDA-BLLLJJGKSA-N	318.373	2.448	70	20	DEID	
Cc1nn(C)c(C)c1OCC(=O)N1CCc2c(F)cccc2C1	160821828	YKYUBZUVLYOUSJ-UHFFFAOYSA-N	317.364	2.140	70	20	DEID	
C[C@@H](c1cccs1)N(C)C(=O)N[C@@H]1CCc2ncnn2C1	161037163	HHEJTFBIWDEYPU-WDEREUQCSA-N	305.407	2.057	70	20	DEID	
CCc1ccc(NC(=O)CN2CCN(c3ccncc3)CC2)cc1	161290235	YZQJMUIGEGBAGX-UHFFFAOYSA-N	324.428	2.405	70	20	DEID	
CCC[C@@H]1C(=O)NCCN1C(=O)Nc1cc(F)c(F)cc1F	161381254	NSEDHOFDVDYZNT-GFCCVEGCSA-N	315.295	2.236	70	20	DEID	
O=C(CSc1ncnc2[nH]cnc12)Nc1cc(F)ccc1F	161385313	QKVHIUJKEHBUJO-UHFFFAOYSA-N	321.312	2.362	70	20	DEID	
O=C1C[C@H](Cc2ccc(F)cc2)C(=O)N1Cc1nccs1	161401207	ONSMOLJTFPHPAQ-NSHDSACASA-N	304.346	2.400	70	20	DEID	
O=C(COc1ccc(F)c(Cl)c1)NCCSCCCO	161445914	UAVZKWSKDIMNQQ-UHFFFAOYSA-N	321.801	2.090	70	20	DEID	
O=C(CC1CCCC1)N1CCC(CNC(=O)C(F)(F)F)CC1	216740335	XPKNQKGPXYTTQI-UHFFFAOYSA-N	320.355	2.484	70	20	DEID	
CC(C)(C)OC(=O)NCCNC(=O)N1CCc2ccccc2C1	217263728	PFXNFJXKZFSKNH-UHFFFAOYSA-N	319.405	2.279	70	20	DEID	
c1ccc(-c2cc(N3C[C@@H]4CNC[C@H]4C3)n3nccc3n2)cc1	216922653	ZBCXYHNYJJPTFM-GJZGRUSLSA-N	305.385	2.052	70	20	DEID	
CN(CC(F)F)C(=O)c1cc(S(=O)(=O)F)ccc1Cl	1354595237	IVVINAWIFFLUIJ-UHFFFAOYSA-N	315.700	2.335	70	20	DEID	
CSc1ccc(NC(=O)C(=O)N[C@@H](C)C2CCOCC2)cc1	161045353	UAEHRPBKSCKDJF-NSHDSACASA-N	322.430	2.278	70	20	DEID	
C[C@H]1CCCC[C@H]1CNC(=O)c1ccc2[nH]c(=O)n(C)c2c1	161178439	OIQRSQHBJGPFLD-AAEUAGOBSA-N	301.390	2.423	70	20	DEID	
COc1ccc(C2(C(=O)N3CC[C@@H](N)C3)CCCCC2)cc1	160226342	VWEVSWUYAYDITR-OAHLLOKOSA-N	302.418	2.457	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)c1cc(-c2ccccc2)no1	160575204	IQZDCQQXMKQDDM-NSHDSACASA-N	302.330	2.413	70	20	DEID	
C[C@@H](O)[C@@H]1CCCN(C(=O)Nc2ccn(CC(F)(F)F)n2)C1	160648433	BJAQZLWKGQHCSE-NXEZZACHSA-N	320.315	2.070	70	20	DEID	
Cc1ccc(-c2nnc(SCc3nncn3C)n2C)cc1	160939322	ZGAHXGCTJCKCEZ-UHFFFAOYSA-N	300.391	2.211	70	20	DEID	
C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)NCC1(CO)CCOCC1	159420634	TXZICQTWCBGWGK-ZIAGYGMSSA-N	312.454	2.290	70	20	DEID	
O=C(CC1CCCC1)NCC(=O)N[C@H]1CCCc2occc21	159642316	BYJSOWULJRFVHL-AWEZNQCLSA-N	304.390	2.470	70	20	DEID	
CCCC(=O)N1CCC[C@@H]1C(=O)Nc1cc(C2CC2)nc(C)n1	159879177	FPEYXOUJOYBHST-CQSZACIVSA-N	316.405	2.392	70	20	DEID	
Cc1ccc(C(=O)N2CCO[C@@H](C)[C@@H]2C)c(Br)n1	159681931	WRBRLDIVGHOBPO-UWVGGRQHSA-N	313.195	2.402	70	20	DEID	
Cc1nccc(NC(=O)NCCOC[C@H]2CCCO2)c1Cl	159498535	ZGPFKZJBLVAZKO-LLVKDONJSA-N	313.785	2.361	70	20	DEID	
COc1cccnc1N(C)S(=O)(=O)Cc1cccc(F)c1	159537609	QZGIXJBBAAXRFB-UHFFFAOYSA-N	310.350	2.196	70	20	DEID	
CCOC[C@H]1CCN(C(=O)c2ccncc2Br)C1	159453903	BXARRYFOOUJHKW-JTQLQIEISA-N	313.195	2.343	70	20	DEID	
Nc1c(Cl)cccc1C(=O)OCc1nnc2n1CCCC2	217322847	ZPHNCNYHJIDPGY-UHFFFAOYSA-N	306.753	2.207	70	20	DEID	
COCC1(C(=O)Nc2cccc(S(=O)(=O)F)c2)CCCC1	460087471	AQVGSEGSWZBPOW-UHFFFAOYSA-N	315.366	2.490	70	20	DEID	
COc1ccc(S(=O)(=O)N2[C@H]3C=CC[C@H]2CC3)cc1OC	218759607	KNFUHPKJLLJYBW-RYUDHWBXSA-N	309.387	2.185	70	20	DEID	
O=C(Nc1cccc(S(=O)(=O)F)c1)[C@H]1COc2ccccc21	460091715	KMPRBHWEQBLIEC-ZDUSSCGKSA-N	321.329	2.460	70	20	DEID	
Cc1ccc(NC(=O)COCC2CC2)cc1S(=O)(=O)F	857675684	XQRRLSXWFPAKRJ-UHFFFAOYSA-N	301.339	2.018	70	20	DEID	
Cc1c(-c2ccc(Cl)cc2)nnn1CCS(=O)(=O)F	883953788	KVSRDXANUYFYED-UHFFFAOYSA-N	303.746	2.206	70	20	DEID	
O=C(OCC(=O)C1CCCC1)c1cccc(S(=O)(=O)F)c1	1262194154	IPZGPMGHNMCETL-UHFFFAOYSA-N	314.334	2.261	70	20	DEID	
CC(C)[C@@](CCS(=O)(=O)F)(C(=O)O)C(=O)c1ccccc1	1590981311	TXAHLDLOYKQSJV-CQSZACIVSA-N	316.350	2.286	70	20	DEID	
CN(C)[C@H](CNC(=O)c1cccc(F)n1)c1cccc(F)c1	161087258	SEXYKEUHLANNSV-CQSZACIVSA-N	305.328	2.393	70	20	DEID	
CCN(c1ccc(C(=O)N[C@@H](CO)CC(C)C)cn1)C(C)C	161198783	HJHLHBAJQVRYRR-OAHLLOKOSA-N	307.438	2.453	70	20	DEID	
COc1ccc(N(C)C(=O)CCNC(=O)C2CCCCC2)cn1	161278603	PAKAAUIVGWOGSJ-UHFFFAOYSA-N	319.405	2.140	70	20	DEID	
COC[C@@H](O)CCNC(=O)CSc1ccc2ccccc2c1	161311782	AJUXYPIACGERAP-HNNXBMFYSA-N	319.426	2.446	70	20	DEID	
CC(C)(C)C[C@H](CO)Nc1ccc2nnc(C(F)(F)F)n2n1	161436709	MJBOMRZXZCPXPB-MRVPVSSYSA-N	317.315	2.352	70	20	DEID	
Cc1cc(N[C@H]2CCCN(CC(F)(F)F)C2=O)nc(C)n1	161510803	OMSUWZOHUSYNKU-JTQLQIEISA-N	302.300	2.059	70	20	DEID	
C[C@@H]1CCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)C[C@@H]1C	160194821	GNMVTEGLMSSITK-RYRKJORJSA-N	317.477	2.383	70	20	DEID	
CCc1sc(C(=O)NC[C@@H](O)CN2CCCCC2)cc1C	160219948	OVXJFBZDVOAEJO-CYBMUJFWSA-N	310.463	2.196	70	20	DEID	
Cc1nc(O)ccc1C(=O)Nc1ccc(OCCN(C)C)cc1	160227712	XTZCRWSJIRMMLD-UHFFFAOYSA-N	315.373	2.288	70	20	DEID	
C[C@H]1CC(NC(=O)Nc2ccc(-n3ccnn3)cc2)C[C@H](C)O1	160341710	RXWGHYGOEABGQD-RYUDHWBXSA-N	315.377	2.345	70	20	DEID	
Cc1c(C(=O)N2CC[C@H](N3CCCC3)C2)cnn1CC(C)C	160524976	CFAWTQPCUKAAFS-HNNXBMFYSA-N	304.438	2.158	70	20	DEID	
COCc1cc(C(=O)N[C@H]2CCOC3(CCCCC3)C2)no1	160738610	VMIXJUVEOUZNSY-LBPRGKRZSA-N	308.378	2.433	70	20	DEID	
COC1(CNC(=O)Nc2ccc(-c3ncn(C)n3)cc2)CCC1	160807839	QKPFRHCOXTXUQO-UHFFFAOYSA-N	315.377	2.173	70	20	DEID	
CC(C)(C)c1ccc([C@@H](O)CNC(=O)[C@@H]2CCCNC2)cc1	160972245	DERKQHZZHONFDI-ZBFHGGJFSA-N	304.434	2.133	70	20	DEID	
CN(Cc1ccc(O)cc1)S(=O)(=O)c1c(F)cccc1F	159611599	OQFRPNKAIAKKCG-UHFFFAOYSA-N	313.325	2.491	70	20	DEID	
CCOc1ccc(C(=O)N(CC(N)=O)CC(C)C)cc1OCC	159815950	NJCYXIKSFBKJHP-UHFFFAOYSA-N	322.405	2.068	70	20	DEID	
COc1cccc(-c2cc(C(=O)NCC[C@@H](O)C(C)C)[nH]n2)c1	159463721	LLFZBJCBKXNYOM-MRXNPFEDSA-N	317.389	2.222	70	20	DEID	
Cc1ccccc1C[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1520703289	QDDALQSNXPJIPO-LLVKDONJSA-N	324.377	2.342	70	20	DEID	
COc1ccc(NC(=O)CCNC(=O)C2CCCCC2)cc1N	161285401	NTXXTKVCEPMXMY-UHFFFAOYSA-N	319.405	2.303	70	20	DEID	
COc1ccccc1CCNC(=O)N[C@@H](CCO)C(C)(C)C	161286732	XPPLLBBRWBBMIJ-HNNXBMFYSA-N	308.422	2.334	70	20	DEID	
CCS(=O)(=O)c1cccc(CC(=O)N(C)CCC2CC2)c1	161312690	QJVBALRRJRZKKV-UHFFFAOYSA-N	309.431	2.281	70	20	DEID	
COC[C@@H](O)CCNC(=O)[C@@H](C)Oc1cccc(C(C)C)c1	161338334	SYDHVLWSRFRFDY-HIFRSBDPSA-N	309.406	2.091	70	20	DEID	
CN(CC1CCOCC1)C(=O)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21	160072513	SRVSOXUSXIARAK-IXDOHACOSA-N	300.402	2.393	70	20	DEID	
CCOc1cc(NC(=O)[C@@H]2CCn3ccnc3C2)ccc1OC	160098456	NIFXLWRQDCULRA-GFCCVEGCSA-N	315.373	2.492	70	20	DEID	
COCC[C@H](C)NC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1	160396036	JNQNASNDYHZKSX-SWLSCSKDSA-N	308.378	2.401	70	20	DEID	
O=C1CC[C@H]2CN(C(=O)CCCc3cccs3)CC[C@@H]2N1	160664637	DLPSCFABAXQHEM-JSGCOSHPSA-N	306.431	2.198	70	20	DEID	
CCc1ccc(/C=C/C(=O)N2CCC(CC(=O)NC)CC2)o1	160669221	WALFRPRVYFVWGQ-VOTSOKGWSA-N	304.390	2.230	70	20	DEID	
CCCn1c(C)nnc1CN(CCO)[C@@H]1CCc2ccccc21	160686896	LVTQSMXRXCYFPN-QGZVFWFLSA-N	314.433	2.478	70	20	DEID	
C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1cc(F)cc2cccnc12	160910295	ZTFZIDGDOUYQOA-PWSUYJOCSA-N	315.348	2.100	70	20	DEID	
C[C@@H]1CC[C@H](NC(=O)c2cc(C(N)=O)cn2C)c2ccccc21	159609605	DYNSXHIPXIPBCG-ABAIWWIYSA-N	311.385	2.492	70	20	DEID	
C[C@H](O)[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)N(C)CCO3)C1	159637882	ZIGGHEJGTYATKU-QWHCGFSZSA-N	319.405	2.140	70	20	DEID	
C[C@H](O)CN(C)[C@@H](C)C(=O)Nc1cccc(Br)c1	159503747	SOCPQFFLTBOFMD-UWVGGRQHSA-N	315.211	2.089	70	20	DEID	
COc1ccc(CNC(=O)N(C)C[C@@H]2CCC[C@H]2O)c(OC)c1	159700246	DCCKTZSWXKHAMO-DZGCQCFKSA-N	322.405	2.006	70	20	DEID	
CCOC(=O)CCNC(=O)Nc1cc(Cl)ccc1OC	217283287	YKHMWLZVYVLSCK-UHFFFAOYSA-N	300.742	2.423	70	20	DEID	
O=C(CNCC1CC1)N1CC[C@H](COCc2ccccc2)C1	161326579	YMICCDOHWORYJW-KRWDZBQOSA-N	302.418	2.051	70	20	DEID	
COC1([C@H](C)NC(=O)c2ccc(S(=O)(=O)F)cc2)CCC1	864244027	JBAOMBIDQBRAAH-JTQLQIEISA-N	315.366	2.032	70	20	DEID	
Cc1cccc2c1CCN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C2	1120944407	MLEAHISQSUXNLH-UHFFFAOYSA-N	322.361	2.180	70	20	DEID	
CN(C)[C@H]1C[C@@H](Nc2ccc(S(=O)(=O)F)cn2)C12CCC2	1550631202	NYIJZWKQQWLXQF-NEPJUHHUSA-N	313.398	2.025	70	20	DEID	
C[C@@H](Cc1ccc(Cl)cc1)C(=O)NCC(=O)N1CCCC1	161305225	TVPXFCYTYNCBFQ-LBPRGKRZSA-N	308.809	2.257	70	20	DEID	
CCCN(CC)c1ccc(C(=O)NCC[C@H](O)COC)cc1	161342221	LRTQGWLJXZCFDG-INIZCTEOSA-N	308.422	2.050	70	20	DEID	
Cc1ccccc1[C@H]1CN(C(=O)C[C@H]2COC(=O)C2)[C@@H](C)CO1	161367573	LSYKJWFAINDNCB-SQWLQELKSA-N	317.385	2.237	70	20	DEID	
Cc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)cn1	161395320	VWUNYCUSGWZYNI-ZDUSSCGKSA-N	319.405	2.471	70	20	DEID	
O=C(c1ccc(-c2ccc3c(c2)OCCO3)s1)N1CC(O)C1	161448177	HQBAEJZWQPMRRS-UHFFFAOYSA-N	317.366	2.003	70	20	DEID	
Cc1ccnc(N2CCN(Cc3nccn3C(F)F)CC2)c1	161452710	HSPQLSXVFMIBHM-UHFFFAOYSA-N	307.348	2.304	70	20	DEID	
CCC(=O)N1CC[C@H](C(=O)NCCCCc2nc(C)cs2)C1	161467380	BXVCKPORCNJROO-ZDUSSCGKSA-N	323.462	2.149	70	20	DEID	
CCc1ccc([C@@H](C)CC(=O)N[C@@H]2CCN(C(N)=O)C2)cc1	160017963	AFOGCGZQPLIMET-SWLSCSKDSA-N	303.406	2.012	70	20	DEID	
CN(C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCOC1	160066174	HNBMITXOFBQGSH-KGLIPLIRSA-N	303.324	2.330	70	20	DEID	
O=C(NC[C@@H]1CCOC1)Nc1ccc(O[C@H]2CCOC2)cc1	160143710	NTXNGQALPYBBJT-WFASDCNBSA-N	306.362	2.012	70	20	DEID	
Cc1ccc(NC(=O)C(=O)NCCn2cccc2)c2cccnc12	160189532	VOATYOKAYCARDA-UHFFFAOYSA-N	322.368	2.100	70	20	DEID	
Cc1conc1NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	160226554	SVUYUVHKMQFKDZ-UVWXRNBGSA-N	305.378	2.253	70	20	DEID	
Cc1conc1NC(=O)C(=O)N1CCC(c2ccccc2)CC1	160365900	OXLWAJLZNACKFJ-UHFFFAOYSA-N	313.357	2.328	70	20	DEID	
CCCCNC(=O)C[S@@](=O)c1ncc(C(C)(C)C)s1	160530714	VKWMVWYAGZIPMZ-IBGZPJMESA-N	302.465	2.465	70	20	DEID	
CSCC[C@@H](N)C(=O)N[C@@H](C)c1cccc(-n2cccn2)c1	160575658	IEPWNAHLRQHTNQ-SWLSCSKDSA-N	318.446	2.130	70	20	DEID	
COc1ccc(S(C)(=O)=O)cc1C(=O)NCc1ccccc1	160596595	LWDDPAGTTZLITP-UHFFFAOYSA-N	319.382	2.029	70	20	DEID	
COC(=O)CN(C(=O)c1cccc2cn[nH]c12)C1CCCC1	160825349	LDBPXEDKUJWPKF-UHFFFAOYSA-N	301.346	2.121	70	20	DEID	
CCCCNC(=O)C(=O)Nc1cnn(-c2ccccc2F)c1C	159919143	MZFLOKRFJSPTAY-UHFFFAOYSA-N	318.352	2.175	70	20	DEID	
CC(C)CC1(CNC(=O)N2CCC[C@@H]2C(=O)NC2CC2)CC1	159759272	MBEIMTSIECDKCY-CQSZACIVSA-N	307.438	2.265	70	20	DEID	
Cc1ccc(NC(=O)[C@@H]2O[C@H](C)C[C@H]2C)cc1S(=O)(=O)F	857674004	OOFNUUFZIUABSU-GIPNMCIBSA-N	315.366	2.405	70	20	DEID	
CO[C@H](CC(C)C)C(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	857672895	LLNRWCWXUAPPHX-LLVKDONJSA-N	321.345	2.484	70	20	DEID	
O=C(c1ccc(S(=O)(=O)F)cc1)N1CCC[C@H](CF)C1	893416761	RLHHJVZMUQIIRO-SNVBAGLBSA-N	303.330	2.167	70	20	DEID	
CC[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@H]1CC1(C)C	1338818145	RXKLFGUONHQEPD-ZJUUUORDSA-N	302.371	2.227	70	20	DEID	
COc1ccc(F)c(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)c1	1516690389	UDAITBHYFBOEDU-UHFFFAOYSA-N	316.285	2.073	70	20	DEID	
O=C1C[C@H](CC(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)CO1	161179670	WGQDRWJGRBOBEA-HOTGVXAUSA-N	317.385	2.147	70	20	DEID	
CCC(CC)(CN)C(=O)N1CCN(C(=O)C2CCCCC2)CC1	161197845	HVOPLPURRFZREE-UHFFFAOYSA-N	323.481	2.003	70	20	DEID	
Cc1nc(O)ccc1C(=O)NCCOc1ccc(F)c(F)c1	161461530	DDUAWOFJAJUCHD-UHFFFAOYSA-N	308.284	2.183	70	20	DEID	
CS[C@@H](C)CC(=O)Nc1cccc(OCC(=O)N(C)C)c1	160112678	ILHKVKHRPANBEQ-NSHDSACASA-N	310.419	2.234	70	20	DEID	
Cc1cc(C(=O)N(C)CC[C@H](C)O)nn1-c1ccc(F)cc1F	160136411	RBYDNWJYYAVDKR-NSHDSACASA-N	323.343	2.302	70	20	DEID	
O=C(NOCc1cccnc1)N1CCc2cccc(F)c2C1	160161490	DTWSQTPNDSTZAF-UHFFFAOYSA-N	301.321	2.420	70	20	DEID	
CCC(=O)c1cccc(NC(=O)CCN2CCN(CC)CC2)c1	160743801	OUTWUGROSHRWJD-UHFFFAOYSA-N	317.433	2.245	70	20	DEID	
COc1ccc(CN(C)Cc2cc(C(N)=O)cs2)c(OC)c1	160838855	URONTVRCUAALMU-UHFFFAOYSA-N	320.414	2.496	70	20	DEID	
COC(=O)c1csc(NC(=O)N2CCN(CC3CC3)CC2)c1	160936640	WDDWLSIVGDJONF-UHFFFAOYSA-N	323.418	2.094	70	20	DEID	
CCc1ccc(CN2CCCC[C@H]2CCNS(C)(=O)=O)o1	159412347	NLHNZIPGGFHIMN-ZDUSSCGKSA-N	314.451	2.136	70	20	DEID	
CNC(=O)CCCN(C)C(=O)Nc1cc(Cl)ccc1OC	159812252	HFWBTDUFDRCNFS-UHFFFAOYSA-N	313.785	2.339	70	20	DEID	
CC(C)CN(CC(N)=O)C(=O)c1ccc(OC(F)(F)F)cc1	159814946	DZVXMPZNRKOKLP-UHFFFAOYSA-N	318.295	2.169	70	20	DEID	
COc1ccccc1S(=O)(=O)N[C@H](C)Cc1c(C)noc1C	159856611	IMXJQWFSHFYYSQ-SNVBAGLBSA-N	324.402	2.210	70	20	DEID	
C[C@H]1C[C@@H](C)CN(CCCNC(=O)[C@@H](O)c2ccccc2)C1	159666437	GDNDWSDXFIWWLD-UXLLHSPISA-N	304.434	2.204	70	20	DEID	
Cn1ccc(CNC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1	218175586	SHYMIGOZMKOETP-ZDUSSCGKSA-N	308.426	2.157	70	20	DEID	
CC[C@@H](C)N(C)CCNS(=O)(=O)c1c(C)cc(F)cc1C	217910064	SAGHIBXLPGPETJ-CYBMUJFWSA-N	316.442	2.451	70	20	DEID	
COc1ccc(OC)c(S(=O)(=O)N2[C@H]3C=CC[C@H]2CC3)c1	218759490	GGAPLTCMQAHSBZ-RYUDHWBXSA-N	309.387	2.185	70	20	DEID	
CN(Cc1cscn1)C(=O)c1ccc(S(=O)(=O)F)cc1	864240072	NXCRBIPFQIJIBT-UHFFFAOYSA-N	314.363	2.074	70	20	DEID	
C[C@H]1CC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H](C)C1	1262732402	GOHCUOXCBQAEQJ-RKDXNWHRSA-N	302.371	2.227	70	20	DEID	
Cn1ccc2c(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)cccc21	1348695841	HWGZYZBRYUCDMN-UHFFFAOYSA-N	321.333	2.417	70	20	DEID	
CSc1nc(C(C)C)nc(C)c1C(=O)N[C@H]1CCC[C@@H]1O	161122682	JOANXUYYWCRZCF-QWRGUYRKSA-N	309.435	2.274	70	20	DEID	
CNC[C@H]1CCCN1C(=O)c1nn(-c2ccccc2)c2c1CCC2	161218690	LSIDHGILOMTQPX-OAHLLOKOSA-N	324.428	2.185	70	20	DEID	
O=C(N[C@@H]1CCN(c2ccccn2)C1)c1cc2ccccn2c1	161286758	IDZQSUSOHUSKCP-OAHLLOKOSA-N	306.369	2.343	70	20	DEID	
CCc1nccn1[C@@H]1CCCN(C(=O)C(CC)(CC)CN)C1	161290668	PQKXTIZPVAITPX-CQSZACIVSA-N	306.454	2.374	70	20	DEID	
COC[C@H](O)CCNC(=O)CSc1ccc2ccccc2c1	161311668	AJUXYPIACGERAP-OAHLLOKOSA-N	319.426	2.446	70	20	DEID	
C[C@H]1CCCN(C(C)(C)CNC(=O)[C@H](O)c2ccccc2)C1	161400649	DQBYRVJAQMRWJR-GOEBONIOSA-N	304.434	2.347	70	20	DEID	
Cc1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)n1	161408175	HLOUMQXYLDSILN-ZDUSSCGKSA-N	319.405	2.471	70	20	DEID	
CCOCCC1(CNC(=O)NCC(=O)Nc2ccccc2)CC1	161486282	BPXUXZPNKVPJAO-UHFFFAOYSA-N	319.405	2.131	70	20	DEID	
CNC(=O)c1ccc(CNC(=O)NC[C@]2(C)CCCS2)cc1	160053686	AGVKIHQXGJQHSH-INIZCTEOSA-N	321.446	2.131	70	20	DEID	
Cn1cnc2cc(C(=O)N[C@@H]3C[C@@H]3c3cccc(F)c3)cnc21	160255497	ZTGXAOMVEWBDDR-ZIAGYGMSSA-N	310.332	2.393	70	20	DEID	
COCCCn1ccc(NC(=O)c2ccnc(Cl)c2F)n1	160408376	QIEUIIKUZVGMJT-UHFFFAOYSA-N	312.732	2.359	70	20	DEID	
COc1cc(NC(=O)c2ccnn2C(C)C)ccc1NC(N)=O	160847782	JFEMJZUDXYNRQT-UHFFFAOYSA-N	317.349	2.216	70	20	DEID	
C[C@@H](CC(=O)c1cccs1)NC(=O)[C@H](C)NC(=O)C(C)(C)C	160880723	NGZNGMATCZUJBY-QWRGUYRKSA-N	324.446	2.376	70	20	DEID	
C[C@@H](CCO)CNC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1	160901092	OQWHLVREWFPVAM-BPUTZDHNSA-N	306.406	2.224	70	20	DEID	
COc1ccccc1[C@@H](N)C(=O)NCCNC1CCCCCC1	159669977	DUIVWTTWIWMCMH-QGZVFWFLSA-N	319.449	2.124	70	20	DEID	
COCCOc1ccc(NC(=O)[C@H]2CCC(=O)C[C@@H]2C)cn1	159911237	LDSWXDOARGDMMT-FZMZJTMJSA-N	306.362	2.051	70	20	DEID	
CC(C)CCOCCNC(=O)Nc1ccnn1C[C@H]1CCOC1	159521948	LMQRPICSTGJNCC-CQSZACIVSA-N	324.425	2.104	70	20	DEID	
CN(C)CCN(C(=O)NCCc1cccnc1)C1CCCC1	159923599	CAKKIBHRFVPWFO-UHFFFAOYSA-N	304.438	2.140	70	20	DEID	
O=S(=O)(Cc1ccccc1F)NC[C@@H](O)C1CCCCC1	159546254	MSJRYIZZGBJLHK-OAHLLOKOSA-N	315.410	2.186	70	20	DEID	
C[C@H](c1ccco1)N(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1346040544	JCHPADADDBSVQE-MRVPVSSYSA-N	300.311	2.099	70	20	DEID	
CSCC[C@@H](N)C(=O)Nc1ccc(-n2cc(C)cn2)c(F)c1	161233574	PXEZLVQOMFLHRS-CYBMUJFWSA-N	322.409	2.339	70	20	DEID	
CN(CCCc1cc(-c2ccccc2)n[nH]1)Cc1nncn1C	161241599	LHXFFCGEUNZKNW-UHFFFAOYSA-N	310.405	2.270	70	20	DEID	
COc1ccc(CCCC(=O)N[C@H]2CC[C@H](O)CC2)c(OC)c1	161463825	HEXOJGXVTKELDL-GASCZTMLSA-N	321.417	2.446	70	20	DEID	
COC(=O)C[C@H](C)C(=O)NC1CCC(N2CCC(C)CC2)CC1	161488487	SRBKNBAHAFVTCG-FHERZECASA-N	324.465	2.345	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)COc1ccc(Cl)cc1C	160034262	XDNCHEQRVUBHTQ-NSHDSACASA-N	313.781	2.485	70	20	DEID	
Cn1cnnc1[C@@H]1CCCN(C(=O)c2c(F)cc(F)cc2F)C1	160329116	YDKOJLCKQKOGCL-SECBINFHSA-N	324.306	2.252	70	20	DEID	
COCCCN(C)C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1	160359082	LWDPJXNIKBIBLJ-OAHLLOKOSA-N	308.378	2.355	70	20	DEID	
CCCN(CC1CC1)C(=O)NCc1c(CC)c(CC)n[nH]c1=O	160493706	DZYGLGGBMIQNSB-UHFFFAOYSA-N	320.437	2.226	70	20	DEID	
COC(=O)NCCCC(=O)O[C@H](c1ccccn1)C(F)(F)F	160511759	VHUPOMUFQLUTET-LLVKDONJSA-N	320.267	2.364	70	20	DEID	
COCCOc1ccc(NC(=O)N[C@H]2CC[C@H](O)CC2)cc1	160651873	XRRYIFBUSIJACE-XBXGTLAGSA-N	308.378	2.137	70	20	DEID	
CCO[C@H](CC)C(=O)Nc1cccn(CC(F)(F)F)c1=O	159620293	XUFQSJNZTJDEIN-SNVBAGLBSA-N	306.284	2.164	70	20	DEID	
Cc1nn(C)c(C)c1CNC(=O)NC[C@H](C)c1c(C)noc1C	159621224	HAIIUIOXCHCJIC-VIFPVBQESA-N	319.409	2.245	70	20	DEID	
CC[C@@H](C)NC(=O)C(=O)Nc1cc(C)ccc1-n1cc(C)cn1	159908438	HKTIEYGXVXRGMY-CYBMUJFWSA-N	314.389	2.342	70	20	DEID	
NC1(CNC(=O)c2c(Cl)nc3ccccn23)CCCCC1	159570257	GBZKBWZIDSAYFH-UHFFFAOYSA-N	306.797	2.379	70	20	DEID	
CCCNC(=O)[C@H](C)N1CCO[C@]2(CCc3ccccc32)C1	159570986	PPTUDGTVAPDZFA-KBXCAEBGSA-N	302.418	2.075	70	20	DEID	
CC1(C)CCCC[C@@H]1NC(=O)N1CCC[C@H]1C(=O)NC1CC1	159788283	WNGDUHBOAQMVAT-KBPBESRZSA-N	307.438	2.408	70	20	DEID	
O=C(Nc1cccc(S(=O)(=O)F)c1)C1(CF)CCOCC1	460095883	SYGMDBSKTXGYMY-UHFFFAOYSA-N	319.329	2.050	70	20	DEID	
O=C(OC[C@@H]1C[C@H]2CC[C@H]1O2)c1ccc(S(=O)(=O)F)cc1	490538154	XBVWZUOKBSABKK-DMDPSCGWSA-N	314.334	2.069	70	20	DEID	
CC[C@](C)(OC)C(=O)Nc1ccc(C)c(S(=O)(=O)F)c1	857674326	WBUVCFUKTXHWHF-ZDUSSCGKSA-N	303.355	2.407	70	20	DEID	
CCN(CC(=O)Nc1c(C)cccc1C)C(=O)CC1(N)CCC1	161062453	BJVAXBCKXRVIPC-UHFFFAOYSA-N	317.433	2.362	70	20	DEID	
C[C@H](Cc1ccccc1F)C(=O)N(C)CCN1CCCC1=O	160002840	UNBGYCMZZSLWQT-CYBMUJFWSA-N	306.381	2.085	70	20	DEID	
C[C@@H]1CCCC[C@H]1OCCNC(=O)[C@@H]1CCn2ccnc2C1	160018965	VEDFHQFPYIYUCD-RBSFLKMASA-N	305.422	2.157	70	20	DEID	
CCOCCC1(CNC(=O)N[C@H](C)C(C)(C)CN(C)C)CC1	160030038	ZIZNHGXTBZZJFB-CQSZACIVSA-N	313.486	2.469	70	20	DEID	
CC(C)OC(=O)CCCNC(=O)NCC1(O)CCCCCC1	160206121	ZZTKFACZVAFHCE-UHFFFAOYSA-N	314.426	2.103	70	20	DEID	
C[C@@H](CNC(=O)Cc1c[nH]c2cc(F)ccc12)Cn1cccn1	160325700	ICDPYXHMHQCGJL-LBPRGKRZSA-N	314.364	2.499	70	20	DEID	
CC(C)[C@H](CCO)NC(=O)c1cccc(NC(=O)NC2CC2)c1	160508879	QRJVVKMYQYGXPN-HNNXBMFYSA-N	319.405	2.107	70	20	DEID	
COC[C@@H](NC(=O)Nc1ccc([S@@](C)=O)c(F)c1)C1CC1	160577368	DHUAUCUYUCBSPE-GTJPDFRWSA-N	314.382	2.110	70	20	DEID	
CCOCCO[C@H](C)C(=O)N[C@H]1CCOC2(CCCCC2)C1	160719788	AVCBGYPMAYZBBO-CABCVRRESA-N	313.438	2.426	70	20	DEID	
CCCCN(C)c1ccc(C(=O)NCC[C@@H](O)COC)cc1	160851435	HAPPKUPRWZVGEL-MRXNPFEDSA-N	308.422	2.050	70	20	DEID	
CC[C@@H]1CCCC[C@H]1N(C)C(=O)c1nc2nccc(C)n2n1	160957127	VDCHZUDMWHAMGQ-CHWSQXEVSA-N	301.394	2.474	70	20	DEID	
COc1ccccc1OCCC(=O)NC[C@H](O)c1ccsc1	159647987	XVEBMGYPZSOARW-ZDUSSCGKSA-N	321.398	2.375	70	20	DEID	
Nc1ccc2c(c1)CCC[C@H]2NS(=O)(=O)c1cccnc1	159452332	FKRFFFZIMRYXSC-OAHLLOKOSA-N	303.387	2.020	70	20	DEID	
CCCCn1ncc(NC(=O)N2CC[C@@H](N3CC=CC3)C2)c1C	159856887	CFMGROBZCXBXII-OAHLLOKOSA-N	317.437	2.470	70	20	DEID	
CC(C)[C@@H]1N(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1(C)C	1123828270	GEDXAAFVNIPGSO-NSHDSACASA-N	302.371	2.180	70	20	DEID	
C[C@@H](CC#N)N(C)C(=O)CCc1ccc(S(=O)(=O)F)cc1	1339291982	ZZCVYLRFQFBWRI-NSHDSACASA-N	312.366	2.038	70	20	DEID	
CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NCc2cnc(C)s2)C1	161042907	AMIXFBYABUXLET-AAEUAGOBSA-N	323.462	2.352	70	20	DEID	
CCCN(CC(=O)NC)C(=O)[C@H]1C[C@H]1c1cccc(F)c1F	161388478	JBPDZAJGOBVCRZ-RYUDHWBXSA-N	310.344	2.053	70	20	DEID	
C[C@@H](CSCc1ccccc1)C(=O)N1CCC[C@@H]1C(N)=O	161450252	YCNHIXDSNLSOSI-GXTWGEPZSA-N	306.431	2.032	70	20	DEID	
O=C(Nc1ccccc1)Nc1ccc(C(=O)N2CC(O)C2)s1	161492580	NEEBYSZMDZKBSE-UHFFFAOYSA-N	317.370	2.209	70	20	DEID	
CC(C)(C)S(=O)(=O)CC(=O)Nc1ccc(-n2cccn2)cc1	160065917	ASGIVPFHPROGMK-UHFFFAOYSA-N	321.402	2.024	70	20	DEID	
C[C@@H](C(=O)NCC1CCN(CCN(C)C)CC1)c1cccs1	160142782	IEMJMUQRMMSVQM-CQSZACIVSA-N	323.506	2.241	70	20	DEID	
CC(C)c1nc(N[C@@H]2CCO[C@@H](C3CC3)C2)nc(N(C)C)n1	160406097	ADAMCZIAXUTTKK-CHWSQXEVSA-N	305.426	2.431	70	20	DEID	
C[C@H]1CCCC[C@@H]1NC(=O)CCCNC(=O)c1cccnc1	159637304	WPTMJUHDAQJTJQ-ZFWWWQNUSA-N	303.406	2.287	70	20	DEID	
C[C@H]1C[C@H](NC(=O)N2CCSCC2)CN1Cc1ccccc1	159845740	XRYTVXDQYGRAOD-HOCLYGCPSA-N	319.474	2.408	70	20	DEID	
Cc1onc(-c2ccncc2)c1C(=O)NCC[C@H](O)C(C)C	159465375	PNHADUABUMKXFF-ZDUSSCGKSA-N	303.362	2.182	70	20	DEID	
C[C@@H](CNC(=O)N(C)CC1CCOCC1)CN1CCCCC1	159756709	FXFGRSNRNDMARS-HNNXBMFYSA-N	311.470	2.176	70	20	DEID	
COCCCN(CCOC)C(=O)c1ccc(N(C)C)cc1F	159968530	OJMYYWKAMLONLQ-UHFFFAOYSA-N	312.385	2.017	70	20	DEID	
CC(C)N(C)C(=O)CN1CCO[C@@]2(CCc3ccccc32)C1	159589440	CHQBQYOZBPCRPM-SFHVURJKSA-N	302.418	2.027	70	20	DEID	
CCN(CCNC[C@@H](O)COc1ccccc1Cl)C1CC1	218430210	HQQODSKJUJPTLJ-CQSZACIVSA-N	312.841	2.154	70	20	DEID	
COC[C@H](NC(=O)Nc1ccc2oc(N(C)C)nc2c1)C1CC1	161120190	UPKIIYYILVMPAU-ZDUSSCGKSA-N	318.377	2.440	70	20	DEID	
Cc1noc(C)c1N(C)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1	161313834	FCSHQIHBCHXDFT-ZDUSSCGKSA-N	319.365	2.335	70	20	DEID	
COC(=O)C(C)(C)NC(=O)Cc1cccc(OC(F)(F)F)c1	161324145	KAJYOIRHGSHYIG-UHFFFAOYSA-N	319.279	2.196	70	20	DEID	
CC(=O)c1csc(C(=O)N[C@@H]2CCN(c3ccccn3)C2)c1	161392610	SRKKEFRQJMQOQJ-CYBMUJFWSA-N	315.398	2.354	70	20	DEID	
COc1ccc(N(C)C(=O)c2ccn(C)c(=O)c2)cc1Cl	160003279	BTGBTHQWBCVFAX-UHFFFAOYSA-N	306.749	2.324	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)CCc1c(C)noc1Cl	160078166	PTTUTPIRLJAUQY-MRVPVSSYSA-N	302.758	2.027	70	20	DEID	
Cc1nc(NC(=O)c2ccc(N3CCCC3)nn2)cc(C2CC2)n1	160137201	JSGBCWJLNXBVJM-UHFFFAOYSA-N	324.388	2.305	70	20	DEID	
NC[C@@H]1CCCN1C(=O)/C=C/c1cc(Cl)c2c(c1)OCCO2	160138005	NSHZCEYTGDDUQA-PCAWENJQSA-N	322.792	2.074	70	20	DEID	
O=C(CNC(=O)c1cccs1)N[C@H]1CCOC2(CCCC2)C1	160173991	OCVJPNQUZGXCSR-LBPRGKRZSA-N	322.430	2.086	70	20	DEID	
COc1ccc(N(C)C(=O)[C@@H]2CCN(C)C(=O)C2)cc1Cl	160226809	PCZWHQAJQKYTML-SNVBAGLBSA-N	310.781	2.180	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)c1sccc1OC(F)F	160229714	GMKHEDOZSQFQNP-SSDOTTSWSA-N	307.318	2.421	70	20	DEID	
NC(=O)c1cnc(N2CCC[C@@H]2CN2CCCCC2)c(Cl)c1	160462339	NLJDQVNECDXRDV-CYBMUJFWSA-N	322.840	2.289	70	20	DEID	
CCc1ccc(CNC(=O)CS(=O)(=O)C(C)(C)C)s1	160479397	HNWDMXKNQSICTL-UHFFFAOYSA-N	303.449	2.140	70	20	DEID	
O=C(CNC[C@H]1CCCO1)Nc1ccc(F)cc1OCC1CC1	160678373	MMXGWXZIYXIBLR-CQSZACIVSA-N	322.380	2.322	70	20	DEID	
CCc1cc(O)nc(CN(C)Cc2ccc(C(=O)OC)cc2)n1	160784755	QRZKADLYYRLVLK-UHFFFAOYSA-N	315.373	2.163	70	20	DEID	
Cc1ccc(C(=O)NC2CC2)cc1NC(=O)N[C@@]1(C)CCOC1	160866115	LWRQEXKLQIEJKK-KRWDZBQOSA-N	317.389	2.188	70	20	DEID	
C[C@@H]1C[C@@H](C)CN(C(=O)CCCNC(=O)c2cccnc2)C1	160934938	QWNQSZFRJZCREZ-ZIAGYGMSSA-N	303.406	2.096	70	20	DEID	
CC1CCN(CCCCNC(=O)[C@H](O)c2ccccc2)CC1	159605712	LGXBCVADGQFNDZ-QGZVFWFLSA-N	304.434	2.348	70	20	DEID	
CC(C)(C)c1nsc(NCC2(CS(C)(=O)=O)CC2)n1	159829484	YASGIWWTRFQGJR-UHFFFAOYSA-N	303.453	2.072	70	20	DEID	
C[C@@H]1C[C@H](NC(=O)N2CCSCC2)CN1Cc1ccccc1	159845613	XRYTVXDQYGRAOD-ZBFHGGJFSA-N	319.474	2.408	70	20	DEID	
CN([C@H](CN)C1CC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1	159912291	MHAMUXIUPXWSTO-GFCCVEGCSA-N	322.352	2.063	70	20	DEID	
COC(=O)C(C)(C)CNC(=O)c1cnn(CC(C)C)c1C1CC1	159725374	ZTIPPZPHGZEYKW-UHFFFAOYSA-N	321.421	2.346	70	20	DEID	
CO[C@](C)(C(=O)NC[C@@H](O)c1ccsc1)c1ccccc1	159555840	HQPXQRHNUSLNQN-ZBFHGGJFSA-N	305.399	2.460	70	20	DEID	
C[C@@H]1CSc2ccccc2N(C(=O)CN2CSCC2=O)C1	159559964	VPCKLIOZNHQXTI-NSHDSACASA-N	322.455	2.294	70	20	DEID	
COC(C)(C)CC(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	857674770	PICIRKKXVQGFAS-UHFFFAOYSA-N	307.318	2.238	70	20	DEID	
C[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC12CCC2	1346642972	WTXCXEJPJBUUOL-JTQLQIEISA-N	314.382	2.325	70	20	DEID	
COC[C@@H](C)NC(=O)C(=O)Nc1ccccc1SC(C)C	161067521	PDWOCNMCMUBHMU-LLVKDONJSA-N	310.419	2.277	70	20	DEID	
O=C(Nc1ccc(OC2CCCC2)c(F)c1)[C@@H]1CNCCO1	161335666	MJGSKOWHRRKAMG-HNNXBMFYSA-N	308.353	2.074	70	20	DEID	
C[C@]1(C(=O)Nc2ccc(CN3CCCC3=O)cc2)CCCNC1	161354850	SWBMXUBIYGQGGH-SFHVURJKSA-N	315.417	2.137	70	20	DEID	
Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)C1(NC(N)=O)CC1	161433717	XPCVYFCNXWJNQV-JTQLQIEISA-N	324.450	2.295	70	20	DEID	
CSc1nsc(NC(=O)CSCC(F)(F)F)n1	160094348	WQMYZAFLYATBHB-UHFFFAOYSA-N	303.356	2.494	70	20	DEID	
COC(=O)c1ccc(F)c(NC(=O)N(C)CC2(O)CCCC2)c1	160105979	AFIRAYUQDSAHIB-UHFFFAOYSA-N	324.352	2.381	70	20	DEID	
CC1(C)CCCC[C@@H]1CC(=O)N[C@H](CC(N)=O)C1CCOCC1	160282889	VZYRPUGDFQFLPK-HUUCEWRRSA-N	324.465	2.380	70	20	DEID	
Cn1cnnc1[C@H]1CCCN(C(=O)c2c(F)cc(F)cc2F)C1	160329241	YDKOJLCKQKOGCL-VIFPVBQESA-N	324.306	2.252	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)Cc1ccccc1OC(C)C	160468853	UUZAAZOXKUBPBK-CYBMUJFWSA-N	307.390	2.474	70	20	DEID	
C[C@@H](N[C@@H]1CCN(C2CCOCC2)C1=O)c1cccc(F)c1F	159486871	PCDNAYSUMWYVQZ-IAQYHMDHSA-N	324.371	2.395	70	20	DEID	
Cc1nccc(NC(=O)NCc2ccc(C(N)=O)cc2)c1Cl	159584772	XSDSWMICYDPOIN-UHFFFAOYSA-N	318.764	2.464	70	20	DEID	
CSC[C@@](C)(O)CNC(=O)CCOc1c(C)cccc1C	217671671	BHIZEMKPPSQWHL-INIZCTEOSA-N	311.447	2.303	70	20	DEID	
CO[C@@H](C)CCC(=O)Nc1ccc(F)c(CS(=O)(=O)F)c1	876319484	YSGFQPJYNHOELF-VIFPVBQESA-N	321.345	2.379	70	20	DEID	
C[C@H]1C[C@H]1CNc1ccc([N+](=O)[O-])cc1CS(=O)(=O)F	881807835	FYYCELFXKHYBRS-IUCAKERBSA-N	302.327	2.462	70	20	DEID	
COC(C)(C)CNC(=O)c1cc(S(=O)(=O)F)ccc1Cl	1338804434	XYQHZWSPRBKYSO-UHFFFAOYSA-N	323.773	2.153	70	20	DEID	
COc1ccccc1CNC(=O)c1cccc(S(=O)(=O)F)c1	1515237367	KXTMJPORDFOWTH-UHFFFAOYSA-N	323.345	2.283	70	20	DEID	
CC(C)[C@H](N)C(=O)Nc1ccc(OCC2CCOCC2)cc1	161036120	QLOFIXDEQJMYAT-INIZCTEOSA-N	306.406	2.414	70	20	DEID	
COc1ccccc1CCNC(=O)N[C@@H]1CCOC(C)(C)C1	161048301	BWPXLLQPTYSMGI-CQSZACIVSA-N	306.406	2.495	70	20	DEID	
O=C(N[C@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CCCCO1	161471504	DXJYKAWZTSLSLK-IRXDYDNUSA-N	302.418	2.336	70	20	DEID	
CN(C(=O)Nc1ccccc1Cn1cncn1)[C@@H]1CCSC1	161471592	WSEHEFIGKXPFQR-CYBMUJFWSA-N	317.418	2.296	70	20	DEID	
Cc1cnc(NC(=O)N[C@@H]2CCN(c3ccccn3)C2)s1	160080402	BHDBCLZFTWHVHV-LLVKDONJSA-N	303.391	2.247	70	20	DEID	
CCCCn1ncc(NC(=O)N2CCC[C@@H](C(=O)OC)C2)c1C	160088602	QCYDZLLPLPCIMS-CYBMUJFWSA-N	322.409	2.409	70	20	DEID	
CNC(=O)c1cccc(CNC(=O)N2CC[C@H](C)[C@@H](C)C2)c1	160477847	TUIMXOARRCKWBU-STQMWFEESA-N	303.406	2.234	70	20	DEID	
CC(C)S(=O)(=O)CCCN(C)Cc1ccc2c(c1)OCO2	160563176	NJRYHQZTLKQLBO-UHFFFAOYSA-N	313.419	2.060	70	20	DEID	
CC(C)NCCC(=O)N[C@H](C)c1cccc(-n2cccn2)c1	160569812	AXJZLWDWGCNQKI-CQSZACIVSA-N	300.406	2.438	70	20	DEID	
O=C1CC[C@H]2CN(C(=O)Cc3cccc(Cl)c3)CC[C@@H]2N1	160587229	HYKZDWYLFQCKLC-JSGCOSHPSA-N	306.793	2.010	70	20	DEID	
COc1cc(N(C)C(=O)[C@@H](N)CC(C)C)cc(OC)c1OC	160853496	MRCIINYWWWBTMD-LBPRGKRZSA-N	310.394	2.049	70	20	DEID	
Cc1ccccc1CNC(=O)NCCNC(=O)OC(C)(C)C	160999099	CTYGCCDOAPSFOJ-UHFFFAOYSA-N	307.394	2.319	70	20	DEID	
CC(C)CNC(=O)[C@H](C)Nc1ccccc1O[C@H]1CCOC1	159923928	OMSDOUVKNVCLCM-KBPBESRZSA-N	306.406	2.427	70	20	DEID	
Cc1ccc([C@H](O)CNS(=O)(=O)c2ccc(C)c(F)c2)cc1	159387239	ISRSTAJXEIVDNS-MRXNPFEDSA-N	323.389	2.454	70	20	DEID	
CC(C)OC(=O)CCCNC(=O)N[C@@H](C)Cc1ccc(O)cc1	159578042	COLXPUZVJJCKRM-ZDUSSCGKSA-N	322.405	2.354	70	20	DEID	
Cc1nc2c(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)cccc2o1	1337489469	ASOVWQATNVURIQ-UHFFFAOYSA-N	323.305	2.375	70	20	DEID	
O=C(N[C@H]1CCC[C@H](F)C1)c1cccc(S(=O)(=O)F)c1	1349545993	GZAOSCIQICBSCX-QWRGUYRKSA-N	303.330	2.355	70	20	DEID	
O=C(Nc1ccc2c(c1)CCC2)c1cc(S(=O)(=O)F)c[nH]1	1354032020	ONJXFZZHZPUYEA-UHFFFAOYSA-N	308.334	2.414	70	20	DEID	
COc1cccc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)c1F	1517955945	KWLORVNVNZPQKM-UHFFFAOYSA-N	316.285	2.073	70	20	DEID	
O=S(=O)(Cl)Cc1c(C(F)(F)F)nc2n1CCCC2	536956330	ZNTNKLYJRJERQX-UHFFFAOYSA-N	302.705	2.307	70	20	DEID	
CC[C@H]1CCCC[C@@H]1N(C)C(=O)CS(=O)(=O)CC(C)C	161119539	FJXLMDRHUHEXGJ-KBPBESRZSA-N	303.468	2.484	70	20	DEID	
CN(Cc1ccncc1)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2	161126786	HEQLLWGZKJVMOM-KFWWJZLASA-N	301.390	2.181	70	20	DEID	
C[C@]1(c2ccccc2F)NC(=O)N(Cc2nccs2)C1=O	161293258	WFKWODBINLPXAV-CQSZACIVSA-N	305.334	2.249	70	20	DEID	
CC(C)CCOc1ccc(S(=O)(=O)N(C)[C@H](C)CO)cc1	161302710	HKAVJQZFNVEKAZ-CYBMUJFWSA-N	315.435	2.113	70	20	DEID	
Cn1nccc1CSc1nnc(NC[C@@H]2CCCO2)s1	161303795	YNLKJTADAZDXQI-JTQLQIEISA-N	311.436	2.155	70	20	DEID	
C[C@H]1CCCC[C@H]1NC(=O)CSc1ncnc2[nH]cnc12	161351418	AGKFRHAOVMOVEV-VHSXEESVSA-N	305.407	2.140	70	20	DEID	
CC(C)[C@H]1CCCN(C(=O)N[C@H]2CCc3ncnn3C2)CC1	161352520	PFZRPZLIDNLARP-KBPBESRZSA-N	305.426	2.061	70	20	DEID	
C[C@H](O)C[C@@H](CNC(=O)COCC(F)(F)F)c1ccccc1	160037108	NBKDDDSYLCFWSE-AAEUAGOBSA-N	319.323	2.236	70	20	DEID	
Cc1cc(C[C@H](C)NC(=O)c2csc([C@@H]3CCCO3)n2)n[nH]1	160158423	LYBQXQBJXJXCAN-ZANVPECISA-N	320.418	2.387	70	20	DEID	
CC(C)OC(=O)CCCNC(=O)N(C)Cc1ccc(O)cc1	160188523	DQSHGKCHQFIROP-UHFFFAOYSA-N	308.378	2.265	70	20	DEID	
COc1ccc(C)cc1[C@H](C)OC(=O)c1ccc(=O)n(C)n1	160192051	YBQNPLXTDYSWFP-NSHDSACASA-N	302.330	2.015	70	20	DEID	
CC[C@@H](COC)NS(=O)(=O)c1ccc(-c2coc(C)n2)cc1	160301243	ZFCRDUZPODZMJU-ZDUSSCGKSA-N	324.402	2.353	70	20	DEID	
CN(C)c1ncc(CN(C)c2nc(C(C)(C)C)ns2)cn1	160301995	ODEJEQUTZJONRL-UHFFFAOYSA-N	306.439	2.328	70	20	DEID	
CCOC(=O)NCCCC(=O)N[C@@H](CC)c1c(C)noc1C	160427054	YAWUDWPYJOXELD-LBPRGKRZSA-N	311.382	2.385	70	20	DEID	
C[C@@H]1Oc2c(cccc2C(=O)N(C)Cc2cccn2C)NC1=O	160562839	RXYOYFCAZQHGEM-NSHDSACASA-N	313.357	2.017	70	20	DEID	
O=C(NC1CC1)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O	160659539	WXQLTPZGCPOGJQ-LBPRGKRZSA-N	311.744	2.046	70	20	DEID	
CCc1nc2n(n1)C[C@@H](NC(=O)[C@@H](C)c1cccs1)CC2	160705554	SUVPWFNSEZSJRT-QWRGUYRKSA-N	304.419	2.137	70	20	DEID	
CCNC(=O)COc1ccc(N[C@H](C)C(=O)OC(C)(C)C)cc1	160725481	QUMRCXKTSMZGJC-GFCCVEGCSA-N	322.405	2.344	70	20	DEID	
CCn1ccnc1CN1CCN(C(=O)c2ccc(F)cc2)CC1	160754402	OKUKXIFCVSYBQL-UHFFFAOYSA-N	316.380	2.000	70	20	DEID	
COC(=O)CCNC(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)F	159416496	HMLJUHAWBAGVNJ-GHMZBOCLSA-N	313.300	2.071	70	20	DEID	
CC(C)(C)c1nsc(N2CCC[C@H](CN3CCOCC3)C2)n1	159439969	LFLGRDGNHSYJNX-CYBMUJFWSA-N	324.494	2.384	70	20	DEID	
Cc1cc(NC(=O)[C@@H]2CCCNC2)ccc1C(=O)NC(C)C	159497345	HYYYURUTRJRKBY-CYBMUJFWSA-N	303.406	2.071	70	20	DEID	
CCCNC(=O)C(=O)Nc1ccc2c(c1)ncn2-c1ccccc1	159751992	YLZLVPDOQJVZDP-UHFFFAOYSA-N	322.368	2.490	70	20	DEID	
COc1ccc([C@@H](NS(C)(=O)=O)c2ccccc2OC)cc1	159769154	JUEAUWVFNAAWAN-MRXNPFEDSA-N	321.398	2.342	70	20	DEID	
CC(=O)N1CC[C@@H](NC(=O)CSc2ccccc2Cl)C1	159773521	OYOPPODZMHTQOH-LLVKDONJSA-N	312.822	2.169	70	20	DEID	
Cc1cnn(-c2ccc(NC(=O)[C@H]3CC[C@@H](N)C3)cc2F)c1	159775729	XGLWOMPCMWVARB-NWDGAFQWSA-N	302.353	2.386	70	20	DEID	
CC[C@@H](O)CN(Cc1ccccc1)c1cc(Cl)nc(N)n1	161015075	GJMSNZXOYBNQAV-GFCCVEGCSA-N	306.797	2.490	70	20	DEID	
COc1ccc2cc(NC(=O)N3CCO[C@@H](C)C3)ccc2n1	216715383	VPFNWDFVIYGRBA-NSHDSACASA-N	301.346	2.496	70	20	DEID	
CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@@H]1CCC(C)(C)C1	1338815365	LKLSBRBTMYGZJG-SECBINFHSA-N	302.371	2.324	70	20	DEID	
CC(C)Oc1ccc(CNC(=O)NOCc2cccnc2)cn1	161083416	LEKMJWSANZADPH-UHFFFAOYSA-N	316.361	2.195	70	20	DEID	
CC(C)CCOCCNC(=O)N1CCCN(CC(F)F)CC1	161224372	ZIYREFIQZNGGTK-UHFFFAOYSA-N	321.412	2.032	70	20	DEID	
CCN1CCc2ccc(NC(=O)[C@@H]3CCn4ccnc4C3)cc21	161351599	FWDIOPCORVKBMN-CQSZACIVSA-N	310.401	2.467	70	20	DEID	
CCc1c(C(=O)N[C@H]2CCc3ccccc32)[nH]c(C)c1C(N)=O	160155353	RMBFYBINCUTLCV-AWEZNQCLSA-N	311.385	2.402	70	20	DEID	
O=C(NCCn1cccc1)C(=O)Nc1cccc2c1CCCC2	160212472	DKWQSBVAQFLTDH-UHFFFAOYSA-N	311.385	2.122	70	20	DEID	
CN(C)c1ccc(C(=O)N[C@@H]2CCOC3(CCCC3)C2)cn1	160218974	XLSPGDBUNSWHPY-CQSZACIVSA-N	303.406	2.369	70	20	DEID	
COCCOCCN(Cc1ccccc1)C(=O)c1cc(C)no1	160224259	ZOCGWCIMQFQDPA-UHFFFAOYSA-N	318.373	2.288	70	20	DEID	
C[C@H]1[C@@H](C)N(C(=O)N[C@@H]2CCCCC2(C)C)CCS1(=O)=O	160442425	RJIXEWYHPRVENR-FRRDWIJNSA-N	316.467	2.172	70	20	DEID	
C[C@H]1C[C@H](NCc2ccccc2CS(C)(=O)=O)[C@H](C)CN1C	160940542	RVVLLKFOQNRURP-KEYYUXOJSA-N	324.490	2.050	70	20	DEID	
CC(C)CN(CC(N)=O)C(=O)c1cc(F)c(F)cc1Cl	159813203	CCGHVFNGWKVIPH-UHFFFAOYSA-N	304.724	2.202	70	20	DEID	
CCN(CCC(=O)c1ccc(C)cc1)[C@H](C)CS(C)(=O)=O	159657514	AJEJUUFJNQTRBV-CQSZACIVSA-N	311.447	2.323	70	20	DEID	
C[C@H](NC(C)(C)CNC(=O)N[C@H](C)CCO)c1ccccc1	159873531	PJNBMRLRRHKLCH-KGLIPLIRSA-N	307.438	2.186	70	20	DEID	
Cc1cc(C)n2nc(C)c(C(=O)N[C@H](CO)CC(C)(C)C)c2n1	159946632	ZXTDZJQROPQDIL-ZDUSSCGKSA-N	318.421	2.181	70	20	DEID	
Cc1cc(NC(=O)c2ccc(Br)cn2)c[nH]c1=O	159791533	YKBIYMVKIHDYFI-UHFFFAOYSA-N	308.135	2.093	70	20	DEID	
Cc1ccc(NCCCNC(=O)c2cccc3[nH]cnc23)nc1	159795664	YLJDSSPFFQPRLH-UHFFFAOYSA-N	309.373	2.498	70	20	DEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC[C@H]2CCC[C@@H]21	1338389625	LKNCRACHQVSVKX-SKDRFNHKSA-N	300.355	2.078	70	20	DEID	
CO[C@H]1CC[C@@H](OC(=O)c2cccc(S(=O)(=O)F)c2)C1	1349679015	NPUSZYKPNAWUJX-WDEREUQCSA-N	302.323	2.069	70	20	DEID	
CCc1nn(C)c(Cl)c1C(=O)NC[C@H](C)CN1CCCC1	161101370	MLKVJNIMJBVPCJ-NSHDSACASA-N	312.845	2.098	70	20	DEID	
Cc1ccc(C(=O)N[C@@H](C)CC(=O)c2ccc(F)cc2)c(=O)[nH]1	161202181	GCBLNQOEIPGUFK-NSHDSACASA-N	316.332	2.214	70	20	DEID	
C[C@H]1C[C@@H](C)CN(C(=O)[C@@H](C)Sc2ncnc3[nH]cnc23)C1	161340832	JNXWQTHFIOHFBJ-OUAUKWLOSA-N	319.434	2.338	70	20	DEID	
CC(=O)Nc1ccc(C)c(NC(=O)CN(C)[C@H]2CCSC2)c1	160042822	VXTMSMCUMBCCTR-AWEZNQCLSA-N	321.446	2.329	70	20	DEID	
CC[C@@H]1CN(C(=O)Nc2ccn(CC(F)(F)F)n2)CCO1	160357000	MXXUVODLYCJETG-SECBINFHSA-N	306.288	2.088	70	20	DEID	
C[C@H](NCc1ccccc1CN1CCOCC1)[C@H]1CCOC1	160436261	POQXHSCCTREMGC-YJBOKZPZSA-N	304.434	2.033	70	20	DEID	
Cc1cc(C)n(-c2ccc(C(=O)N[C@@H](CCO)C(C)C)cn2)n1	160573329	HWBJMIQSWQWZTO-HNNXBMFYSA-N	316.405	2.021	70	20	DEID	
COCCn1c(SCc2nnc(C)n2C)nc2ccccc21	160926627	FWOFEZYAJOJCRE-UHFFFAOYSA-N	317.418	2.412	70	20	DEID	
CCC[C@H](C)NS(=O)(=O)c1c(C)[nH]c(C(=O)OCC)c1C	159472573	APEAOEXKQHUTKD-VIFPVBQESA-N	316.423	2.275	70	20	DEID	
CC(=O)N1CC[C@H](NC(=O)[C@@H](C)Oc2cc(C)ccc2Cl)C1	159510446	IZXDGQCKSVBDEE-YPMHNXCESA-N	324.808	2.153	70	20	DEID	
COc1cc(F)ccc1NC(=O)N[C@H](CO)CCSC	159546076	GQGJPYCINNFSBH-JTQLQIEISA-N	302.371	2.070	70	20	DEID	
COC[C@H](NC(=O)Nc1cccc(-c2n[nH]c(C)n2)c1)C1CC1	159987382	VVKOSZKBDNVEKI-AWEZNQCLSA-N	315.377	2.327	70	20	DEID	
CCCn1nccc1CNc1cccc(NS(C)(=O)=O)c1	159991034	JYVMFFJYFWUBPU-UHFFFAOYSA-N	308.407	2.277	70	20	DEID	
COC[C@H](O)CCNC(=O)CSCc1cccc(Cl)c1	161075981	SSKQAROWCQRUPR-CYBMUJFWSA-N	317.838	2.087	70	20	DEID	
COc1ccc(NC(=O)c2ccc(S(=O)(=O)F)cc2)c(C)n1	864242351	CFNQOYUPDAXSKJ-UHFFFAOYSA-N	324.333	2.309	70	20	DEID	
CN(C)c1cc(NC(=O)c2ccc(S(=O)(=O)F)cc2)ccn1	864242661	PQZLGLMWEIRZBD-UHFFFAOYSA-N	323.349	2.058	70	20	DEID	
O=C(CC[C@H]1CCCCO1)Nc1ncc(S(=O)(=O)F)s1	953095845	LXZNQNKJGDIVIM-MRVPVSSYSA-N	322.383	2.089	70	20	DEID	
CC(C)OCCCOC(=O)c1cccc(S(=O)(=O)F)c1	1332350246	BDWWOSWTTAANQE-UHFFFAOYSA-N	304.339	2.317	70	20	DEID	
O=C(Nc1cnn(CC(F)(F)F)c1)[C@@H]1Cc2ccccc2CN1	161192447	MQRLCNIIKQCDGO-ZDUSSCGKSA-N	324.306	2.098	70	20	DEID	
C[C@H](C(=O)NCCc1cn2ccccc2n1)C1CCOCC1	161436494	MDQBFRGIWCIMRZ-ZDUSSCGKSA-N	301.390	2.056	70	20	DEID	
Cc1ccc(NC(=O)C(=O)NCC(C)(C)c2ccccc2)cn1	160113450	QGIBSMMJKMYKHV-UHFFFAOYSA-N	311.385	2.423	70	20	DEID	
CC(=O)N[C@H](C(=O)N(C)C1C2CC3CC(C2)CC1C3)C(C)C	160118278	RCHHHPWPMSVYSS-IKXAHOJESA-N	306.450	2.430	70	20	DEID	
O=C(NCCc1cccc(O)c1)c1c[nH]c2ccccc2c1=O	160185853	GTPDPUOWUVVBPC-UHFFFAOYSA-N	308.337	2.206	70	20	DEID	
CCc1nc(CN2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)n[nH]1	160241080	OORCWEHNBGFCGX-NWDGAFQWSA-N	323.441	2.197	70	20	DEID	
CC1CCN(CCCCNC(=O)N2CCC[C@@](C)(O)C2)CC1	160354522	DDOJBUATILXKAO-QGZVFWFLSA-N	311.470	2.055	70	20	DEID	
CC(C)(C)S(=O)(=O)CC(=O)Nc1ccc2ncccc2c1	160704240	QIVDZMLTNXUBGV-UHFFFAOYSA-N	306.387	2.387	70	20	DEID	
CN(CCCNC(=O)N1CCC[C@@](C)(O)C1)c1ccccc1F	160742330	UNPXGQLBFLFHPN-QGZVFWFLSA-N	323.412	2.208	70	20	DEID	
CCC(CC)(CC)CNC(=O)NCC1(CO)CCOCC1	159638688	NQYDLBPIQVDWKM-UHFFFAOYSA-N	300.443	2.291	70	20	DEID	
CCC(CC)(CNCC(=O)N1[C@@H](C)CCC[C@@H]1C)C(=O)OC	159658277	NAGFKFFPFMCULJ-KBPBESRZSA-N	312.454	2.345	70	20	DEID	
C[C@@H]1CSc2ccccc2N(C(=O)[C@H]2CC(=O)N(C)C2)C1	159505794	LIZFNVBLFHSIEL-RYUDHWBXSA-N	304.415	2.240	70	20	DEID	
C[C@H]1[C@@H](C)OCCN1C(=O)NCc1ccnc(N2CCCC2)c1	159368417	AJDLFAAYVWUKNO-UONOGXRCSA-N	318.421	2.001	70	20	DEID	
O=C(CSc1nnc(Cc2ccccc2F)o1)NC1CC1	159554108	SRLQBCGTOQOEGA-UHFFFAOYSA-N	307.350	2.170	70	20	DEID	
C[C@H](SCCN1CCOCC1)C(=O)Nc1cccc(F)c1	159972658	GGEMBNHYOYTDGV-LBPRGKRZSA-N	312.410	2.218	70	20	DEID	
O=C(NCC[C@@H]1CCCCO1)Nc1ccnn1C[C@@H]1CCOC1	159712617	PJBGOVIUDGODPV-KBPBESRZSA-N	322.409	2.000	70	20	DEID	
CC[C@@]1(C)C[C@@H]1C(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1	159843832	QEOIOQOITUWKRF-DOMZBBRYSA-N	310.419	2.278	70	20	DEID	
Cc1noc(C)c1[C@H](C)NC(=O)N1CCN(C)C[C@@H]1C(C)C	159950615	HQDFBCYYDCXSPE-SMDDNHRTSA-N	308.426	2.334	70	20	DEID	
C[C@@H]1CCCC[C@@H]1N(C)C(=O)CSCCN1CCOCC1	160023878	QQUUMCXMQQAEFE-CABCVRRESA-N	314.495	2.089	70	20	DEID	
O=C(N[C@@H]1CCOC2(CCCC2)C1)[C@@H]1CCCc2[nH]ncc21	160026740	YCKLPAPBXKHFKF-CHWSQXEVSA-N	303.406	2.438	70	20	DEID	
C[C@H]1CCN(C(=O)NCCS(=O)(=O)c2ccccc2)C[C@@H]1C	160232946	TZPBWTVIABRISV-KBPBESRZSA-N	324.446	2.148	70	20	DEID	
O=C(NC[C@@H](O)CN1CCCCC1)c1ccc(F)cc1Cl	160255232	MBSLWILSCIUGSG-GFCCVEGCSA-N	314.788	2.056	70	20	DEID	
COc1ccc([C@@H](C)N[C@H]2CCc3nc(C)nn3C2)cc1F	160384433	QTUZZEAFHMKURY-MFKMUULPSA-N	304.369	2.400	70	20	DEID	
CC[C@@H](C)OCC(=O)NC1(C(=O)N(CC)CC)CCCCC1	160409032	SBXAWCSPFOFSMH-CQSZACIVSA-N	312.454	2.489	70	20	DEID	
CC1(C)C(=O)NCCN1Cc1ncc(-c2ccccc2F)o1	160493476	YUTLCFARHJTEKG-UHFFFAOYSA-N	303.337	2.191	70	20	DEID	
Cc1cc(NC(=O)[C@@H]2CCC[C@@H](N)C2)ccc1C(=O)N(C)C	160516598	MYLHNBOMAGSOOV-CHWSQXEVSA-N	303.406	2.153	70	20	DEID	
Cc1cc(NC(=O)NC2C[C@@H](C)O[C@H](C)C2)ccc1C(N)=O	160621181	AAXUUXALYBDLIB-GHMZBOCLSA-N	305.378	2.171	70	20	DEID	
COC(=O)C(C)(C)c1ccc(NC(=O)[C@@H](N)C(C)(C)C)cc1	161041944	QAPZGNHZIMTKLD-CYBMUJFWSA-N	306.406	2.449	70	20	DEID	
Cc1cccc(O[C@@H](C)CNC(=O)C2(N)Cc3ccccc3C2)c1	161165215	UWQRAJDVWJREPR-HNNXBMFYSA-N	324.424	2.375	70	20	DEID	
CNC(=O)[C@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1c1sccc1C	161307045	STZKRHIMEXMSTL-YNEHKIRRSA-N	306.431	2.287	70	20	DEID	
Cc1cc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)ncn1	161349747	KRMQBZZWYNFFKA-CQSZACIVSA-N	324.384	2.276	70	20	DEID	
C[C@H]1CCCN1C(=O)CCN1CCC([C@H](O)C(F)(F)F)CC1	161499365	HEJDMOLAJDWOAT-FZMZJTMJSA-N	322.371	2.023	70	20	DEID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)NC1CCSCC1	1337596346	MPMWLPXTWZEKBC-UHFFFAOYSA-N	317.407	2.279	70	20	DEID	
CN(CC(C)(C)C)C(=O)Cc1ccc(S(=O)(=O)F)cc1	1354567480	LZWZZVGIZMTSOK-UHFFFAOYSA-N	301.383	2.392	70	20	DEID	
O=S(=O)(Cc1ccccc1Cl)N1CCc2ncncc2C1	218074160	JLGBXYOTTIHXSP-UHFFFAOYSA-N	323.805	2.018	70	20	DEID	
O=C(c1ccc(S(=O)(=O)F)cc1)N1CCC[C@@H](CF)C1	893416759	RLHHJVZMUQIIRO-JTQLQIEISA-N	303.330	2.167	70	20	DEID	
C[C@H]1C[C@H](C)CC[C@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1348695874	IJKDMBCXCYRGIK-WCABBAIRSA-N	302.371	2.227	70	20	DEID	
Cc1nc(O)ccc1C(=O)NCCc1nc2c(s1)CCCC2	161126176	VKSSSXLIZUNDHG-UHFFFAOYSA-N	317.414	2.403	70	20	DEID	
CCC(CC)(CN)C(=O)NCc1cccc(N2CCCC2=O)c1	161178658	OQZQVYCZBXXXEN-UHFFFAOYSA-N	317.433	2.195	70	20	DEID	
C[C@@H](NC(N)=O)C(=O)N1CCCC[C@H]1CCCc1ccccc1	161200839	GXZLHAJLPRJRDG-ZBFHGGJFSA-N	317.433	2.447	70	20	DEID	
N[C@H]1CCC[C@@H](NC(=O)c2cccnc2N2CCCCC2)C1	161218208	QUWNFRCWDCHWSI-UONOGXRCSA-N	302.422	2.072	70	20	DEID	
COCC(C)(C)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1	161229386	QPGMIHHTHSFFHW-CQSZACIVSA-N	319.449	2.396	70	20	DEID	
CC[C@@H](C(=O)NCCCc1nc2c(s1)CCCC2)N(C)C	161359236	UGZHKDIATULDNM-ZDUSSCGKSA-N	309.479	2.411	70	20	DEID	
CN(CC1CCN(C(=O)C(C)(C)C)CC1)C[C@H](O)C(F)(F)F	161403269	PZHHIILHXGXLKX-LBPRGKRZSA-N	324.387	2.126	70	20	DEID	
C[C@H]1CC(NC(=O)Nc2cnn(CC(F)F)c2)C[C@H](C)O1	161490993	FFQXOYDMZWMNCI-IUCAKERBSA-N	302.325	2.226	70	20	DEID	
Cc1ccc(S(=O)(=O)NC[C@H](O)c2cccc(F)c2)cc1C	160088357	YJXCHXDABPOIPA-INIZCTEOSA-N	323.389	2.454	70	20	DEID	
CCC[C@H]1CN(C(=O)NC2CCN(C(C)(C)C)CC2)CCO1	160472483	MTHNEQOXYMIUEP-HNNXBMFYSA-N	311.470	2.460	70	20	DEID	
Cc1ccc(F)c(OCC(=O)NC[C@H](O)c2ccsc2)c1	160529700	PDUPBTQKYRVTOY-ZDUSSCGKSA-N	309.362	2.424	70	20	DEID	
CC[C@H](NC(=O)[C@H]1CCc2cn[nH]c2C1)c1c(C)noc1C	160613591	BKAVOQRHTFUEJT-AAEUAGOBSA-N	302.378	2.387	70	20	DEID	
COc1ccccc1SCC(=O)Nc1cncnc1N(C)C	160656981	NLPTUCPJIQUORL-UHFFFAOYSA-N	318.402	2.282	70	20	DEID	
Cc1occc1-c1nnc(SCc2nnc(C)n2C)n1C	160970863	OGOHHPIWDCZDHG-UHFFFAOYSA-N	304.379	2.113	70	20	DEID	
CCNCC1CCN(C(=O)c2cnn(C(C)(C)C)c2C)CC1	160998241	QKXBRXWBRRLFRM-UHFFFAOYSA-N	306.454	2.408	70	20	DEID	
Cc1noc(C)c1[C@H](C)CNC(=O)NC[C@@H]1CCN(C2CC2)C1	159629085	ZZESLCMUDXQZMJ-RISCZKNCSA-N	320.437	2.178	70	20	DEID	
CN([C@@H]1CCSC1)S(=O)(=O)c1ccc(F)c(F)c1F	159434617	DBQJLIZRTVJVHQ-SSDOTTSWSA-N	311.350	2.230	70	20	DEID	
C[C@H](CCn1cccn1)Nc1ccc(NC(=O)CN(C)C)cc1	159457052	PPVCZMYJDZPXAB-CQSZACIVSA-N	315.421	2.274	70	20	DEID	
CCc1nc([C@@H](C)NC(=O)NC[C@](C)(O)CSC)cs1	159667552	GIJHQURYQVCGCZ-RNCFNFMXSA-N	317.480	2.180	70	20	DEID	
CC[C@@H]1CCC[C@H]1NC(=O)CCS(=O)(=O)C1CCCC1	159677435	RQQUUAZUURTTNI-TZMCWYRMSA-N	301.452	2.429	70	20	DEID	
O=S(=O)(F)N1CCC(NCc2ccc3ncccc3c2)CC1	2088591890	PGOKBIARBLTWOR-UHFFFAOYSA-N	323.393	2.003	70	20	DEID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N1C[C@H]2[C@H](C1)C2(C)C	1354770243	CKRTXUIJTHFAMU-STQMWFEESA-N	311.378	2.381	70	20	DEID	
C[C@H](N[C@H](CCO)c1ccccc1)c1ccc(-n2cnnn2)cc1	161081642	QLPJGRLREVPUNO-KBXCAEBGSA-N	323.400	2.437	70	20	DEID	
COCCCCCNC(=O)Nc1cc(C(=O)OC)cs1	161120751	CEUBBUDEQDBBIT-UHFFFAOYSA-N	300.380	2.473	70	20	DEID	
Cc1ncc([C@@H](C)N[C@H](C)C(=O)NCc2ccccc2)c(C)n1	161190751	STCDLFNHRWUVJJ-TZMCWYRMSA-N	312.417	2.449	70	20	DEID	
C[C@@H](CO)N(C)S(=O)(=O)c1ccc(Cl)c2ccccc12	161279281	SHKHVQWUQGPAOZ-JTQLQIEISA-N	313.806	2.495	70	20	DEID	
CC(C)OCCCNC(=O)Nc1cccc(-c2ncn(C)n2)c1	161403355	LNHLYSSUILEPCB-UHFFFAOYSA-N	317.393	2.419	70	20	DEID	
Cc1ccc(-c2cncc(C(=O)N(C)CC(=O)NC3CC3)c2)cc1	160112811	KJWGYLPXWZKHQE-UHFFFAOYSA-N	323.396	2.408	70	20	DEID	
COC(=O)Nc1cccc(C(=O)N(CCCCO)C2CC2)c1	160204205	WCIXIDYXPYFHMV-UHFFFAOYSA-N	306.362	2.242	70	20	DEID	
Cc1cccc(C(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)c1Cl	160385954	PAWQIMXJQXVBBT-AAEUAGOBSA-N	306.793	2.389	70	20	DEID	
C[C@@H](CNC(=O)N[C@@H](C)CCC(C)(C)C)CN1CCOCC1	160414699	LHDQEWIHIQNBQW-GJZGRUSLSA-N	313.486	2.469	70	20	DEID	
CCc1nncn1CCNC(=O)[C@H](CC)c1ccc(F)cc1	160569858	HWNCICPFDJSVCA-CQSZACIVSA-N	304.369	2.290	70	20	DEID	
CC(=O)N[C@@H]1CCCN(C(=O)Nc2ccn(CCC(C)C)n2)C1	160588274	SGRDRAUNJJHFEW-CQSZACIVSA-N	321.425	2.062	70	20	DEID	
O=C(N[C@@H]1CCN(C2CCCC2)C1)N[C@@H](CO)c1ccccc1	160821865	HTCGYCDDMYRAFH-WBVHZDCISA-N	317.433	2.036	70	20	DEID	
CCC[C@H](O)CNC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1	160884934	KDNSBKWXSJWMMO-PMPSAXMXSA-N	306.406	2.367	70	20	DEID	
CCCc1ccc(OCC(=O)NCC(=O)NC(C)(C)C)cc1	160934701	CRILCZJWZWUYBK-UHFFFAOYSA-N	306.406	2.049	70	20	DEID	
C[C@H](CC(=O)Nc1ccc(C(N)=O)cc1F)c1ccncc1	160931337	BMBKNUJFFYGBEH-SNVBAGLBSA-N	301.321	2.452	70	20	DEID	
C[C@@H](O)CN(C)CC(=O)Nc1nc(-c2ccccc2)cs1	159406488	IGAHSYIMNQMAGV-LLVKDONJSA-N	305.403	2.061	70	20	DEID	
CCCCNC(=O)CCN1CCO[C@@]2(CCc3ccccc32)C1	159628285	CRKUHHRTXPLISZ-IBGZPJMESA-N	316.445	2.467	70	20	DEID	
CC(=O)N1CC[C@H](NC(=O)C[C@@H](C)Cc2cccc(F)c2)C1	159851852	LJAPKILWIAKJQC-LRDDRELGSA-N	306.381	2.131	70	20	DEID	
CCCCn1ncc(NC(=O)N[C@@H](C)CC(=O)OCC)c1C	159756651	QVTAECROJWNENX-NSHDSACASA-N	310.398	2.455	70	20	DEID	
CN(Cc1ccc(Cl)c(F)c1)C(=O)[C@@]1(O)CCSC1	159563495	GNAKWEQQWWFKPF-CYBMUJFWSA-N	303.786	2.306	70	20	DEID	
CN(OCc1ccccc1)[C@H]1CCN(CC(F)(F)F)C1=O	159639676	QZUWDNRBNDVKPA-LBPRGKRZSA-N	302.296	2.213	70	20	DEID	
COC1(C(=O)Nc2ccc(C)c(S(=O)(=O)F)c2)CCC1	857675373	LNGYAWXNNBXWQX-UHFFFAOYSA-N	301.339	2.161	70	20	DEID	
COC1CCC(NC(=O)c2cccc(S(=O)(=O)F)c2)CC1	1337491013	LVUSAJYBMBRPAU-UHFFFAOYSA-N	315.366	2.032	70	20	DEID	
O=C(OC[C@@H]1CCCCO1)c1cccc(S(=O)(=O)F)c1	1332330586	QIKOQJKOWRXTHY-NSHDSACASA-N	302.323	2.071	70	20	DEID	
O=C(c1cc(S(=O)(=O)F)ccc1Cl)N1C[C@H]2C=C[C@H]1C2	1338988438	SMBXGFCXIGNFPH-IUCAKERBSA-N	315.753	2.399	70	20	DEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCc2c(F)cccc21	1346321131	TVWMWDIDYGAZOL-UHFFFAOYSA-N	312.297	2.015	70	20	DEID	
COc1cccc([C@H]2CCCN2C(=O)C[C@H]2COC(=O)C2)c1	161102755	CITIPBWSNWVMFJ-IUODEOHRSA-N	303.358	2.312	70	20	DEID	
CC1(NC(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)CCC1	161205278	TUMGYFKSSMUNAD-GFCCVEGCSA-N	305.353	2.173	70	20	DEID	
CC(=O)Nc1ccc(C(=O)N[C@@H]2CCN(c3ccccn3)C2)cc1	161326059	GOKCXQYWJHOEPG-MRXNPFEDSA-N	324.384	2.049	70	20	DEID	
CCc1ncc(C(=O)N2CCOC[C@@H]2[C@H]2CCCCC2=O)s1	160479842	YVFVPAWROSAIQK-VXGBXAGGSA-N	322.430	2.306	70	20	DEID	
COC[C@H](NC(=O)Nc1cnn(-c2ccccc2)c1)C1CC1	160485418	STCPKHJRVOGOEB-HNNXBMFYSA-N	300.362	2.419	70	20	DEID	
COC(=O)CCN(CC(C)C)c1nc(C(C)C)nc(N(C)C)n1	160506334	PUOYSGOGLOHGDJ-UHFFFAOYSA-N	323.441	2.087	70	20	DEID	
O=C(c1cccc2[nH]c(=O)oc12)N(Cc1ccncc1)C1CC1	160523545	XHNPYVAYGZRWDB-UHFFFAOYSA-N	309.325	2.321	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)Cc1c[nH]c2ccc(F)cc12	160554957	QJAPBDYMAMAXEW-JTQLQIEISA-N	306.337	2.307	70	20	DEID	
CN[C@@H]1CCN(C(=O)c2cn(-c3ccc(Cl)cc3)nc2C)C1	160633596	MWXABVQZPTZKHK-CYBMUJFWSA-N	318.808	2.268	70	20	DEID	
CC(C)CSCCCNC(=O)CCOC1CCOCC1	160765648	UEBLSQCNHDFRMQ-UHFFFAOYSA-N	303.468	2.468	70	20	DEID	
Cn1cnc2cc(C(=O)N3CCc4ccc(F)cc4C3)cnc21	160912931	FUXFFJMUKFTOEN-UHFFFAOYSA-N	310.332	2.306	70	20	DEID	
CN(C)[C@H](CNC(=O)c1ccnc(Cl)c1F)c1ccco1	160970983	BVGINAHXKAZOEQ-SNVBAGLBSA-N	311.744	2.500	70	20	DEID	
CC(C)(C)c1nsc(N2CCN(C3CCOCC3)CC2)n1	159813834	KHJKESRRVJYIFN-UHFFFAOYSA-N	310.467	2.137	70	20	DEID	
c1ncn(-c2ccc(CN[C@H]3[C@H]4CCO[C@@H]4C34CCC4)cc2)n1	159642246	OYXJAZYSTSBYJP-IKGGRYGDSA-N	310.401	2.315	70	20	DEID	
CC(C)CN(CC(N)=O)C(=O)c1cnc(-c2ccccc2)s1	159713454	MTQNRGWNNYJLSD-UHFFFAOYSA-N	317.414	2.394	70	20	DEID	
Cc1csc(N(C)C(=O)c2cccc(S(=O)(=O)F)c2)n1	1262673691	YTMYVVPTFJWBJA-UHFFFAOYSA-N	314.363	2.386	70	20	DEID	
CC[C@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1nccs1	161154269	FJOVEACVCMQSGE-IUCAKERBSA-N	307.341	2.347	70	20	DEID	
C[C@@H](C(=O)NN1C(=O)NC2(CCCCC2)C1=O)c1ccccc1	161260743	XXVMOXOCFKPYFQ-GFCCVEGCSA-N	315.373	2.076	70	20	DEID	
O=C(NCC1(C2CC2)CC1)Nc1ccc(N2CCOCC2)nc1	160069344	HTGHZPDLTCTEQZ-UHFFFAOYSA-N	316.405	2.230	70	20	DEID	
O=C1CC[C@@H]2CN(C(=O)c3cc(Cl)ccc3F)CC[C@H]2N1	160175671	UCJMQSZZLRYUFQ-NOZJJQNGSA-N	310.756	2.220	70	20	DEID	
Cc1ccc(C(=O)N(C)[C@@H](C)CO)cc1NC(=O)c1ccco1	160507881	MADSHEKFGBRNKN-LBPRGKRZSA-N	316.357	2.293	70	20	DEID	
CC(C)CN1CCC[C@@H]1CNC(=O)[C@H]1COc2ccccc21	160544433	ZKKBPLSHVNOFPU-ZBFHGGJFSA-N	302.418	2.399	70	20	DEID	
CC(C)CNC(=O)N1CCC[C@H](C(=O)Nc2cccc(F)n2)C1	160789222	NHLCZNHTSOAUGQ-LBPRGKRZSA-N	322.384	2.237	70	20	DEID	
O=C(Nc1ccccc1F)N1CCC(Cn2ccnn2)CC1	159824829	LNHAXMRTVMMXRI-UHFFFAOYSA-N	303.341	2.361	70	20	DEID	
NC(=O)[C@@H]1CCCCN1C(=O)c1ccc(Cl)c(Cl)c1	159861169	DMTYFVZDKWRPNS-NSHDSACASA-N	301.173	2.473	70	20	DEID	
CCS(=O)(=O)c1ccc([C@H](C)N[C@@H]2CCCC[C@@H]2O)cc1	159513336	FLDJLUXUHNNYNZ-MAZHCROVSA-N	311.447	2.434	70	20	DEID	
CCN1CCCN(C(=O)NCCOc2cc(C)cc(C)c2)CC1	159742811	MSTLPSNOZZZWEA-UHFFFAOYSA-N	319.449	2.419	70	20	DEID	
CCCCCNC(=O)NCCCN1C(=O)c2ccccc2C1=O	217306121	KCRIFVHXWLJFHV-UHFFFAOYSA-N	317.389	2.162	70	20	DEID	
Cc1ccc(C)c(OC[C@@H](O)CN2CCC[C@@H](N(C)C)C2)c1C	217139699	LMVLYKLKZKXGLZ-MSOLQXFVSA-N	320.477	2.378	70	20	DEID	
CN1CCC[C@H](CNC[C@@H](O)COc2ccccc2Cl)C1	217575072	FSXGEKJCPLYFKY-ZIAGYGMSSA-N	312.841	2.011	70	20	DEID	
C[C@H]1C[C@H](C(=O)Nc2cccc(S(=O)(=O)F)c2)CCO1	460093599	OIOYFUOSRQIHIQ-VHSXEESVSA-N	301.339	2.098	70	20	DEID	
C[C@@H]1SCCN(C(=O)c2cccc(S(=O)(=O)F)c2)[C@H]1C	1338260133	KVINGCPZDMMBDI-UWVGGRQHSA-N	317.407	2.311	70	20	DEID	
CCN(CC(=O)Nc1cccc(C(C)=O)c1)Cc1cnn(C)c1	161083670	KHLJGVOYMSQQRQ-UHFFFAOYSA-N	314.389	2.083	70	20	DEID	
O=C(C1=Cc2cc(F)ccc2OC1)N1CCOC[C@@H]1C1CC1	161283173	YWIZTZGGNBUYIN-OAHLLOKOSA-N	303.333	2.239	70	20	DEID	
CS[C@H](C)CC(=O)NC1CCN(C(=O)CC(C)C)CC1	161291257	ZTQAVFFQUMEBQI-GFCCVEGCSA-N	300.468	2.281	70	20	DEID	
Cc1cc2cc(NC(=O)c3c(C)c(C)nn(C)c3=O)ccc2[nH]1	161508708	ZIQAKRGVGICOBR-UHFFFAOYSA-N	310.357	2.439	70	20	DEID	
CCCCN(C)c1ccc(C(=O)N2CCCC[C@@H]2C(N)=O)cc1	160069906	AKWWFKGORGKSHF-MRXNPFEDSA-N	317.433	2.403	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)CCCOc1ccccc1F	160599319	SDGUPQQDJZJTGQ-LBPRGKRZSA-N	311.353	2.443	70	20	DEID	
COC(=O)c1csc(NC(=O)NC[C@H]2CCCC[C@@H]2O)c1	160642165	MITWKLUFIVUPHP-KOLCDFICSA-N	312.391	2.207	70	20	DEID	
CC(C)Cn1cnc(S(=O)(=O)Nc2cc(C(C)C)n[nH]2)c1	160650166	JNGAHGZUWTVCGI-UHFFFAOYSA-N	311.411	2.186	70	20	DEID	
CCN(CC)CCCNC(=O)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21	160664153	MGTDUYYQOMNGOR-IXDOHACOSA-N	301.434	2.356	70	20	DEID	
CCOCCC1(C(=O)N2CCN(c3nccs3)CC2)CCC1	160760384	CNXODMVTGLYTDR-UHFFFAOYSA-N	323.462	2.389	70	20	DEID	
C[C@H](NC(=O)N(C)[C@@H]1CCCc2c1cnn2C)C1CCOCC1	159702879	BINQLDLGOXJSNI-SWLSCSKDSA-N	320.437	2.254	70	20	DEID	
O=C(C[C@@H]1CCCN1)N1CC[C@@H](COCc2ccccc2)C1	161327998	ONDMTEFUPTYBKQ-SJORKVTESA-N	302.418	2.194	70	20	DEID	
C[C@H](Cc1ccncc1)NC(=O)c1ccc(S(=O)(=O)F)cc1	864242524	ISJXMIYCAUXXFW-LLVKDONJSA-N	322.361	2.101	70	20	DEID	
CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1339472255	MBYDTCPDRNDDEW-ONGXEEELSA-N	302.371	2.372	70	20	DEID	
Cc1ccc(NC(=O)C(=O)N[C@@H](C)C2CCOCC2)c(F)c1	161063605	NCQLVDNCFFUQNG-NSHDSACASA-N	308.353	2.004	70	20	DEID	
COCCC1(CNC(=O)N2CCCC[C@@H]2c2ncc[nH]2)CC1	161088892	UHSQEJCYTYRRIS-CYBMUJFWSA-N	306.410	2.463	70	20	DEID	
Cc1ccc2cc(C(=O)N(C)[C@H]3CCCCNC3=O)ccc2n1	161440105	JUEFIXICKOUVMC-INIZCTEOSA-N	311.385	2.284	70	20	DEID	
O=C(CCSc1ccccc1)NC[C@@H](O)CN1CCCCC1	160312818	UOZUHUXQFHDQND-OAHLLOKOSA-N	322.474	2.132	70	20	DEID	
CC[C@H](c1ccccc1)S(=O)(=O)CCCCS(C)(=O)=O	160326445	XJHMYJVGVPMCOL-CQSZACIVSA-N	318.460	2.377	70	20	DEID	
O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)[C@H]2CCCCO2)C1	160351308	ZYWKZYFMBBPNAM-GDBMZVCRSA-N	316.401	2.433	70	20	DEID	
COc1ccc(CC(=O)NC[C@H]2CCCN2CC(C)C)cc1	160383550	WHGMJVGMJVZNTQ-MRXNPFEDSA-N	304.434	2.474	70	20	DEID	
C[C@H](CO)N(C)C(=O)COc1ccc(Oc2ccccn2)cc1	160385267	QQWNRCMIILDMPQ-CYBMUJFWSA-N	316.357	2.092	70	20	DEID	
COCCCn1ccc(NC(=O)C[C@@H](C)c2c(C)n[nH]c2C)n1	160406644	YWVGKVNQVYTMIH-LLVKDONJSA-N	319.409	2.392	70	20	DEID	
COC(=O)N(C)CCCC(=O)Nc1cccc(OCCF)c1	160406999	MLKDVPCMNCVVPT-UHFFFAOYSA-N	312.341	2.452	70	20	DEID	
CCOCCCCNC(=O)Nc1ccn(CC(F)(F)F)n1	160647583	LPJLVKGNYVVYGL-UHFFFAOYSA-N	308.304	2.384	70	20	DEID	
CCC[C@@H]1C(=O)NCCN1C(=O)Nc1ccc2[nH]ccc2c1	160772688	FRNONPLWIRXHKP-CQSZACIVSA-N	300.362	2.300	70	20	DEID	
Cc1onc(-c2ccccn2)c1C(=O)N[C@@H](C)[C@H]1CCOC1	160958135	WNMGEIZZLOJGPB-JQWIXIFHSA-N	301.346	2.200	70	20	DEID	
CCCc1cc(NC(=O)c2cnc(C(F)(F)F)nc2)n(C)n1	159848523	PGKNNGLTAMAMKT-UHFFFAOYSA-N	313.283	2.434	70	20	DEID	
COc1ccc(NC(=O)N2CCC[C@H]2c2nncn2C)cc1F	159474476	KUXCAGXTBCUZDT-LBPRGKRZSA-N	319.340	2.332	70	20	DEID	
CO[C@@]1(C)C[C@@H](NC(=O)c2cccc3[nH]c(=O)oc23)C1(C)C	159526034	ZWYDMDJECPNBHN-BZNIZROVSA-N	304.346	2.055	70	20	DEID	
CC(C)[C@@H](C(=O)N[C@@H]1CCOC2(CCCC2)C1)N1CCCC1=O	159744810	CBCBXZFFZGCPMI-ZBFHGGJFSA-N	322.449	2.241	70	20	DEID	
COc1ccc(C)cc1CCNC(=O)N1CCC[C@@](C)(O)C1	159948532	MXNKFBLMVWGWOC-QGZVFWFLSA-N	306.406	2.103	70	20	DEID	
N[C@@H]1CCC[C@@H](NC(=O)CSc2ccc(F)c(F)c2)C1	160926376	JUSVAQAPDQJZIE-NXEZZACHSA-N	300.374	2.443	70	20	DEID	
Cc1nc(C(=O)Nc2ccc(S(=O)(=O)F)cc2)ccc1C#N	187233851	INGQTOOHNCKHDJ-UHFFFAOYSA-N	319.317	2.172	70	20	DEID	
CCOCCCCNC(=O)NCc1cn2c(C)cccc2n1	217073798	JWPCZXSRMRONFK-UHFFFAOYSA-N	304.394	2.259	70	20	DEID	
CSC[C@@](C)(O)CNC(=O)Cc1ccc(C(F)(F)F)cc1	217674798	TVJQCMSCZAQTPU-ZDUSSCGKSA-N	321.364	2.478	70	20	DEID	
Cc1cc(C)c(CNC(=O)c2ccc(S(=O)(=O)F)cc2)cn1	864243365	DCPNFOCOXANDLP-UHFFFAOYSA-N	322.361	2.287	70	20	DEID	
Cc1ncsc1NC(=O)c1cccc(S(=O)(=O)F)c1	1262788354	ZYNOBQWLKAKXNH-UHFFFAOYSA-N	300.336	2.362	70	20	DEID	
C[C@H]1CCC[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1350747384	KEQAFVVHWMKGJA-VHSXEESVSA-N	302.371	2.229	70	20	DEID	
Cc1cccc(CN2CCN(C(=O)c3cccc(F)n3)CC2)c1	161010971	YTZYYLPJRYKLDW-UHFFFAOYSA-N	313.376	2.487	70	20	DEID	
CCNC(=O)c1ccc(NC(=O)N(C)[C@H]2CCSC2)cc1	161210419	QOEDMTKCRNYUSX-ZDUSSCGKSA-N	307.419	2.406	70	20	DEID	
CCOCCC1(CNC(=O)[C@@H](C)OC[C@@H]2CCCO2)CCC1	161245064	HPWMWBYBNBZSOZ-CABCVRRESA-N	313.438	2.284	70	20	DEID	
CCOC(=O)CN(CCc1ccccc1)c1nccc(OC)n1	161344040	ZTXGFUMJXDPUBC-UHFFFAOYSA-N	315.373	2.097	70	20	DEID	
CCOC(=O)[C@H]1CSCCN1C(=O)c1cccc(C)c1F	161429447	GSCUOACPKVUHIC-GFCCVEGCSA-N	311.378	2.255	70	20	DEID	
CCc1nc(CN[C@H](CC)c2ccc3c(c2)OCCO3)n[nH]1	160378017	VRHSNHAPVFPDDZ-GFCCVEGCSA-N	302.378	2.379	70	20	DEID	
CCc1nc(CCNC(=O)NCCc2ccncc2C)cs1	160530949	XWVXQYSCGMSIKY-UHFFFAOYSA-N	318.446	2.493	70	20	DEID	
CCCC1(CNC(=O)/C=C/c2ccc(OCC(N)=O)cc2)CC1	160557966	CFKAEESDQPBYTM-VMPITWQZSA-N	316.401	2.260	70	20	DEID	
CCCC1(CNC(=O)[C@H](C)N2C(=O)[C@H]3CCCC[C@H]3C2=O)CC1	160659984	HFURQQZJJPIOCW-MELADBBJSA-N	320.433	2.247	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)[C@H](C)Oc1ccc(F)c(F)c1	160756394	LZIUFCAZLNINJI-UWVGGRQHSA-N	315.316	2.190	70	20	DEID	
CCCC1(CNC(=O)N2CCC[C@H]2C(=O)NC2CC2)CCC1	159818540	OGZDMYQKXUJPIW-AWEZNQCLSA-N	307.438	2.409	70	20	DEID	
C[C@@H](CC(=O)NCCC(=O)N1CCCCCC1)c1ccncc1	159621840	YTQLZXQGGRESPU-HNNXBMFYSA-N	317.433	2.484	70	20	DEID	
Cc1ncc(Cl)c(C(=O)N2CCC(NCC3CC3)CC2)n1	159822391	ZKLVMHQCUOLPNY-UHFFFAOYSA-N	308.813	2.043	70	20	DEID	
CC(=O)N1CC[C@@H](NC(=O)Cc2ccc(Cl)c(Cl)c2)C1	159569823	JEMYVPNWGWVWCD-LLVKDONJSA-N	315.200	2.273	70	20	DEID	
CC(C)N(C(=O)CSCCN1CCOCC1)C1CCCC1	159779258	JUKCVVQXWKSTOK-UHFFFAOYSA-N	314.495	2.231	70	20	DEID	
C[C@@H]1CC[C@H](CC(=O)Nc2cccc(S(=O)(=O)F)c2)O1	460094509	PZQDWMQJEVOOGL-MWLCHTKSSA-N	301.339	2.241	70	20	DEID	
COCC1(C(=O)Nc2ccc(C)c(S(=O)(=O)F)c2)CCC1	857674508	YVPUUBKDIJAUFI-UHFFFAOYSA-N	315.366	2.408	70	20	DEID	
Cc1noc(C)c1N(C)C(=O)c1cccc(S(=O)(=O)F)c1	1340081436	APZKUXBIJHFHQF-UHFFFAOYSA-N	312.322	2.226	70	20	DEID	
C[C@H](c1ccncc1)N1CCC(NC(=O)N(C)C2CC2)CC1	161200134	VNEAGOQMYHJNOQ-CYBMUJFWSA-N	302.422	2.411	70	20	DEID	
O=C(c1cn[nH]c1)N1CCN(Cc2ccccc2Cl)CC1	161282468	VSCDABNGPOSXGK-UHFFFAOYSA-N	304.781	2.021	70	20	DEID	
Cc1c(NC(=O)NCC2(CO)COC2)cccc1C(F)(F)F	160325346	RFGAIANABPIWRC-UHFFFAOYSA-N	318.295	2.144	70	20	DEID	
CC(C)(C)c1ccc([C@@H](O)CNC(=O)C[C@H]2COC(=O)C2)cc1	160474816	SRBAVOVMSPXBDK-DOMZBBRYSA-N	319.401	2.087	70	20	DEID	
Cn1cnnc1CN1CCN(Cc2cccc3ccccc23)CC1	160708997	LUVRKIPBCGTDMK-UHFFFAOYSA-N	321.428	2.286	70	20	DEID	
CCO[C@@H]1CCCN(C(=O)Nc2ccn(CC(F)(F)F)n2)C1	160786399	IXMUHNWYZLYDNB-SNVBAGLBSA-N	320.315	2.478	70	20	DEID	
CC(=O)NC1CCN(C(=O)Nc2ccnc(C)c2Cl)CC1	159810691	BYIPKIUTNRTOSP-UHFFFAOYSA-N	310.785	2.176	70	20	DEID	
CCc1n[nH]c(=O)c(CNC(=O)NCC2(C(C)C)CC2)c1CC	159648422	JLADQLUJKKICJY-UHFFFAOYSA-N	320.437	2.130	70	20	DEID	
CNC(=O)c1ccc(CN[C@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1	159662254	DLJOEEGKXSLZBA-PMPSAXMXSA-N	300.402	2.093	70	20	DEID	
CNC(=O)CCCN(C)C(=O)Nc1ccc(F)c(F)c1F	159882760	ZBBOJZSSETYOFW-UHFFFAOYSA-N	303.284	2.094	70	20	DEID	
COC(=O)[C@@H](C)CN(C)C(=O)c1cnn(CCC(C)C)c1C	159956380	CMBGTDVOOZCVTE-LBPRGKRZSA-N	309.410	2.119	70	20	DEID	
COc1cccc(C2(NC(=O)NCCCn3cccn3)CC2)c1	159984450	WYEDGOKKVBYVAE-UHFFFAOYSA-N	314.389	2.270	70	20	DEID	
NC(=O)C[C@@H](NC(=O)CCCn1cccc1)C1CCCCC1	159794186	KKYCXVLYOKPAJL-OAHLLOKOSA-N	305.422	2.209	70	20	DEID	
O=C(C[C@H]1COC(=O)C1)N[C@@H]1CCSc2ccc(F)cc21	159798069	BCJLQYJETVHCCT-BXKDBHETSA-N	309.362	2.432	70	20	DEID	
O=C(Nc1ccnn1CC1CC1)c1cccc(S(=O)(=O)F)c1	1337519638	DBIBGEVBUDCASR-UHFFFAOYSA-N	323.349	2.204	70	20	DEID	
CCc1onc(C)c1NC(=O)c1cccc(S(=O)(=O)F)c1	1262732916	YYLSIGCSHKRCLM-UHFFFAOYSA-N	312.322	2.456	70	20	DEID	
Cc1ccn(C)c(=O)c1NC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O	161367605	QORZZMPRZZVXIM-FUNVUKJBSA-N	302.374	2.028	70	20	DEID	
CC[C@H]1CCCCN1C(=O)CSc1ncnc2[nH]cnc12	161392954	BBQNORVZGFHHSG-JTQLQIEISA-N	305.407	2.236	70	20	DEID	
CCc1nc(CS(=O)(=O)c2ncc(C(C)(C)C)s2)no1	160382165	HMYKXEQBHHNGOO-UHFFFAOYSA-N	315.420	2.360	70	20	DEID	
CCC[C@](C)(CO)NC(=O)NCCOCc1cccc(OC)c1	160579887	ILJCIXURECXPBO-QGZVFWFLSA-N	324.421	2.062	70	20	DEID	
CC(C)(C)c1ccc(C(=O)NCC2CCN(CCO)CC2)cc1	160662473	WQTLMPJPELMYHM-UHFFFAOYSA-N	318.461	2.418	70	20	DEID	
CC[C@@](C)(CCO)NC(=O)Nc1cc(C(=O)OC)cs1	160776022	FJEAVMCGMCIMBR-ZDUSSCGKSA-N	300.380	2.207	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)CCCOc1ccc(F)cc1	160864518	RATYSYNMGIDWMZ-GFCCVEGCSA-N	311.353	2.443	70	20	DEID	
C[C@H](O)C[C@@H](CNC(=O)CC1CCOCC1)c1ccccc1	159431379	KHNQBKMDZNHIMT-YOEHRIQHSA-N	305.418	2.474	70	20	DEID	
CC(C)(C)N1C[C@H](NC(=O)CCc2ccc(F)cc2F)CC1=O	159861057	WLKPBYNCUYZDFW-CYBMUJFWSA-N	324.371	2.413	70	20	DEID	
O=C(NCCCO[C@H]1CCOC1)N1CCc2cccc(F)c2C1	159909981	OZUPFCSLYFQRQE-AWEZNQCLSA-N	322.380	2.089	70	20	DEID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N[C@H]1CCS[C@H]1C	1340768232	CWUYITQGBBZEGH-CABZTGNLSA-N	317.407	2.277	70	20	DEID	
CCCC[C@@H](C(=O)OC)N1CCC([C@@H](O)C(F)(F)F)CC1	161275691	SJSUCCZEVQMHQW-NWDGAFQWSA-N	311.344	2.353	70	20	DEID	
CCN(Cc1cnn(C)c1)[C@H](C)C(=O)NCC1CCCCC1	161072359	AEMWINMMSPUBRN-CQSZACIVSA-N	306.454	2.327	70	20	DEID	
CCN(Cc1cnn(C)c1)C[C@H](O)COc1cc(C)cc(C)c1	161145400	AYUNZJCJQMDSBM-KRWDZBQOSA-N	317.433	2.299	70	20	DEID	
CCC[C@@](C)(NC(=O)[C@H](O)c1ccccc1Cl)C(=O)OC	161207772	IXXNPCYJQDQXBV-IUODEOHRSA-N	313.781	2.221	70	20	DEID	
CCCOc1c(Cl)cc(C(=O)NC[C@H](C)CO)cc1OC	160410340	PKGKXRQJJNSBTM-JTQLQIEISA-N	315.797	2.496	70	20	DEID	
COC[C@H](O)CCNC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C	160905424	SHVZQVOSWWVOJB-LSDHHAIUSA-N	323.433	2.399	70	20	DEID	
C[C@H]1CC(NC(=O)NCCOCc2ccccc2)C[C@H](C)O1	159633172	JMNGKVBPJWTTNN-KBPBESRZSA-N	306.406	2.458	70	20	DEID	
CC(C)Oc1cncc(C(=O)N(C)CC(=O)OC(C)(C)C)c1	159517142	ZVBFHHNWJBWTTO-UHFFFAOYSA-N	308.378	2.283	70	20	DEID	
COc1cccc2c1CC[C@@H]2NC(=O)[C@H]1CCc2cn[nH]c2C1	159925046	UVDSVJKFNALCMH-NHYWBVRUSA-N	311.385	2.327	70	20	DEID	
COC(=O)[C@H](NCc1ccn(C)c1)c1cc(OC)cc(OC)c1	159755084	BPCHZTUUCLTRCG-MRXNPFEDSA-N	318.373	2.046	70	20	DEID	
CC(=O)N1CC[C@H](NC(=O)[C@H](C)CSc2ccc(F)cc2)C1	159758936	UQHVFJKVEMIVNS-RISCZKNCSA-N	324.421	2.291	70	20	DEID	
COC(=O)c1sccc1CSCCN1CCOCC1	159766490	MVCKZFAHPWLSQT-UHFFFAOYSA-N	301.433	2.100	70	20	DEID	
C[C@@H]1CCC[C@H](C(=O)NCCc2nnc3n2CCCCC3)C1	159571559	ZBGBZCOCOQRWLK-KGLIPLIRSA-N	304.438	2.490	70	20	DEID	
C[C@@H](SCCN1CCOCC1)C(=O)Nc1cccc(F)c1	159972801	GGEMBNHYOYTDGV-GFCCVEGCSA-N	312.410	2.218	70	20	DEID	
CC(C)(C)OC(=O)NCCc1cccc(S(=O)(=O)F)c1	2080418987	PVOABBRXZRSMDN-UHFFFAOYSA-N	303.355	2.412	70	20	DEID	
COCCC1(C(=O)Nc2ccc(S(=O)(=O)F)cc2)CCC1	123103054	OHACGXUVIAENJE-UHFFFAOYSA-N	315.366	2.490	70	20	DEID	
CO[C@@H](C)c1nc(CSCCN2CCOCC2)cs1	160001152	MCHBPVSTPHKPFD-NSHDSACASA-N	302.465	2.416	70	20	DEID	
N#Cc1ccc(CNC(=O)c2cccc(S(=O)(=O)F)c2)cc1	1338389528	HQJLBHRNOPNGSD-UHFFFAOYSA-N	318.329	2.146	70	20	DEID	
O=C(CCc1ccc(S(=O)(=O)F)cc1)NC/C=C\C1CC1	1338183256	CAYZDTSZHPCTMS-UPHRSURJSA-N	311.378	2.360	70	20	DEID	
C[C@@H](c1cccs1)N(C)C(=O)N[C@H]1CCc2ncnn2C1	161037417	HHEJTFBIWDEYPU-QWRGUYRKSA-N	305.407	2.057	70	20	DEID	
N[C@H]1CCC[C@@H](NC(=O)C2(c3ccc(F)cc3)CCOCC2)C1	161065993	GXHCLUUARHOFGT-JKSUJKDBSA-N	320.408	2.260	70	20	DEID	
CCNCC1CCN(C(=O)[C@@H](C)Cc2c(C)nn(C)c2C)CC1	161148773	ZUSCVVQCQJGWGL-ZDUSSCGKSA-N	320.481	2.064	70	20	DEID	
C[C@H]1CN(C(=O)c2ccc(C(=O)NC3CC3)cc2)CC(C)(C)O1	161231473	ICRWGJBBYLLRKE-LBPRGKRZSA-N	316.401	2.218	70	20	DEID	
CCN(CC)c1ccc(NC(=O)c2cnc3c(c2)ncn3C)cn1	160132044	NQXFVLGNRLXLFS-UHFFFAOYSA-N	324.388	2.462	70	20	DEID	
O=C(CCn1c(=O)oc2ccccc21)NCC1(C2CC2)CC1	160136546	AHLKVHGJXXRJLP-UHFFFAOYSA-N	300.358	2.291	70	20	DEID	
CC(C)CN(CCN(C)C)C(=O)N[C@H]1CCO[C@@H](C2CC2)C1	160360455	FCURBNXEDGUSII-JKSUJKDBSA-N	311.470	2.173	70	20	DEID	
COc1ccc([C@H](C)N[C@@H]2CCc3nc(C)nn3C2)cc1F	160384040	QTUZZEAFHMKURY-GXFFZTMASA-N	304.369	2.400	70	20	DEID	
Cc1nn2cccnc2c1C(=O)N[C@H]1CCOC2(CCCC2)C1	159861074	WOCFJLHVIZKHLO-ZDUSSCGKSA-N	314.389	2.259	70	20	DEID	
CCOC(=O)CN(C)[C@@H](C)C(=O)Nc1c(C)cc(C)cc1C	159504793	AWVPYMLCUJSKRB-AWEZNQCLSA-N	306.406	2.434	70	20	DEID	
COC(=O)C1CCN(c2ccnc(Cc3ccccc3)n2)CC1	159511344	GQJBCMGMBJVTJV-UHFFFAOYSA-N	311.385	2.457	70	20	DEID	
CO[C@]1(C)C[C@H](NC(=O)c2cccc3[nH]c(=O)oc23)C1(C)C	159525889	ZWYDMDJECPNBHN-MEDUHNTESA-N	304.346	2.055	70	20	DEID	
CN(Cc1nc(CCc2ccccc2)no1)C[C@@H]1CCC[C@@H]1O	159590226	LBZXYIYUEGZRJE-HOTGVXAUSA-N	315.417	2.448	70	20	DEID	
CC(C)N1C[C@H](NC(=O)NCc2cccc(Cl)c2)CC1=O	217289197	UZIUUKAWVNNLIV-CYBMUJFWSA-N	309.797	2.149	70	20	DEID	
COC1CCC(C(=O)Nc2cccc(S(=O)(=O)F)c2)CC1	809280794	JHFGLVOOQYRWQJ-UHFFFAOYSA-N	315.366	2.489	70	20	DEID	
O=C(NCC[C@@H]1CCCCO1)c1cccc(S(=O)(=O)F)c1	1337520056	OLFFGQUGLPJIFV-LBPRGKRZSA-N	315.366	2.034	70	20	DEID	
Cc1ccc(NC(=O)CCCCC(=O)O)cc1S(=O)(=O)F	1605288194	HHZXXQSIDASGDS-UHFFFAOYSA-N	317.338	2.237	70	20	DEID	
CCC(O)(CC)CNS(=O)(=O)c1ccc(C)c(Cl)c1	160213898	FCRMCCABNKBLJB-UHFFFAOYSA-N	305.827	2.478	70	20	DEID	
CC(C)NC(=O)c1ccc(C(=O)N[C@@H](C)[C@@H]2CCCO2)cc1	160274671	UAZJTGDXJVQSPO-WFASDCNBSA-N	304.390	2.122	70	20	DEID	
CC(C)N1CCCN(C(=O)N[C@H]2CCO[C@H](C3CC3)C2)CC1	160569168	CQGKEORPCKCSSS-HOTGVXAUSA-N	309.454	2.070	70	20	DEID	
C[C@@H](NCc1ccc(CN2CCOCC2)cc1)[C@@H]1CCOC1	160580425	FAKYATNPNOMUJP-CRAIPNDOSA-N	304.434	2.033	70	20	DEID	
COc1ccc([C@@H](C)NCC(=O)NCC(F)(F)F)c(OC)c1	160604936	GQKVPQPJZPGMFO-SECBINFHSA-N	320.311	2.033	70	20	DEID	
CN(Cc1ccccn1)C(=O)N[C@H]1CCN(C2CCCC2)C1	160817214	NXZLHEGQQYGQEU-HNNXBMFYSA-N	302.422	2.240	70	20	DEID	
O=C(NCCO)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1	160966006	SBZSVCOJIXIRJI-UHFFFAOYSA-N	314.267	2.005	70	20	DEID	
N[C@@H]1CCC[C@@H](NC(=O)Cc2csc(-c3ccoc3)n2)C1	160981837	ZYFAJSNZXBINEK-VXGBXAGGSA-N	305.403	2.332	70	20	DEID	
COc1cccc2c1OCC(C(=O)Nc1c[nH]c(=O)c(C)c1)=C2	159647762	BXYDKNPVIWOSHK-UHFFFAOYSA-N	312.325	2.106	70	20	DEID	
C[C@@H](CC(=O)Nc1ccc(F)c(C(N)=O)c1)c1ccncc1	159685469	NPUFQFVUDFDVDN-JTQLQIEISA-N	301.321	2.452	70	20	DEID	
NC(=O)C1(NC(=O)CCc2ccc(F)cc2F)CCCCC1	159908632	MXJBSVAKIYGYDZ-UHFFFAOYSA-N	310.344	2.202	70	20	DEID	
CCN1CCCN(C(=O)N[C@@H](C)Cc2ccc(O)cc2)CC1	159739960	STYJQNRYNDFWBB-AWEZNQCLSA-N	305.422	2.060	70	20	DEID	
Cc1ccc(F)c(S(=O)(=O)NC[C@H](O)C2CCCCC2)c1	159567389	XNVOKZXFOYTYRK-AWEZNQCLSA-N	315.410	2.354	70	20	DEID	
CO[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(C)c(S(=O)(=O)F)c1	1121227027	OBUDEJXYNCWGJV-NWDGAFQWSA-N	315.366	2.407	70	20	DEID	
O=S(=O)(CCCCCO)c1ccc(Br)cc1	161204297	NNOAFIVPVAUHFY-UHFFFAOYSA-N	307.209	2.385	70	20	DEID	
COC[C@H](O)CCNC(=O)[C@@H](C)Sc1ccccc1Cl	161230983	JOFIJXQVAVVWJS-GHMZBOCLSA-N	317.838	2.334	70	20	DEID	
CN(Cc1cccs1)C(=O)CSc1ncnc2[nH]cnc12	161377580	SQJJZOMPFCSDRP-UHFFFAOYSA-N	319.415	2.165	70	20	DEID	
CCc1ccc([C@H](C)CC(=O)NCCN2C(=O)CCC2=O)cc1	160315409	AFUSQUPPZBTOFL-CYBMUJFWSA-N	316.401	2.008	70	20	DEID	
C[C@@H](NC(=O)Nc1ccn(CC(F)(F)F)n1)c1cnn(C)c1	160345115	YCMMLMJSKAOLCL-MRVPVSSYSA-N	316.287	2.062	70	20	DEID	
CN(C(=O)c1ccc([S@](C)=O)cc1)c1ccc2c(c1)OCO2	160496612	ZAMUUQUITBHDAR-JOCHJYFZSA-N	317.366	2.429	70	20	DEID	
COc1cc(CCC(=O)N[C@@H](CCO)C(C)C)cc(OC)c1	160602491	HISDEEORFYGODZ-INIZCTEOSA-N	309.406	2.160	70	20	DEID	
COC(CN1CCCC[C@H]1[C@H](C)NC(=O)OC(C)(C)C)OC	160831551	UMQIMQFLDWGXJR-STQMWFEESA-N	316.442	2.373	70	20	DEID	
CN(Cc1ccc(O)cc1)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2	160939096	OKAJNUAYKHFEJF-OAGGEKHMSA-N	316.401	2.491	70	20	DEID	
Cc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1N	160961719	NYCFUJIZSKXUER-GJZGRUSLSA-N	324.446	2.005	70	20	DEID	
O=C(NCCc1cscn1)N[C@@H](CCO)C1CCCCC1	159605047	IGXHZTSKYLQZPV-AWEZNQCLSA-N	311.451	2.316	70	20	DEID	
NC(=O)CC1CCN(Cc2cnn(-c3ccc(F)cc3)c2)CC1	159840145	UHITVCNQISWYFA-UHFFFAOYSA-N	316.380	2.099	70	20	DEID	
COC(=O)[C@@H]1CCC[C@@H]1NC(=O)Nc1ccn(CCC(C)C)n1	159671796	FDYSCJWYQJBIBE-OLZOCXBDSA-N	322.409	2.392	70	20	DEID	
CC[C@@H](C)c1ccccc1OCC(=O)N[C@@H]1CCN(C(C)=O)C1	159702067	YDPBJBLJXBYWQD-UKRRQHHQSA-N	318.417	2.316	70	20	DEID	
CC(=O)Nc1ccc(C)cc1NC(=O)c1cnc2c(c1)ncn2C	159786566	NFPMVEQUNLUSJZ-UHFFFAOYSA-N	323.356	2.487	70	20	DEID	
Cc1ccc(CCNC(=O)c2ccc(S(=O)(=O)F)cc2)o1	864238205	GCFIEAQNFQDMPN-UHFFFAOYSA-N	311.334	2.219	70	20	DEID	
CCOC(C)(C)C(=O)Nc1ccc(C)c(S(=O)(=O)F)c1	875836174	QLAHJDPJMBHDST-UHFFFAOYSA-N	303.355	2.407	70	20	DEID	
COC1([C@H](C)NC(=O)c2cccc(S(=O)(=O)F)c2)CCC1	1121185497	RIKUNYBDSQMQIT-JTQLQIEISA-N	315.366	2.032	70	20	DEID	
CC(C)(C)OCCCNC(=O)c1cccc(S(=O)(=O)F)c1	1121185491	RFMXVPUXAUUERT-UHFFFAOYSA-N	317.382	2.280	70	20	DEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N(C1CCCC1)C1CC1	1339471135	CWXYDSLSGZLWIZ-UHFFFAOYSA-N	300.355	2.220	70	20	DEID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N(C1CC1)[C@@H](C)C#N	1337477992	ADBVJSIDRZBMAA-JTQLQIEISA-N	310.350	2.170	70	20	DEID	
C[C@@H]1CCCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1262673721	ZZQDRVFYALEHCF-NXEZZACHSA-N	302.371	2.229	70	20	DEID	
C[C@H](CCO)CNC(=O)CCCc1nnc(-c2ccccc2)o1	161000101	XZCUWLJPXUEHQG-CYBMUJFWSA-N	317.389	2.194	70	20	DEID	
CC(=O)Nc1ccc(CCNC2CCC(NC(C)=O)CC2)cc1	161026100	OIOQLTICPWJGTP-UHFFFAOYSA-N	317.433	2.224	70	20	DEID	
CCc1ccc(NC(=O)C(=O)N[C@H](C)C2CCOCC2)cc1	161063234	SQFZROWWTSDKGC-GFCCVEGCSA-N	304.390	2.119	70	20	DEID	
CN(CCN(C)C[C@H](O)C(F)(F)F)Cc1ccc(F)cc1	161403094	QVBXAEFLRYOWNQ-ZDUSSCGKSA-N	308.319	2.113	70	20	DEID	
CC(C)OC(=O)CCCNC(=O)N1CCS[C@H](C)[C@H]1C	160187973	LVTUDLUBWSQNAA-VXGBXAGGSA-N	302.440	2.254	70	20	DEID	
COc1ccc(N(C)C(=O)c2ccc(=O)n(C)c2)cc1Cl	160232181	GVQSZVKOGWTPJL-UHFFFAOYSA-N	306.749	2.324	70	20	DEID	
CCCN(CC(=O)NC)C(=O)C[C@H](C)c1ccc(F)cc1F	160295080	CRPCTDZYZFLOOC-NSHDSACASA-N	312.360	2.443	70	20	DEID	
CCCc1nnc(NC(=O)NCC(CC)(CC)CO)s1	160308328	OXVPISVAFRRWPW-UHFFFAOYSA-N	300.428	2.411	70	20	DEID	
O=C(Nc1ccn(CC(F)(F)F)n1)N[C@H]1CCCC[C@H]1CO	160331709	BSOZKHZQYFCMQS-UWVGGRQHSA-N	320.315	2.118	70	20	DEID	
COc1cccc(OC)c1CC(=O)N(C)Cc1cccn1C	160421191	NFNDSJZEIOHDDD-UHFFFAOYSA-N	302.374	2.243	70	20	DEID	
CCc1cc(NC(=O)N2CCOC[C@@H]2c2ccc(C)o2)n(C)n1	160421854	UOTGCAQFOAUSKK-CYBMUJFWSA-N	318.377	2.489	70	20	DEID	
COCCN(Cc1ccco1)C(=O)N[C@H]1CCO[C@@H](C2CC2)C1	160428748	QNYUSGGALQCXCY-GOEBONIOSA-N	322.405	2.395	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)c1cnc(-c2ccccc2)nc1	160441834	DHVGOXLIKQBBGT-GFCCVEGCSA-N	313.357	2.215	70	20	DEID	
CCCCC(=O)N1CSC[C@H]1C(=O)N(C)Cc1cccn1C	160484829	BZNPJQOBUCUCCJ-AWEZNQCLSA-N	323.462	2.075	70	20	DEID	
CC[C@@H](O)CCNC(=O)NCCN(CC)c1cccc(C)c1	160751648	KOSPSZHDJUAZNF-MRXNPFEDSA-N	307.438	2.282	70	20	DEID	
CC[C@@H](C)[C@@](C)(O)CNC(=O)Nc1cc(C(=O)OC)cs1	160894545	CYQABVRSLJQROH-OTYXRUKQSA-N	314.407	2.453	70	20	DEID	
C[C@H]1C[C@@H](CN)CN1C(=O)c1ccc(OC(F)(F)F)cc1	159424644	UAFLDJPJFYVHSC-UWVGGRQHSA-N	302.296	2.395	70	20	DEID	
CN(CC(=O)Nc1ccnn1C1CCCC1)C[C@@H]1CCC[C@@H]1O	159547292	VTQGJSBXRLTMKI-ZFWWWQNUSA-N	320.437	2.030	70	20	DEID	
C[C@H]1Cc2ccccc2N1C(=O)CN(C)C[C@@H]1CCC[C@@H]1O	159752810	GXQONIJGGLWQTQ-QRTARXTBSA-N	302.418	2.057	70	20	DEID	
CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)N(C)C[C@@H](C)O	159573929	VXJDGXKHRATJMU-MNOVXSKESA-N	318.373	2.275	70	20	DEID	
C[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@@H]1C[C@H]2CC[C@H]1C2	1354031798	KUGVTABGKWBREZ-GMOBBJLQSA-N	314.382	2.227	70	20	DEID	
CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NCc2cnc(C)s2)C1	161043023	AMIXFBYABUXLET-DGCLKSJQSA-N	323.462	2.352	70	20	DEID	
CCOC[C@@H]1CCN(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1	161072686	ZGJZXJSGOQQTQX-BARDWOONSA-N	308.422	2.012	70	20	DEID	
CCN1CCCC[C@H]1CN[C@@H](C)c1ccc(-n2cnnn2)cc1	161205066	PUGXRYXRVUZHOW-YOEHRIQHSA-N	314.437	2.187	70	20	DEID	
COCC(C)(C)C(=O)N1CCC(NC(=O)c2ccccc2)CC1	161213624	WNEUWKGLGIEZOH-UHFFFAOYSA-N	318.417	2.080	70	20	DEID	
CC(C)(C)C(=O)N1CCC(CN2CCOC[C@H]2C2CC2)CC1	161273123	LXEAXXYCNQSLNV-INIZCTEOSA-N	308.466	2.382	70	20	DEID	
CC[C@](C)(O)CNC(=O)Nc1ccc(O[C@H]2CCOC2)cc1	160137417	RSFGZEUOVVULDR-HOCLYGCPSA-N	308.378	2.137	70	20	DEID	
Cc1cc(C(=O)NC2CCN([C@@H]3CCCC[C@@H]3O)CC2)c(C)o1	160216205	JWUKVAAOEQICOJ-SJORKVTESA-N	320.433	2.394	70	20	DEID	
Cc1c(C(=O)NCCC2CCN(C)CC2)cnn1CC(C)C	160268119	SOQRNKGRLPYQRA-UHFFFAOYSA-N	306.454	2.309	70	20	DEID	
CC[C@](C)(CCO)NC(=O)Nc1ccn(CC(F)(F)F)n1	160667811	FSZSBTYRXGRJAI-LLVKDONJSA-N	308.304	2.118	70	20	DEID	
CCN1CCCN(C(=O)NC[C@H]2CCCCN2CC(C)C)CC1	160917607	PQQFGSMWCKPCBG-QGZVFWFLSA-N	324.513	2.234	70	20	DEID	
CN(Cc1cccn1C)C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21	160959776	IXPCGZCDOSKJRX-CQSZACIVSA-N	315.348	2.249	70	20	DEID	
Cc1nccc(NC(=O)N[C@H](C)CO[C@@H]2CCOC2)c1Cl	159657684	PBULFJKHKPOKQU-MWLCHTKSSA-N	313.785	2.359	70	20	DEID	
C[C@@H]1CCC[C@H](C(=O)Nc2cccc(NS(N)(=O)=O)c2)C1	159862810	NIXQODFBYXOCLV-MNOVXSKESA-N	311.407	2.067	70	20	DEID	
Cc1cccc(CCNS(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c1	159748240	OLEQSINJVZYLKS-GASCZTMLSA-N	310.463	2.350	70	20	DEID	
CC[C@@H](C)OCC(=O)Nc1ccc(NS(=O)(=O)CC)cc1	159398647	UXDCUKZOPBZFEO-LLVKDONJSA-N	314.407	2.202	70	20	DEID	
CO[C@@H]1CC[C@@H](OC(=O)c2cccc(S(=O)(=O)F)c2)C1	1349679011	NPUSZYKPNAWUJX-GHMZBOCLSA-N	302.323	2.069	70	20	DEID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)NCCC(C)(F)F	1518232885	RWQHNFUXWRXMLU-UHFFFAOYSA-N	309.309	2.428	70	20	DEID	
CCN(Cc1ccccc1)C(=O)[C@@H](C)N(C)Cc1cnn(C)c1	161056531	IRYDYKMDDZEEHB-OAHLLOKOSA-N	314.433	2.289	70	20	DEID	
CCc1cccc(C)c1NC(=O)C(=O)N[C@@H](C)C1CCOCC1	161111773	KLNHDAADSUCLNI-ZDUSSCGKSA-N	318.417	2.427	70	20	DEID	
O[C@H](COc1ccc(F)cc1)CN1CC[C@]2(O)CCCC[C@@H]2C1	161125689	XUQPOJMRSQEGLZ-UWWQBHOKSA-N	323.408	2.192	70	20	DEID	
CCN(CC)[C@@H](CNC(=O)N1CCC[C@@](C)(O)C1)c1ccco1	161212166	IDVCZXLZYALJEI-WMLDXEAASA-N	323.437	2.219	70	20	DEID	
CCNC(=O)c1cccc(CN[C@@H]2C[C@H](C)N(C)C[C@@H]2C)c1	160178047	NUVYIHCEZLWFOH-GRDNDAEWSA-N	303.450	2.255	70	20	DEID	
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NC[C@@H](C)CO	160411272	HBOHWGOMHAZPNP-LLVKDONJSA-N	321.808	2.251	70	20	DEID	
C[C@H]1CN(C(=O)c2ccnc(OCC(F)F)c2)CC(C)(C)O1	160481572	OYNJMFHMLRLGII-JTQLQIEISA-N	314.332	2.365	70	20	DEID	
C[C@H]1CCN(C(=O)NCc2ccc(-n3cncn3)cc2)C[C@@H]1C	160655852	WXKYDRYGJZNTQZ-KBPBESRZSA-N	313.405	2.455	70	20	DEID	
COC(=O)[C@H]1CCCCN1CC1CCN(C(=O)C(C)(C)C)CC1	160668451	PNGGVJDHINIKBW-OAHLLOKOSA-N	324.465	2.299	70	20	DEID	
C[C@@H](O)[C@H]1CCCN(C(=O)Nc2ccc3c(c2)N(C)CCO3)C1	159638297	ZIGGHEJGTYATKU-OLZOCXBDSA-N	319.405	2.140	70	20	DEID	
CCc1nc(CN(Cc2ccccc2)[C@@H](CO)C2CC2)n[nH]1	159515685	GJZCRUFVYQOLCJ-HNNXBMFYSA-N	300.406	2.140	70	20	DEID	
Cc1cc(C)c(C)c(S(=O)(=O)N(C)[C@H](CN)C2CC2)c1C	159932387	VBXRDOVFEMQJEU-OAHLLOKOSA-N	310.463	2.278	70	20	DEID	
C[C@H](CO)CNC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1	160478198	PMNKMTVLKZRKHO-LBPRGKRZSA-N	322.405	2.070	70	20	DEID	
C[C@H]1CCC[C@@H]1C(=O)Nc1cncc(OS(=O)(=O)F)c1	2088595719	CZNSWGSLSNUPRS-KWQFWETISA-N	302.327	2.049	70	20	DEID	
O=C(NCCCOc1ccccc1)NCc1ccc(CO)cc1	217299814	AAPMTCYWLBTJCZ-UHFFFAOYSA-N	314.385	2.447	70	20	DEID	
C[C@@H]1C[C@@H](C)[C@H](C(=O)Nc2ccc(S(=O)(=O)F)cc2)O1	283615713	UWIMDGHTMLBPDS-KBVBSXBZSA-N	301.339	2.097	70	20	DEID	
O=C(OCC(=O)C1CCCC1)c1ccc(S(=O)(=O)F)cc1	838092447	GESNETLTYJUCBT-UHFFFAOYSA-N	314.334	2.261	70	20	DEID	
Cc1ccc2c(c1)[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)CC2	1347340072	LLLFOHYMGAYUFL-ZDUSSCGKSA-N	322.361	2.399	70	20	DEID	
CO[C@@H]1CCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)F)cc1	1349519436	TYVHVPJCWQTUSJ-VXGBXAGGSA-N	301.339	2.098	70	20	DEID	
CCc1ncc(NC(=O)N[C@H](COC)c2ccc(C)o2)cn1	161208268	YGSNEWUTIPPLHN-GFCCVEGCSA-N	304.350	2.450	70	20	DEID	
C[C@H](C(=O)NN1C(=O)NC2(CCCCC2)C1=O)c1ccccc1	161260633	XXVMOXOCFKPYFQ-LBPRGKRZSA-N	315.373	2.076	70	20	DEID	
C[C@@]1(c2ccccc2F)NC(=O)N(Cc2nccs2)C1=O	161293132	WFKWODBINLPXAV-AWEZNQCLSA-N	305.334	2.249	70	20	DEID	
O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)[C@H]2CCCNC2)C1	161452396	CGCSLDPKYFIRKO-LSDHHAIUSA-N	318.392	2.247	70	20	DEID	
C[C@H](CNC(=O)N1CCC[C@@](C)(O)C1)N(C)c1ccccc1	160301096	GYCPKFHPHBRADA-RHSMWYFYSA-N	305.422	2.068	70	20	DEID	
CCCC(=O)NC[C@H]1CCCN(C(=O)c2ccnn2C(C)C)C1	160421525	MRIZUTSWUMGUJM-CQSZACIVSA-N	320.437	2.233	70	20	DEID	
C[C@@H](NC(=O)NC[C@@](C)(O)c1ccc(F)cc1)c1ccccn1	159361384	GJGOOVDWJPOYPN-SJKOYZFVSA-N	317.364	2.489	70	20	DEID	
CCC[C@@H](OC)C(=O)Nc1ccc(F)c(CS(=O)(=O)F)c1	876319765	LNTZOLFPOKYJMV-GFCCVEGCSA-N	321.345	2.379	70	20	DEID	
CCN(C)CCNC(=O)c1c(C)nc(C(C)C)nc1SC	161059773	XRNBMKQLKGPOLQ-UHFFFAOYSA-N	310.467	2.312	70	20	DEID	
CCS(=O)(=O)c1cccc(CC(=O)Nc2ccc(C)nc2)c1	161275116	VFJUTSYEIHXDML-UHFFFAOYSA-N	318.398	2.365	70	20	DEID	
COCCN(C)CCCNC(=O)[C@H]1C[C@H]1c1sccc1C	161485865	HIHVCLOWWLQVBV-KGLIPLIRSA-N	310.463	2.245	70	20	DEID	
CCN1CCCN(C(=O)NCc2nc(C3CC3)cs2)CC1	160004361	LETDCDIEGGMXLH-UHFFFAOYSA-N	308.451	2.258	70	20	DEID	
Cc1nc(CCNC(=O)c2cc(N(C)C)ccn2)sc1C	160092289	TVZZFJVNBLOKLZ-UHFFFAOYSA-N	304.419	2.193	70	20	DEID	
CC(C)OC(=O)CCCNC(=O)N1CCC[C@@H](c2ncc[nH]2)C1	160228306	DZWDYEZJVHMYGI-CYBMUJFWSA-N	322.409	2.031	70	20	DEID	
Cn1cc(NC(=O)C(=O)NCC(C)(C)C2CCCCC2)cn1	160273618	UJDGOUUVVLKVOQ-UHFFFAOYSA-N	306.410	2.081	70	20	DEID	
Cn1cnc2cc(C(=O)Nc3ccc(-c4ncon4)cc3)cnc21	160333942	JJMRQGZVZRXQBC-UHFFFAOYSA-N	320.312	2.271	70	20	DEID	
O=C(NC[C@@H]1CCCO1)Nc1ccc(O[C@@H]2CCOC2)cc1	160383590	MQYMRYZLEHJOBP-LSDHHAIUSA-N	306.362	2.155	70	20	DEID	
C[C@H](CC(=O)NC[C@@H](O)CN1CCCCC1)c1ccc(F)cc1	160447131	KHCPHNZCSNHSRI-RHSMWYFYSA-N	322.424	2.282	70	20	DEID	
COCCS(=O)(=O)N1CCCCC[C@H]1c1ccc(C)o1	160631332	SGZDJALWXRJBJZ-ZDUSSCGKSA-N	301.408	2.481	70	20	DEID	
CC1(O)CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1	160633830	SDTKMTPKUMHFQF-UHFFFAOYSA-N	323.336	2.241	70	20	DEID	
CCC(CC)c1cc(C(=O)NCCCC(=O)NC2CC2)on1	160781666	KDNJIKXBIOUFTE-UHFFFAOYSA-N	307.394	2.367	70	20	DEID	
CCC[C@H]1CN(C(=O)NCCc2csc(CC)n2)CCO1	160923182	MZKCSBQJQLWNOH-ZDUSSCGKSA-N	311.451	2.459	70	20	DEID	
CN(Cc1cccn1C)C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21	160959904	IXPCGZCDOSKJRX-AWEZNQCLSA-N	315.348	2.249	70	20	DEID	
CCOC(=O)CCCNC(=O)c1c(C(C)C)nn(C)c1Cl	159827967	YGMORCTUWHTLGG-UHFFFAOYSA-N	315.801	2.270	70	20	DEID	
C[C@H]1CN(C(=O)Nc2ccc(C(C)(C)C(N)=O)cc2)C[C@H](C)O1	159839961	FOYLSMBXJGPWLR-RYUDHWBXSA-N	319.405	2.091	70	20	DEID	
C[C@@H](CCCO)NC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1	159831495	YJVKDBLXVRQTTC-BPUTZDHNSA-N	306.406	2.367	70	20	DEID	
CC(=O)N1CC[C@H](NC(=O)[C@H](C)CCc2cccc(F)c2)C1	159849789	RTPAULIMLPWMIO-WBMJQRKESA-N	306.381	2.131	70	20	DEID	
COC(=O)C1(NC(=O)c2ccc(N(C)C)cc2F)CCCCC1	159884052	YGIYWPVYFVJXFX-UHFFFAOYSA-N	322.380	2.497	70	20	DEID	
C[C@@H](CCO)CNC(=O)c1cccc(OCc2cccnc2)c1	161072398	AADLXKBJIZYMNJ-AWEZNQCLSA-N	314.385	2.409	70	20	DEID	
CN(C)c1ccc(C(=O)N[C@@H]2CCN(c3ccccn3)C2)cc1	161205034	ZTAUZDDVOQBFKC-OAHLLOKOSA-N	310.401	2.156	70	20	DEID	
CC(=O)NC1CCC(NC[C@H](c2ccc(F)cc2)N(C)C)CC1	161320667	BXCKWAJNFJLAQR-DAWZGUTISA-N	321.440	2.465	70	20	DEID	
CSCC[C@H](CO)NC(=O)Nc1ccc(N(C)C)cc1C	161445549	PEOCSKJKBBRHFS-GFCCVEGCSA-N	311.451	2.297	70	20	DEID	
COC[C@@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2C)C1CC1	160103910	XDYDCMWKVDPBSH-CQSZACIVSA-N	317.389	2.142	70	20	DEID	
CCn1cc(C(=O)C(=O)Nc2cc(OC)ccc2Cl)cn1	160306817	IPDZQWJQSVQTJB-UHFFFAOYSA-N	307.737	2.386	70	20	DEID	
CC(C)[C@H](O)CCNC(=O)COc1ccc2c(c1)CCCC2	159474634	DBTIWYOTHYTGBC-QGZVFWFLSA-N	305.418	2.467	70	20	DEID	
COc1ccc(CC[C@@]2(C)NC(=O)N(CC(F)F)C2=O)cc1	159529005	KGBTZIHDZUTERL-OAHLLOKOSA-N	312.316	2.203	70	20	DEID	
CCN1CCCN(C(=O)N[C@@H](C)c2nc(C(C)(C)C)no2)CC1	159930166	CBJSHVPLQJMCGP-LBPRGKRZSA-N	323.441	2.165	70	20	DEID	
C[C@H](CC(F)(F)F)NC(=O)c1ccc(S(=O)(=O)F)cc1	864241609	ZAUWDDSQPMHMSA-SSDOTTSWSA-N	313.272	2.416	70	20	DEID	
COCC(C)(C)C(=O)Nc1ccc(F)c(CS(=O)(=O)F)c1	876319429	WQGULECDPZGFGP-UHFFFAOYSA-N	321.345	2.236	70	20	DEID	
C[C@H]1[C@H](C)CCC[C@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1120866659	VPTPEUREKPMTEI-WCABBAIRSA-N	302.371	2.227	70	20	DEID	
Cc1cccc(F)c1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1338390252	OOCXEIKJYOSZGV-UHFFFAOYSA-N	300.286	2.373	70	20	DEID	
COc1cc(NC(=O)c2cccc(S(=O)(=O)F)c2)ccn1	1338943720	NUCRVGRHYSPXJK-UHFFFAOYSA-N	310.306	2.001	70	20	DEID	
C[C@H]1c2ccccc2CCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1	1340081691	GQVKHECWSMIDAR-JTQLQIEISA-N	322.361	2.432	70	20	DEID	
CCCOc1ccc(Cl)cc1C(=O)NCC[C@@H](O)COC	161159553	AEDXBJXWQFYECB-GFCCVEGCSA-N	315.797	2.256	70	20	DEID	
C[C@H](NCc1ccccc1N1CCOCC1)C1CCOCC1	161475699	AHWVKPAFCPXXJZ-HNNXBMFYSA-N	304.434	2.428	70	20	DEID	
Cc1cnccc1CCNC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C	161479773	ASCCPVIXFHBXIC-KFWWJZLASA-N	303.406	2.045	70	20	DEID	
CC[C@@H](NC(=O)CNC(=O)CC(C)(C)C)c1c(C)noc1C	160309481	JDVNVVFOGHIKNT-GFCCVEGCSA-N	309.410	2.411	70	20	DEID	
COc1c(CNC(=O)Nc2cccc(C(C)=O)c2)c(C)nn1C	160348497	QDFDTLPCFFMYEO-UHFFFAOYSA-N	316.361	2.261	70	20	DEID	
CCN(CCNC(=O)N1CCC[C@](C)(O)C1)c1ccccc1C	160380594	ZCNQGZUDIKOQGB-SFHVURJKSA-N	319.449	2.378	70	20	DEID	
CCC(CC)n1nccc1C(=O)NCC(C)(C)N1CCOCC1	160582574	KEDHJYSQEHCNJS-UHFFFAOYSA-N	322.453	2.085	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)c1c(F)ccc(F)c1OC	160661052	ZASWNYHVUJUBKB-MRVPVSSYSA-N	301.289	2.045	70	20	DEID	
COCCCCCNC(=O)NC[C@@](C)(O)c1ccc(F)cc1	160777352	AMASSTFYYSIKBH-MRXNPFEDSA-N	312.385	2.149	70	20	DEID	
COc1ccc(CN(C)Cc2cnc3cnccn23)c(OC)c1	160830440	YALZVVVGYCGAPQ-UHFFFAOYSA-N	312.373	2.379	70	20	DEID	
CCN1CCCN(C(=O)NC[C@@H]2CCCCN2CC(C)C)CC1	160917473	PQQFGSMWCKPCBG-KRWDZBQOSA-N	324.513	2.234	70	20	DEID	
C[C@H](NCc1ccccc1CS(C)(=O)=O)C1CCOCC1	160959506	UNFDBXCWPXIVNC-ZDUSSCGKSA-N	311.447	2.136	70	20	DEID	
CCCC(O)(CCC)CNC(=O)NC[C@H]1CCCCN1CC	159623359	DMEDCEOFMJTZLJ-OAHLLOKOSA-N	313.486	2.491	70	20	DEID	
Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NC[C@@H](O)C(C)C	159742500	OIRJVLOWLMUGHW-OAHLLOKOSA-N	319.380	2.375	70	20	DEID	
CCCN(C)c1ccc(C(=O)NCC2(OC)CCOCC2)cc1	159366329	OJAFZESQYGKBDI-UHFFFAOYSA-N	320.433	2.458	70	20	DEID	
C[C@H]1CO[C@H](C)CN1C(=O)c1cccc(NC(=O)N(C)C)c1	159573338	PBNRRCYJWRIMPD-NWDGAFQWSA-N	305.378	2.030	70	20	DEID	
CCC[C@H](O)CNC(=O)c1cc(OC)c(OC)cc1Cl	159394062	GQIMXBHVWOUHEQ-VIFPVBQESA-N	301.770	2.248	70	20	DEID	
CC(C)OCCCOC(=O)c1ccc(S(=O)(=O)F)cc1	490535728	ANZMTRKFPJGWEZ-UHFFFAOYSA-N	304.339	2.317	70	20	DEID	
C[C@@H]1O[C@H](C)[C@@H](C(=O)Nc2ccc(S(=O)(=O)F)cc2)[C@@H]1C	875551424	VEWRZDIGVZRGBM-COMAGPEQSA-N	315.366	2.343	70	20	DEID	
CCCOc1ccc(NC(=O)C2(NC(N)=O)CC2)cc1Cl	161317843	PFNMVJGHEOFHCN-UHFFFAOYSA-N	311.769	2.268	70	20	DEID	
CCO[C@@H]1C[C@H](O)C12CCN(CCCN1CCCCC1)CC2	161375757	DIDYGUQEJOVMKF-DLBZAZTESA-N	310.482	2.114	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)c1cc(C)ccc1-n1ccnc1	160324456	HDZMWQLBDLMDCP-ZDUSSCGKSA-N	315.373	2.252	70	20	DEID	
O=C(CNC(=O)CC1CCCC1)NCCc1c(F)cccc1F	160568165	SIACRMOEBJRFNK-UHFFFAOYSA-N	324.371	2.320	70	20	DEID	
COc1cc(/C=C/C(=O)N[C@@H](CCO)C(C)C)cc(OC)c1	160622337	UAPUUUPNALZXQB-JFDDCEBESA-N	307.390	2.240	70	20	DEID	
Cn1cnc2cc(C(=O)NCCC[C@H]3CCCC[C@H]3O)cnc21	160905832	UOQUKDRZAFGTIZ-IUODEOHRSA-N	316.405	2.029	70	20	DEID	
CCC(CC)(CC)CNC(=O)N(C)[C@@H](C)CS(C)(=O)=O	159802973	ZJQBJCQYZHOMTH-LBPRGKRZSA-N	306.472	2.277	70	20	DEID	
CC(C)c1nc(S(=O)(=O)N(C)Cc2ccc(O)cc2)c[nH]1	159616723	WBBUDYOMDRLXHN-UHFFFAOYSA-N	309.391	2.059	70	20	DEID	
CC(=O)N1CC[C@@H](NC(=O)C[C@@H](C)Cc2cccc(F)c2)C1	159851563	LJAPKILWIAKJQC-BLLLJJGKSA-N	306.381	2.131	70	20	DEID	
Cc1cc(N[C@H](C)C(=O)N(C)Cc2cccc(F)c2)nn1C	159673583	VRTWBGBXOFSHMH-GFCCVEGCSA-N	304.369	2.327	70	20	DEID	
CC[C@@H](c1ccncc1)N(C)S(=O)(=O)C[C@@H]1CCCCO1	159739642	MJEROMNFBDTODD-GJZGRUSLSA-N	312.435	2.363	70	20	DEID	
CC(C)N(CCN(C)C)C(=O)N[C@@H]1CCCC[C@@H]1n1cccn1	159366457	QEZUMQIIBHPCGD-CVEARBPZSA-N	321.469	2.348	70	20	DEID	
COC(=O)c1oc([C@@H](C)N2CCC(CC(N)=O)CC2)cc1C	159753346	OQQBETYEDVFBNG-LLVKDONJSA-N	308.378	2.023	70	20	DEID	
Cc1cc(N[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)nn1C	159597335	FYLIUBSEPNOBBD-OAHLLOKOSA-N	302.353	2.299	70	20	DEID	
O=C(CC1CCOCC1)Nc1cccc(S(=O)(=O)F)c1	460094139	PCJZNULOJOSUPD-UHFFFAOYSA-N	301.339	2.100	70	20	DEID	
COc1cc(C(=O)Nc2ccc(S(=O)(=O)F)cc2)ccn1	1321436652	RFYSRCHGRRPHAD-UHFFFAOYSA-N	310.306	2.001	70	20	DEID	
CC(C)OC(=O)CS[C@H]1CCCN(CC(F)(F)F)C1=O	159830719	FAGYBKMKHVCKGR-VIFPVBQESA-N	313.341	2.225	70	20	DEID	
O=C(Nc1ccc(OCC2CCOCC2)cc1)[C@H]1CSCN1	161034877	KYELEWLGXXLWMF-OAHLLOKOSA-N	322.430	2.093	70	20	DEID	
COC(=O)C(C)(C)c1ccc(NC(=O)[C@@H](N)CC(C)C)cc1	161039469	TYQNQUBCYKDWOW-AWEZNQCLSA-N	306.406	2.449	70	20	DEID	
CCc1ccccc1NC(=O)C(=O)N[C@@H](C)C1CCOCC1	161085317	XSEOEIFEPLFANV-LBPRGKRZSA-N	304.390	2.119	70	20	DEID	
CSCC[C@H](CO)NC(=O)Nc1ccn(CCC(C)C)n1	161206446	IXSKGDCPGIUCOG-GFCCVEGCSA-N	314.455	2.165	70	20	DEID	
COC[C@H](O)CCNC(=O)[C@H](C)CSc1ccc(F)cc1	161483540	IGQIIBAKICVAJI-DGCLKSJQSA-N	315.410	2.068	70	20	DEID	
CCC[C@@H](C)N1C[C@@H](C(=O)NCCc2cccc(O)c2)CC1=O	160237714	CLPKNOAMQBZBJG-HIFRSBDPSA-N	318.417	2.088	70	20	DEID	
CC(C)N1CCC(C(=O)N(C)c2ccc3c(c2)OCO3)CC1	160297755	DLNCTOBGWCXLAW-UHFFFAOYSA-N	304.390	2.499	70	20	DEID	
O=C(COC[C@H]1CCOC1)N[C@H]1CCOC2(CCCCC2)C1	160446026	LFYASYZDKVKWDS-GJZGRUSLSA-N	311.422	2.038	70	20	DEID	
CCS[C@@H]1CCC[C@@H]1NC(=O)c1ccc2[nH]c(=O)n(C)c2c1	160660946	GUAFNIZYQKCEPX-GXTWGEPZSA-N	319.430	2.271	70	20	DEID	
Cc1ccc([C@@H]2COCCN2C(=O)[C@@H]2CCC(=O)C[C@@H]2C)o1	160676834	PLPHLOAXZJZOSE-GLQYFDAESA-N	305.374	2.493	70	20	DEID	
CC(C)n1cc([C@H](C)NCCCCN2CCC[C@@H]2CO)cn1	160747433	BUXJOOJGRANEMX-DOTOQJQBSA-N	308.470	2.352	70	20	DEID	
CCc1ccc(/C=C/C(=O)N[C@@H]2CCCn3nc(C)nc32)o1	160876411	PMKMMQMRCOJWGG-MYSGNRETSA-N	300.362	2.406	70	20	DEID	
C[C@H]1CCCC[C@@H]1OCCSc1nnc(Cn2cncn2)o1	160977620	RSTQLVVDZBDOKI-RYUDHWBXSA-N	323.422	2.397	70	20	DEID	
COc1ccc(C(=O)N(C)C)cc1N[C@H](C)CCn1cccn1	159424174	JIYDYMXWAHLAIZ-CYBMUJFWSA-N	316.405	2.484	70	20	DEID	
CN(CC(=O)Nc1ccc(-n2ccnc2)cc1)[C@H]1CCSC1	159655084	PXMGQTPPJFKQGZ-HNNXBMFYSA-N	316.430	2.248	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)Nc1ccn(CCC(C)C)n1	159659470	NYCULHVEIIVUMF-LBPRGKRZSA-N	310.398	2.392	70	20	DEID	
CCCNC(=O)CCNC(=O)C(C)(C)c1ccc(OC)cc1	159487115	ZUMHYAYDVIDYEW-UHFFFAOYSA-N	306.406	2.005	70	20	DEID	
CC(C)OC1CCC(NS(=O)(=O)CC[C@H]2CCCO2)CC1	159376702	ZOFHLLNVKYKKQC-SHARSMKWSA-N	319.467	2.211	70	20	DEID	
CC(C)(C(=O)N1CCN(Cc2cc[nH]n2)CC1)c1ccccc1	159966054	KXBRHIZXIFAKQJ-UHFFFAOYSA-N	312.417	2.032	70	20	DEID	
C=CCCO[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)F)cc1	185104176	FXAAPZCPWDAZGZ-JTQLQIEISA-N	301.339	2.265	70	20	DEID	
Cn1nc(C2CC2)cc1C(=O)Nc1cccc(S(=O)(=O)F)c1	904588381	YHXGUULPWCIKPR-UHFFFAOYSA-N	323.349	2.208	70	20	DEID	
C=CCN(C(=O)c1ccc(S(=O)(=O)F)cc1)[C@H](C)COC	864243601	PAISPGISVMCEEV-LLVKDONJSA-N	315.366	2.008	70	20	DEID	
O=C(NC1(Cc2ccccc2)CC1)c1cc(S(=O)(=O)F)c[nH]1	1121094218	AKIISQNAYSLURD-UHFFFAOYSA-N	322.361	2.178	70	20	DEID	
O=C(CCc1ccc(S(=O)(=O)F)cc1)NC1C[C@@H]2C[C@H]2C1	1340770002	OMINFZMPZJUYTL-RYUDHWBXSA-N	311.378	2.192	70	20	DEID	
COc1cc(C(=O)NC2CCN(C(C)C)CC2)cc(OC)c1O	161075136	DEZJLDDXNCLDEA-UHFFFAOYSA-N	322.405	2.012	70	20	DEID	
CCc1ncc(NC(=O)N2CCC(OCCCOC)CC2)cn1	161156861	MMLCGOBGCWNQKF-UHFFFAOYSA-N	322.409	2.088	70	20	DEID	
COc1ccc(CNC(=O)N2CCO[C@H](C)[C@@H]2C)c(OC)c1	161375746	JQMDQBBPXRBGEW-NWDGAFQWSA-N	308.378	2.023	70	20	DEID	
NCCCNC(=O)/C=C/c1cc(Br)ccc1F	160022435	ZFZYDYPTMUKSEH-GORDUTHDSA-N	301.159	2.066	70	20	DEID	
NC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCCc3sccc32)C1	160105097	AQVSYTWALMAOTD-ZYHUDNBSSA-N	307.419	2.032	70	20	DEID	
O=C(CCNC(=O)Cc1ccccc1)NCC1(C2CC2)CC1	160217950	YUYOPVHPHHEQAH-UHFFFAOYSA-N	300.402	2.042	70	20	DEID	
CCN(CC)C(=O)c1ccc(NC(=O)C[C@@H]2COC(=O)C2)cc1	160361534	RDXKTHYKYZMSAT-LBPRGKRZSA-N	318.373	2.060	70	20	DEID	
O=C(NCC1(c2cccs2)CCCCC1)[C@H]1CNCCO1	160497693	GNIJBKRYYPOUIS-CYBMUJFWSA-N	308.447	2.055	70	20	DEID	
C[C@H](Oc1cccnc1)C(=O)N(C)c1ccc2c(c1)OCO2	160584687	PICXSGNMGLUZHV-NSHDSACASA-N	300.314	2.241	70	20	DEID	
Cn1c(C(=O)Nc2ccc(-c3csnn3)cc2)cccc1=O	160712413	GXMAYDWQYHFOAQ-UHFFFAOYSA-N	312.354	2.156	70	20	DEID	
CC(C)c1nc(N(C)C)nc(N(CCCO)CC(C)(C)C)n1	160765031	QKSQAGULTPEIRF-UHFFFAOYSA-N	309.458	2.296	70	20	DEID	
COCCCCS(=O)(=O)[C@H](C)c1cn(-c2ccccc2)nn1	159439384	HFQCKJBFZJCGCI-CYBMUJFWSA-N	323.418	2.170	70	20	DEID	
Cc1cnccc1CCNC(=O)NCc1cccc2c1OCO2	159882137	KGCTUTVCPBPLJZ-UHFFFAOYSA-N	313.357	2.161	70	20	DEID	
CCN1CCCN(C(=O)NCCc2ccc(C)c(OC)c2)CC1	159896338	BFOSIPMLOGYPCZ-UHFFFAOYSA-N	319.449	2.283	70	20	DEID	
CN(C)C(=O)CCCCSc1nnc(-c2ccccn2)n1C	159504552	LCFRCWIXNVIJQY-UHFFFAOYSA-N	319.434	2.228	70	20	DEID	
Cc1ccc(NC(=O)C(=O)NCCc2ccc(Cl)cc2)cn1	159743306	KIZXPBCQDBYZKO-UHFFFAOYSA-N	317.776	2.341	70	20	DEID	
COc1cccc(CNC(=O)[C@H]2CCC(=O)C[C@H]2C)c1OC	159777004	ILSZCAJLYAOJPM-RISCZKNCSA-N	305.374	2.325	70	20	DEID	
CCC[C@@H](O)CNC(=O)CCCc1ccc(OC)cc1OC	159393902	LKKCJTGYLZISRW-CQSZACIVSA-N	309.406	2.304	70	20	DEID	
COc1ccc(CNC(=O)NC2(C)CCC2)c(OC)c1OC	159598874	LHUVEQDLAIOJCK-UHFFFAOYSA-N	308.378	2.454	70	20	DEID	
CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CO)C(C)C	218722692	KMPYTPUVVFEYIH-CHWSQXEVSA-N	316.442	2.059	70	20	DEID	
C[C@@H](OCC1CC1)C(=O)Nc1cccc(S(=O)(=O)F)c1	769662484	OOJGWLCSCZCXDN-SECBINFHSA-N	301.339	2.098	70	20	DEID	
CSC(C)(C)CNC(=O)c1ccc(S(=O)(=O)F)cc1	865207936	AJUZEKLBIFKMIR-UHFFFAOYSA-N	305.396	2.216	70	20	DEID	
CC[C@H](CSC)NC(=O)c1cccc(S(=O)(=O)F)c1	1338261393	UJFZYLNDOUCGCH-SNVBAGLBSA-N	305.396	2.216	70	20	DEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCc2ccc(F)cc21	1338811222	AUAZMGPBCVMVEQ-UHFFFAOYSA-N	312.297	2.015	70	20	DEID	
COC[C@@H](NC(=O)Nc1cccnc1Br)C1CC1	161174595	RABUSBVVRUMBDQ-SNVBAGLBSA-N	314.183	2.391	70	20	DEID	
CN(CCO)C(=O)Nc1cc(CC2CC2)nn1-c1ccccc1	161013574	MJHJBOHMEICVBZ-UHFFFAOYSA-N	314.389	2.281	70	20	DEID	
C[C@H](CC(=O)c1cccs1)NC(=O)CCc1cnn(C)c1	161026802	WKYXZIPVCCZPIW-LLVKDONJSA-N	305.403	2.192	70	20	DEID	
Cc1conc1NC(=O)C(=O)N[C@H](c1ncccc1C)C(C)C	161211549	ARODGVZDUPKTQI-LBPRGKRZSA-N	316.361	2.138	70	20	DEID	
Cc1cccc([C@H](NC(=O)CCn2cncn2)c2ccccn2)c1	160038111	KQBQJOAESNJDHU-SFHVURJKSA-N	321.384	2.277	70	20	DEID	
CC1=NN(CC(C)C)C(=O)[C@H]1C(=O)Nc1ccc(F)c(F)c1	160119782	LMJFPWLSYQAJAK-CYBMUJFWSA-N	309.316	2.394	70	20	DEID	
C[C@@H](Cc1ccccc1F)NC(=O)[C@H]1CCn2ccnc2C1	160358316	XCSBHWCHHHTDEB-JSGCOSHPSA-N	301.365	2.332	70	20	DEID	
CC(C)[C@H](CCO)NC(=O)c1cccc(OC[C@H]2CCCO2)c1	160655401	LCOILLWMNNYISW-SJORKVTESA-N	321.417	2.381	70	20	DEID	
C[C@@H](C(=O)NC(C)(C)C(=O)NCC1CCCC1)C1CCOCC1	160657850	KJSRRHWROBMEGC-CYBMUJFWSA-N	324.465	2.250	70	20	DEID	
CC1(C)CCC(C(=O)NCC2(CS(C)(=O)=O)CC2)CC1	160964269	IGADXAYCWSANOK-UHFFFAOYSA-N	301.452	2.144	70	20	DEID	
CCC1(CC)[C@H](NC(=O)NCc2ccnc(OC)c2)C[C@H]1OC	159417062	UYEDXEGLKMHYHE-ZIAGYGMSSA-N	321.421	2.483	70	20	DEID	
CCCOc1cccc(NC(=O)N2C[C@@H](CO)OC[C@H]2C)c1	159421400	MGWPKJKRRUVUIF-DOMZBBRYSA-N	308.378	2.089	70	20	DEID	
Cc1ccc([C@H](O)CNS(=O)(=O)Cc2cccc(C)c2)cc1	159431883	YODICBGSEGWJNJ-QGZVFWFLSA-N	319.426	2.456	70	20	DEID	
COC(=O)CC1(CS(=O)(=O)N2CC[C@@H](C)C[C@@H](C)C2)CC1	159667460	XNWZNVQKKIHFLI-CHWSQXEVSA-N	317.451	2.028	70	20	DEID	
CC(=O)N1CC[C@H](NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2Cl)C1	159554207	KZRWLALSPGPGRR-SDDRHHMPSA-N	324.783	2.320	70	20	DEID	
Cc1noc(C)c1[C@@H](C)NC(=O)N1CCN(C)C[C@@H]1C(C)C	159950493	HQDFBCYYDCXSPE-BXUZGUMPSA-N	308.426	2.334	70	20	DEID	
C[C@H]1CCCN(CCNC(=O)[C@H](O)c2ccccc2Cl)C1	159543062	WEDXPQYKSJUJHT-SWLSCSKDSA-N	310.825	2.222	70	20	DEID	
CC(=O)N1CC[C@H](NC(=O)c2ccc(N(C)CC(C)C)cc2)C1	159630678	HGKZPCZVMMIXGK-INIZCTEOSA-N	317.433	2.129	70	20	DEID	
CCOc1cccc(NC(=O)N(C)CCNC(=O)C(C)C)c1	159636748	IVASLILKQKHFAW-UHFFFAOYSA-N	307.394	2.321	70	20	DEID	
NC1(CNC(=O)CSC[C@H]2CCCCO2)CCCCC1	159681098	XBJGTXFQRUESOL-CYBMUJFWSA-N	300.468	2.067	70	20	DEID	
C[C@@H](CN1CCCCC1)NC(=O)CCCc1nc(C2CC2)no1	159754098	WVXSVKIICJRQOL-ZDUSSCGKSA-N	320.437	2.260	70	20	DEID	
CCS(=O)(=O)c1cccc(CC(=O)N[C@@H]2CCC[C@@H]2C)c1	159825782	FNHNKUASSHUQIM-SWLSCSKDSA-N	309.431	2.328	70	20	DEID	
CCC[C@H](CCO)CNC(=O)c1ccncc1Br	159835052	FMIVXBZOTOAZDY-SNVBAGLBSA-N	315.211	2.373	70	20	DEID	
CSCC[C@H](N)C(=O)NCCOc1ccccc1C(C)C	159840159	VJTPQVMKEVKVLZ-AWEZNQCLSA-N	310.463	2.385	70	20	DEID	
COc1ccc(N(C)C(=O)Cn2nnnc2C(C)C)cc1Cl	160249423	AASBFNAMELRLOZ-UHFFFAOYSA-N	323.784	2.122	70	20	DEID	
Cc1cscc1NC(=O)C(=O)Nc1ccc2c(c1)OCCO2	160347342	LLISPDRVXRRGNM-UHFFFAOYSA-N	318.354	2.405	70	20	DEID	
CCCC1(CNC(=O)[C@@H]2CSCN2C(=O)C2CCC2)CC1	160700298	XMIVGKQAYINHJG-ZDUSSCGKSA-N	310.463	2.385	70	20	DEID	
CCO[C@H]1C[C@@H](N(C)C(=O)NC2CCN(C)CC2)C12CCC2	160714610	GHLTUMDJLGWORJ-CABCVRRESA-N	309.454	2.070	70	20	DEID	
Cc1csc(C(C)(C)NC(=O)N[C@@H]2CCN(CC3CC3)C2)n1	160770761	NXHNBYXRKSSVRJ-CYBMUJFWSA-N	322.478	2.470	70	20	DEID	
CCC(=O)N1CC[C@@H](NC(=O)C(C)(C)c2ccc(OC)cc2)C1	160798386	UWLDPDKHHXAZJX-CQSZACIVSA-N	318.417	2.100	70	20	DEID	
O=C(Nc1cccc(F)n1)[C@@H]1CCCN(CC(F)(F)F)C1	160859973	CFFPUGZYIPBYBJ-SECBINFHSA-N	305.275	2.434	70	20	DEID	
Cc1nc(-c2ncccn2)sc1C(=O)N[C@H](CO)CC(C)C	160956845	WJXQZBNLKYDYMX-NSHDSACASA-N	320.418	2.045	70	20	DEID	
C[C@H]1C[C@H](NCC(=O)Nc2ccc(Cl)cc2)CN1C1CC1	161111435	QYIAIFVQBHWEIR-FZMZJTMJSA-N	307.825	2.493	70	20	DEID	
COC(=O)[C@@H]1CCCN(C(=O)Nc2ccn(CCC(C)C)n2)C1	161159494	LFOJMOPSPAJISL-CYBMUJFWSA-N	322.409	2.346	70	20	DEID	
CSCC[C@@H](CO)NC(=O)Nc1ccn(CCC(C)C)n1	161206349	IXSKGDCPGIUCOG-LBPRGKRZSA-N	314.455	2.165	70	20	DEID	
Cc1ccc(NC(=O)[C@@H]2CCSC2)cc1S(=O)(=O)F	857675128	CEPYFNIJJDLBLA-SECBINFHSA-N	303.380	2.345	70	20	DEID	
N#C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)F)cc1)C1CCCC1	1121140411	RGKYJDILWFCTHJ-CQSZACIVSA-N	324.377	2.086	70	20	DEID	
CC[C@@H](CSC)NC(=O)Cc1ccc(S(=O)(=O)F)cc1	1517902929	TYOGRJIGQGJFFC-NSHDSACASA-N	319.423	2.145	70	20	DEID	
CC(C)N1C[C@H](NC(=O)NCCCCc2ccccc2)CC1=O	217289294	GVBDTUHWGQMBHS-MRXNPFEDSA-N	317.433	2.318	70	20	DEID	
Cc1ccc(NC(=O)[C@]2(C)CCOC2)cc1S(=O)(=O)F	857675570	SSHHPJLHGVIVKA-CYBMUJFWSA-N	301.339	2.018	70	20	DEID	
COCCOc1cc(C)ccc1NC(=O)N[C@H]1CC[C@H](O)CC1	161051375	YYQGSXOSGIADEZ-OKILXGFUSA-N	322.405	2.445	70	20	DEID	
CCOc1ccc(C(=O)CCC(=O)N[C@H]2CCC[C@@H](N)C2)cc1	161174341	RGUFFCYMIWZSBJ-CABCVRRESA-N	318.417	2.434	70	20	DEID	
CC[C@H](C)[C@@H](C)NC(=O)C(=O)Nc1cc(C(=O)OC)cs1	161387813	AOAQKTGAVJBXKS-DTWKUNHWSA-N	312.391	2.024	70	20	DEID	
O=C(C[C@H]1COC(=O)C1)N[C@@H]1CCSc2c(F)cccc21	160098761	KNGJJSGHISRKPJ-BXKDBHETSA-N	309.362	2.432	70	20	DEID	
CCc1cccc(CC)c1NC(=O)C(=O)NCCn1cccc1	160257880	GZLQTWFRTPUMNI-UHFFFAOYSA-N	313.401	2.368	70	20	DEID	
CCCCN(CC)C(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1	160348384	AEWYVCLERFCQQX-KRWDZBQOSA-N	317.389	2.003	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)Cn1c(C)cc2ccccc21	160428497	WWKGAZDQKQCCBD-GFCCVEGCSA-N	302.374	2.408	70	20	DEID	
CCC[C@H]1CN(C(=O)NCCN(C)Cc2ccccc2)CCO1	160519603	ZYYNJBGTYHQYQV-KRWDZBQOSA-N	319.449	2.329	70	20	DEID	
O=S(=O)(C1CC1)N1CC[C@H](Oc2ccccc2Cl)C1	160599586	MZAJGTXRAVVOOW-JTQLQIEISA-N	301.795	2.285	70	20	DEID	
CC(C)[C@@H]1NC(=O)N(Cc2noc(C3CCCCC3)n2)C1=O	160648047	IACVMXBNZOHQNO-LBPRGKRZSA-N	306.366	2.194	70	20	DEID	
COc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccccc1	160689015	ZBQILVWCFQDJTK-UHFFFAOYSA-N	305.355	2.351	70	20	DEID	
CCOC(=O)C1(C(=O)NCc2ncc(C(C)(C)C)o2)CCC1	159849396	GMPRQJLPDDSUFO-UHFFFAOYSA-N	308.378	2.322	70	20	DEID	
COc1cc(F)c([C@@H](C)NC(=O)CCNC(C)C)cc1OC	159963235	KCKMZPPPWAPIHL-LLVKDONJSA-N	312.385	2.408	70	20	DEID	
O=S(=O)(F)Oc1cccc(-n2ccc(C(F)(F)F)n2)c1	1887503783	WYRCRVPXKXBARV-UHFFFAOYSA-N	310.228	2.484	70	20	DEID	
O=C(Nc1ccc(S(=O)(=O)F)c(F)c1)C1CC(F)(F)C1	857674641	ODHQYLWGVPZHNO-UHFFFAOYSA-N	311.256	2.468	70	20	DEID	
O=C(Cc1ccc(S(=O)(=O)F)cc1)N1CC2CCC1CC2	1338036665	IQNBSJKABKRHJE-UHFFFAOYSA-N	311.378	2.288	70	20	DEID	
O=C(N[C@@H]1CCC[C@H](F)C1)c1ccc(S(=O)(=O)F)cc1	1337635322	FNRAUBNDTOTCJG-WDEREUQCSA-N	303.330	2.355	70	20	DEID	
CCCn1c(NC(=O)C[C@@H]2COC(=O)C2)nc2ccccc21	161044365	FOYRAGCGXIEEEO-NSHDSACASA-N	301.346	2.338	70	20	DEID	
CCc1n[nH]c(-c2ccccc2NC(=O)c2ccc(OC)nn2)n1	161154945	ONVPKGCFCXHPDS-UHFFFAOYSA-N	324.344	2.085	70	20	DEID	
CC(=O)N1CCC[C@H]1C(=O)Nc1ccccc1-n1ccc(C)n1	161252906	LLYLJKYDOKHLOJ-INIZCTEOSA-N	312.373	2.130	70	20	DEID	
Cc1cc(Cl)ccc1C(=O)N1CSC[C@H]1C(=O)N(C)C	160035351	PWKSPKBBQILFPA-LBPRGKRZSA-N	312.822	2.252	70	20	DEID	
CCc1ccc([C@H](CO)NC(=O)NCC2(CCOC)CC2)cc1	160087085	CRPBSXDSYJOXLY-INIZCTEOSA-N	320.433	2.398	70	20	DEID	
CSC[C@H]1CCCN1C(=O)c1cccc(-n2ccnn2)c1	160111555	LVAMHSFVUCUWRF-CQSZACIVSA-N	302.403	2.235	70	20	DEID	
Cc1cc(C(=O)N2CCC[C@H]2CN)c(C)n1Cc1ccccn1	160277761	MTLUKZKIEVFOKR-INIZCTEOSA-N	312.417	2.112	70	20	DEID	
COc1cccc2c1CC[C@@H]2NC(=O)N[C@H](C)Cn1ccnc1	160281145	ZCWFZXCARDZBDO-DOMZBBRYSA-N	314.389	2.267	70	20	DEID	
CC(C)COc1ccc(CNC(=O)c2cccc(=O)n2C)cc1	160556234	CYWNHSIUVHVJNP-UHFFFAOYSA-N	314.385	2.350	70	20	DEID	
C[C@H](CC(=O)NCCc1ccccc1)NC[C@H]1CCCC[C@@H]1O	160642244	ADYCQMRKGBHHCF-NXHRZFHOSA-N	318.461	2.265	70	20	DEID	
CS[C@@H](C)CC(=O)N1CCC[C@H]1C(=O)NCc1ccco1	160682455	XBTYVQIFOLHMTH-AAEUAGOBSA-N	310.419	2.028	70	20	DEID	
Cc1noc(Cl)c1CC(=O)NC[C@H](C)CN1CCCCC1	160692459	HBNWSBFLBRTZGU-NSHDSACASA-N	313.829	2.417	70	20	DEID	
CN(C)c1ccc(C(=O)N2CCOc3ncccc32)c(F)c1	160930589	DVGJVBQAAVXKES-UHFFFAOYSA-N	301.321	2.326	70	20	DEID	
CCO[C@H]1C[C@H](N(C)C(=O)NCCCn2cccn2)C12CCC2	160932712	CNTUOLAMKZXVGQ-GJZGRUSLSA-N	320.437	2.262	70	20	DEID	
C[C@@H]1CC(=O)CC[C@@H]1C(=O)Nc1cccc(-c2nncn2C)c1	159874831	QZUADLMXHPWZGF-ABAIWWIYSA-N	312.373	2.426	70	20	DEID	
CCOc1cc(CNC(=O)[C@H](N)c2ccccc2)ccc1OC	159587559	RRVATXXNFLNFJP-QGZVFWFLSA-N	314.385	2.410	70	20	DEID	
CN([C@@H](CN)C1CC1)S(=O)(=O)c1c(Cl)cccc1Cl	159941648	YMNXEEDVMUTXDM-NSHDSACASA-N	323.245	2.351	70	20	DEID	
CN([C@H](CN)C1CC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1	159964240	IGMUCNUOLXKARM-GFCCVEGCSA-N	323.245	2.351	70	20	DEID	
Cc1ccc(NC(=O)C2(C)CCOCC2)cc1S(=O)(=O)F	857675174	DPMMPRAVRVCHPU-UHFFFAOYSA-N	315.366	2.408	70	20	DEID	
C[C@@H](Oc1cccc(Br)c1)C(=O)N(C)[C@H](C)CO	160554609	HZKWEMAHHZMDOT-NXEZZACHSA-N	316.195	2.056	70	20	DEID	
CCCCNC(=O)NC(=O)COc1ccc(Cl)c(F)c1	161134259	ATLFSOZAXRXGJN-UHFFFAOYSA-N	302.733	2.484	70	20	DEID	
CC1CCN(CCCNC(=O)N[C@@H](CCO)C(C)(C)C)CC1	161468204	OEJPFICDTUCIHY-HNNXBMFYSA-N	313.486	2.205	70	20	DEID	
COC[C@H](O)CCNC(=O)[C@@H](C)CSc1ccc(F)cc1	161483428	IGQIIBAKICVAJI-WCQYABFASA-N	315.410	2.068	70	20	DEID	
CCOc1c(Cl)cc(CN2CCC[C@H]2C(N)=O)cc1OC	160316105	YPGUSNZIOKZQRE-LBPRGKRZSA-N	312.797	2.197	70	20	DEID	
COC(=O)c1cccc(OCc2noc([C@@H]3CCCO3)n2)c1	160884465	YGXWLQLEVDTZOX-LBPRGKRZSA-N	304.302	2.287	70	20	DEID	
CC(C)CN(CC(N)=O)C(=O)[C@H](C)Oc1ccc(Cl)cc1	159810702	BLQKKUCWYNUHOL-NSHDSACASA-N	312.797	2.077	70	20	DEID	
Cc1ccc(CNC(=O)NC[C@@](C)(O)c2ccc(F)cc2)cn1	159866093	LEAVZGJHPAGEOI-QGZVFWFLSA-N	317.364	2.236	70	20	DEID	
Cc1cc(NC(=O)[C@@H](C)N2CCc3ccccc3C2)c[nH]c1=O	159559010	NLDFJNOACXMMGK-CYBMUJFWSA-N	311.385	2.069	70	20	DEID	
CCCN(CC(=O)NC)C(=O)CCCOc1ccc(C)cc1C	159757648	ZCFVJKFSCNYYHF-UHFFFAOYSA-N	320.433	2.447	70	20	DEID	
CCn1ccnc1CNC[C@H]1CCCN1C(=O)OC(C)(C)C	217802770	SRFVTDOBQKMNCZ-CYBMUJFWSA-N	308.426	2.392	70	20	DEID	
C[C@H](OCC1CC1)C(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	857674200	FHKPGVHJQNHQCK-QMMMGPOBSA-N	319.329	2.238	70	20	DEID	
CC(C)C[C@](C)(C#N)NC(=O)c1cccc(S(=O)(=O)F)c1	1121032060	NQLHDYLYRQYXKQ-CQSZACIVSA-N	312.366	2.403	70	20	DEID	
CN(CC1CC1)c1ccc([N+](=O)[O-])cc1CS(=O)(=O)F	881824766	SXQAFYIEIJHDLL-UHFFFAOYSA-N	302.327	2.240	70	20	DEID	
Cc1ccc(CCNC(=O)c2cccc(S(=O)(=O)F)c2)o1	1339471793	HVPKHASCFZZSAL-UHFFFAOYSA-N	311.334	2.219	70	20	DEID	
CC[C@](C)(NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(F)(F)F	1517619466	ORTPMQFYZMTOSH-VIFPVBQESA-N	316.276	2.134	70	20	DEID	
C[C@@H](C(=O)N(C)c1ccccc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O	161069768	XWIDKZNTIIRRPZ-QEJZJMRPSA-N	314.385	2.213	70	20	DEID	
C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)cc1)C1CCOCC1	161082497	KEOPEFKBHDIGAS-SNVBAGLBSA-N	310.781	2.210	70	20	DEID	
COC[C@@H](O)CCNC(=O)Nc1cccc(COCC2CC2)c1	160300467	PCIVBPXDKCOGQA-INIZCTEOSA-N	322.405	2.132	70	20	DEID	
NC(=O)c1cnc(N2CCC[C@H]2CN2CCCCC2)c(Cl)c1	160462479	NLJDQVNECDXRDV-ZDUSSCGKSA-N	322.840	2.289	70	20	DEID	
O=C(N[C@@H]1CCN(CC2CC2)C1)N1CCCC[C@@H]1c1ncc[nH]1	160649959	SODJZQUEMYJXFY-HUUCEWRRSA-N	317.437	2.131	70	20	DEID	
CN[C@H]1CCN(C(=O)c2ccc(OCc3ccccn3)cc2)C1	160712955	NFBUZFQALPCJEQ-HNNXBMFYSA-N	311.385	2.095	70	20	DEID	
Cn1cnnc1CN1CCCN(Cc2ccc(Cl)cc2)CC1	160741822	TVELXGAQMFVSFL-UHFFFAOYSA-N	319.840	2.176	70	20	DEID	
COC(=O)c1csc(NC(=O)N2CC[C@@]3(CCOC3)C2)c1	160773903	MRPAOYYPNWAWLR-CQSZACIVSA-N	310.375	2.179	70	20	DEID	
COc1ccc(Cl)c(S(=O)(=O)N(C)[C@H]2CCSC2)c1	159423449	KHEUNTSOKGCJDY-VIFPVBQESA-N	321.851	2.475	70	20	DEID	
O=C(C[C@@H]1CCCCO1)Nc1cccn(CC(F)(F)F)c1=O	159853446	GNBZYNSVJUQHTJ-JTQLQIEISA-N	318.295	2.308	70	20	DEID	
Cc1nc(COc2ccc(NC(=O)CCNC(C)C)cc2)no1	159474939	IDHMHYRLVYOWLX-UHFFFAOYSA-N	318.377	2.284	70	20	DEID	
CC(=O)N1CC[C@H](CN(C)C(=O)NCC2CCC(C)CC2)C1	159927250	YRYHTBQGYRSEKQ-AVVWSFFYSA-N	309.454	2.323	70	20	DEID	
CCn1c(SCCCNC(C)=O)nc2ccc(F)cc2c1=O	159561277	DPPVWNLYSDCABQ-UHFFFAOYSA-N	323.393	2.174	70	20	DEID	
O=C(c1cccc(S(=O)(=O)F)c1)N(CC(F)F)C1CC1	1337519709	GDZNGZCTEUFXFG-UHFFFAOYSA-N	307.293	2.215	70	20	DEID	
COCC1(NC(=O)c2cccc(S(=O)(=O)F)c2)CCCC1	1338812115	DADXFWOEHOOBBA-UHFFFAOYSA-N	315.366	2.034	70	20	DEID	
CCCc1ccccc1NCC(=O)NCC(=O)NC(C)(C)C	161228129	YOYWTRRHYHUNHN-UHFFFAOYSA-N	305.422	2.082	70	20	DEID	
Cc1cnccc1CCNC(=O)N[C@H](C)Cc1c(C)noc1C	161426605	DHCLOFWEXOYXCN-GFCCVEGCSA-N	316.405	2.468	70	20	DEID	
O=C(N[C@H]1CCO[C@H](C2CC2)C1)N1CCC[C@@H](N2CCCC2)C1	160527359	LVFQSFNEMSVLKF-BBWFWOEESA-N	321.465	2.214	70	20	DEID	
CN[C@@H]1CCN(C(=O)c2csc(-c3ccccc3OC)n2)C1	160577751	XTIWRLHYVLLGKO-LLVKDONJSA-N	317.414	2.253	70	20	DEID	
COc1ccc(CCNC(=O)[C@H](N)CCSC)c(Cl)c1	160606389	XZMBPZMLEJYKRR-CYBMUJFWSA-N	316.854	2.088	70	20	DEID	
O=C1CCCC[C@@H]1[C@@H]1COCCN1C(=O)c1ccnc(Cl)c1	160618629	RGAIGHIYWTYUAJ-OLZOCXBDSA-N	322.792	2.335	70	20	DEID	
CCc1cc(O)nc(CN(C)Cc2ccc(O)c(OC)c2)n1	160726901	LNRWCLRYZZSVMH-UHFFFAOYSA-N	303.362	2.091	70	20	DEID	
COC(=O)[C@@H](Nc1cc(C)n(C)n1)c1cc(OC)cc(OC)c1	159655526	TXGALUUBKLNTJL-HNNXBMFYSA-N	319.361	2.072	70	20	DEID	
COc1cccc(-c2cc(C(=O)NCC[C@H](O)C(C)C)[nH]n2)c1	159463866	LLFZBJCBKXNYOM-INIZCTEOSA-N	317.389	2.222	70	20	DEID	
C[C@H](N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1cccc(F)c1F	159473261	BATPDRRLEDVXBL-IINYFYTJSA-N	320.343	2.154	70	20	DEID	
CCOC(=O)CCCCn1ccc(C(=O)OC(C)C)cc1=O	161063152	GWSLEFYGZQHOLP-UHFFFAOYSA-N	309.362	2.147	70	20	DEID	
CCOC(=O)NCCC(=O)N1CCC[C@@H]1c1ccc(COC)o1	161395548	HQONUGOYQVBYKK-CYBMUJFWSA-N	324.377	2.226	70	20	DEID	
CCN(CC)C(=O)N(C)CCN1CCN(c2ccccc2)CC1	160352997	RQAPEAMSUNHJGB-UHFFFAOYSA-N	318.465	2.202	70	20	DEID	
CN[C@H]1CCN(C(=O)/C=C/c2c(C)nn(-c3ccccc3)c2C)C1	160657433	FFOGPRQNAKVFIT-SCOAYWHSSA-N	324.428	2.323	70	20	DEID	
C[C@]1(NC(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)CCOC1	160709626	WMRJIANPOUXDMM-VYDXJSESSA-N	304.390	2.385	70	20	DEID	
COc1ccc(C(=O)CCC(=O)N[C@@H]2CCC[C@H](N)C2)cc1F	160887662	DKVPJOPTMZJXRG-QWHCGFSZSA-N	322.380	2.183	70	20	DEID	
CCOc1ccccc1N(C)CC(=O)N[C@H](C(C)=O)C(C)C	159425071	RBVQDYFICPJVBE-KRWDZBQOSA-N	306.406	2.251	70	20	DEID	
COC(=O)N[C@H](C(=O)N(C)c1ccc(OC)c(F)c1)C(C)C	159518873	DHLCJXYBBVUQGP-ZDUSSCGKSA-N	312.341	2.178	70	20	DEID	
Cc1cc(N(C)C)ccc1NC(=O)C(=O)N1CCC2(CCC2)C1	159362762	UNHNFFNGVNDAJE-UHFFFAOYSA-N	315.417	2.402	70	20	DEID	
O=S(=O)(OCC(F)(F)Sc1ncccn1)C(F)(F)F	1330232507	PMDSKABJXPKTGO-UHFFFAOYSA-N	324.252	2.028	70	20	DEID	
O=C(C[C@H]1C[C@H]2CC[C@H]1O2)Nc1cccc(S(=O)(=O)F)c1	460091356	JRRUMTDFAAURGM-IRUJWGPZSA-N	313.350	2.241	70	20	DEID	
CC(C)CO[C@H](C)C(=O)Nc1ccc(S(=O)(=O)F)cc1	460096241	WSBAWTSVYPSAKZ-SNVBAGLBSA-N	303.355	2.344	70	20	DEID	
COc1ccc(C(=O)Nc2cccc(S(=O)(=O)F)c2)cn1	460094923	QQZBHQQYVVQSFK-UHFFFAOYSA-N	310.306	2.001	70	20	DEID	
O=C(N[C@@H]1CCSC1)c1cc(S(=O)(=O)F)ccc1Cl	1337368176	GHQWIIZRQSJYET-SSDOTTSWSA-N	323.798	2.234	70	20	DEID	
CCOCCN(CC)C(=O)c1ccc(S(=O)(=O)F)cc1C	1337693679	BGZXEAXMFDAUGT-UHFFFAOYSA-N	317.382	2.152	70	20	DEID	
CSc1cccc(NC(=O)C(=O)N[C@@H](C)C2CCOCC2)c1	161165749	JAWQFJPWWVUITH-NSHDSACASA-N	322.430	2.278	70	20	DEID	
Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@@H]1CCCCCC[C@@H]1N	161186166	NEPUEWFVPXGGMU-MJEQTWJJSA-N	320.481	2.382	70	20	DEID	
Cc1ccc(Cl)c(S(=O)(=O)N(C)C[C@H](O)C2CC2)c1	161456720	WRNQNFIMTFNZIU-LBPRGKRZSA-N	303.811	2.040	70	20	DEID	
COC[C@@H](O)CCNC(=O)[C@@H](C)CSc1ccc(F)cc1	161483181	IGQIIBAKICVAJI-AAEUAGOBSA-N	315.410	2.068	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)CCCOc1cccc(F)c1	160047557	NDVPBPNLEAGCQK-GFCCVEGCSA-N	311.353	2.443	70	20	DEID	
O=C(C[C@H]1CCS(=O)(=O)C1)N[C@@H]1CCCc2sccc21	160169930	VZENFXJLLGNTDH-ZYHUDNBSSA-N	313.444	2.067	70	20	DEID	
CC1(C)CN(C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)CCO1	160242617	HMJYOXZCWUVWOM-OAHLLOKOSA-N	320.389	2.497	70	20	DEID	
CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(C)ccc1S(N)(=O)=O	160258586	DVCDROKUTGDENK-TZMCWYRMSA-N	324.446	2.341	70	20	DEID	
Cn1cnc2cc(C(=O)NCc3cc4ccccc4[nH]3)cnc21	160270655	KDPLSUAOVZORJO-UHFFFAOYSA-N	305.341	2.380	70	20	DEID	
CCCCN(CC)C(=O)NCc1c(CC)c(CC)n[nH]c1=O	160282448	NIKUWAAJPGCULS-UHFFFAOYSA-N	308.426	2.226	70	20	DEID	
CCN1CCN(Cc2ccc(CN[C@H](C)CCOC)cc2)CC1	160329039	GOUBUDGUNMIEFN-QGZVFWFLSA-N	319.493	2.339	70	20	DEID	
Cc1cc(C(=O)N(C)CC(C)(C)CN2CCOCC2)oc1C	160353123	YGMDCZNFHVHRQK-UHFFFAOYSA-N	308.422	2.327	70	20	DEID	
CC[C@@H](NCc1ccccc1CN1CCOCC1)[C@@H]1CCOC1	160486954	OXUJYXDAYRIJPW-RTBURBONSA-N	318.461	2.424	70	20	DEID	
CSc1ccccc1C(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1	160566127	TXEHKRMFFXQNNW-AAEUAGOBSA-N	304.415	2.149	70	20	DEID	
COCCNC(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1	160725678	UHILOLJLDNRAHQ-SNVBAGLBSA-N	315.776	2.003	70	20	DEID	
COc1ccc(CCC(=O)NOCc2cccnc2)cc1OC	160758160	SJAURPMZJSBWEH-UHFFFAOYSA-N	316.357	2.279	70	20	DEID	
CCN(CC)C(=O)[C@@H](C)ONC(=O)C(C)(C)c1ccccc1	160799071	BIEUUYCAMSFTLH-CYBMUJFWSA-N	306.406	2.269	70	20	DEID	
CN(CCCCNC(=O)c1cccc(=O)n1C)c1ccccc1	160852010	LQOCDAFTCOILAP-UHFFFAOYSA-N	313.401	2.032	70	20	DEID	
CC[C@@](C)(CCO)NC(=O)NC[C@@H]1CCCCN1CC(C)C	160928553	KEOZRMVDOOUHCX-RDJZCZTQSA-N	313.486	2.347	70	20	DEID	
CN(Cc1ccccc1N1CCCC1)C(=O)C[C@H]1COC(=O)C1	159415986	NJZUFCOCNUDJGC-CQSZACIVSA-N	316.401	2.198	70	20	DEID	
Cc1csc(CNC(=O)N(CCN(C)C)C2CCCC2)n1	159633660	RAFJXHPIOGPQSK-UHFFFAOYSA-N	310.467	2.467	70	20	DEID	
CC(C)CN(CC(C)C)C(=O)CSCCN1CCOCC1	159880852	IEGWNLKINRGSRN-UHFFFAOYSA-N	316.511	2.192	70	20	DEID	
Cn1cnc(S(=O)(=O)N2CC=C(C(C)(C)C)CC2)c1Cl	160770123	YHHWWDUJMRWMLJ-UHFFFAOYSA-N	317.842	2.440	70	20	DEID	
COC1(COC(=O)c2cccc(S(=O)(=O)F)c2)CCC1	1354181985	OMNATKHITUHEPD-UHFFFAOYSA-N	302.323	2.071	70	20	DEID	
CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)NCc2cnc(C)s2)C1	161042777	AMIXFBYABUXLET-YPMHNXCESA-N	323.462	2.352	70	20	DEID	
COC[C@@H](O)CCNC(=O)c1sc2ccc(OC)cc2c1C	161064143	XIKZRYJSUKLJLO-NSHDSACASA-N	323.414	2.346	70	20	DEID	
COc1ccc2nc(C)cc(C(=O)NCc3nc(C)no3)c2c1	161351033	VDMRCYRJIFPCHC-UHFFFAOYSA-N	312.329	2.173	70	20	DEID	
COc1ccc(CNC(=O)N2CCO[C@H](C)[C@H]2C)c(OC)c1	161375618	JQMDQBBPXRBGEW-VXGBXAGGSA-N	308.378	2.023	70	20	DEID	
CCC(CC)(CO)CNC(=O)Nc1nnc(C(F)F)s1	161422046	WEOYTNHZNNKRSP-UHFFFAOYSA-N	308.354	2.396	70	20	DEID	
CC(=O)NC1CCC(NCCNC(=O)CC2CCCCC2)CC1	161487615	IQBXXJWYOCREMJ-UHFFFAOYSA-N	323.481	2.110	70	20	DEID	
CC(=O)NC1CCC(N[C@H](C)[C@@H](O)c2ccc(F)cc2)CC1	161496008	MYLNSHLOQIDWFU-YHHLXUBKSA-N	308.397	2.285	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)Cc1c[nH]c2cccc(C)c12	160024050	LEYOMJRYZHREFJ-GFCCVEGCSA-N	302.374	2.477	70	20	DEID	
COC(=O)c1csc(NC(=O)C(=O)N[C@@H]2CCC[C@H](C)C2)c1	160353955	QJLIYMSUXAWVOH-GXSJLCMTSA-N	324.402	2.168	70	20	DEID	
C[C@H](CO)CNC(=O)CCc1nc(-c2ccc(Cl)cc2)no1	160442021	HZKRRVBQOZOKID-JTQLQIEISA-N	323.780	2.067	70	20	DEID	
COC[C@@H](NC(=O)c1c(-c2ccccn2)noc1C)C(C)C	160778384	UQCLBKHUDCAKQS-CYBMUJFWSA-N	303.362	2.446	70	20	DEID	
CC(=O)N1CCC(C(=O)NCCOc2ccccc2Cl)CC1	159410882	FUMBQSVPLPUVIK-UHFFFAOYSA-N	324.808	2.094	70	20	DEID	
CCCCN(C)S(=O)(=O)NC1CCC(OC(C)C)CC1	159417221	NNABNZTVSPDCSM-UHFFFAOYSA-N	306.472	2.289	70	20	DEID	
Cc1noc(COc2ccc(NC(=O)CCNC(C)C)cc2)n1	159663885	GVULBVUFIYEGGM-UHFFFAOYSA-N	318.377	2.284	70	20	DEID	
CC(C)C[C@@H](CNC(=O)N1CCC2(CCC2)C1)N1CCOCC1	159869956	MZOVGHINLFAYMA-INIZCTEOSA-N	323.481	2.319	70	20	DEID	
Cc1ccc(S(=O)(=O)NC[C@@H](O)C2CCCCC2)s1	159584627	SYFXONNDOKQBOF-GFCCVEGCSA-N	303.449	2.276	70	20	DEID	
O=C(c1ccc(F)c(C(F)(F)F)c1)N1CC[C@@H]2CNC[C@@H]21	218468769	RGFUPRVMBLGOMA-SKDRFNHKSA-N	302.271	2.278	70	20	DEID	
O=C(c1cc(S(=O)(=O)F)ccc1Cl)N1CC=CCC1	1517916164	GHUMGEBDSZNADC-UHFFFAOYSA-N	303.742	2.400	70	20	DEID	
CN(C)[C@H]1C[C@H](Nc2ccc(S(=O)(=O)F)cn2)C12CCC2	1550631204	NYIJZWKQQWLXQF-RYUDHWBXSA-N	313.398	2.025	70	20	DEID	
CC(C)(C)[C@@H]1CCCN(C(=O)N[C@H]2CCc3ncnn3C2)CC1	161242756	YAZGULQWMCDHBI-KGLIPLIRSA-N	319.453	2.451	70	20	DEID	
CSCC[C@@H](N)C(=O)NCc1ccccc1OCC1CC1	160100543	WAAWCVJXTNIZGP-CQSZACIVSA-N	308.447	2.172	70	20	DEID	
CC[C@H](C)c1cc(C(=O)N2CCC[C@@H](c3nncn3C)C2)on1	160337865	CRQZJEUKCACIQV-NWDGAFQWSA-N	317.393	2.336	70	20	DEID	
Cc1nc(CC(=O)N(CCC(N)=O)c2ccccc2)c(C)s1	160359226	JXHMASHASFSEEA-UHFFFAOYSA-N	317.414	2.211	70	20	DEID	
O=S1(=O)CCN(CCOc2cc(Cl)cc(Cl)c2)CC1	160402738	ZPZXPZCSQKVDJQ-UHFFFAOYSA-N	324.229	2.103	70	20	DEID	
CC[C@@H](C)[C@H](C)NCC(=O)NC[C@@H](c1ccccc1)N(C)C	160454715	GSPUXTJQLNESNY-VYDXJSESSA-N	305.466	2.430	70	20	DEID	
COc1ccc(C(=O)N2CCOC[C@@H]2[C@H]2CCCCC2=O)cc1	160643077	TYZWEPFPTOHIHO-HZPDHXFCSA-N	317.385	2.296	70	20	DEID	
COc1cccc(N2CCN(Cc3c(C)n[nH]c3C)CC2)c1	160697759	GPTDBRXMBQZOBH-UHFFFAOYSA-N	300.406	2.357	70	20	DEID	
CCCCn1ncc(C(=O)N2CCC(C(=O)OCC)CC2)c1C	160938795	VASGWRYJIMEBTL-UHFFFAOYSA-N	321.421	2.407	70	20	DEID	
CC(C)C[C@@H](CO)NC(=O)C(C)(C)CNC(=O)OC(C)(C)C	160973622	MIAVSPNMTZXZAE-LBPRGKRZSA-N	316.442	2.061	70	20	DEID	
CCOc1ccccc1NC(=O)C(=O)N1CCC2(CCC2)C1	159439943	VSJCKDXSGZDQBP-UHFFFAOYSA-N	302.374	2.426	70	20	DEID	
CCN1CCCC[C@@H]1CNC(=O)c1c(C)[nH]c(C(=O)OC)c1C	159755137	BIOMUWMOVVVCFJ-CYBMUJFWSA-N	321.421	2.022	70	20	DEID	
Cc1nccn1CCCCNC(=O)NC1C[C@H](C)O[C@@H](C)C1	159380466	KKGLYRPYNJBPCD-STQMWFEESA-N	308.426	2.227	70	20	DEID	
Cc1ccc(NC(=O)[C@H]2CCO[C@H](C)C2)cc1S(=O)(=O)F	857675204	GDWMZGNLRWHATF-MNOVXSKESA-N	315.366	2.407	70	20	DEID	
N#CCN(C(=O)c1cccc(S(=O)(=O)F)c1)C1CCCC1	1336948966	DWLJRCHSHOTYAB-UHFFFAOYSA-N	310.350	2.253	70	20	DEID	
O=S(=O)(F)c1ccc(N2CCC[C@@H]2[C@@H]2CCCOC2)nc1	1550628265	KPZCTYWIIICSGC-DGCLKSJQSA-N	314.382	2.135	70	20	DEID	
COC[C@H](O)CCNC(=O)CCCc1nc2ccccc2s1	161027756	NNXQUTHWBFXTAY-GFCCVEGCSA-N	322.430	2.133	70	20	DEID	
C[C@@H]1CN(C(=O)CC2CCNCC2)[C@H](c2ccccc2)CO1	161087785	BAUDSCOZAFHVLD-PBHICJAKSA-N	302.418	2.365	70	20	DEID	
Cn1ccnc1CS(=O)(=O)Cc1csc(-c2ccco2)n1	161201714	KQPFFICOFYANDZ-UHFFFAOYSA-N	323.399	2.252	70	20	DEID	
O=C([C@H]1CCCO1)N(Cc1ccccc1)CC1(O)CCCC1	161206916	SNNHOGUWJUGRLH-MRXNPFEDSA-N	303.402	2.499	70	20	DEID	
CCOCCC1(CNC(=O)c2cccc(-n3ccnn3)c2)CC1	161332246	ZOSDHUNSUAXCBN-UHFFFAOYSA-N	314.389	2.204	70	20	DEID	
Cc1nn(C)c2ncc(NC(=O)N3CCC[C@@H]3C[C@@H](C)O)cc12	160101584	LVQXEPXLWULXON-ZWNOBZJWSA-N	317.393	2.044	70	20	DEID	
CC[C@H](NC(=O)CCOC[C@H]1CCCO1)c1c(C)noc1C	160126577	XUNIAYYXAPAINV-KGLIPLIRSA-N	310.394	2.444	70	20	DEID	
O=C(COCC1CC1)Nc1ccccc1N1CCC(CO)CC1	160310687	KQIOPUDBUDPSGL-UHFFFAOYSA-N	318.417	2.260	70	20	DEID	
CC(C)[C@@H](CCO)NC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2	160574600	ACNUNQIBUVAFDX-ZYHUDNBSSA-N	322.430	2.256	70	20	DEID	
COc1ccc([C@H](C)[C@@H](C)NCC(=O)NCC(F)(F)F)cc1	160586566	YZENRXCMZLLDKX-GHMZBOCLSA-N	318.339	2.455	70	20	DEID	
Nc1nccnc1C(=O)NCCCOc1ccc2ccccc2c1	160718614	FFQWTPZKJTVQGT-UHFFFAOYSA-N	322.368	2.411	70	20	DEID	
CC(C)Cn1ncc2cc(C(=O)N[C@H]3CCC[C@@H](N)C3)cnc21	160764770	JBFMCFYITGQMAW-CABCVRRESA-N	315.421	2.087	70	20	DEID	
O=C(NCCCn1ccc2ccccc21)N1CC[C@@H](CO)C1	160841198	RZCGKSQJLXNCCJ-CQSZACIVSA-N	301.390	2.055	70	20	DEID	
COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ccc(C)cn1	160908929	QZYPKARIYFCQEX-UHFFFAOYSA-N	324.333	2.117	70	20	DEID	
Cc1ccccc1OCC(=O)N1CCC(NCC2CC2)CC1	159854351	DOVACMQYWQJISK-UHFFFAOYSA-N	302.418	2.364	70	20	DEID	
C[C@H]1CCN(S(=O)(=O)c2ncn(C)c2Cl)C[C@H](C)C1	159672761	BRONXCHSNPQKEG-VHSXEESVSA-N	305.831	2.130	70	20	DEID	
NC1(CNC(=O)CSC[C@@H]2CCCCO2)CCCCC1	159680961	XBJGTXFQRUESOL-ZDUSSCGKSA-N	300.468	2.067	70	20	DEID	
CC(=O)c1cc(C(=O)N[C@@H]2CCOC3(CCCC3)C2)n(C)c1	159555764	UGFUYLKMCUQZIU-CQSZACIVSA-N	304.390	2.449	70	20	DEID	
Cc1noc(C)c1CCNC(=O)NCCc1ccc(Cl)nc1	159585741	LCDYMJHHWPULEA-UHFFFAOYSA-N	322.796	2.424	70	20	DEID	
O=C(c1ccc(Cl)cc1O)N1CCS[C@H]2COCC[C@@H]21	161033269	BJZZOEQDHWYWHX-AAEUAGOBSA-N	313.806	2.392	70	20	DEID	
O=C(C[C@@H]1CNCCO1)N1CC2(CCCC2)c2ccccc21	159368985	PWDFKECHQCLMNZ-CQSZACIVSA-N	300.402	2.224	70	20	DEID	
O=C(c1ccc(OC(F)(F)F)cc1)N1CC[C@@]2(CCNC2)C1	159401382	LVNFYKKBUIQGKX-CQSZACIVSA-N	314.307	2.411	70	20	DEID	
CCc1ccc(O)c(C(=O)N2CCC(Cn3ccnn3)CC2)c1	159549716	WHSYSKRRABWZPV-UHFFFAOYSA-N	314.389	2.099	70	20	DEID	
Cc1ccc(-c2n[nH]cc2CN2CCC(CC(N)=O)CC2)o1	159736622	ZSDZCZSSJHSXMJ-UHFFFAOYSA-N	302.378	2.066	70	20	DEID	
C[C@@H](C(=O)NCc1nc2ccccc2n1C)C1CCOCC1	159746592	RKBAPRXKEIKYJU-GFCCVEGCSA-N	301.390	2.252	70	20	DEID	
CCc1ccc([C@@H](CO)NC(=O)N[C@H](C)C2CCOCC2)cc1	159961502	SPIGLTJJIIRSHK-CXAGYDPISA-N	320.433	2.397	70	20	DEID	
COCC(C)(C)NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C	159973091	QWOBGXXCLAOSEO-ZBFHGGJFSA-N	319.449	2.231	70	20	DEID	
O=C([C@@H]1OCCc2ccccc21)N1CCC(NCC2CC2)CC1	160148389	TTZIWEIFADBBKY-GOSISDBHSA-N	314.429	2.291	70	20	DEID	
Cc1cccc(C(=O)N2CCN(C(=O)OCC(C)C)CC2)c1O	160312915	WGNFABMLCHKHFV-UHFFFAOYSA-N	320.389	2.251	70	20	DEID	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)Nc2cn[nH]c2)C1	160394575	XQDPMIFMFYOJJF-GHMZBOCLSA-N	308.382	2.432	70	20	DEID	
Cc1cc(C(=O)N2CCOC[C@H]2[C@@H]2CCCCC2=O)c(C)o1	160412046	JZDVEQSJDTXZFF-ZFWWWQNUSA-N	305.374	2.497	70	20	DEID	
CCN(Cc1ccc(C(=O)NCC(C)(C)C(N)=O)cc1)C(C)C	160486387	CFDGWPHQEKOAKD-UHFFFAOYSA-N	319.449	2.158	70	20	DEID	
O=C(NC[C@@H]1CCC[C@H](O)C1)Nc1ccn(CC(F)(F)F)n1	160688360	OTFAWDQYQRAZGB-ZJUUUORDSA-N	320.315	2.118	70	20	DEID	
COC(=O)C[C@@H]1CSCCN1C(=O)C[C@@H](C)c1ccncc1	160755194	DTUJWQRBIZXJIM-TZMCWYRMSA-N	322.430	2.082	70	20	DEID	
Cc1ccc(-n2cnnc2SCc2nncn2C)c(C)c1	160988546	ZOBXKCHEFNQWNB-UHFFFAOYSA-N	300.391	2.305	70	20	DEID	
Cc1ccccc1C[C@H](C)NC(=O)CS(=O)(=O)C(C)(C)C	161109813	KOFIMNZOMMOBEQ-ZDUSSCGKSA-N	311.447	2.256	70	20	DEID	
Cn1cnc(-c2ccc(NC(=O)NC[C@@]3(C)CCCO3)cc2)n1	161290478	OELNMEZEGNUJSS-MRXNPFEDSA-N	315.377	2.173	70	20	DEID	
COc1ccc([C@H](C)NC(=O)N[C@@H]2CC(=O)N(C(C)C)C2)cc1	217288149	WSBUIMHBQRGTRR-GXTWGEPZSA-N	319.405	2.065	70	20	DEID	
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CO)C(C)C	218722624	KMPYTPUVVFEYIH-QWHCGFSZSA-N	316.442	2.059	70	20	DEID	
O=S(=O)(F)CCN1CCCc2c(OC(F)F)cccc21	883954622	UFVOEYNRXQIOHH-UHFFFAOYSA-N	309.309	2.340	70	20	DEID	
O=C(Cc1ccc(S(=O)(=O)F)cc1)NC[C@H]1C[C@H]2C=C[C@H]1C2	1262817554	HTZDFRODWIKJLO-MELADBBJSA-N	323.389	2.216	70	20	DEID	
O=[N+]([O-])c1ccc(N2CCC[C@H](F)C2)c(CS(=O)(=O)F)c1	882311453	NSHPVRJZEBESJM-JTQLQIEISA-N	320.317	2.332	70	20	DEID	
O=S(=O)(F)c1ccc(NC[C@@]23CCC[C@H]2OCC3)nc1	1551190422	AEDIFXNFFUCESS-YPMHNXCESA-N	300.355	2.111	70	20	DEID	
CC[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)c1c(C)noc1C	160010982	IWPKZTJOAUQMCL-JQWIXIFHSA-N	309.410	2.410	70	20	DEID	
Cc1cc(CN2CCN(C(=O)c3cccc(C)c3F)CC2)on1	160239719	LOWGZDMKEZSOJC-UHFFFAOYSA-N	317.364	2.389	70	20	DEID	
C[C@@H](CO)N(C)C(=O)CCc1ccc(OC(F)(F)F)cc1	160529048	KBDKKLNQZAXLTE-JTQLQIEISA-N	305.296	2.357	70	20	DEID	
CC(C)Oc1ncccc1NC(=O)CS(=O)(=O)C(C)(C)C	160796892	UKVADLOCRDMANO-UHFFFAOYSA-N	314.407	2.021	70	20	DEID	
O=C(c1ccccc1OCc1cscn1)N1CCCNCC1	160838053	LPCLOBOQOUOEOT-UHFFFAOYSA-N	317.414	2.158	70	20	DEID	
CCCOc1ccc(CNC(=O)NCC[C@@H](O)CC)cc1OC	160959830	CKWQOTGWDLWBLT-AWEZNQCLSA-N	324.421	2.444	70	20	DEID	
CCOC(=O)CN(C)[C@H]1CCCN(c2ccccc2Cl)C1=O	159705130	YFGBREBEZXARJH-AWEZNQCLSA-N	324.808	2.330	70	20	DEID	
CCC[C@H](O)CNC(=O)CCCc1ccc(OC)cc1OC	159393742	LKKCJTGYLZISRW-AWEZNQCLSA-N	309.406	2.304	70	20	DEID	
COC(=O)c1oc([C@H](C)N2CCC[C@H](CNC(C)=O)C2)cc1C	159781355	IEOIDNUPFUHWHB-GXTWGEPZSA-N	322.405	2.284	70	20	DEID	
O=C(NCc1ccc(NC(=O)C(F)(F)F)cc1)C(F)(F)F	216787459	BMISLCUMEYPUTB-UHFFFAOYSA-N	314.185	2.366	70	20	DEID	
O=C(C[C@@H]1C[C@H]2CC[C@H]1O2)Nc1cccc(S(=O)(=O)F)c1	460091364	JRRUMTDFAAURGM-UFGOTCBOSA-N	313.350	2.241	70	20	DEID	
CCCCO[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)F)c1	460089912	GENMJBIHDGNKIL-JTQLQIEISA-N	303.355	2.489	70	20	DEID	
COc1cccc(OCCCNC(=O)c2ccc(CN)cc2)c1	161359920	PQBNDRZWKIIENY-UHFFFAOYSA-N	314.385	2.353	70	20	DEID	
CC[C@@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)c1c(C)noc1C	160010844	IWPKZTJOAUQMCL-ZYHUDNBSSA-N	309.410	2.410	70	20	DEID	
CC(C)(C)c1nsc(N2CCC[C@H](Cn3ccnn3)C2)n1	160071573	GSEUNLHUSASERB-NSHDSACASA-N	306.439	2.344	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)Cc1c[nH]c2cc(F)ccc12	160079381	JRWXDKREGADCKU-JTQLQIEISA-N	306.337	2.307	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)c1cnn(-c2ccccc2)c1C	160123165	AAOWPQZIAIIHTM-LBPRGKRZSA-N	315.373	2.252	70	20	DEID	
CC(C)[C@H]1C(=O)NCCN1Cc1noc(C2CCCCC2)n1	160116387	ODQWVMUPUKQBPL-AWEZNQCLSA-N	306.410	2.074	70	20	DEID	
CCOC(=O)NCCCC(=O)N(C)Cc1ncc(CC)s1	160254927	YAYAUVHOXBVLRY-UHFFFAOYSA-N	313.423	2.190	70	20	DEID	
COC[C@H](O)CCNC(=O)Nc1cccc(COCC2CC2)c1	160300331	PCIVBPXDKCOGQA-MRXNPFEDSA-N	322.405	2.132	70	20	DEID	
CC1CCC(CNC(=O)c2ccc3[nH]c(=O)n(C)c3c2)CC1	160787084	KCLBVHPQTDCBJD-UHFFFAOYSA-N	301.390	2.423	70	20	DEID	
CCc1ncnc(N(CCC(=O)OC)Cc2ccncc2)c1F	160896674	UUDZJWGWPWSZGM-UHFFFAOYSA-N	318.352	2.143	70	20	DEID	
CCn1c(C)cc(C(=O)CSCCN2CCOCC2)c1C	159804347	WMLXYPAOBIZBEB-UHFFFAOYSA-N	310.463	2.373	70	20	DEID	
Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)[C@@H]2CCNC2)cc1	159537300	WHAPQMRHUFQZLC-BRWVUGGUSA-N	302.418	2.188	70	20	DEID	
CCCCn1ncc(NC(=O)NCc2ccnc(C)n2)c1C	159732948	QCNHTALYACBYJM-UHFFFAOYSA-N	302.382	2.412	70	20	DEID	
CN(C)CCn1ccc(NC(=O)N(CC2CC2)CC2CC2)n1	161091765	XBWZKNBXPYBONF-UHFFFAOYSA-N	305.426	2.099	70	20	DEID	
CN(CC(C)(C)CN1CCOCC1)C(=O)C1C(C)(C)C1(C)C	160030022	BHUQCGFWJAPPSU-UHFFFAOYSA-N	310.482	2.485	70	20	DEID	
Cc1c(CNC(=O)N[C@@H]2CCc3c(F)cccc32)cnn1C	160535989	GKJUJTYCCUQHLE-OAHLLOKOSA-N	302.353	2.354	70	20	DEID	
Cc1nn(C)cc1CNCCc1cc(Cl)c2c(c1)OCCO2	159659955	XKNDRLJOVCCVCS-UHFFFAOYSA-N	321.808	2.485	70	20	DEID	
Cc1onc(-c2ccncc2)c1C(=O)N(C)[C@H]1CCCN(C)C1	159911298	CPSCBTLTKSFAAO-AWEZNQCLSA-N	314.389	2.211	70	20	DEID	
CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NCCc2cccnc2)C1	159563416	GDTSNFSPWOMXTN-GOEBONIOSA-N	317.433	2.025	70	20	DEID	
COc1ccccc1[C@@H](C)N(C)C(=O)CN1CCCC[C@@H]1CO	159764239	JVTOKSDXGKVKFC-HUUCEWRRSA-N	320.433	2.061	70	20	DEID	
N#CC1(NC(=O)c2ccc(S(=O)(=O)F)cc2)CCCCC1	864240183	QZPDXVXFSHAHLN-UHFFFAOYSA-N	310.350	2.301	70	20	DEID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N[C@@H]1CCS[C@H]1C	1340768235	CWUYITQGBBZEGH-JOYOIKCWSA-N	317.407	2.277	70	20	DEID	
CCCCN(C)CCNC(=O)Nc1cc(C(=O)OC)cs1	161020518	CEXUJXHOFNXWFT-UHFFFAOYSA-N	313.423	2.388	70	20	DEID	
CCOc1ccccc1NC(=O)CN(CC)Cc1cnn(C)c1	161081540	UYFOQOOXLYPZDC-UHFFFAOYSA-N	316.405	2.279	70	20	DEID	
CCC[C@@H](N)C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1	161083562	JROATYGTICCQBR-SSDOTTSWSA-N	306.250	2.457	70	20	DEID	
CNC[C@H]1CCCN1C(=O)[C@@H]1COc2ccc(Cl)cc2C1	161161200	LZVRTJJMBNNUBG-GXTWGEPZSA-N	308.809	2.102	70	20	DEID	
Cc1ccc(NC(=O)NCCCN2CCCCCC2=O)cn1	161302674	GWAOQFXULBHDDC-UHFFFAOYSA-N	304.394	2.304	70	20	DEID	
CCCN(CC(=O)NC)C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F	161388218	JBPDZAJGOBVCRZ-NEPJUHHUSA-N	310.344	2.053	70	20	DEID	
CCCS(=O)(=O)CC(=O)N[C@H]1CCCc2sccc21	160053766	XMBFXSMSFHNNIX-NSHDSACASA-N	301.433	2.067	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)Cc1c[nH]c2c(C)cccc12	160233028	IJQUCXRCNBIHDE-LBPRGKRZSA-N	302.374	2.477	70	20	DEID	
Cc1c(C(=O)N(C)CC(=O)OC(C)(C)C)cnn1CC(C)C	160320733	ZLOUPLOJPVOSCI-UHFFFAOYSA-N	309.410	2.261	70	20	DEID	
Cc1nc(CCC(=O)N(C)[C@H](C)CO)oc1-c1ccccc1	160370453	QVWDDHULDFFYFW-GFCCVEGCSA-N	302.374	2.422	70	20	DEID	
CN(Cc1cccn1C)C(=O)[C@H]1CCCN1C(=O)C1CCCC1	160398471	YOXLETTUZLKHRI-MRXNPFEDSA-N	317.433	2.165	70	20	DEID	
Cc1cc(C)n(Cc2cccc(C(=O)N(C)[C@@H](C)CO)c2)n1	160553901	NDVZNEQVFRVPBC-AWEZNQCLSA-N	301.390	2.001	70	20	DEID	
COc1cc(N(C)C(=O)[C@@H]2CCC[C@@H](N)C2)cc(OC)c1OC	160854643	FURXQVYXBSRUIG-VXGBXAGGSA-N	322.405	2.193	70	20	DEID	
Cc1onc(-c2ccncc2)c1C(=O)N[C@H](C)[C@@H]1CCOC1	160955444	ZVQUCUCNBZKTIA-ZWNOBZJWSA-N	301.346	2.200	70	20	DEID	
Cn1cnnc1CSc1nnc2sc3ccccc3n12	160964203	ULNMUKKBOXNHRP-UHFFFAOYSA-N	302.388	2.365	70	20	DEID	
O=C(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1cc[nH]c1	159804104	HYOJECHMCHOJEL-CYBMUJFWSA-N	321.739	2.343	70	20	DEID	
CN(C)C(=O)[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1	159817876	YHJRYCRNAXPKQI-ZDUSSCGKSA-N	321.446	2.026	70	20	DEID	
CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCC[C@H]2CC)c1	159646005	NWGAKJIXPYZHFB-IUODEOHRSA-N	324.446	2.293	70	20	DEID	
C[C@H]1CN(C(=O)CCc2cc3ccccc3[nH]c2=O)[C@@H](C)CO1	159752847	DMTDRZLPDDFSGG-STQMWFEESA-N	314.385	2.097	70	20	DEID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)[C@H]1CSCCS1	274988724	RFLALSHQHAKWBZ-SNVBAGLBSA-N	321.420	2.132	70	20	DEID	
N#Cc1cccc(NC(=O)c2ccc(S(=O)(=O)F)cc2)c1	864238509	MSNQZDJEONFIGY-UHFFFAOYSA-N	304.302	2.469	70	20	DEID	
C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cc(S(=O)(=O)F)c[nH]1	1348695322	AXGHJJYFEDCQAN-BREBYQMCSA-N	314.382	2.466	70	20	DEID	
CS[C@H](C)CC(=O)Nc1ccccc1CN1C(=O)CCC1=O	161148692	JRNCEEGTJXBWCH-LLVKDONJSA-N	320.414	2.416	70	20	DEID	
Cc1conc1NC(=O)C(=O)N[C@H]1CCC[C@@H]1c1ccccc1	161160898	OKYDKMORUSXVMY-KGLIPLIRSA-N	313.357	2.374	70	20	DEID	
CCN1CCN(C[C@H](C)CNC(=O)[C@H](C)c2ccsc2)CC1	160120129	YUMRMYPJJYXLRE-HUUCEWRRSA-N	323.506	2.241	70	20	DEID	
CCCCn1ncc(NC(=O)N(C)CCn2cccn2)c1C	160245362	WZWXMAQPRMAWRU-UHFFFAOYSA-N	304.398	2.352	70	20	DEID	
Cc1c(CNC(=O)N2CCc3cccc(F)c3C2)cnn1C	160305374	UMMSGQQJHXMOFM-UHFFFAOYSA-N	302.353	2.136	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)[C@H]1Cc2cc(C)c(C)cc2O1	160326311	IYCVDUOVWUXOKN-IUODEOHRSA-N	305.374	2.065	70	20	DEID	
O=C1CCCC[C@@H]1[C@@H]1COCCN1C(=O)c1cccc(F)c1	160391863	JXLASYWTBVYNFJ-CABCVRRESA-N	305.349	2.426	70	20	DEID	
COc1ccc(S(=O)(=O)Nc2[nH]nc(C)c2C)c(C)c1C	160479984	IUWAFGVVLSGJLJ-UHFFFAOYSA-N	309.391	2.453	70	20	DEID	
CCC(CC)CNC(=O)NC[C@H](O)COc1cccc(C)c1	160545748	HPNGQRYAYAKNKV-HNNXBMFYSA-N	308.422	2.470	70	20	DEID	
CCCN(CC(=O)N(C)C)C(=O)c1cnn(C(C)C)c1C1CC1	160606614	KHPWMRFXYOBQIO-UHFFFAOYSA-N	320.437	2.282	70	20	DEID	
NC(=O)[C@@H]1CCCC[C@H]1NC(=O)c1cc(F)c(Cl)cc1F	160735135	JZVHRODMZXJSQB-JMCQJSRRSA-N	316.735	2.392	70	20	DEID	
CCC[C@@H]1CN(C(=O)NCCc2csc(CC)n2)CCO1	160923051	MZKCSBQJQLWNOH-CYBMUJFWSA-N	311.451	2.459	70	20	DEID	
CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1cc(C)c(C)o1	159630944	MCLWMGUSCVOMIU-JQWIXIFHSA-N	310.419	2.326	70	20	DEID	
CCOC(=O)CCc1ccc(NC(=O)N(CCO)C2CC2)cc1	159637291	OCLWDJWKZOQZPA-UHFFFAOYSA-N	320.389	2.171	70	20	DEID	
O=C(c1cccc2c1OCO2)N1CCC(NCC2CC2)CC1	159836329	QYOOHQJQCQTBGX-UHFFFAOYSA-N	302.374	2.020	70	20	DEID	
CC[C@@H](NC(=O)N1CCCN(CC)CC1)c1c(C)nn(C)c1C	159925560	SQHPUXOHVGROBW-OAHLLOKOSA-N	321.469	2.225	70	20	DEID	
CN(C(=O)NCCc1cscn1)[C@@H]1CCCc2c1cnn2C	159766037	UUXGMXPUUHZROU-CYBMUJFWSA-N	319.434	2.138	70	20	DEID	
CCc1cccc(C)c1NC(=O)N(CC)CCS(C)(=O)=O	159784942	HAVLVMMDWDTRTC-UHFFFAOYSA-N	312.435	2.456	70	20	DEID	
COc1cc(C)cc(CNC(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)c1	159997856	FFYRFSPSARQTKT-DZGCQCFKSA-N	317.433	2.428	70	20	DEID	
C[C@@]1(C(=O)Nc2cccc(S(=O)(=O)F)c2)CCCOC1	277594290	NWJAYBMMJMFDBF-CYBMUJFWSA-N	301.339	2.100	70	20	DEID	
CC[C@H]1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1516690354	STTBTILTMVSUTM-VHSXEESVSA-N	302.371	2.372	70	20	DEID	
CSCc1nc2ccccc2n1CC(=O)NC[C@@H](C)CCO	161002278	FYGQXPKDXSDIQE-LBPRGKRZSA-N	321.446	2.034	70	20	DEID	
Cc1cc(C)cc([C@@H](C)NC(=O)C(=O)Nc2nocc2C)c1	161110109	AJXNEEQDURLJCY-GFCCVEGCSA-N	301.346	2.416	70	20	DEID	
CC1(C)CC(NC(=O)N[C@H](CCO)C(C)(C)C)CC(C)(C)N1	161128901	PNQCVPBYVYCDIF-CYBMUJFWSA-N	313.486	2.392	70	20	DEID	
C[C@H]1CN(C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)C[C@@H](C)O1	160120209	QVOMZVZTVPGVFN-DVOMOZLQSA-N	320.389	2.495	70	20	DEID	
CNC(=O)CCCN(C)C(=O)Nc1cc(Cl)ccc1F	160261530	RJLVVGDJJBFLEQ-UHFFFAOYSA-N	301.749	2.469	70	20	DEID	
COc1ccc([C@@H](C)N[C@@H]2CCc3nc(C)nn3C2)c(F)c1	160329082	BLKKNMCVRXUURX-ZYHUDNBSSA-N	304.369	2.400	70	20	DEID	
COc1cccc(-c2cc(C(=O)N[C@H](C)[C@H]3CCOC3)[nH]n2)c1	160355273	GEWZPIPDUXWIBI-YPMHNXCESA-N	315.373	2.240	70	20	DEID	
Cn1cc(NC(=O)c2n[nH]c3ccccc23)cc(Cl)c1=O	160583686	DDVVCRUBCWNDPT-UHFFFAOYSA-N	302.721	2.167	70	20	DEID	
CCOCCC1(CNC(=O)c2c(C)cc(C)[nH]c2=O)CCC1	160639021	PHMUGYILBANMLT-UHFFFAOYSA-N	306.406	2.318	70	20	DEID	
COC(=O)C[C@H]1CSCCN1C(=O)C[C@@H](C)c1ccncc1	160754949	DTUJWQRBIZXJIM-OCCSQVGLSA-N	322.430	2.082	70	20	DEID	
CC[C@H](C)[C@](C)(O)CNC(=O)Nc1cc(C(=O)OC)cs1	160894416	CYQABVRSLJQROH-LKFCYVNXSA-N	314.407	2.453	70	20	DEID	
Cc1onc(-c2ccncc2)c1C(=O)N[C@@H](C)[C@@H]1CCOC1	160955342	ZVQUCUCNBZKTIA-GXFFZTMASA-N	301.346	2.200	70	20	DEID	
COCCCNC(=O)[C@H](C)N[C@H](C)c1cccc(F)c1F	159431153	AVUBXNTXDUODMH-MNOVXSKESA-N	300.349	2.157	70	20	DEID	
C[C@@H](CC(=O)Nc1cnn(CC(F)(F)F)c1)C1CCNCC1	159701041	VYTDDHACODOLMQ-JTQLQIEISA-N	318.343	2.410	70	20	DEID	
CN(C(=O)NC[C@]1(C)CCCO1)[C@@H]1CCCc2c1cnn2C	159548507	IWINIRQMCSGOHT-CJNGLKHVSA-N	306.410	2.008	70	20	DEID	
CCC(=O)N1CC[C@@H](C(=O)NCCOc2ccccc2Cl)C1	159381109	ABNJHQKMQDIFRQ-GFCCVEGCSA-N	324.808	2.094	70	20	DEID	
CC[C@H](C)OCC(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	857674630	NQCMSQAIKQGZLR-QMMMGPOBSA-N	307.318	2.238	70	20	DEID	
C[C@@H]1Cc2ccccc2N1C(=O)c1cc(S(=O)(=O)F)c[nH]1	1120785086	LZODKLNQVVHWBX-SECBINFHSA-N	308.334	2.264	70	20	DEID	
CCC[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1338259362	AXNPVTMQJCNZTP-JTQLQIEISA-N	302.371	2.325	70	20	DEID	
COc1ccc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)cc1F	1262673301	HSKYRXKCIWVENQ-UHFFFAOYSA-N	316.285	2.073	70	20	DEID	
C[C@@H](CO)NC(=O)Nc1cc(CC2CC2)nn1-c1ccccc1	161043167	CMIUPIYWLAGPPR-LBPRGKRZSA-N	314.389	2.327	70	20	DEID	
CCCN(Cc1cccc(OCC)c1)[C@H]1CCS(=O)(=O)C1	161072988	KYCLGDJGSQFJOG-HNNXBMFYSA-N	311.447	2.484	70	20	DEID	
CCCN(Cc1ccc(COC)cc1)[C@@H]1CCS(=O)(=O)C1	161089314	LUFKSNPYBTTYIO-MRXNPFEDSA-N	311.447	2.232	70	20	DEID	
CC(=O)Nc1ccc(Cl)c(C(=O)NCc2ccc(O)nc2)c1	161113674	SADARFSPHJLNQZ-UHFFFAOYSA-N	319.748	2.329	70	20	DEID	
CC(C)NC(=O)CN(C)CCCc1cc(-c2ccccc2)n[nH]1	161238365	VIPFSXMITYYPFH-UHFFFAOYSA-N	314.433	2.466	70	20	DEID	
CNC(=O)c1ccc(NC(=O)N[C@H]2CCOC(C)(C)C2)cc1	161290508	AVZFTEDCUJSPJI-ZDUSSCGKSA-N	305.378	2.125	70	20	DEID	
COCc1ccc([C@@H]2CCCN2C(=O)c2cc[nH]c(=O)c2)o1	161313144	DIALVEBUAJYUAZ-ZDUSSCGKSA-N	302.330	2.092	70	20	DEID	
CC(C)CCn1ccc(NC(=O)N2[C@H]3CC[C@H]2CC(O)C3)n1	160053063	SSOZACIJVNPFSA-STQMWFEESA-N	306.410	2.449	70	20	DEID	
CC(C)(C)c1nsc(N2CCCC[C@H]2[C@H]2CNC(=O)C2)n1	160161359	SAUISQBUKWSIIN-MNOVXSKESA-N	308.451	2.331	70	20	DEID	
CCC[C@@H](N[C@H](C)COC)C(=O)N1CCc2sccc2C1	160206975	LISACHJIEPRHLC-TZMCWYRMSA-N	310.463	2.426	70	20	DEID	
CC(C)[C@@H]1C(=O)NCCN1Cc1ncc(-c2ccccc2F)o1	160449692	ROUKVFCKYKTYIE-MRXNPFEDSA-N	317.364	2.437	70	20	DEID	
Cn1cnnc1Sc1ccccc1NC(=O)[C@H]1CCCCO1	160453567	ZEIXLWGNJVKQJB-GFCCVEGCSA-N	318.402	2.474	70	20	DEID	
CCC(CC)(CCO)CNC(=O)N[C@H]1CCO[C@@H](C2CC2)C1	160499736	BLXKCTSYBBVDFA-LSDHHAIUSA-N	312.454	2.432	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)c1cccc(NC(=O)CC)c1	160752766	IUCRMJJODBGRLQ-LLVKDONJSA-N	306.362	2.107	70	20	DEID	
CC1(NS(=O)(=O)c2cccc3c2N=S=N3)CCOCC1	160985285	JAPPKABCYUWXQC-UHFFFAOYSA-N	313.404	2.260	70	20	DEID	
Cc1ccc(SCCC(=O)N(CC(N)=O)CC(C)C)cc1	159812773	FJMSZQJYDJBDDS-UHFFFAOYSA-N	308.447	2.447	70	20	DEID	
C[C@H]1CCCN(CCNC(=O)CCCc2nc(C3CC3)no2)C1	159903254	KHHXLCWNKDXAPT-ZDUSSCGKSA-N	320.437	2.118	70	20	DEID	
CC(=O)N1CC[C@@H](NC(=O)[C@H](C)CSc2ccc(F)cc2)C1	159758668	UQHVFJKVEMIVNS-BXUZGUMPSA-N	324.421	2.291	70	20	DEID	
Cc1cc(NC(=O)Cc2ccccc2OC(F)F)c[nH]c1=O	159374080	UBZQYOOOPYSVGM-UHFFFAOYSA-N	308.284	2.466	70	20	DEID	
O=C(Cc1csc(-c2cnccn2)n1)NCC1(C2CC2)CC1	159795793	QVZQFJBALAXGPO-UHFFFAOYSA-N	314.414	2.449	70	20	DEID	
CC(C)(C)OCCCNC(=O)c1ccc(S(=O)(=O)F)cc1	892875563	YCVBBXFGLYIXGF-UHFFFAOYSA-N	317.382	2.280	70	20	DEID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N(C)[C@H]1CCSC1	1338030158	VHOCOGVTWGKZOQ-JTQLQIEISA-N	317.407	2.231	70	20	DEID	
O=C(c1cccc(S(=O)(=O)F)c1)N1CCCC(F)(F)C1	1338068693	OMCOBPAMGJKARU-UHFFFAOYSA-N	307.293	2.216	70	20	DEID	
C[C@@H]1NCCN(C(=O)Cc2ccccc2Br)[C@H]1C	217268420	VVJRVDBMKYFFQG-QWRGUYRKSA-N	311.223	2.200	70	20	DEID	
COC[C@@H](O)CCNC(=O)c1ccc(SC(F)F)cc1	161085222	NHFSWOAQUMNDFH-JTQLQIEISA-N	305.346	2.129	70	20	DEID	
CCc1cc(N2CCC[C@H](NC(=O)NC3(C)CCC3)C2)ncn1	161207383	BYQASZMKEFGGGP-AWEZNQCLSA-N	317.437	2.250	70	20	DEID	
O=C(N[C@H]1CCOC2(CCCC2)C1)[C@@H]1CCCc2[nH]ncc21	160026969	YCKLPAPBXKHFKF-QWHCGFSZSA-N	303.406	2.438	70	20	DEID	
Cc1ccccc1[C@H](O)CNC(=O)NCCCC(=O)OC(C)C	160038824	RRHKFIPSEIYIRC-OAHLLOKOSA-N	322.405	2.059	70	20	DEID	
C[C@@H](CC(=O)NC[C@@H](O)CN1CCCCC1)c1ccccc1	160080580	HLVIQEQGPGJSLF-DOTOQJQBSA-N	304.434	2.143	70	20	DEID	
Cc1cccc([C@H]2CCCN2CC(=O)Nc2cc(C)nn2C)n1	160093045	YSDVVKCMTJJULS-OAHLLOKOSA-N	313.405	2.208	70	20	DEID	
CC(C)OC(=O)CCCNC(=O)N1C[C@H](C)S[C@H](C)C1	160109175	AFRZBHIGJYVNFQ-TXEJJXNPSA-N	302.440	2.254	70	20	DEID	
NC[C@H]1CCCN1C(=O)c1cnn(-c2ccc(Cl)cc2)c1	160319938	BVTCUSKYFXPZEL-CQSZACIVSA-N	304.781	2.089	70	20	DEID	
Cc1ccsc1[C@H](C)NC1CCN(CC(=O)N(C)C)CC1	160391182	LIJFBWOLYRFKKD-ZDUSSCGKSA-N	309.479	2.260	70	20	DEID	
C[C@]1(NC(=O)Nc2cccc(C(=O)N3CCCC3)c2)CCOC1	160443222	MHCOVJYHTJDNQZ-KRWDZBQOSA-N	317.389	2.223	70	20	DEID	
CCCOc1ccc(CN2CCNC(=O)C2)c(OCCC)c1	160483106	CKLNWPMCUMWCQS-UHFFFAOYSA-N	306.406	2.196	70	20	DEID	
CC(=O)N(C)c1ccc(NC(=O)N2CCC[C@@](C)(O)C2)cc1	160490288	XJHSOHARPDRQLM-MRXNPFEDSA-N	305.378	2.048	70	20	DEID	
O=C(NC[C@@H](O)CN1CCCCC1)c1ccc(Cl)cc1F	160620334	CGWDLTFXOZGBPM-GFCCVEGCSA-N	314.788	2.056	70	20	DEID	
CCOC(=O)NCCCC(=O)N[C@@H]1CCC[C@@H]1SCC	160652757	VTYDJKONKNCFQF-NEPJUHHUSA-N	302.440	2.303	70	20	DEID	
CN(CC(=O)NC[C@@H]1CCc2ccccc2C1)[C@@H]1CCSC1	160832502	QWNOMLKVGPZMDY-RHSMWYFYSA-N	318.486	2.345	70	20	DEID	
COc1cc([C@H](C)NCC(=O)NC(C)C)ccc1OC(F)F	160929005	XCSSSHVKUUCSCJ-JTQLQIEISA-N	316.348	2.472	70	20	DEID	
CCN1CCCN(C(=O)NCc2ccc(COC)cc2)CC1	159616947	ZCIBKQOZOAROEB-UHFFFAOYSA-N	305.422	2.070	70	20	DEID	
CCNc1nc(C(=O)NC[C@H]2CCN(CC(C)C)C2)cs1	159566053	VMMGRQCSTXFVJL-GFCCVEGCSA-N	310.467	2.283	70	20	DEID	
Cc1ncc(CNC(=O)c2ccc3c(c2)CCC(=O)N3C)s1	159599541	QQKPOTIBANGFBM-UHFFFAOYSA-N	315.398	2.291	70	20	DEID	
COc1ccc(CCCC(=O)N(CCO)C2CC2)c(OC)c1	159693544	SUTQGDABRMVESN-UHFFFAOYSA-N	307.390	2.010	70	20	DEID	
Cc1cccc(-c2cncc(C(=O)NCC(=O)NC3CC3)c2)c1	159701980	KBLDXKLDIPPSSN-UHFFFAOYSA-N	309.369	2.065	70	20	DEID	
COc1ccc(N(C)C(=O)[C@H](NC(C)=O)C2CCCC2)cc1F	159745257	OMGWILWKCWWOOG-MRXNPFEDSA-N	322.380	2.492	70	20	DEID	
Cc1ccc(C(=O)CCN2CCC[C@H]2CN2CCOCC2)cc1	159833142	KVTJNGBKVGGOOV-SFHVURJKSA-N	316.445	2.364	70	20	DEID	
CC(C)CNC(=O)[C@H](C)Nc1ccccc1O[C@@H]1CCOC1	159923670	OMSDOUVKNVCLCM-UONOGXRCSA-N	306.406	2.427	70	20	DEID	
COc1ccc(F)cc1[C@@H](C)NC(=O)[C@@H]1CCn2ccnc2C1	160094472	KAGLGPJUJCUJHC-VXGBXAGGSA-N	317.364	2.471	70	20	DEID	
Cc1cccc([C@@H](NC(=O)CC(=O)N(C)C)c2ccccn2)c1	160114975	OYNUEVDIDPVPPR-GOSISDBHSA-N	311.385	2.074	70	20	DEID	
CC[C@H](C)N(C)CCN[C@@H](C)c1ccc(-n2cnnn2)cc1	160140549	FZGZVQNREJDKKN-KBPBESRZSA-N	302.426	2.043	70	20	DEID	
COCCNC(=O)N[C@H](C)Cc1ccccc1Br	160163833	UNMSQPLIVQQZCE-SNVBAGLBSA-N	315.211	2.326	70	20	DEID	
CCCOc1cccc(NC(=O)NCC2(CO)CCOCC2)c1	160185005	TYZOGLJPYUTTAH-UHFFFAOYSA-N	322.405	2.386	70	20	DEID	
Cn1cnc2cc(C(=O)NCCCOC3CCCC3)cnc21	160275020	JJCVGSARKIKOQV-UHFFFAOYSA-N	302.378	2.047	70	20	DEID	
Cc1ccc2c(c1)[C@@H](NC(=O)c1ncn(-c3ccccc3)n1)CO2	160332232	BKEWAIMYNDFRHN-HNNXBMFYSA-N	320.352	2.439	70	20	DEID	
Cc1ccc(NC(=O)NC2C[C@H](C)O[C@@H](C)C2)cc1C(N)=O	160397229	DJWGOPKAQDYCMM-QWRGUYRKSA-N	305.378	2.171	70	20	DEID	
O=C(Nc1ccccc1N1CCCC1=O)N[C@H]1CC[C@H](O)CC1	160435720	VNUURKBWTRRTOF-BETUJISGSA-N	317.389	2.238	70	20	DEID	
CCc1ncsc1C(=O)OCCNC(=O)OC(C)(C)C	160691900	ZASSHCFNIHEZEU-UHFFFAOYSA-N	300.380	2.387	70	20	DEID	
Cn1cnnc1CSc1nncn1-c1cccc(Cl)c1	160987708	PTUJRFUHFIBNMY-UHFFFAOYSA-N	306.782	2.342	70	20	DEID	
COC[C@H](O)CCNC(=O)c1ccc(SC(F)F)cc1	161085110	NHFSWOAQUMNDFH-SNVBAGLBSA-N	305.346	2.129	70	20	DEID	
COC1(C(=O)NC[C@@H](C)Sc2ccccc2)CCNCC1	161119511	GQFIOSGAXKNNAG-CYBMUJFWSA-N	308.447	2.052	70	20	DEID	
C[C@]1(O)CCCN(C(=O)NCCCOc2ccc(F)cc2)C1	161278961	JHUJOOWMMVCVKL-INIZCTEOSA-N	310.369	2.151	70	20	DEID	
Cc1nc2n(n1)C[C@@H](NC(=O)c1ccc(Cl)cc1C)CC2	161346615	GGGDKILPXHOQDG-LBPRGKRZSA-N	304.781	2.293	70	20	DEID	
C[C@H](CSCc1ccccc1)C(=O)N1CCC[C@@H]1C(N)=O	161450370	YCNHIXDSNLSOSI-TZMCWYRMSA-N	306.431	2.032	70	20	DEID	
COc1ccc(CNC(=O)[C@@H]2[C@@H](N)[C@H]3CC[C@@H]2C3)cc1Cl	161492246	AOXRDLMYPXZJHI-PKIAMQTDSA-N	308.809	2.338	70	20	DEID	
COC1(CCOC(=O)c2cccc(S(=O)(=O)F)c2)CCC1	1119615636	ZWKTZGCYSHXREF-UHFFFAOYSA-N	316.350	2.461	70	20	DEID	
O=S(=O)(F)c1ccc(NCc2cnn(CC3CCC3)c2)nc1	1551200659	FMAHDNABBWKGBD-UHFFFAOYSA-N	324.381	2.349	70	20	DEID	
CC/C(C)=C/C(=O)N1CCC(CNC(=O)C(F)(F)F)CC1	216743443	QZGYMDLMOVTHJU-CSKARUKUSA-N	306.328	2.260	70	20	DEID	
O=C(CC1CCCC1)N1CCCN(C(=O)C(F)(F)F)CC1	216718157	ZJCGDVCYTYZZKN-UHFFFAOYSA-N	306.328	2.190	70	20	DEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@H]1c1ccccc1	1345450924	HHAKMQOWHVRNMG-ZDUSSCGKSA-N	308.334	2.260	70	20	DEID	
CCCn1c(NC(=O)C[C@H]2COC(=O)C2)nc2ccccc21	161044265	FOYRAGCGXIEEEO-LLVKDONJSA-N	301.346	2.338	70	20	DEID	
Cc1nc(N2CCN(C(=O)N[C@@H](C)C3CC3)CC2)sc1C	161265352	SUWWTTACLRAQPY-NSHDSACASA-N	308.451	2.390	70	20	DEID	
CC(C)NC(=O)c1ccc(NC(=O)N[C@@]2(C)CCOC2)cc1	161409437	MJVRQYPNVNBINS-INIZCTEOSA-N	305.378	2.125	70	20	DEID	
CCC[C@@H](NC(=O)/C=C/c1cnn(C)c1C)C(=O)OC(C)(C)C	161425317	KKFUEZVQZJEZRL-ATWMFIQVSA-N	321.421	2.368	70	20	DEID	
Cc1ccc(-c2n[nH]c(NC(=O)CNC(=O)C(C)(C)C)c2C)o1	161496300	MZHDTQNAJVHIIB-UHFFFAOYSA-N	318.377	2.387	70	20	DEID	
N[C@@H]1CCC[C@@H](NC(=O)c2ccn(-c3ccccc3F)n2)C1	161505294	ODIGQQVCECGFLV-VXGBXAGGSA-N	302.353	2.011	70	20	DEID	
Cc1cc(C)n(Cc2cccc(C(=O)N3CCC[C@@H]3CN)c2)n1	160210256	FKRKIEICBJCZBV-QGZVFWFLSA-N	312.417	2.112	70	20	DEID	
COC(=O)c1ccc(C(=O)NCCc2cccc(O)c2)s1	160213164	ZHHZBJJMZCJZKA-UHFFFAOYSA-N	305.355	2.213	70	20	DEID	
Cn1ccnc1[C@@H](NC(=O)[C@H]1CCCCO1)c1cccc(F)c1	160319417	OAPQKVUZSMCRMS-CABCVRRESA-N	317.364	2.334	70	20	DEID	
CSC[C@H](CCO)N[C@@H](C)c1ccc(-n2cncn2)cc1	160408614	NGRNAZIDIXHDJV-JSGCOSHPSA-N	306.435	2.032	70	20	DEID	
Fc1ccc2oc(N3CCC[C@H]3CN3CCOCC3)nc2c1	160420859	IWQLUVGQJVREKA-ZDUSSCGKSA-N	305.353	2.268	70	20	DEID	
O=C(CNC1CCN(C2CCCCC2)CC1)NCC(F)(F)F	160521914	AYZDVHHSYZASCV-UHFFFAOYSA-N	321.387	2.052	70	20	DEID	
CN(Cc1cccn1C)C(=O)c1csc(-c2cnn(C)c2)n1	160626944	GGJHNJAMBRHYEX-UHFFFAOYSA-N	315.402	2.154	70	20	DEID	
C[C@@H](O)[C@@H]1CCCN(CC2CCN(C(=O)C(C)(C)C)CC2)C1	160934962	BNNNFNSHQSEKAQ-GDBMZVCRSA-N	310.482	2.364	70	20	DEID	
COc1ccccc1-c1nnc(SCc2nnc(C)n2C)o1	160982130	YCKCDFBZMBJQRH-UHFFFAOYSA-N	317.374	2.474	70	20	DEID	
CC[C@@H](NS(=O)(=O)C[C@H]1CCOC1)c1ccc(F)cc1F	159612001	VPFNDYSIZBSFCM-IINYFYTJSA-N	319.373	2.372	70	20	DEID	
CC(C)OC1CCC(NS(=O)(=O)N2CCCCC2)CC1	159427781	XTGQUSLWVZPPHH-UHFFFAOYSA-N	304.456	2.043	70	20	DEID	
C[C@H](CCc1cccn1C)NC(=O)N(C)CC1CCOCC1	159466220	SPEAVALKVKXFIC-CQSZACIVSA-N	307.438	2.414	70	20	DEID	
COc1cccc([C@@H](C)CC(=O)N[C@@H](CO)CCSC)c1	159900067	RPCPCKIVCJEOLG-GXTWGEPZSA-N	311.447	2.419	70	20	DEID	
CC(C)[C@H]1CN(C)CCN1C(=O)N[C@@H](C)c1cccc(O)c1	159786761	BEXFAGFSYMOHLP-XJKSGUPXSA-N	305.422	2.435	70	20	DEID	
CCCC[C@@H](C(=O)OC)N1CCC([C@H](O)C(F)(F)F)CC1	161275464	SJSUCCZEVQMHQW-RYUDHWBXSA-N	311.344	2.353	70	20	DEID	
CCc1n[nH]c(-c2ccccc2NC(=O)CN(CC)C2CC2)n1	161344689	XHIZTJYJZLOQAP-UHFFFAOYSA-N	313.405	2.457	70	20	DEID	
O=C1C[C@@H](Cc2ccc(F)cc2)C(=O)N1Cc1nccs1	161401087	ONSMOLJTFPHPAQ-LLVKDONJSA-N	304.346	2.400	70	20	DEID	
COC[C@@H](NC(=O)Nc1ccc(C(=O)OC)cc1F)C1CC1	160082291	CXXBSCTXWUIAOC-CYBMUJFWSA-N	310.325	2.159	70	20	DEID	
C[C@H]1CN(C)CC[C@@H]1NC[C@@H](C)N1CCc2ccccc2C1	159807953	JSRJNHYNNBIDJU-FCEWJHQRSA-N	301.478	2.363	70	20	DEID	
CCn1cc(C(=O)NC[C@H](C[C@@H](C)O)c2ccccc2)cn1	159730665	OKWZOEVRYFQADK-HIFRSBDPSA-N	301.390	2.188	70	20	DEID	
CS[C@@H](CO)[C@H](C)NC(=O)c1cc(Cl)c(N)c(Cl)c1	159648486	GMJZWMFMLVTYDE-WKEGUHRASA-N	323.245	2.418	70	20	DEID	
CCO[C@@H](C(=O)Nc1ccc(S(=O)(=O)F)c(F)c1)C1CC1	875830973	BOVCGRDBOOAOAT-GFCCVEGCSA-N	319.329	2.238	70	20	DEID	
O=C(NCC[C@@H]1CCC(F)(F)C1)c1cc(S(=O)(=O)F)c[nH]1	1121169621	WQEURTGLQASLNC-QMMMGPOBSA-N	324.324	2.228	70	20	DEID	
CC1(C)CC[C@H](OC(=O)c2cccc(S(=O)(=O)F)c2)C1=O	1332352469	QTKHWMIJTTVPRC-NSHDSACASA-N	314.334	2.259	70	20	DEID	
COc1cc(C(=O)Nc2ccnn2C(C)C)cc(OC)c1O	161083992	OPLAJAIHOIUQPO-UHFFFAOYSA-N	305.334	2.439	70	20	DEID	
COCCCOc1cccc(CNC(=O)N2CCOC[C@@H]2C)c1	161225827	LPEFXYHYTPALPJ-AWEZNQCLSA-N	322.405	2.032	70	20	DEID	
C[C@]1(O)CCCN(C(=O)Nc2ccc3c(c2)CCCC(=O)N3)C1	161292623	JUTGJMFPLVXDSY-KRWDZBQOSA-N	317.389	2.340	70	20	DEID	
CCCN(CC(=O)NC)C(=O)CCc1c[nH]c2c(C)cccc12	161389747	DSXSRDFRPKOHHT-UHFFFAOYSA-N	315.417	2.394	70	20	DEID	
CCCN(Cc1ccccc1)C(=O)C(=O)Nc1nocc1C	160331245	CQTUAQKJUDQYSB-UHFFFAOYSA-N	301.346	2.360	70	20	DEID	
COc1ccccc1OCC(=O)NC[C@H]1CCCN1CC(C)C	160488543	CRWIWKAOGINPKH-OAHLLOKOSA-N	320.433	2.311	70	20	DEID	
CN(C(=O)Cc1cn2ccsc2n1)c1ccc2c(c1)OCO2	160527174	IUGYVBTVLMUWAH-UHFFFAOYSA-N	315.354	2.330	70	20	DEID	
CC(C)Oc1cccc([C@@H](O)CNC(=O)C2(N)CCCCC2)c1	160964780	KIXWJNJGPKBZQE-INIZCTEOSA-N	320.433	2.285	70	20	DEID	
Cc1cc(CN2CCN(Cc3nc4ccccc4[nH]3)CC2)on1	159411194	OKISQKHJDLAKMM-UHFFFAOYSA-N	311.389	2.177	70	20	DEID	
CC[C@H]1CCC[C@H]1NC(=O)Cn1nnc(-c2ccc(C)cc2)n1	159638636	WDWIFGZCRDYXRO-DZGCQCFKSA-N	313.405	2.343	70	20	DEID	
CCCNC(=O)CCCC(=O)N[C@H]1CCOC2(CCCC2)C1	159875436	SLTNCFMVCMFUMJ-AWEZNQCLSA-N	310.438	2.291	70	20	DEID	
CC(=O)N1CC[C@@H](NC(=O)c2nc(-c3ccco3)sc2C)C1	159497975	FKRDSJWYOVYFMZ-LLVKDONJSA-N	319.386	2.062	70	20	DEID	
Cc1ccccc1OCCCC(=O)N(CC(N)=O)CC(C)C	159744902	YIRSYYMBJHPYJN-UHFFFAOYSA-N	306.406	2.124	70	20	DEID	
CCCOc1ccc(NC(=O)NCC[C@H](O)COC)c(C)c1	159775678	ZKCZUDBOPAWAFO-ZDUSSCGKSA-N	310.394	2.303	70	20	DEID	
CC(=O)N1CC[C@@H](NC(=O)[C@H](C)Sc2ccc(C)cc2)C1	159778986	BSCBBBYTFUICAI-GXTWGEPZSA-N	306.431	2.213	70	20	DEID	
CC(C)(C)NC(=O)N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1	160300404	QCHWYZWPQXPBHA-CVEARBPZSA-N	317.433	2.080	70	20	DEID	
O=C1C[C@H](C(=O)Oc2ccc3c(c2)OCO3)[C@H]2CCCC[C@H]2N1	217049383	LYDMMKHWDNEEOV-FRRDWIJNSA-N	317.341	2.016	70	20	DEID	
CCOC[C@@H](NC(=O)c1ccc(S(=O)(=O)F)cc1)C(C)C	864241345	SIGKZSQVOIPMQZ-CYBMUJFWSA-N	317.382	2.136	70	20	DEID	
CNC[C@H]1CCCN1C(=O)[C@H]1COc2ccc(Cl)cc2C1	161161025	LZVRTJJMBNNUBG-TZMCWYRMSA-N	308.809	2.102	70	20	DEID	
CCNC(=O)c1ccc(CNC2CCC3(CC2)OCCO3)cc1	161287645	KKPUGBIHLKFLTQ-UHFFFAOYSA-N	318.417	2.212	70	20	DEID	
CC[C@@H](NCc1ccccc1N1CCOCC1)c1cnn(C)c1	161453039	ILIOFDRLHMLXCN-QGZVFWFLSA-N	314.433	2.498	70	20	DEID	
Cc1cccc([C@H](NC(=O)[C@H]2CCNC(=O)C2)c2ccccn2)c1	160116161	HNKAWTCPIYTHII-YJBOKZPZSA-N	323.396	2.122	70	20	DEID	
Cc1conc1NC(=O)C(=O)N1CCC[C@@H]1c1ccc(F)cc1	160360383	ACUNMWJRIDIRQN-CYBMUJFWSA-N	317.320	2.424	70	20	DEID	
CC(C)Cn1cc(NC(=O)C(=O)Nc2ccc(Cl)nc2)cn1	160465484	JIRGZCMKHRURQT-UHFFFAOYSA-N	321.768	2.165	70	20	DEID	
CC(C)[C@H](CCO)NC(=O)[C@@H]1CCCN1Cc1ccccc1	160701968	DJCLZAQWBCAIQU-IRXDYDNUSA-N	304.434	2.174	70	20	DEID	
COC[C@H](O)CCNC(=O)Nc1cccc(-c2nccs2)c1	159852572	SIQUSQVITBBNIJ-CYBMUJFWSA-N	321.402	2.329	70	20	DEID	
CC(C)[C@H](Cc1ccccc1)C(=O)N[C@@H](C)CN1CCOCC1	159910473	ATEPQMOANITKFZ-WMZOPIPTSA-N	318.461	2.338	70	20	DEID	
CO[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1cccc(C)c1Cl	159933011	YUEIMDKAQYYCLU-ZYHUDNBSSA-N	310.781	2.271	70	20	DEID	
CCOC1CC(C(=O)Nc2ccc(S(=O)(=O)F)cc2)C1	290271137	LMLOYNQPJDTZBA-UHFFFAOYSA-N	301.339	2.098	70	20	DEID	
C[C@H](Oc1ccccn1)C(=O)Nc1ccc(S(=O)(=O)F)cc1	864238215	HCVCUIHFJPJRNF-JTQLQIEISA-N	324.333	2.146	70	20	DEID	
N#Cc1ccc(NC(=O)c2ccc(S(=O)(=O)F)cc2)cc1	865206278	XOSMSIBMJWBNAJ-UHFFFAOYSA-N	304.302	2.469	70	20	DEID	
Cc1cc(F)ccc1NC(=O)C(=O)N[C@H](C)C1CCOCC1	161044984	LZBNDGUOOGDVBB-LLVKDONJSA-N	308.353	2.004	70	20	DEID	
C[C@@H](C(=O)Nc1ccc(N2CCNC2=O)cc1)C1CCOCC1	161231237	CRBNNDDUZQCZMM-GFCCVEGCSA-N	317.389	2.217	70	20	DEID	
CCC(CC)(CN)C(=O)NC[C@@H](C[C@H](C)O)c1ccccc1	161259987	QRYJXPNEIIMONM-GOEBONIOSA-N	306.450	2.422	70	20	DEID	
CC(C)(C)C[C@H](CO)Nc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1	161422167	PMESASYMFVAICL-SNVBAGLBSA-N	321.425	2.084	70	20	DEID	
CCN(CC)CCNC(=O)N(C)Cc1cc(Cl)cn1C	161486908	IONOKOFVFAVMPV-UHFFFAOYSA-N	300.834	2.162	70	20	DEID	
C[C@]1(O)CCCN(C(=O)NC[C@@H]2CCN(c3ccccc3)C2)C1	160443046	OWHHTZPBFFYDRX-YJBOKZPZSA-N	317.433	2.069	70	20	DEID	
O=C(C[C@H]1CSCCS1)Nc1nnc(-c2ccccn2)[nH]1	160544346	BRKMLJYFPZIVOI-VIFPVBQESA-N	321.431	2.044	70	20	DEID	
CC(C)NCCC(=O)N[C@@H](C)c1cccc(-n2cccn2)c1	160569684	AXJZLWDWGCNQKI-AWEZNQCLSA-N	300.406	2.438	70	20	DEID	
Cc1nc(C)c(C)c(N(C)Cc2nc3ccsc3c(=O)[nH]2)n1	160603071	FEWLXJXJHGUUIE-UHFFFAOYSA-N	315.402	2.336	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)c1nc(C(C)C)ncc1Cl	160624242	PQZLBYWWMIKLBU-VIFPVBQESA-N	313.785	2.325	70	20	DEID	
CCN(CCO)C(=O)N[C@H](c1ccco1)c1ccccc1OC	160642022	JLKZQOQHTONRDW-INIZCTEOSA-N	318.373	2.401	70	20	DEID	
COC(=O)c1ccccc1NC(=O)c1cccc(-n2ccnn2)c1	160645400	LAHMZCNPIDMPLL-UHFFFAOYSA-N	322.324	2.306	70	20	DEID	
CNC(=O)CCNC(=O)N[C@H](C)Cc1ccc(C(C)C)cc1	160663825	ICKQNLGFKCSLMF-CYBMUJFWSA-N	305.422	2.176	70	20	DEID	
N[C@H]1CCC[C@@H](NC(=O)c2cccnc2OCC(F)(F)F)C1	160779485	LCDUWPRXACQLCB-VHSXEESVSA-N	317.311	2.022	70	20	DEID	
COc1ccc(CCCC(=O)NC[C@@H](O)C(C)C)c(OC)c1	159408467	LEDOYERIIVWPLS-OAHLLOKOSA-N	309.406	2.160	70	20	DEID	
CCCCN(C)S(=O)(=O)N[C@@H]1CCCc2cc(N)ccc21	159448085	ZRDMSMMXJZQBRD-OAHLLOKOSA-N	311.451	2.213	70	20	DEID	
CN(CC(C)(C)CN1CCOCC1)C(=O)c1ccccc1F	159644551	NVVMMDKARBUGNM-UHFFFAOYSA-N	308.397	2.256	70	20	DEID	
CN(C)c1ccc(C(=O)N2CC[C@H]3CC[C@H](C2)N3C)c(F)c1	159455572	RYLDBHWVCRCVFI-TZMCWYRMSA-N	305.397	2.200	70	20	DEID	
CN1CCC[C@H](CNC(=O)Cc2csc(-c3ccoc3)n2)C1	159511878	XNCDWKMNLDYUSH-GFCCVEGCSA-N	319.430	2.404	70	20	DEID	
O=C(NCC[C@H]1CCCCO1)Nc1ccnn1C[C@@H]1CCOC1	159712770	PJBGOVIUDGODPV-UONOGXRCSA-N	322.409	2.000	70	20	DEID	
COc1ccc(C[C@H](C)CN(C)C(=O)[C@@]2(O)CCSC2)cc1	159520185	VLFANGFPQXCQRR-SUMWQHHRSA-N	323.458	2.200	70	20	DEID	
Cn1cc(Br)cc1C(=O)NCCCC(C)(C)CO	160391834	QUFWGHKQHDACIU-UHFFFAOYSA-N	317.227	2.316	70	20	DEID	
Cc1ccc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)c(F)c1	1337726313	MRVNYRXDHXDTIP-UHFFFAOYSA-N	300.286	2.373	70	20	DEID	
CC[C@@H](C)CCNC(=O)Cc1ccc(S(=O)(=O)F)cc1	1338214272	JOMSGBBHOBNELF-LLVKDONJSA-N	301.383	2.440	70	20	DEID	
O=C(N[C@@H]1CCc2ncnn2C1)N1CCC[C@H]1C1CCCCC1	161031214	DJEBPZZBLRXEBG-CABCVRRESA-N	317.437	2.347	70	20	DEID	
CCCCC1CCC(C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)CC1	161260436	GYBFOUPTWAABMQ-CVSAEHQPSA-N	310.438	2.132	70	20	DEID	
Cc1nn(C)c(C)c1CCC(=O)NCCc1cccc(O)c1	160175608	MNCIFYDCQXCGAF-UHFFFAOYSA-N	301.390	2.034	70	20	DEID	
Cn1cnnc1S[C@H]1CCCN(c2ccccc2F)C1=O	160411367	HLYSKTOYFNDGOD-LBPRGKRZSA-N	306.366	2.242	70	20	DEID	
Cc1nc(Cl)ccc1C(=O)NCCCNC(=O)C1CCC1	160899507	FHQDNJJAIRPUNS-UHFFFAOYSA-N	309.797	2.080	70	20	DEID	
Cc1ccc([C@@H](O)CNS(=O)(=O)c2ccc(F)c(C)c2)cc1	159439060	MEOGXZBZXRGRBS-INIZCTEOSA-N	323.389	2.454	70	20	DEID	
C[C@@H](N[C@H]1CCN(C2CCOCC2)C1=O)c1cccc(F)c1F	159487128	PCDNAYSUMWYVQZ-ABAIWWIYSA-N	324.371	2.395	70	20	DEID	
CS(=O)(=O)CCN(C(=O)Nc1ccc(F)c(F)c1)C1CC1	159914700	VHPASWKHGGQEOQ-UHFFFAOYSA-N	318.345	2.006	70	20	DEID	
Cc1ccc(NC(=O)N(C)c2c(C)noc2C)cc1C(N)=O	159723365	VVKONSPTVFPOJP-UHFFFAOYSA-N	302.334	2.367	70	20	DEID	
COc1c(F)cc(NC(=O)N2CCC[C@](C)(O)C2)cc1F	159737877	XMVLLPSFMISQIZ-AWEZNQCLSA-N	300.305	2.352	70	20	DEID	
O=S(=O)(NC[C@H](O)C1CCCCC1)c1cccc(F)c1F	159543573	RDURPXAFGUNUQE-LBPRGKRZSA-N	319.373	2.184	70	20	DEID	
CC(C)OC1CCC(NC(=O)c2cc(C(N)=O)cs2)CC1	159554221	JAYHVEHYRGRTIM-UHFFFAOYSA-N	310.419	2.313	70	20	DEID	
CC[C@H]1CN(C(=O)c2cc3c([nH]c2=O)CCCCC3)C[C@@H](C)O1	159777179	DHZJIAAAPGRDRG-OCCSQVGLSA-N	318.417	2.283	70	20	DEID	
CC(C)Cn1ncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)c1C1CC1	159981252	DIIDUTRJOALBTE-YUELXQCFSA-N	303.406	2.466	70	20	DEID	
COCC1(C(=O)Nc2ccc(C)c(S(=O)(=O)F)c2)CC1	857675516	PZCNDFNZAYAGIB-UHFFFAOYSA-N	301.339	2.018	70	20	DEID	
C[C@@H]1C[C@H](C(=O)Nc2ccc(S(=O)(=O)F)c(F)c2)CCO1	857674585	MBNTUAOJSLRLFL-RKDXNWHRSA-N	319.329	2.238	70	20	DEID	
CCCN(CC(F)F)C(=O)c1ccc(S(=O)(=O)F)cc1	865207895	YLTUIJZANYQVNZ-UHFFFAOYSA-N	309.309	2.462	70	20	DEID	
CC(C)C[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1262732947	ZRIYPMHRNTVBDK-JTQLQIEISA-N	302.371	2.181	70	20	DEID	
Cc1cc(Cl)ncc1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1346332630	HCRHJLSRAPZKHZ-UHFFFAOYSA-N	317.729	2.282	70	20	DEID	
CCS(=O)(=O)c1cccc(CC(=O)N[C@@H]2C=CCCC2)c1	161039298	JVWYBFNOVPZVRX-CQSZACIVSA-N	307.415	2.248	70	20	DEID	
CCc1ccc(/C=C/C(=O)N2CCC(Cn3ccnn3)CC2)o1	161359562	FSDYASBOHPAJEF-AATRIKPKSA-N	314.389	2.386	70	20	DEID	
CCOc1cccc(NC(=O)NCCCNC(=O)C(C)C)c1	161419019	ALMNIHQSEDCMRH-UHFFFAOYSA-N	307.394	2.369	70	20	DEID	
COC[C@@H](O)CCNC(=O)c1cccc(OC2CCCC2)c1	161472300	SSKGZLGMXJKTNX-AWEZNQCLSA-N	307.390	2.135	70	20	DEID	
CO[C@@H]1CCC[C@H]1NC(=O)NCc1ccc(N2CCCC2)nc1	160066175	MNIPIRZQZCMQRN-HUUCEWRRSA-N	318.421	2.049	70	20	DEID	
COc1ccc([C@H](C)N(C)C(=O)C(=O)Nc2nocc2C)cc1	160368040	INVOXWHLUGFHAC-NSHDSACASA-N	317.345	2.150	70	20	DEID	
O=C(NC[C@H]1CCC[C@H](O)C1)Nc1ccn(CC(F)(F)F)n1	160688485	OTFAWDQYQRAZGB-UWVGGRQHSA-N	320.315	2.118	70	20	DEID	
C[C@H](N[C@@H](CN1CCCC1=O)c1ccccc1)c1cnn(C)c1	160714387	UZGBXBCEWSQDJN-YOEHRIQHSA-N	312.417	2.434	70	20	DEID	
CCOCCO[C@@H](C)C(=O)N[C@@H]1CCOC2(CCCCC2)C1	160719419	AVCBGYPMAYZBBO-LSDHHAIUSA-N	313.438	2.426	70	20	DEID	
CN(CCCOc1ccc2c(c1)OCO2)C[C@@H]1CCC[C@@H]1O	159453709	BKOAQSCDQUEBTG-ZFWWWQNUSA-N	307.390	2.277	70	20	DEID	
CC[C@H](C)c1ccccc1OCC(=O)N[C@@H]1CCN(C(C)=O)C1	159702185	YDPBJBLJXBYWQD-DZGCQCFKSA-N	318.417	2.316	70	20	DEID	
COc1ccccc1SCC(=O)Nc1cn(C)c(=O)cc1C	159960856	ZAJWKRBMGNXUSX-UHFFFAOYSA-N	318.398	2.433	70	20	DEID	
Cn1nccc1CNC(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)F	159584907	DSFDZRJSDDSZFG-QWHCGFSZSA-N	321.327	2.441	70	20	DEID	
CC(C)CNC(=O)[C@@H](C)Sc1nnc(-c2ccccn2)n1C	159587304	ZZNDXEDDSJRAPC-LLVKDONJSA-N	319.434	2.130	70	20	DEID	
Cc1nscc1C(=O)Nc1ccc(S(=O)(=O)F)cc1	123149268	CEBLYWKLHSDCHT-UHFFFAOYSA-N	300.336	2.362	70	20	DEID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N(C)Cc1cccn1C	1338011793	GPLWOTGUTWRUHU-UHFFFAOYSA-N	324.377	2.264	70	20	DEID	
C[C@H]1CC[C@@H](COC(=O)c2cccc(S(=O)(=O)F)c2)O1	1334329362	FCCVGGVDCQRBKG-ONGXEEELSA-N	302.323	2.069	70	20	DEID	
C[C@H]1COC2(CCCC2)CN1c1ccc(S(=O)(=O)F)cn1	1550628920	HOZJVPOJJANXHW-NSHDSACASA-N	314.382	2.278	70	20	DEID	
CC(C)CN1CCCC[C@@H]1CNC(=O)N[C@@H](CCO)C(C)C	161027364	LLTRCKMLGMPAKF-CVEARBPZSA-N	313.486	2.203	70	20	DEID	
COC(=O)C(C)(C)c1ccc(NC(=O)[C@H]2CCCCN2)cc1	161039723	JFUOIRPMPVJXKX-CQSZACIVSA-N	304.390	2.218	70	20	DEID	
Cc1nc(-c2cccc(NC(=O)N3CCC[C@@](C)(O)C3)c2)n[nH]1	161156519	NFXGTQGSLLJPRP-MRXNPFEDSA-N	315.377	2.159	70	20	DEID	
COC[C@@H](O)CCNC(=O)c1cc2c(ccc3ccccc32)[nH]1	161224591	BLOASCVOJYLOST-ZDUSSCGKSA-N	312.369	2.448	70	20	DEID	
O=C(NCc1ccncc1)NCc1cccnc1OCC(F)F	160689729	RXUKZRFMSJECHB-UHFFFAOYSA-N	322.315	2.120	70	20	DEID	
Cn1cnc2cc(C(=O)NCCc3cc(F)ccc3F)cnc21	160690616	DDTGYCSKPGYTIU-UHFFFAOYSA-N	316.311	2.219	70	20	DEID	
CCC[C@H](O)CNC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1	160885192	KDNSBKWXSJWMMO-JYJNAYRXSA-N	306.406	2.367	70	20	DEID	
COc1ccccc1[C@@H](C)N[C@@H](C)C(=O)NCC(F)(F)F	159839037	DKHJWCOFCNNDRR-ZJUUUORDSA-N	304.312	2.413	70	20	DEID	
Cc1c(C(=O)NC[C@H](C)Cn2cccn2)cnn1CC(C)C	159477311	OZFVLHRBAKIYFF-ZDUSSCGKSA-N	303.410	2.110	70	20	DEID	
CCCn1ncc(C(=O)NC[C@@H](C)CC(=O)OCC)c1C1CC1	159494014	VGPBHLLIGWDECL-LBPRGKRZSA-N	321.421	2.490	70	20	DEID	
CNC(=O)CCCN(C)C(=O)Nc1ccc(F)cc1Cl	159905644	WHJCKALZYWIMOU-UHFFFAOYSA-N	301.749	2.469	70	20	DEID	
Cc1ccc(C(=O)C(=O)NC[C@]2(O)CCc3ccccc32)cc1	159364852	SEEIMSDCWJFKME-LJQANCHMSA-N	309.365	2.128	70	20	DEID	
CCn1nccc1CN1CCc2cc(OC)c(OC)cc2C1	159778017	PKUHGDIMSJSCND-UHFFFAOYSA-N	301.390	2.479	70	20	DEID	
N[C@@H]1CCC[C@H](NC(=O)CSc2ccc(F)c(F)c2)C1	160926506	JUSVAQAPDQJZIE-ZJUUUORDSA-N	300.374	2.443	70	20	DEID	
CN(Cc1cc(Br)cs1)Cc1nncn1C	160793078	JMWXMCHBWUHJLJ-UHFFFAOYSA-N	301.213	2.271	70	20	DEID	
CC(C)OCCC(=O)Nc1ccc(F)c(CS(=O)(=O)F)c1	876318186	PFEGHXRMCQJREZ-UHFFFAOYSA-N	321.345	2.379	70	20	DEID	
O=[N+]([O-])c1ccc(N2CC[C@H]3C[C@H]3C2)c(CS(=O)(=O)F)c1	882627082	FFMOZBYMNWGGDA-UWVGGRQHSA-N	314.338	2.240	70	20	DEID	
Cc1ccc(NC(=O)C(=O)N[C@H](C)C2CCOCC2)c(F)c1	161063736	NCQLVDNCFFUQNG-LLVKDONJSA-N	308.353	2.004	70	20	DEID	
Cn1nccc1Cn1cnc2c(Cl)cc(Cl)cc2c1=O	161171026	PHESWVHRASAOLL-UHFFFAOYSA-N	309.156	2.485	70	20	DEID	
COCCC1(CNC(=O)N[C@H](CCO)C2CCCCC2)CC1	161174183	UUVZSBZXPGKTRT-OAHLLOKOSA-N	312.454	2.434	70	20	DEID	
Cn1cnc(-c2ccc(NC(=O)NC3(C)CCOCC3)cc2)n1	161217123	JXWKMURUNWIXJA-UHFFFAOYSA-N	315.377	2.173	70	20	DEID	
Cc1ccc(NC(=O)N2CCN(Cc3cc(C)on3)CC2)cn1	161396699	PPQIRFOXOBPRNO-UHFFFAOYSA-N	315.377	2.036	70	20	DEID	
Cc1n[nH]c(C)c1CCC(=O)N(C)c1ccc2c(c1)OCO2	160121116	QJHFHSXZEJVWQX-UHFFFAOYSA-N	301.346	2.351	70	20	DEID	
CC(=O)N(C)c1ccc(S(=O)(=O)NCC2(C3CC3)CC2)cc1	160159460	ZCQRRAROTXWPKR-UHFFFAOYSA-N	322.430	2.138	70	20	DEID	
CNC(=O)c1ccc(NC(=O)COCC(F)(F)F)c(Cl)c1	160296885	GTEIDXRCIYWKSG-UHFFFAOYSA-N	324.686	2.217	70	20	DEID	
CCCOc1ccc(CNC(=O)C(=O)Nc2nocc2C)cc1	160383127	XJLVZPBXRZFAES-UHFFFAOYSA-N	317.345	2.027	70	20	DEID	
CC[C@@H](C(=O)NCCC(=O)N1CCCCC1)c1c(C)noc1C	160527912	XMDVZUHXTGCIJN-CQSZACIVSA-N	321.421	2.304	70	20	DEID	
C[C@H]1C[C@H](N[C@@H](CN2CCCC2=O)c2ccccc2)CCN1C	160660051	XPGAHWZLCJSHRI-JQHSSLGASA-N	315.461	2.422	70	20	DEID	
C[C@H](CC(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccncc1	160895537	NFERHEZKSNPKSY-TZMCWYRMSA-N	303.406	2.091	70	20	DEID	
C[C@@H](CC(=O)N1CC[C@H](Cc2cnn(C)c2)C1)c1ccncc1	160976806	CJWHSVGZPREQQT-LSDHHAIUSA-N	312.417	2.400	70	20	DEID	
CC[C@@H]1CCC[C@@H]1NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1	159820736	RLRSTVTXIKDODV-GUTXKFCHSA-N	324.446	2.048	70	20	DEID	
CC(C)N1C(=O)C[C@H](NC(=O)c2ccc(C(C)(C)C)s2)C1=O	159634161	KOXHQPPVVCEBJI-JTQLQIEISA-N	322.430	2.311	70	20	DEID	
CS[C@@H](C)CC(=O)Nc1cccc(C(=O)N2CCOCC2)c1	159961325	ZQUPIIPHFNROSQ-LBPRGKRZSA-N	322.430	2.239	70	20	DEID	
COC[C@@H](O)CCNC(=O)CCSc1ccccc1Cl	161262886	PRVDTKPZUDITOD-NSHDSACASA-N	317.838	2.336	70	20	DEID	
C=CCCOCC(=O)Nc1ccc(C)c(S(=O)(=O)F)c1	857675376	LNZVGDAZMLWFQR-UHFFFAOYSA-N	301.339	2.184	70	20	DEID	
CCN(C(=O)c1ccc(S(=O)(=O)F)cc1)c1ccncc1	864239159	AHADTWYKWFNMFG-UHFFFAOYSA-N	308.334	2.407	70	20	DEID	
N#Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)F)cc2)cc1	864239210	CJWXJLWWSBISPR-UHFFFAOYSA-N	318.329	2.146	70	20	DEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC[C@@H]1c1ccccn1	1348384090	DJTCVFFYJCCIDM-CYBMUJFWSA-N	323.349	2.045	70	20	DEID	
O=c1[nH]c2cc(Cl)c(S(=O)(=O)Cl)c(Cl)c2o1	100471298	HNNCHNVUUDXNBC-UHFFFAOYSA-N	302.522	2.355	70	20	DEID	
CCN(CC)C(=O)CCCC(=O)Nc1ccc(OC)c(N)c1	161069725	MFOHALOQAZKZFM-UHFFFAOYSA-N	307.394	2.255	70	20	DEID	
CC[C@@H](O)CN(Cc1ccccc1)C(=O)NC1CCC(O)CC1	161083537	WYQDAIXNSGNHFI-AQFXKWCLSA-N	320.433	2.273	70	20	DEID	
N[C@H]1CCC[C@H](NC(=O)CCc2cnn(-c3ccccc3)c2)C1	161121868	QEBZKFXUPRUQFA-HOTGVXAUSA-N	312.417	2.191	70	20	DEID	
CN(C)c1ccc(C(=O)N[C@H]2CCN(c3ccccn3)C2)cc1	161205115	ZTAUZDDVOQBFKC-HNNXBMFYSA-N	310.401	2.156	70	20	DEID	
CCC1(CC)[C@H](N[C@@H]2CCN(CC(F)(F)F)C2=O)C[C@H]1OC	160103394	HRINRWZUMHYECG-IJLUTSLNSA-N	322.371	2.333	70	20	DEID	
O=C(Cc1cc2ccccc2[nH]c1=O)NCCc1cccc(O)c1	160201361	OBOMPKVXRLEVTJ-UHFFFAOYSA-N	322.364	2.135	70	20	DEID	
CCCC(=O)N1CCC[C@@H](C(=O)NCCc2cccc(O)c2)C1	160238106	PEYOACUDEAGYTA-OAHLLOKOSA-N	318.417	2.090	70	20	DEID	
CC(C)(CO)CCCNC(=O)[C@@]1(C)Cc2ccccc2C(=O)O1	160359076	RQRXMTSZBSWFEY-GOSISDBHSA-N	319.401	2.073	70	20	DEID	
COCCCCNC(=O)Nc1ccc(O[C@H]2CCOC2)cc1	160364807	LNGPOESOYRENPI-HNNXBMFYSA-N	308.378	2.402	70	20	DEID	
Cc1c(F)cccc1S(=O)(=O)N[C@H]1c2ccccc2C[C@H]1O	159868734	UEDRGUKKHQXVAB-ZBFHGGJFSA-N	321.373	2.071	70	20	DEID	
Cc1cc(NC(=O)CCSCc2ccccn2)c[nH]c1=O	159539297	JIDLDQUOLNMXMV-UHFFFAOYSA-N	303.387	2.340	70	20	DEID	
Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NC[C@H](O)C(C)C	159742369	OIRJVLOWLMUGHW-HNNXBMFYSA-N	319.380	2.375	70	20	DEID	
Brc1cccc(Cc2nnn(C[C@H]3CCCO3)n2)c1	159368029	ZXHFBDQMGDCNHJ-GFCCVEGCSA-N	323.194	2.205	70	20	DEID	
COC(=O)c1cc(Br)cc(NCCO)c1Cl	159550756	OWHAQXXIIIUABL-UHFFFAOYSA-N	308.559	2.293	70	20	DEID	
COCCC(C)(C)C(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	857674080	CBYJGNVAASFSQH-UHFFFAOYSA-N	321.345	2.485	70	20	DEID	
CCS(=O)(=O)c1cccc(CC(=O)N2[C@H](C)CC[C@H]2C)c1	161042864	FMHYLQIVXAHXNY-CHWSQXEVSA-N	309.431	2.422	70	20	DEID	
CCC(CC)(CN)C(=O)N[C@H]1CCN(C(=O)C2CCCCC2)C1	161248879	BUGWJCOZNFYQBS-HNNXBMFYSA-N	323.481	2.049	70	20	DEID	
C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)CNC(=O)C(C)(C)C	161281613	WVXGNHWEFCVNMV-LLVKDONJSA-N	322.380	2.066	70	20	DEID	
Cc1csc(CNC(=O)N[C@H]2[C@H]3CCO[C@@H]3C23CCC3)n1	161336597	JVRHLDJYZDPWAQ-WXHSDQCUSA-N	307.419	2.208	70	20	DEID	
CN(CCc1ccncc1)C(=O)c1ccc(C(=O)NC2CC2)cc1	161427411	BPWXITYJKCKHFE-UHFFFAOYSA-N	323.396	2.289	70	20	DEID	
CC[C@]1(C)NC(=O)N(CC(=O)NCC(C)(C)C2CCCC2)C1=O	160008128	VEONMCYKNOHREZ-KRWDZBQOSA-N	323.437	2.040	70	20	DEID	
NC(=O)N[C@@H](CC(=O)NCC1(C2CC2)CC1)c1cccs1	160062360	XCDQVPDXEJEJAH-NSHDSACASA-N	307.419	2.154	70	20	DEID	
N[C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)C1	160192379	JPACYDICILFCNC-USWWRNFRSA-N	314.307	2.248	70	20	DEID	
COC(=O)c1cc(NC(=O)Nc2ccn(C)n2)cc(C)c1C	160242834	HUGSDSYVQGGROY-UHFFFAOYSA-N	302.334	2.468	70	20	DEID	
CC(C)NC(=O)N1CCC[C@H]1C(=O)Nc1cc(F)cc(F)c1	160243168	AIHPGZWXSBFXES-ZDUSSCGKSA-N	311.332	2.486	70	20	DEID	
CCCCn1ncc(NC(=O)NC[C@H](C)C(=O)OCC)c1C	160270069	VMXHNNXITDVECQ-NSHDSACASA-N	310.398	2.312	70	20	DEID	
FC(F)c1nnc2ccc(N[C@@H]3CCO[C@@H](C4CC4)C3)nn12	160287367	WSNATFWKZDUKMX-NXEZZACHSA-N	309.320	2.431	70	20	DEID	
C[C@@H](CC(=O)N1CCNC(=O)[C@@H]1c1ccccc1)c1ccncc1	160296850	UCHANORZYBRFMG-KSSFIOAISA-N	323.396	2.275	70	20	DEID	
O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2)C1	160389103	MZSZLAGWUUXXFY-ZBFHGGJFSA-N	318.392	2.389	70	20	DEID	
CCCN1CCCN(C(=O)CCc2nc(C(C)C)no2)CC1	160397850	FSGKSJGXZIMZJP-UHFFFAOYSA-N	308.426	2.070	70	20	DEID	
CCN(Cc1ccc2ncccc2c1)[C@@H]1CCS(=O)(=O)C1	160554198	GPNVIXRISNLZAU-OAHLLOKOSA-N	304.415	2.244	70	20	DEID	
COc1ccccc1[C@H](NC(=O)NCC[C@H](C)O)c1ccco1	160569090	HUIKPKYEYPKXGA-LRDDRELGSA-N	318.373	2.448	70	20	DEID	
C[C@@H](O)CCN(C)C(=O)N[C@H]1CCO[C@H](c2ccccc2)C1	160799050	SGUHKQFVKBUONO-KBMXLJTQSA-N	306.406	2.319	70	20	DEID	
CCCS(=O)(=O)Nc1cccc(C(=O)NC2CC=CC2)c1	160858082	UIXMZJCIYVOGTJ-UHFFFAOYSA-N	308.403	2.287	70	20	DEID	
Cc1csc(CNC(=O)N(C)CCC(=O)OC(C)(C)C)n1	159631713	BVORKSFJEXCTDD-UHFFFAOYSA-N	313.423	2.325	70	20	DEID	
CCC(CC)(CNCC(=O)NCC1CCCCC1)C(=O)OC	159679344	SGMFMOGNUNVIOH-UHFFFAOYSA-N	312.454	2.252	70	20	DEID	
COC[C@H](NC(=O)Nc1ccc(N(C)C(C)=O)cc1)C1CC1	159686373	PIZWQMHSCCIKSY-HNNXBMFYSA-N	305.378	2.216	70	20	DEID	
NC1(CNC(=O)CSCC(=O)c2ccccc2)CCCCC1	159497900	VSVVSNNGLSAJRJ-UHFFFAOYSA-N	320.458	2.380	70	20	DEID	
COC[C@@H](NC(=O)C[C@@H]1CSCCS1)c1ccco1	159905668	YDCUFGFDSYCXSK-GHMZBOCLSA-N	301.433	2.322	70	20	DEID	
CCN1CCCN(C(=O)N[C@@H](C)COc2cccc(C)c2)CC1	159732541	APLFDEJJHMKJQJ-INIZCTEOSA-N	319.449	2.500	70	20	DEID	
O=C(N[C@H]1CCCC2(CC2)C1)c1cc(S(=O)(=O)F)c[nH]1	1518552199	WHYVVXNTWPBEHR-VIFPVBQESA-N	300.355	2.126	70	20	DEID	
N[C@@H]1CCC[C@H](NC(=O)C2(c3ccc(F)cc3)CCOCC2)C1	161066273	GXHCLUUARHOFGT-CVEARBPZSA-N	320.408	2.260	70	20	DEID	
CO[C@@H](C)C(=O)NCc1ccc(COC2CCOCC2)cc1	161257956	HQTVRAXDHAMNPX-ZDUSSCGKSA-N	307.390	2.033	70	20	DEID	
O=C(c1ccc(C(F)(F)F)cn1)N1CCCC[C@@H]1CCO	161281694	IAJQDYHHNSBVCP-LLVKDONJSA-N	302.296	2.478	70	20	DEID	
CCCCN(CC)C(=O)CN1CCC[C@H](c2nncn2CC)C1	161304329	UAMDXAMJWTVLJP-HNNXBMFYSA-N	321.469	2.126	70	20	DEID	
O=C(Cc1ccsc1)NC1CCN([C@H]2CCCC[C@@H]2O)CC1	160303260	GYUNDYDWZWUTJC-HOTGVXAUSA-N	322.474	2.175	70	20	DEID	
COc1ccc([C@H](C)N[C@H]2CCc3nc(C)nn3C2)cc1F	160384187	QTUZZEAFHMKURY-GWCFXTLKSA-N	304.369	2.400	70	20	DEID	
CCc1nsc(N2CCC[C@@H]2CN2C[C@H](C)O[C@H](C)C2)n1	160482392	AMDSVBQVMGRESL-FRRDWIJNSA-N	310.467	2.179	70	20	DEID	
COC(=O)NCCCC(=O)O[C@@H](c1ccccn1)C(F)(F)F	160511620	VHUPOMUFQLUTET-NSHDSACASA-N	320.267	2.364	70	20	DEID	
CCc1cc(C)c(C(=O)N(C2CC2)[C@@H](C)CS(C)(=O)=O)o1	160620089	ROMJJWGADKNVJA-NSHDSACASA-N	313.419	2.188	70	20	DEID	
CC(C)(C)c1nc(CCNC(=O)CN2CCCCC2=O)cs1	160669149	UEZGTFBOQTUMOD-UHFFFAOYSA-N	323.462	2.112	70	20	DEID	
CCC(CC)[C@H](O)CNC(=O)Nc1ccn(CC(F)(F)F)n1	160732123	SUDQQZPPLNPWNW-SNVBAGLBSA-N	322.331	2.364	70	20	DEID	
CCOCCCC(=O)Nc1ccc(CS(C)(=O)=O)c(F)c1	160809664	VHHWKWXSTIXTGJ-UHFFFAOYSA-N	317.382	2.126	70	20	DEID	
Cc1cc(Br)cc2cc(C(=O)N3CC(O)C3)oc12	160843839	BUJFOIYSLYHERI-UHFFFAOYSA-N	310.147	2.320	70	20	DEID	
Cn1cnc2cc(C(=O)NCCC[C@H]3CCCC[C@@H]3O)cnc21	160905568	UOQUKDRZAFGTIZ-DOMZBBRYSA-N	316.405	2.029	70	20	DEID	
C[C@H]1CN(C(=O)Nc2ccc(C(C)(C)C(N)=O)cc2)C[C@@H](C)O1	159839830	FOYLSMBXJGPWLR-TXEJJXNPSA-N	319.405	2.091	70	20	DEID	
Cc1noc(COCC(=O)N[C@H]2CCCc3sccc32)n1	159875824	ANNDJFPCNBPLNW-NSHDSACASA-N	307.375	2.150	70	20	DEID	
O=C(CCCNC(=O)C1CC1)NCCc1cc2ccccc2[nH]1	159689346	XQKXVVUWUFYVMJ-UHFFFAOYSA-N	313.401	2.133	70	20	DEID	
CNC(=O)CC1CCN(C(=O)CCc2ccc(F)cc2F)CC1	159775844	XYQWYKMSZAPSGZ-UHFFFAOYSA-N	324.371	2.272	70	20	DEID	
COc1ccc(CNC(=O)NCCc2ccc(O)cc2)cc1	217271167	RJBBOCSXMIEJCD-UHFFFAOYSA-N	300.358	2.443	70	20	DEID	
COc1nc(C)ccc1C(=O)Nc1ccc(S(=O)(=O)F)cc1	460091639	KKSPPWJCNMRQRW-UHFFFAOYSA-N	324.333	2.309	70	20	DEID	
Cc1ccc(NC(=O)[C@@H]2CCCOC2)cc1S(=O)(=O)F	857675453	NZWCDPZHJKNOBN-SNVBAGLBSA-N	301.339	2.018	70	20	DEID	
O=C(NCCCC1CCCC1)c1cc(S(=O)(=O)F)c[nH]1	1120866138	HRONZCIXNIPTKH-UHFFFAOYSA-N	302.371	2.373	70	20	DEID	
O=C(NCC[C@@H]1C[C@H]2CC[C@H]1C2)c1cc(S(=O)(=O)F)c[nH]1	1336413763	QETXJLSLXRBKIC-GARJFASQSA-N	314.382	2.229	70	20	DEID	
C/C(=C/c1ccccc1)CN1CCN(C(=O)[C@@H]2CCCO2)CC1	161006975	MHTUYFJWOROIMQ-BROZXCPCSA-N	314.429	2.413	70	20	DEID	
CC(C)(C)[C@@H](CCO)NC(=O)NCc1ccc2c(c1)OCCO2	161222696	OVSLUHJPFBTLOS-OAHLLOKOSA-N	322.405	2.054	70	20	DEID	
CC(C)(C)n1cc(NC(=O)NCCCNC(=O)C2CCC2)cn1	161288683	FGBYSTMSUDCRKN-UHFFFAOYSA-N	321.425	2.066	70	20	DEID	
CCc1ccccc1NC(=O)Cn1c(-c2cccnc2)noc1=O	161303963	QNFCKAJKCJORDM-UHFFFAOYSA-N	324.340	2.099	70	20	DEID	
CC(C)c1ncc(C(=O)NCCC(=O)Nc2cccnc2)s1	161310581	NTGSJKJWZXVSHZ-UHFFFAOYSA-N	318.402	2.420	70	20	DEID	
Cc1cccc(C)c1NC(=O)N(CCS(C)(=O)=O)C1CC1	160035213	PXWVZADMDCNPIJ-UHFFFAOYSA-N	310.419	2.344	70	20	DEID	
CCc1ccc(CC(=O)N2CCC(c3nncn3C)CC2)cc1	160101065	ZUIBWLZDLPMPSB-UHFFFAOYSA-N	312.417	2.326	70	20	DEID	
CCCCN(CC)C(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1	160348247	AEWYVCLERFCQQX-QGZVFWFLSA-N	317.389	2.003	70	20	DEID	
Cc1cccc(OC[C@@H](C)NC(=O)[C@H]2CCn3ccnc3C2)c1	160357140	YCKMAEFPCVAJHF-CABCVRRESA-N	313.401	2.338	70	20	DEID	
CC[C@H](C)c1cc(C(=O)NCCCCN2CCOCC2)on1	160681789	NUKZKNXQLURQIK-ZDUSSCGKSA-N	309.410	2.030	70	20	DEID	
C[C@@H]1CCC[C@H](C(=O)Nc2ccc(CS(N)(=O)=O)cc2)C1	159458700	FRUWUAQVPYWTJX-YPMHNXCESA-N	310.419	2.240	70	20	DEID	
CC(=O)N1CC[C@@H](NC(=O)C(C)(C)c2ccc(Cl)cc2)C1	159513625	UJJYJGRCOPLIGJ-CQSZACIVSA-N	308.809	2.355	70	20	DEID	
CCCCN(C)S(=O)(=O)CCC(=O)OCc1ccccc1	159582321	IASPDVAZZBMLKQ-UHFFFAOYSA-N	313.419	2.182	70	20	DEID	
CSC[C@@](C)(O)CNC(=O)c1cc(F)c(F)c(F)c1F	217635004	RNEYDFFTDMNMRS-LBPRGKRZSA-N	311.300	2.087	70	20	DEID	
CC[C@H](COC)NS(=O)(=O)c1cc(OC)ccc1Cl	160296738	JOPYKAHGKCPCQX-SECBINFHSA-N	307.799	2.052	70	20	DEID	
CC(C)N1C[C@@H](NC(=O)N2c3ccccc3C[C@H]2C)CC1=O	217288912	IMDVTOKFWRHKLZ-OCCSQVGLSA-N	301.390	2.157	70	20	DEID	
N#CC1CCC(CNC(=O)c2ccc(S(=O)(=O)F)cc2)CC1	864240834	CVKZFHIFXABYGV-UHFFFAOYSA-N	324.377	2.405	70	20	DEID	
C[C@@]1(CNC(=O)c2cccc(S(=O)(=O)F)c2)CCCS1	1354469667	PWBIICLJJGJKBY-ZDUSSCGKSA-N	317.407	2.360	70	20	DEID	
Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)[C@@H]2CSCN2)cc1	161098821	RKWPCVMKYQXHMS-JYJNAYRXSA-N	320.458	2.241	70	20	DEID	
Cc1ccc2c(c1)[C@@H](NC(=O)N(C)CC1CCOCC1)CO2	160051791	PVOPPJSLWZOIND-HNNXBMFYSA-N	304.390	2.497	70	20	DEID	
COc1ccc(C)nc1NC(=O)N[C@H](CO)Cc1ccccc1	160458739	KHFIWAFDOIDROJ-AWEZNQCLSA-N	315.373	2.124	70	20	DEID	
CCc1cc(C(=O)NCC2CCN(CCO)CC2)sc1C	160601568	UYEWRCXFNMOACB-UHFFFAOYSA-N	310.463	2.053	70	20	DEID	
Cc1cc(C)c(C(=O)N[C@@H](C)CC(=O)c2cccs2)c(=O)[nH]1	160693061	CSUAZLCNUWOEQQ-NSHDSACASA-N	318.398	2.445	70	20	DEID	
CNC(=O)COc1cccc(CC(=O)N2[C@@H](C)CCC[C@H]2C)c1	160764161	PUTVKQGUJSZISY-OKILXGFUSA-N	318.417	2.143	70	20	DEID	
C[C@H](NC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1)c1nc[nH]n1	160925164	YQPZTTCRZQQDPX-UBHSHLNASA-N	315.377	2.085	70	20	DEID	
Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N(C)CC1CCOCC1	159433279	COROMHKPJRMMGH-GFCCVEGCSA-N	322.453	2.036	70	20	DEID	
Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N(C)CC1CCOCC1	159433413	COROMHKPJRMMGH-LBPRGKRZSA-N	322.453	2.036	70	20	DEID	
Cc1cc(C)c(CNC(=O)CS(=O)(=O)C(C)(C)C)c(C)c1	159447074	ZRVIYPXQWGGNMT-UHFFFAOYSA-N	311.447	2.441	70	20	DEID	
CN1CCC(NC(=O)Cc2cccc(OC(F)(F)F)c2)CC1	159854056	FYLVBZXLEYCKMP-UHFFFAOYSA-N	316.323	2.338	70	20	DEID	
CC(=O)N1CC[C@@H](NC(=O)Cc2cc(Cl)ccc2Cl)C1	159524798	JNEWNOFKRMAUJM-GFCCVEGCSA-N	315.200	2.273	70	20	DEID	
C[C@H]1CCCN(C[C@@H](C)NC(=O)N(C)CC2CCOCC2)C1	159771170	SMLGKRVJSYJFOU-LSDHHAIUSA-N	311.470	2.175	70	20	DEID	
O=C(C[C@@H]1COC(=O)C1)N[C@@H]1CCSc2ccc(F)cc21	159798306	BCJLQYJETVHCCT-JOYOIKCWSA-N	309.362	2.432	70	20	DEID	
C[C@@H](C(=O)OC(C)(C)C)N1CCN(C(=O)OC(C)(C)C)CC1	217725773	KROZUPKSIJMJSH-LBPRGKRZSA-N	314.426	2.269	70	20	DEID	
N#CC1(N(C(=O)c2ccc(S(=O)(=O)F)cc2)C2CC2)CCC1	890155663	FCWPQELTEJTCKN-UHFFFAOYSA-N	322.361	2.396	70	20	DEID	
CCc1ccc(CCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)cc1	1336949339	NCYRUALHATWWPF-UHFFFAOYSA-N	324.377	2.208	70	20	DEID	
CC(C)CC(=O)NCCc1ccc(S(=O)(=O)Cl)s1	100470128	OQTLUUPZFGTFAP-UHFFFAOYSA-N	309.840	2.380	70	20	DEID	in-vitro
CC[C@@H]1CCCC[C@@H]1N(C)C(=O)C[C@@H]1CCS(=O)(=O)C1	161233009	JDWVCKFRONOZGS-MJBXVCDLSA-N	301.452	2.238	70	20	DEID	
CC(C)(C)n1cc(NC(=O)N[C@@H]2c3ccccc3C[C@H]2O)cn1	161286217	KFHRWPFYWMBTCO-HUUCEWRRSA-N	314.389	2.418	70	20	DEID	
CCc1ccc([C@@H](CNC(=O)c2cc(C)ncn2)N(C)C)cc1	161301718	YMGXMEOLURIVBB-QGZVFWFLSA-N	312.417	2.380	70	20	DEID	
CCCN(CC(=O)NC)C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F	161388339	JBPDZAJGOBVCRZ-NWDGAFQWSA-N	310.344	2.053	70	20	DEID	
CCN(c1ccc(C(=O)N2CCCC[C@H]2C(N)=O)cc1)C(C)C	160071143	BUIDMTZSLLKLCK-INIZCTEOSA-N	317.433	2.401	70	20	DEID	
C[C@@H]1CN(C(=O)NC[C@@H]2CCCO2)C[C@H](c2ccsc2)O1	160180344	UUKXOEJCVXPVLU-KWCYVHTRSA-N	310.419	2.399	70	20	DEID	
CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)N[C@@H](C)CCO	160400017	HUPHYJAIELEOAB-WDMOLILDSA-N	314.813	2.486	70	20	DEID	
COCCCn1ccc(NC(=O)C[C@H](C)c2c(C)n[nH]c2C)n1	160406512	YWVGKVNQVYTMIH-NSHDSACASA-N	319.409	2.392	70	20	DEID	
CC(C)[C@@H](NC(=O)Cc1ccccc1O)C(=O)OC(C)(C)C	160488640	RQLYWIWWNPIVTI-OAHLLOKOSA-N	307.390	2.417	70	20	DEID	
Cc1cc(Cl)cc(C(=O)NC[C@@H](O)CN2CCCCC2)c1	160611979	XHKLHPFPUCRBLL-OAHLLOKOSA-N	310.825	2.225	70	20	DEID	
CCOC(=O)C1CCN(C(=O)c2ccnc(Cl)c2F)CC1	160743718	CEKVFMBXFODYAF-UHFFFAOYSA-N	314.744	2.289	70	20	DEID	
COC[C@@H](NC(=O)Nc1ccccc1O[C@H]1CCOC1)C1CC1	160993687	SJOWCUOEPCMDTH-DZGCQCFKSA-N	320.389	2.401	70	20	DEID	
Cc1ccc(NC(=O)C(=O)NCc2ccccc2Cl)cn1	159729305	IMHGYMAYCZYIRR-UHFFFAOYSA-N	303.749	2.298	70	20	DEID	
CCN(C)C(=O)Nc1ccccc1S(=O)(=O)NC(C)(C)C	159367941	FCWPZHOIMXHWPQ-UHFFFAOYSA-N	313.423	2.247	70	20	DEID	
C[C@H]1CC(=O)CC[C@@H]1C(=O)NCc1ccnc(N2CCCC2)c1	159553303	VWYLEAGTJJYBFF-BBRMVZONSA-N	315.417	2.303	70	20	DEID	
COc1cccc(/C=C/C(=O)NCC(C)(C)N)c1OC(F)F	159957489	BLCSYAPFEYRXPF-BQYQJAHWSA-N	314.332	2.163	70	20	DEID	
O=C(Nc1ncc(Cl)s1)c1cc(S(=O)(=O)F)c[nH]1	1263716648	JFQIPAFWYQFBIC-UHFFFAOYSA-N	309.731	2.035	70	20	DEID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)NC[C@H]1CCC=CO1	1518040555	FIALRUOHRXCYMO-LLVKDONJSA-N	313.350	2.076	70	20	DEID	
COC(=O)C1CCN(C(=O)[C@H](C)c2c(F)cccc2F)CC1	161065387	DGLDIWKQNVELCT-SNVBAGLBSA-N	311.328	2.480	70	20	DEID	
C[C@H](NC(N)=O)C(=O)N1CCCC[C@H]1CCCc1ccccc1	161200706	GXZLHAJLPRJRDG-HOCLYGCPSA-N	317.433	2.447	70	20	DEID	
COc1ccccc1CCNC(=O)N[C@H](CCO)C(C)(C)C	161286627	XPPLLBBRWBBMIJ-OAHLLOKOSA-N	308.422	2.334	70	20	DEID	
CN1CCC[C@H]1CCN1CCN(CCOc2ccccc2)CC1	161295487	IKISYCQCIMXILT-SFHVURJKSA-N	317.477	2.167	70	20	DEID	
O=C(NCCNCc1ccc(F)c(C(F)(F)F)c1)C1CC1	160139800	FXVVUJMJNBPXEY-UHFFFAOYSA-N	304.287	2.460	70	20	DEID	
CCCCO[C@H](C)C(=O)N(C)CC(C)(C)CN1CCOCC1	160140579	UMYBZSHPXWNQRU-OAHLLOKOSA-N	314.470	2.008	70	20	DEID	
Cc1cc(C(=O)N2CSC[C@H]2C(=O)N(C)C2CC2)oc1C	160199234	UMBAWMUSPKPEKE-LBPRGKRZSA-N	308.403	2.032	70	20	DEID	
Cc1cc(F)c(C(=O)Nc2nc(CC(N)=O)cs2)cc1F	160432904	TXXMZBXWOWIWKH-UHFFFAOYSA-N	311.313	2.010	70	20	DEID	
COc1ccccc1CC(=O)NC[C@H]1CCCN1CC(C)C	160545682	TWSDYHGYYKNRRC-MRXNPFEDSA-N	304.434	2.474	70	20	DEID	
CN(Cc1cccn1C)C(=O)C(=O)c1cnn(-c2ccccc2)c1	160570853	OQZASUYRNNOFLE-UHFFFAOYSA-N	322.368	2.052	70	20	DEID	
Cc1c(C(=O)N[C@@H](C)C[C@@H]2CCCO2)cnn1C1CCOCC1	160836290	XDWWWRYRESPHKX-WFASDCNBSA-N	321.421	2.230	70	20	DEID	
CCN(CCS(C)(=O)=O)C(=O)Nc1ccc(Cl)c(F)c1	160908515	VYCRAUZJUOBDPG-UHFFFAOYSA-N	322.789	2.378	70	20	DEID	
COc1cc([C@@H](C)NCC(=O)NC(C)C)ccc1OC(F)F	160929134	XCSSSHVKUUCSCJ-SNVBAGLBSA-N	316.348	2.472	70	20	DEID	
COC(=O)Cn1cc(CCSCCCc2ccccc2)nn1	159805610	SDXMJAKXJQGHNB-UHFFFAOYSA-N	319.430	2.360	70	20	DEID	
Cc1noc(NC(=O)Cc2ccc(Br)c(F)c2)n1	159886657	DHTBPRXCTWTWKR-UHFFFAOYSA-N	314.114	2.461	70	20	DEID	
COc1cc2c(c(CN3CCC(CC(N)=O)CC3)c1)O[C@H](C)C2	159726301	MPVVAEQURKEVHG-GFCCVEGCSA-N	318.417	2.106	70	20	DEID	
COC[C@@H](O)CNC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl	159533731	ROSBNEDLMDTSQT-GDPRMGEGSA-N	318.200	2.220	70	20	DEID	
CNC(=O)COc1cccc(CC(=O)N[C@H](C)CCC(C)C)c1	159562307	JTVNKHVFKYYZCY-CQSZACIVSA-N	320.433	2.295	70	20	DEID	
CC[C@H](C)[C@@H](OC)C(=O)Nc1cccc(S(=O)(=O)F)c1	460088052	BWLFLGORZQETDK-JOYOIKCWSA-N	303.355	2.344	70	20	DEID	
Cc1ccc(NC(=O)[C@H](C)OCC2CC2)cc1S(=O)(=O)F	857675725	YWDOJTCFIMJQNQ-JTQLQIEISA-N	315.366	2.407	70	20	DEID	
C=CCN(C(=O)c1cccc(S(=O)(=O)F)c1)[C@@H](C)COC	1121185780	WYJFNINKASGKRQ-NSHDSACASA-N	315.366	2.008	70	20	DEID	
O=C(N[C@H]1C[C@@H]1C1CCCCC1)c1cc(S(=O)(=O)F)c[nH]1	1340081885	ILGKTWJAKCBMJQ-NEPJUHHUSA-N	314.382	2.372	70	20	DEID	
CCN(CC(=O)N[C@@H](C)c1ccccc1)Cc1cnn(C)c1	161080269	GORUYAUPMADKMF-AWEZNQCLSA-N	300.406	2.119	70	20	DEID	
CCCn1c(C)nnc1CN1CC[C@@H](Oc2ccncc2)C1	161469885	KXLBUDKPWCDOKU-OAHLLOKOSA-N	301.394	2.045	70	20	DEID	
NC[C@@H]1CCCN1C(=O)c1csc(CCc2ccccc2)n1	160259758	CZEWHGBXIGULAO-AWEZNQCLSA-N	315.442	2.492	70	20	DEID	
CCc1nn(C)c(Cl)c1C(=O)N[C@H](C)CN1CCCCC1	160265450	YXKXBFUUKRBQSY-LLVKDONJSA-N	312.845	2.240	70	20	DEID	
Cc1cc(CNC(=O)Nc2ccc(O[C@H]3CCOC3)cc2)on1	160273690	QPXQINSEKSCLBI-AWEZNQCLSA-N	317.345	2.472	70	20	DEID	
O=C(NCC1(CO)CCCC1)c1cc(F)c(F)c(O)c1F	160332645	JVQNRDXGPHNPGX-UHFFFAOYSA-N	303.280	2.092	70	20	DEID	
COC[C@H]1CCCN1C(=O)Nc1ccn(CC(F)(F)F)n1	160333478	PBRMZYJOVUDTDJ-SECBINFHSA-N	306.288	2.088	70	20	DEID	
O=C(NCCCNC1CCCCC1)N[C@H]1CCN(CC2CC2)C1	160613504	AYWNJSBLJUAVSG-KRWDZBQOSA-N	322.497	2.082	70	20	DEID	
CCc1nnc(NS(=O)(=O)Cc2cccc(F)c2)s1	160974037	COJZBTASXHCWIP-UHFFFAOYSA-N	301.368	2.182	70	20	DEID	
CCC(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CCOC2(CCCC2)C1	159734198	ZOQPGEBLAGPDAR-LSDHHAIUSA-N	322.449	2.386	70	20	DEID	
C[C@@H](CCO)NC(=O)NCCOc1cccc(C(C)(C)C)c1	159957628	ALJNTUHQRVJJHO-ZDUSSCGKSA-N	308.422	2.433	70	20	DEID	
Cn1cnnc1[C@H]1CCCN1C(=O)Nc1cccc(F)c1F	159984627	LATOCFXZNOWWIJ-LLVKDONJSA-N	307.304	2.462	70	20	DEID	
CCCCOc1ccccc1NC(=O)NCC[C@@H](O)COC	159799417	YZRCVAZXKWZNSH-CYBMUJFWSA-N	310.394	2.384	70	20	DEID	
CCCCNC(=O)N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1	160299887	AIVLEXSXYQAKPY-SJORKVTESA-N	317.433	2.081	70	20	DEID	
COC(=O)C[C@H]1CCCCN1c1nnc(C(F)(F)F)s1	160420047	BVJZXVPRXVSVBA-SSDOTTSWSA-N	309.313	2.479	70	20	DEID	
O=C(c1ccc(S(=O)(=O)F)cc1)N1C[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1	864241996	RUVDYGCNFUWNPU-NZBPQXDJSA-N	321.373	2.239	70	20	DEID	
O=C(Cc1ccccc1Br)NC1CCC(O)CC1	217269664	MFQYPJATEAFGFF-UHFFFAOYSA-N	312.207	2.411	70	20	DEID	
CC(=O)NC1CCC(NCCN2c3ccccc3C[C@@H]2C)CC1	161369121	ORYIKLDJJCPIKE-NNGSBXSVSA-N	315.461	2.475	70	20	DEID	
COCc1ccc([C@@H]2CCCN2C(=O)COC[C@@H]2CCOC2)o1	161371834	IAHHZYWEGQUJDA-HIFRSBDPSA-N	323.389	2.143	70	20	DEID	
CCN(CC)[C@@H](CNC(=O)N1CCC[C@@](C)(O)C1)CC(C)C	160138328	RWFDCYYACQLBOE-NVXWUHKLSA-N	313.486	2.299	70	20	DEID	
CCc1n[nH]c(=O)c(CNC(=O)/C=C/c2ccc(C)o2)c1CC	160140362	ZYRXBKCAAUACDK-CMDGGOBGSA-N	315.373	2.126	70	20	DEID	
COc1cccc(N2CCN(Cc3cn(C)nc3C)CC2)c1	160681896	WWBZXBAKDAEQCF-UHFFFAOYSA-N	300.406	2.059	70	20	DEID	
O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)N1CCC[C@@H]1CO	160692929	RCIIPSXXBVVXOQ-BZUAXINKSA-N	304.390	2.073	70	20	DEID	
C[C@H](NC(=O)[C@H](C)Cc1ccccc1Cl)[C@@H]1CN(C)CCO1	160873383	PHWYEHNKMMTGRE-WWGRRREGSA-N	324.852	2.354	70	20	DEID	
COc1ccc(CNC(=O)NCCc2ccncc2C)cc1O	159409961	DFYLGAULYYZERN-UHFFFAOYSA-N	315.373	2.146	70	20	DEID	
Cc1cc(NC(=O)c2cnc(-c3ccccn3)s2)c[nH]c1=O	159651481	LWARVILROVXDQW-UHFFFAOYSA-N	312.354	2.454	70	20	DEID	
C[C@@H](N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1cccc(F)c1F	159473400	BATPDRRLEDVXBL-QMTHXVAHSA-N	320.343	2.154	70	20	DEID	
CSCC[C@H](N)C(=O)NC[C@H](C)c1ccc(F)cc1F	159494621	IPLFBKUJNMMGIG-ZANVPECISA-N	302.390	2.265	70	20	DEID	
C[C@@H](CO)CNS(=O)(=O)c1ccccc1-c1ccccc1	159695769	WNBRGMCFMCKWAZ-CYBMUJFWSA-N	305.399	2.260	70	20	DEID	
Cc1noc([C@@H](C)N2CCN(C(=O)CCC(C)(C)C)CC2)n1	159705796	FVRHQGIVTOPTTB-GFCCVEGCSA-N	308.426	2.410	70	20	DEID	
CC(=O)c1ccc(NC(=O)C(=O)N2CCC3(CCC3)C2)cc1	159379572	MCRCSEKBDCNSLB-UHFFFAOYSA-N	300.358	2.230	70	20	DEID	
CC1(NS(=O)(=O)c2cncc(Br)c2)CCC1	159908213	CETXITKFQHQXNW-UHFFFAOYSA-N	305.197	2.065	70	20	DEID	
CC1(C)CC[C@H](COC(=O)c2ccc(S(=O)(=O)F)cc2)O1	838093937	UZEYBVZEDMAPMD-LLVKDONJSA-N	316.350	2.459	70	20	DEID	
O=C(c1cc(S(=O)(=O)F)ccc1Cl)N1C[C@H]2C[C@H]2C1	1355010135	OAAQTVZDFRVZQJ-OCAPTIKFSA-N	303.742	2.090	70	20	DEID	
O=C(Nc1ccc(OCC2CCOCC2)cc1)[C@@H]1CCCNC1	161035723	HABUFEONKVDAIO-OAHLLOKOSA-N	318.417	2.430	70	20	DEID	
O=C1C[C@@H](CC(=O)N2CC[C@H](Oc3ccccc3Cl)C2)CO1	161422609	JTSQQANYZCAGPD-NEPJUHHUSA-N	323.776	2.273	70	20	DEID	
CCCOc1ncccc1CNC(=O)N(C)C[C@H]1CCC[C@H]1O	160036886	YHPJNBOXLOBFOI-HUUCEWRRSA-N	321.421	2.173	70	20	DEID	
Cc1ccc(-n2cnnn2)cc1NC(=O)C[C@@H](C)c1ccncc1	160057754	DNHNEKVWGHMGRN-CYBMUJFWSA-N	322.372	2.498	70	20	DEID	
CC(C)N(C)CCNC(=O)Cc1csc(-c2ccoc2)n1	160181781	NYCIIHIBJOPNLG-UHFFFAOYSA-N	307.419	2.402	70	20	DEID	
Cc1noc(CCCC(=O)N[C@H]2CCOC3(CCCC3)C2)n1	160223369	MIMFSZASYIRRFE-ZDUSSCGKSA-N	307.394	2.309	70	20	DEID	
CC[C@H](NC(=O)[C@@H](C)OC[C@@H]1CCCO1)c1c(C)noc1C	160406973	NCXBZKVBQLXNAE-RDBSUJKOSA-N	310.394	2.443	70	20	DEID	
C[C@]1(C(=O)N[C@H](Cc2ccccc2)C(F)(F)F)CCNC1	160832774	NBBOPQNUWMRWEH-OCCSQVGLSA-N	300.324	2.276	70	20	DEID	
CCS(=O)(=O)CCN(C)C(=O)[C@@H](c1ccccc1)C1CC1	159450365	MGRIKLVMLCYFRT-HNNXBMFYSA-N	309.431	2.073	70	20	DEID	
O=C(NC[C@@H](c1ccco1)N1CCCCC1)[C@@H]1CCCCO1	159871751	DDSIPEBOLCHYHX-HOCLYGCPSA-N	306.406	2.492	70	20	DEID	
CCN(CC)C(=O)[C@H]1CCCN1C(=O)c1cccc2[nH]cnc12	159483739	IABNILZGQULCIK-CQSZACIVSA-N	314.389	2.036	70	20	DEID	
CC(C)NC(=O)NC(=O)[C@H](C)N[C@H](C)c1cccc(F)c1F	159500506	MKJPUGNTSGRMIR-ZJUUUORDSA-N	313.348	2.238	70	20	DEID	
CNC(=O)[C@H]1CCCN1C(=O)N[C@@H](C)c1ccc(C)c(F)c1	159738061	OFNLRYYUTIXZPJ-SMDDNHRTSA-N	307.369	2.115	70	20	DEID	
CCN1CCCN(C(=O)NCCCCCCCN(C)C)CC1	159762867	RDURJTNJLFQKMS-UHFFFAOYSA-N	312.502	2.236	70	20	DEID	
C[C@H]1C[C@@H](C)O[C@H]1C(=O)Nc1cccc(S(=O)(=O)F)c1	283603258	TWOJKQUCFUFNMJ-YGOYTEALSA-N	301.339	2.097	70	20	DEID	
O=S(=O)(F)c1cccc(NS(=O)(=O)c2ccsc2)c1	490538161	XEOVLSXSKRNOJA-UHFFFAOYSA-N	321.376	2.207	70	20	DEID	
O=S(=O)(F)c1cccc(NS(=O)(=O)c2cccs2)c1	490537765	VGOAFEDNOTYHTE-UHFFFAOYSA-N	321.376	2.207	70	20	DEID	
N#CCCCCNC(=O)CCc1ccc(S(=O)(=O)F)cc1	1337064619	XYUPPBSADVGQOJ-UHFFFAOYSA-N	312.366	2.087	70	20	DEID	
C[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)c2ccccc2O1	1348695296	ACULRQNRIWRPHE-VIFPVBQESA-N	324.333	2.101	70	20	DEID	
O=C(/C=C/C(=O)Nc1ccc2[nH]ncc2c1)NCc1ccccc1	161139368	JANFGGJTSXGEQN-CMDGGOBGSA-N	320.352	2.374	70	20	DEID	
CN(C)CCc1ccc(NC(=O)[C@@H]2CCn3ccnc3C2)cc1	161338418	HVBONEQDRKDARQ-OAHLLOKOSA-N	312.417	2.188	70	20	DEID	
CC[C@@H](C(=O)Nc1ccn(CCC(N)=O)n1)c1ccc(F)cc1	160110454	SRMCTARPDLNZGG-CYBMUJFWSA-N	318.352	2.030	70	20	DEID	
CCc1n[nH]c(=O)c(CNC(=O)N(CC)C[C@H](C)CC)c1CC	160302629	RZDCHYRHZJXJBL-GFCCVEGCSA-N	322.453	2.472	70	20	DEID	
CC[C@@H](CC(=O)N(C)C[C@@H](C)C(=O)NC)c1ccc(OC)cc1	160419699	DETWGFRTNXGYAC-KGLIPLIRSA-N	320.433	2.419	70	20	DEID	
Cc1nnc2ccc(C(=O)N(C)c3ccc4c(c3)OCO4)cn12	160437071	JBQUGCGVJUMDLC-UHFFFAOYSA-N	310.313	2.043	70	20	DEID	
Cc1cc(Oc2ccc(NC(=O)C[C@@H]3COC(=O)C3)cc2)n[nH]1	160489898	LDMPMSOAQZLNSZ-NSHDSACASA-N	315.329	2.402	70	20	DEID	
COC(=O)c1ccc(NC(=O)c2cnc3c(c2)ncn3C)cc1	159634577	RGVZIYFXIBFFII-UHFFFAOYSA-N	310.313	2.007	70	20	DEID	
CC(=O)N1CC[C@@H](NC(=O)CCc2c[nH]c3c(C)cccc23)C1	159846569	NVCKCRCUHKAYAU-OAHLLOKOSA-N	313.401	2.146	70	20	DEID	
CC(C)NC(=O)C(=O)Nc1ccc2c(c1)ncn2-c1ccccc1	159697578	HNVGNODCMSYHQZ-UHFFFAOYSA-N	322.368	2.489	70	20	DEID	
C[C@@H](CNC(=O)N1CCc2cccc(F)c2C1)N(C)C1CC1	159798018	UPKKGHIFLZSGLM-LBPRGKRZSA-N	305.397	2.376	70	20	DEID	
COCCC(C)(C)C(=O)Nc1cccc(S(=O)(=O)F)c1	460091184	JHWMOTOVVZEROM-UHFFFAOYSA-N	303.355	2.346	70	20	DEID	
C[C@H]1CCC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1121186911	VKBSTVQHJIOBNH-UWVGGRQHSA-N	302.371	2.372	70	20	DEID	
C=CCOCCNc1ccc([N+](=O)[O-])cc1CS(=O)(=O)F	882170143	JUUNHGFAGGGBPX-UHFFFAOYSA-N	318.326	2.009	70	20	DEID	
CC(C)C(C)(C)NC(=O)Cc1ccc(S(=O)(=O)F)cc1	1262789457	ILYQBYKFVIVWJM-UHFFFAOYSA-N	301.383	2.438	70	20	DEID	
COC(=O)[C@@H](NC(=O)c1ccc(C(F)(F)F)cn1)C(C)C	161099734	NHLWEIVJAMWZSM-JTQLQIEISA-N	304.268	2.028	70	20	DEID	
CCCS(=O)(=O)Nc1c(C(=O)OCC)ccc(F)c1C	161250734	HDTFGAMUNXSRPM-UHFFFAOYSA-N	303.355	2.463	70	20	DEID	
Cc1cccc(C)c1NC(=O)Cn1c(-c2cccnc2)noc1=O	161325310	UDVZBFMGRRVRPR-UHFFFAOYSA-N	324.340	2.154	70	20	DEID	
CNC(=O)c1cccc(NC(=O)N[C@H]2CCO[C@H](C3CC3)C2)c1	161414127	SDDSLMLKZQROQR-GJZGRUSLSA-N	317.389	2.125	70	20	DEID	
C[C@@H]1CCC[C@@](CNC(=O)[C@@H]2CCn3ccnc3C2)(N(C)C)C1	160310582	ANIWSRWHIZGXFR-IIDMSEBBSA-N	318.465	2.072	70	20	DEID	
O=C(CCCNC(=O)c1cccnc1)N[C@@H]1CCc2ccccc21	160340317	HNNACSWZGNYJGG-QGZVFWFLSA-N	323.396	2.395	70	20	DEID	
Cc1csc(=O)n1CC(=O)c1cc2c(cc1F)NC(=O)CC2	160341890	OCWLZJDQPNUJSS-UHFFFAOYSA-N	320.345	2.125	70	20	DEID	
CCO[C@@H]1C[C@@H](N(C)C(=O)NC2CCN(CC)CC2)C12CCC2	160752903	RCCSWWVHLYRUIL-HZPDHXFCSA-N	323.481	2.460	70	20	DEID	
CCCCN1CCCC[C@H]1CNC(=O)N1CCCN(CC)CC1	159836838	QBAXDUSEKOJVPL-KRWDZBQOSA-N	324.513	2.378	70	20	DEID	
COC(=O)C1(N(C)Cc2nc(-c3ccco3)no2)CCCC1	159462897	NMRZEWSEXVJHSM-UHFFFAOYSA-N	305.334	2.247	70	20	DEID	
C[C@@H](NC(=O)[C@H](O)c1ccccc1)c1ccc2c(c1)CCC(=O)N2	159863346	XGXCRWPVWZXYTP-KZULUSFZSA-N	324.380	2.482	70	20	DEID	
CC(C)(C)c1nsc(N2CCN(Cc3ccon3)CC2)n1	159680320	LCENKCZUECMAJY-UHFFFAOYSA-N	307.423	2.146	70	20	DEID	
CC(C)OC(=O)CCCNC(=O)NCC(C)(C)c1ccncc1	159894843	MTCZYRLFRPXQIK-UHFFFAOYSA-N	321.421	2.390	70	20	DEID	
CCNC(=O)C(C)(C)CNC(=O)Nc1ccnc(C)c1Cl	159537766	OSMQVWPCMBMGHW-UHFFFAOYSA-N	312.801	2.327	70	20	DEID	
Cc1nn(-c2ccccc2)cc1CN1CCC(CC(N)=O)CC1	159733877	KSZOUFROGOPEQT-UHFFFAOYSA-N	312.417	2.268	70	20	DEID	
CC[C@H](C)OCC(=O)Nc1ccc(NS(=O)(=O)CC)cc1	159398786	UXDCUKZOPBZFEO-NSHDSACASA-N	314.407	2.202	70	20	DEID	
CCN(CC)c1ccc(CNC(=O)[C@H](O)c2ccccc2)cn1	159787499	ZXPUKVXCMPVXGF-QGZVFWFLSA-N	313.401	2.278	70	20	DEID	
Cn1nccc1CNCC1CCN(C(=O)OC(C)(C)C)CC1	218213689	CZFBSOPGDQMMCA-UHFFFAOYSA-N	308.426	2.157	70	20	DEID	
CC1CCN(S(=O)(=O)Nc2ccc(Cl)cc2O)CC1	160404528	ASBFRYDUBAEQHQ-UHFFFAOYSA-N	304.799	2.434	70	20	DEID	
CCCN(Cc1c(F)cccc1F)[C@@H]1CCS(=O)(=O)C1	161116361	FAYNNJVYXWVOET-LLVKDONJSA-N	303.374	2.364	70	20	DEID	
CC(C)(CCC(=O)Nc1cccc(S(=O)(=O)F)c1)[N+](=O)[O-]	297964700	GZNNIKDZMBTVMC-UHFFFAOYSA-N	318.326	2.119	70	20	DEID	
COCC1(CC(=O)Nc2ccc(C)c(S(=O)(=O)F)c2)CC1	857673650	HBUMOUOKTOWITQ-UHFFFAOYSA-N	315.366	2.408	70	20	DEID	
CCC[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CCC1	1123830036	QWKPTAJAZNMIPP-NSHDSACASA-N	302.371	2.372	70	20	DEID	
CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)c1ccc2cc[nH]c2c1	1338818941	XJNAZVKOYVZHAH-UHFFFAOYSA-N	321.333	2.431	70	20	DEID	
C/C(=C/c1ccccc1)CN1CCN(C(=O)[C@H]2CCCO2)CC1	161007130	MHTUYFJWOROIMQ-HRYDCMBCSA-N	314.429	2.413	70	20	DEID	
CSc1ccc(NC(=O)C(=O)N[C@H](C)C2CCOCC2)cc1	161045490	UAEHRPBKSCKDJF-LLVKDONJSA-N	322.430	2.278	70	20	DEID	
O=C(N1CCN(Cc2ccccc2Cl)CC1)C1(O)CCCC1	161312435	LLLIVWKIFVTWFL-UHFFFAOYSA-N	322.836	2.289	70	20	DEID	
CCN1CCCN(C(=O)NC[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)CC1	160011148	QPZSTWDPWIUDHL-KURKYZTESA-N	313.445	2.310	70	20	DEID	
COCCOc1ccccc1NC(=O)N1CCC[C@](C)(O)C1	160194747	IYOYYYKPPSLXFW-INIZCTEOSA-N	308.378	2.091	70	20	DEID	
Cc1noc(CCC(=O)N[C@@H]2CCOC3(CCCCC3)C2)n1	160298545	HMKANIOVOSPMMH-CYBMUJFWSA-N	307.394	2.309	70	20	DEID	
C[C@]1(NC(=O)Nc2cccc(Cn3cccn3)c2)CCOC1	160569771	HUZFDVIEXDOOFE-INIZCTEOSA-N	300.362	2.232	70	20	DEID	
C[C@H](NCC(=O)NCC(F)(F)F)c1ccc(F)cc1N(C)C	160600059	WABPXLPCUPQZKR-VIFPVBQESA-N	321.318	2.221	70	20	DEID	
CCOc1ccccc1CCNC(=O)N(C)C[C@@H]1CCC[C@@H]1O	160624374	QLPSBMIEPDBYJL-HOTGVXAUSA-N	320.433	2.430	70	20	DEID	
CC(C)[C@@H](CCO)NC(=O)CCCc1nc(C(C)(C)C)no1	160701425	SVRWYDPWVFSLFY-GFCCVEGCSA-N	311.426	2.213	70	20	DEID	
Cc1[nH]c(C(=O)N[C@@H](CCO)C(C)C)c(C)c1C(=O)OC(C)C	160776643	XOBLENYLUKBCLI-ZDUSSCGKSA-N	324.421	2.334	70	20	DEID	
CC(C)CCn1ccc(NC(=O)c2cnc3c(c2)ncn3C)n1	160860154	TVUKOUBSWGYROT-UHFFFAOYSA-N	312.377	2.463	70	20	DEID	
C[C@H](C(=O)NCc1ccccc1Cl)N(C)C[C@H](O)C1CC1	160865128	ZPTJAYLBHRRMMO-ABAIWWIYSA-N	310.825	2.047	70	20	DEID	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCC(C)(C)N1CCOCC1	159490636	FNNGDLFEXSIBNJ-KGLIPLIRSA-N	322.474	2.387	70	20	DEID	
COc1ccc(N(C)C(=O)[C@H](C)OC[C@H]2CCCO2)cc1F	159707979	DOBNASUVPRFXQZ-WCQYABFASA-N	311.353	2.381	70	20	DEID	
O=C(c1ccc(Cl)cc1O)N1CCS[C@H]2COCC[C@H]21	161033507	BJZZOEQDHWYWHX-YPMHNXCESA-N	313.806	2.392	70	20	DEID	
C[C@@H]1CN(C(C)(C)CNC(=O)[C@H]2CC2(Cl)Cl)C[C@@H](C)O1	218517150	PICPNIMUMOEBEQ-GMTAPVOTSA-N	323.264	2.184	70	20	DEID	
O=S(=O)(F)c1ccc(NC[C@@H]2C[C@@H]3CCC[C@H]3O2)nc1	1550640465	CHDLWMXCEODKJF-JBLDHEPKSA-N	300.355	2.109	70	20	DEID	
COCC(C)(C)c1nc(CC(=O)Nc2ccc(C)cc2)no1	161333352	ZKEFNTABDAVXMB-UHFFFAOYSA-N	303.362	2.483	70	20	DEID	
Cc1conc1NC(=O)C(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1	161364693	KCZFPYJHODPYLV-NWDGAFQWSA-N	319.748	2.247	70	20	DEID	
Cc1conc1NC(=O)C(=O)N[C@H]1CCSc2ccccc21	160013148	LAVDSOXRVZUFMH-NSHDSACASA-N	317.370	2.275	70	20	DEID	
Cc1cccc([C@@H]2CCCN2CC(=O)N2C[C@H](C)O[C@H](C)C2)n1	160098459	VSJQBYSDUYQFOU-UXLLHSPISA-N	317.433	2.163	70	20	DEID	
Cc1c(CNC(=O)NCCO[C@@H]2CCCC[C@@H]2C)cnn1C	160285241	OVKSFRMDOUNQKK-SWLSCSKDSA-N	308.426	2.123	70	20	DEID	
CCN(C(=O)C1CCC(C)(C)CC1)[C@@H](C)CS(C)(=O)=O	160345958	XCMHQNTZWKCCJY-LBPRGKRZSA-N	303.468	2.484	70	20	DEID	
Cc1noc(CNC(=O)Nc2ccc(OCC(C)C)nc2)n1	160445048	NTWKGZTUFGXXBF-UHFFFAOYSA-N	305.338	2.130	70	20	DEID	
CNC(=O)CCNC(=O)Nc1ccc(COC2CCCC2)cc1	160516242	NSQHJGSDSKCJED-UHFFFAOYSA-N	319.405	2.403	70	20	DEID	
CN1CCC[C@H]2CN(C(=O)N[C@@H]3CCO[C@H](C4CC4)C3)CC[C@@H]21	160587759	WLRVPHOIIDLYEF-YVSFHVDLSA-N	321.465	2.070	70	20	DEID	
CC(C)CC(=O)NCCC(=O)NCCO[C@H]1CCCC[C@H]1C	160646143	RFSICQUOPICURJ-CABCVRRESA-N	312.454	2.250	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)c1cc2c(C)nn(C)c2s1	160863334	BJRMIEVNEHYOHK-QMMMGPOBSA-N	309.391	2.015	70	20	DEID	
CCc1nn(C)c(Cl)c1C(=O)Nc1ccc(=O)n(CC)c1	160989083	HPGNKPCYBRMSPI-UHFFFAOYSA-N	308.769	2.070	70	20	DEID	
CCCC1(CNC(=O)NCCNC(=O)c2ccco2)CCC1	159917101	MHGCQIHYQZLVOG-UHFFFAOYSA-N	307.394	2.279	70	20	DEID	
CCc1nnc(S[C@H]2CCCN(CC(F)(F)F)C2=O)[nH]1	159528201	LVMACSPYRXUPKH-ZETCQYMHSA-N	308.329	2.013	70	20	DEID	
COCCN(CCOC)c1cc(COC)nc(C(C)(C)C)n1	159727399	VGXFLELLIIFYHZ-UHFFFAOYSA-N	311.426	2.020	70	20	DEID	
COCCOCC(=O)N[C@@H](c1cccc(C)c1)c1ccccn1	159730953	NQICTXSXQZGOEO-SFHVURJKSA-N	314.385	2.259	70	20	DEID	
CC(=O)N1CC[C@H](NC(=O)[C@@H](C)CSc2ccccc2)C1	159741357	VSPKHYBTKLHIHG-JSGCOSHPSA-N	306.431	2.152	70	20	DEID	
CCCN(CC)CCNC(=O)NCc1ccnc(OC(C)C)c1	159960132	WVIGDABBZMVARU-UHFFFAOYSA-N	322.453	2.400	70	20	DEID	
C[C@H](C(=O)N1CCC(NCC2CC2)CC1)[C@@H](N)c1ccccc1	159788009	BVLIVLQJSOLORY-KBXCAEBGSA-N	315.461	2.313	70	20	DEID	
CN([C@H](CN)C1CC1)S(=O)(=O)c1cccc(Cl)c1Cl	159944528	GAEGKFSTCQWMCI-SNVBAGLBSA-N	323.245	2.351	70	20	DEID	
O=C(Cc1ccccc1Br)NC[C@@H]1CCCNC1	217268399	FVWSSZJIPZYZMB-LLVKDONJSA-N	311.223	2.107	70	20	DEID	
C[C@@H](CNC[C@H](O)COc1ccc(Cl)cc1)N(C)C1CC1	218561153	SUDFFJFQWKECND-WFASDCNBSA-N	312.841	2.152	70	20	DEID	
O=C([C@@H]1C[C@@H]1c1ccc(Br)cc1)N1CCOCC1	217806267	PVYODCWWKWZHDP-CHWSQXEVSA-N	310.191	2.411	70	20	DEID	
COc1ccccc1CNC(=O)NCCc1ccc(O)cc1	217313856	VBXYEJBHALNLJT-UHFFFAOYSA-N	300.358	2.443	70	20	DEID	
O=C(c1ccc(Br)cc1)N1CCc2ncncc2C1	218063747	NRKZQDBWAHLBNF-UHFFFAOYSA-N	318.174	2.438	70	20	DEID	
CC1(OCC(=O)Nc2cccc(S(=O)(=O)F)c2)CCC1	809281168	IVAXOPFTSKYAAG-UHFFFAOYSA-N	301.339	2.243	70	20	DEID	
CC[C@@H](C)[C@H](CNC(=O)c1cccc(S(=O)(=O)F)c1)OC	1338817494	OZYXJBGCUSAYCQ-MFKMUULPSA-N	317.382	2.136	70	20	DEID	
O=S(=O)(F)c1ccc(NC[C@H]2CCC23CCOCC3)nc1	1550639843	VMVNPVCKYVGJBC-LLVKDONJSA-N	314.382	2.359	70	20	DEID	
CCOc1ccc(C(=O)CCC(=O)N[C@@H]2CCC[C@@H](N)C2)cc1	161174203	RGUFFCYMIWZSBJ-HUUCEWRRSA-N	318.417	2.434	70	20	DEID	
CC(C)c1cc(CNC(=O)N2CCN(C)C[C@@H]2C(C)C)on1	160000385	VUDYDGJTDMZBOY-OAHLLOKOSA-N	308.426	2.280	70	20	DEID	
Cc1noc(C)c1CNC(=O)c1ccnc(OCC(F)F)c1	160019951	IASVJXLIDFJTCZ-UHFFFAOYSA-N	311.288	2.260	70	20	DEID	
COC1CCC(N(C)C(=O)NCCCC(=O)OC(C)C)CC1	160053167	WFCJPHKJYVYMEC-UHFFFAOYSA-N	314.426	2.317	70	20	DEID	
COc1cc(Cl)c(C(=O)N[C@H](CO)CC(C)C)cc1OC	160710601	KYXVQHCGBQKSBA-JTQLQIEISA-N	315.797	2.494	70	20	DEID	
CC(C)(C)C(=O)N1CCC[C@@H](C(=O)Nc2cccc(F)n2)C1	160939301	KTEWIPCEZPBZOK-LLVKDONJSA-N	307.369	2.444	70	20	DEID	
CC[C@H](O)CCNC(=O)NCc1ccc(OC2CCCC2)nc1	160961550	WOXCWMCOWTWWIA-AWEZNQCLSA-N	321.421	2.363	70	20	DEID	
COCc1ccccc1NC(=O)C(=O)N1CCC2(CCC2)C1	159400418	ZHNUCHQGXKOXKM-UHFFFAOYSA-N	302.374	2.174	70	20	DEID	
C[C@H](CC(=O)Nc1cnn(CC(F)(F)F)c1)C1CCNCC1	159701164	VYTDDHACODOLMQ-SNVBAGLBSA-N	318.343	2.410	70	20	DEID	
O=S(=O)(Cc1cccc(F)c1)NC[C@H](O)C1CCCCC1	159585635	DVDPGXYLONQVGE-HNNXBMFYSA-N	315.410	2.186	70	20	DEID	
CC(C)OCCC(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	857674819	RMEFJTZEJUWXRG-UHFFFAOYSA-N	307.318	2.238	70	20	DEID	
O=[N+]([O-])c1ccc(N2CC[C@@H]3C[C@@H]3C2)c(CS(=O)(=O)F)c1	882627081	FFMOZBYMNWGGDA-NXEZZACHSA-N	314.338	2.240	70	20	DEID	
O=C(N[C@H]1C[C@H]1C1CCCCC1)c1cc(S(=O)(=O)F)c[nH]1	1340081886	ILGKTWJAKCBMJQ-RYUDHWBXSA-N	314.382	2.372	70	20	DEID	
Cc1nc(CN2CCN(CCCN3CCCCC3)CC2)oc1C	161339739	XXGWSFPMJDLNIY-UHFFFAOYSA-N	320.481	2.285	70	20	DEID	
COc1ccccc1N1CC[C@@H](NC(=O)C2(C)CCC2)C1=O	161345479	CFHDXWMTLFRKFC-GFCCVEGCSA-N	302.374	2.107	70	20	DEID	
CC(=O)c1ccc(C(=O)N[C@@H]2CCN(c3ccccn3)C2)cc1	161373252	FMLFXBYSOUPZNQ-MRXNPFEDSA-N	309.369	2.293	70	20	DEID	
COC(=O)c1cccc(NC(=O)N2CCC[C@@H]2C[C@@H](C)O)c1	160018569	NHMUNROWSFJGRY-BXUZGUMPSA-N	306.362	2.240	70	20	DEID	
CCCCn1ncc(NC(=O)NC[C@@](C)(O)CSC)c1C	160028590	RJBYIARKXLRDMO-CQSZACIVSA-N	314.455	2.227	70	20	DEID	
O=C(NCCn1cccc1)C(=O)Nc1ccc(Cl)c(F)c1	160147087	JZYSDXOAGPXTBB-UHFFFAOYSA-N	309.728	2.036	70	20	DEID	
COCCOc1ccccc1NC(=O)N1CCC[C@@](C)(O)C1	160194873	IYOYYYKPPSLXFW-MRXNPFEDSA-N	308.378	2.091	70	20	DEID	
O=C(Nc1cccc(-n2ccnc2)c1)[C@H]1CCn2ccnc2C1	160347036	WCASDGWQPXVSCF-ZDUSSCGKSA-N	307.357	2.270	70	20	DEID	
C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N(C)[C@H](C)CO	160368121	ZAUDIBARCBMWOG-ZJUUUORDSA-N	305.296	2.312	70	20	DEID	
Cc1ccccc1[C@@H]1CN(C(=O)C[C@@H]2CCCN2)[C@@H](C)CO1	160412131	BHFVUOIMSVIVEY-ZOBUZTSGSA-N	302.418	2.426	70	20	DEID	
O=C(Nc1ccn(CC(F)(F)F)n1)N(CCCCO)C1CC1	160677332	PJOLZWGEFAQGIL-UHFFFAOYSA-N	320.315	2.214	70	20	DEID	
COC[C@@H]1CCCN(C(=O)N[C@@H]2CCN(C3CCCC3)C2)C1	160828195	PGYWILBDDALKGU-HUUCEWRRSA-N	309.454	2.071	70	20	DEID	
COC1(C(=O)N2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)CCNCC1	159805205	PZNILBWFDLAENB-ZFWWWQNUSA-N	320.408	2.299	70	20	DEID	
CCN1CCCN(C(=O)NCCCCN2CCCC[C@@H]2C)CC1	159638801	GQECAVPJCQALON-KRWDZBQOSA-N	324.513	2.378	70	20	DEID	
C[C@H](NC(=O)/C=C/c1ccc(Cl)nc1)C(=O)NC(C)(C)C	159858440	AZANAWCKZAJUNQ-PCGIRMHASA-N	309.797	2.168	70	20	DEID	
CCN(CCNC[C@H](O)COc1ccccc1Cl)C1CC1	218430277	HQQODSKJUJPTLJ-AWEZNQCLSA-N	312.841	2.154	70	20	DEID	
Cn1ncc(C(=O)Nc2ccc(S(=O)(=O)F)cc2)c1C1CC1	274990181	RHEJHPZZIIQGFD-UHFFFAOYSA-N	323.349	2.208	70	20	DEID	
CC(C)COC(=O)N1CCN(C(=O)Nc2cccnc2)CC1	160027580	LPNRQRBWMPJTIJ-UHFFFAOYSA-N	306.366	2.024	70	20	DEID	
CCC(CC)c1cc(C(=O)NCCCCN2CCOCC2)on1	160677173	PQMDLVJYGRBDRV-UHFFFAOYSA-N	323.437	2.420	70	20	DEID	
O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)N1CCC[C@H]1CO	160894155	RCIIPSXXBVVXOQ-PMPSAXMXSA-N	304.390	2.073	70	20	DEID	
CCS(=O)(=O)C[C@H](C)N(C)c1nc(C(C)(C)C)ns1	159464360	YDOUAUDNBZDPNL-VIFPVBQESA-N	305.469	2.095	70	20	DEID	
CC(C)(C)[C@H](O)CNC(=O)C1(c2ccc(F)cc2)CCOCC1	159635110	YGYKWAGQSPLKFC-OAHLLOKOSA-N	323.408	2.397	70	20	DEID	
CCCCN(C)CCNC(=O)NC[C@@H](C)c1c(C)noc1C	159836803	GUEULERFOHTUDB-GFCCVEGCSA-N	310.442	2.426	70	20	DEID	
O=C(Nc1cccn(CC(F)(F)F)c1=O)[C@H]1C[C@@H]1C1CC1	159506101	ADSCGEOLJKORBP-ZJUUUORDSA-N	300.280	2.395	70	20	DEID	
COc1cccc(COCCNC(=O)c2ccccc2O)c1	159962885	SDNFANUWLHZZQO-UHFFFAOYSA-N	301.342	2.347	70	20	DEID	
CC(=O)c1ccc(OS(=O)(=O)F)c(CN2CCCC2)c1	1887579208	FOCQBVWGSIVACD-UHFFFAOYSA-N	301.339	2.078	70	20	DEID	
CC(C)(CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CCC1	1121095863	WQQFFKPVQDGEFX-UHFFFAOYSA-N	302.371	2.229	70	20	DEID	
O=C(Nc1cnc2ccccn12)c1cccc(S(=O)(=O)F)c1	1338819477	LHWIOXLOSDVENY-UHFFFAOYSA-N	319.317	2.245	70	20	DEID	
CC(C)C[C@@H](C)NC(=O)Cc1ccc(S(=O)(=O)F)cc1	1338887410	FFEKESWDEHTBEV-LLVKDONJSA-N	301.383	2.438	70	20	DEID	
O=C(CCc1ccc(S(=O)(=O)F)cc1)NCC1CC=CC1	1339085537	LMNYRRMSDJGKHO-UHFFFAOYSA-N	311.378	2.360	70	20	DEID	
Cc1ccc(NC(=O)C(=O)N[C@H](C)C2CCOCC2)c(C)c1	161049514	WIHQGDJXTMCREN-CYBMUJFWSA-N	304.390	2.173	70	20	DEID	
Cc1ccc([C@@H](C)N(C)C(=O)N[C@H]2CCc3ncnn3C2)cc1	161039260	BOAUPOBQBANCML-HIFRSBDPSA-N	313.405	2.304	70	20	DEID	
CC(C)N(C)CC(=O)N1CCN(Cc2ccccc2Cl)CC1	161322787	YEJKRRMANHIYGH-UHFFFAOYSA-N	323.868	2.324	70	20	DEID	
Cn1nccc1CN1C(=O)N[C@@](C)(c2cccc(Cl)c2)C1=O	161341237	YBEXUVKTXOOSGP-HNNXBMFYSA-N	318.764	2.041	70	20	DEID	
C[C@H](CSCc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O	161450648	YCNHIXDSNLSOSI-OCCSQVGLSA-N	306.431	2.032	70	20	DEID	
CCc1cccc(NC(=O)CSCCN2CCOCC2)c1	160041711	QTWQPBAZCZYTHU-UHFFFAOYSA-N	308.447	2.253	70	20	DEID	
CN(C(=O)[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)C1CC1	160086724	AAHGYDBIJBXABP-VIFPVBQESA-N	310.756	2.453	70	20	DEID	
CC[C@@](C)(O)CNC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1	160137285	RSFGZEUOVVULDR-GDBMZVCRSA-N	308.378	2.137	70	20	DEID	
CC(C)NC(=O)c1ccc(C(=O)N(CCCCO)C2CC2)cc1	160172243	SGIFWXFKXXNLME-UHFFFAOYSA-N	318.417	2.202	70	20	DEID	
O=C(N[C@@H]1CCO[C@H](C2CC2)C1)N1CC[C@H](CN2CCCC2)C1	160250027	SYPAVROXHCKDTI-OIISXLGYSA-N	321.465	2.071	70	20	DEID	
COCc1nc(C(=O)Nc2nnc(-c3ccc(C)o3)[nH]2)cs1	160263187	QMNNXMRSROECEE-UHFFFAOYSA-N	319.346	2.228	70	20	DEID	
O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)N[C@@H]1CCCC[C@@H]1O	160271704	FAZAURKIGYNFDI-OAGGEKHMSA-N	320.389	2.279	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)c1cn(-c2ccccc2)nc1C	160522341	KFLNZBRPFRKBIZ-LBPRGKRZSA-N	315.373	2.252	70	20	DEID	
O=C(NCCCn1ccc2ccccc21)N1CC[C@H](CO)C1	160841133	RZCGKSQJLXNCCJ-AWEZNQCLSA-N	301.390	2.055	70	20	DEID	
CO[C@H](C)c1nc(C)c(C(=O)N2C[C@@H]3CCC[C@H](C2)N3)s1	159609235	SIRPJYUTZDUZGD-UTUOFQBUSA-N	309.435	2.125	70	20	DEID	
CCc1cc(NC(=O)NC[C@@](C)(O)c2cccs2)n(C)n1	159494875	VZJLPNOCKLWVJJ-CQSZACIVSA-N	308.407	2.073	70	20	DEID	
CCN(CC1CC1)C(=O)c1cc(N2CCNC2=O)ccc1F	159914257	CPOMMIIZJNYDPG-UHFFFAOYSA-N	305.353	2.227	70	20	DEID	
C[C@H](CN1CCCCC1)NCc1ccc(S(C)(=O)=O)cc1	159738735	PCRJKYOXRNMBAC-CQSZACIVSA-N	310.463	2.054	70	20	DEID	
CN(C1CCCCC1)S(=O)(=O)NC[C@@H](O)C1CCCCC1	159560869	OMPGQEYVDSDVOZ-OAHLLOKOSA-N	318.483	2.027	70	20	DEID	
COc1ccc(N(C)C(=O)c2c(C)nn3cccnc23)cc1F	159773800	UYDFWHUTEPNOLD-UHFFFAOYSA-N	314.320	2.462	70	20	DEID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)c1cncnc1C1CC1	864237901	BREJDTIWBNCDFI-UHFFFAOYSA-N	321.333	2.265	70	20	DEID	
C[C@H]1C[C@H](NC(=O)c2cccc(S(=O)(=O)F)c2)C[C@@H](C)O1	1120943869	ALODRCMHQCCRMK-PEGIJTEDSA-N	315.366	2.031	70	20	DEID	
CC(C)SCCNC(=O)c1ccc(S(=O)(=O)F)cc1	890920866	YQBSZUHDWZCKNN-UHFFFAOYSA-N	305.396	2.216	70	20	DEID	
O=S(=O)(F)c1ccc(N[C@@H]2CC[C@H]3CC[C@H]2OC3)nc1	1551209251	WXFGHIXSJWSFNK-MVWJERBFSA-N	300.355	2.109	70	20	DEID	
CNC(=O)COc1cccc(CC(=O)N[C@H]2CCC[C@H](C)C2)c1	161052789	XNCHJPDNSYTECY-ZFWWWQNUSA-N	318.417	2.049	70	20	DEID	
CS[C@@H]1CCC[C@H](NC(=O)[C@@H]2Cc3ccccc3CN2)C1	161122509	DMKHZGKFGUTJFQ-XHSDSOJGSA-N	304.459	2.491	70	20	DEID	
COC(=O)c1coc(CN2CCC([C@@H](O)C(F)(F)F)CC2)c1	161275063	UQYPJGUGFYFNQH-GFCCVEGCSA-N	321.295	2.201	70	20	DEID	
C[C@@H](C(=O)NCCc1cn2ccccc2n1)C1CCOCC1	161436637	MDQBFRGIWCIMRZ-CYBMUJFWSA-N	301.390	2.056	70	20	DEID	
CCC(CC)n1ncc(C(=O)NCCc2cnn(C)c2)c1C	160030916	YTBCIUOFMRGDCP-UHFFFAOYSA-N	303.410	2.259	70	20	DEID	
O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)N1CCSCC1	160281028	NJAXDDIDKTUBMS-CQSZACIVSA-N	308.403	2.435	70	20	DEID	
CCCNC(=O)Nc1ccc(CC(=O)Nc2nncs2)cc1	160583387	JIJLMFVYBYVAEW-UHFFFAOYSA-N	319.390	2.251	70	20	DEID	
O=C(CN[C@@H]1CSCCc2ccccc21)NCC(F)(F)F	160604661	JZTDMFPKOUFPMV-GFCCVEGCSA-N	318.364	2.285	70	20	DEID	
C[C@]1(CNC(=O)NCCc2cn3c(n2)CCCC3)CCCS1	160736011	IPFKUVNLMCPNJB-MRXNPFEDSA-N	322.478	2.347	70	20	DEID	
Cc1noc(-c2ccccc2C(=O)N[C@H]2CCC[C@@H](N)C2)n1	160832005	KQMQDKNDPQNROM-NEPJUHHUSA-N	300.362	2.045	70	20	DEID	
COC[C@H](O)CCNC(=O)c1ccc(OC2CCCC2)cc1	160901110	DXULEGVOTASXSL-CQSZACIVSA-N	307.390	2.135	70	20	DEID	
COC[C@H](NC(=O)Nc1cc(F)c(OC)cc1OC)C1CC1	160903511	LLAMKCOKCOIQLZ-LBPRGKRZSA-N	312.341	2.389	70	20	DEID	
CC[C@@H]1CCC[C@@H]1NC(=O)CCNC(=O)OCC(F)(F)F	159634581	GHEOYUQGIKNAGS-ZJUUUORDSA-N	310.316	2.360	70	20	DEID	
COC(=O)CCCC(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1	159441874	WPQWXFQIMOWANE-LSDHHAIUSA-N	305.374	2.366	70	20	DEID	
CC(C)C[C@@H](C)Oc1cc(CNC(=O)N[C@@H](C)CCO)ccn1	159575977	NLDFOVWWMRIWJA-UONOGXRCSA-N	323.437	2.465	70	20	DEID	
CC(C)N1C[C@H](NC(=O)NCCc2ccc(Cl)cc2)CC1=O	217289253	XCJDKOYONGFVSA-CQSZACIVSA-N	323.824	2.191	70	20	DEID	
COc1cccc(CCNC(=O)NCCc2ccc(O)cc2)c1	217417862	HFPJGFZCPOZQCD-UHFFFAOYSA-N	314.385	2.485	70	20	DEID	
Cc1ccc(NC(=O)[C@H]2CCO[C@@H]2C)cc1S(=O)(=O)F	857675664	WVCUXMBAWQSFBW-KOLCDFICSA-N	301.339	2.017	70	20	DEID	
CSC1(CNC(=O)c2cccc(S(=O)(=O)F)c2)CCC1	1349547153	RUWJGRROZZWHLN-UHFFFAOYSA-N	317.407	2.360	70	20	DEID	
CC[C@H](Cc1cccc(Br)c1)C(=O)N1CC(O)C1	161498047	RYOXZZIJGLNHBS-LLVKDONJSA-N	312.207	2.221	70	20	DEID	
CCO[C@@H]1CCC[C@H]1NC(=O)c1cccc(S(=O)(=O)F)c1	1460855538	MIWMUJMVUYBSEQ-CHWSQXEVSA-N	315.366	2.032	70	20	DEID	
Cn1cc(NC(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)cn1	161358480	UHXAFDMKGYCRFV-UKRRQHHQSA-N	300.362	2.462	70	20	DEID	
C[C@H]1CCN(C(=O)C[C@@H]2CNCCO2)[C@H]1c1cccc(F)c1	161486974	MHUPYMONMCGRNY-XGWLTEMNSA-N	306.381	2.114	70	20	DEID	
CNC(=O)[C@@H](C)NC(=O)c1ccc(CCC(F)(F)F)cc1	160032772	FVEYJPGXFNZXHX-SECBINFHSA-N	302.296	2.046	70	20	DEID	
CCNC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2c2sccc2C)CC1	160095133	ACBWQKAZJUCTDF-QWHCGFSZSA-N	321.446	2.034	70	20	DEID	
O=C(CC1=CCCCC1)N[C@H]1CCN(C(=O)c2ccccn2)C1	160150725	UWXPZVKBPIUWEF-HNNXBMFYSA-N	313.401	2.303	70	20	DEID	
CN(C(=O)c1cc(-n2cccn2)ccn1)c1ccc2c(c1)OCO2	160209236	RZKOFJFIESUDBB-UHFFFAOYSA-N	322.324	2.273	70	20	DEID	
C[C@H](CC(=O)NC[C@@H](O)CN1CCCCC1)c1ccccc1F	160213103	SJMGDHMGUWFJHK-HUUCEWRRSA-N	322.424	2.282	70	20	DEID	
CCCCOc1ccc(/C=C/C(=O)N2CC[C@@H](N)C2)cc1OC	160270139	LSWTZRSLSJBOLB-PMGBHYCQSA-N	318.417	2.447	70	20	DEID	
CCc1nc(CN[C@H](C)c2cccc(N3CCCC3=O)c2)n[nH]1	160389723	SHEYHLIWBCDFFC-GFCCVEGCSA-N	313.405	2.345	70	20	DEID	
O=C1CC[C@@H]2CN(C(=O)Nc3ccc(Cl)cc3)CC[C@H]2N1	160699745	QRVGUEQWAFDVGR-ZWNOBZJWSA-N	307.781	2.472	70	20	DEID	
CCCCn1ncc(C(=O)NC2(C(=O)OC)CCCC2)c1C	160725756	XXFIHHSZQRIMCG-UHFFFAOYSA-N	307.394	2.207	70	20	DEID	
COc1ccc(NC(=O)c2cccc(=O)n2C)c2cccnc12	160967131	MFYJBUUOSWZCCS-UHFFFAOYSA-N	309.325	2.194	70	20	DEID	
Cc1nn(C)c(C)c1CC(=O)N[C@@H]1CCOC2(CCCC2)C1	159411554	RJXTYYZENQMXTI-CQSZACIVSA-N	305.422	2.187	70	20	DEID	
CN(C)Cc1ccc(C(=O)N2CCN(C3CCCC3)CC2)cc1	159826195	QLERZKMMKXTFRM-UHFFFAOYSA-N	315.461	2.449	70	20	DEID	
CN(C)c1ccc(NC(=O)C(=O)N2CCC3(CCC3)C2)cc1	159470136	KEUWWSHSYXCZDU-UHFFFAOYSA-N	301.390	2.094	70	20	DEID	
CCOC(=O)CN(C)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1C	159484391	JCOCMAMGDDCXPX-KBPBESRZSA-N	306.406	2.056	70	20	DEID	
CCOCCC1(CNC(=O)NCc2cccnc2OC)CCC1	159560666	VEZKFGZMUOUEJT-UHFFFAOYSA-N	321.421	2.486	70	20	DEID	
O=C(CCn1cnc2sccc2c1=O)NCC1(C2CC2)CC1	159764053	MMCFTEOHISLGPD-UHFFFAOYSA-N	317.414	2.155	70	20	DEID	
CCN(Cc1ccc(F)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1	160547124	RIOHWEIUNTYKQM-LLVKDONJSA-N	305.802	2.488	70	20	DEID	
CSC[C@](C)(O)CNC(=O)CCc1nc2ccccc2s1	217716437	KIGMZGPCWUNHFO-OAHLLOKOSA-N	324.471	2.459	70	20	DEID	
CC(C)n1cc(NC(=O)c2ccc(S(=O)(=O)F)cc2)cn1	864244127	LXUKWVCMEVQUEN-UHFFFAOYSA-N	311.338	2.375	70	20	DEID	
CC[C@H](C)CCNC(=O)Cc1ccc(S(=O)(=O)F)cc1	1338214273	JOMSGBBHOBNELF-NSHDSACASA-N	301.383	2.440	70	20	DEID	
O=C(OCC[C@@H]1CCCO1)c1cccc(S(=O)(=O)F)c1	1333518508	DDLBMFVEPWABNM-NSHDSACASA-N	302.323	2.071	70	20	DEID	
CCNC(=O)NC(=O)[C@H](C)N[C@@H](CC)c1ccc(F)cc1F	161008745	GSRHXLVGQSSBQU-ZANVPECISA-N	313.348	2.240	70	20	DEID	
COC[C@@H](O)CCNC(=O)Nc1ccc(CCSC)cc1	161058347	NGFFXRJKMOFHGJ-AWEZNQCLSA-N	312.435	2.111	70	20	DEID	
O=C(NCCc1nnc2n1CCCC2)Nc1cc(F)cc(F)c1	161090147	PJEHDYMXLIQNCI-UHFFFAOYSA-N	321.331	2.257	70	20	DEID	
COc1ccc(-c2nc(CNC(=O)NC3(C)CCC3)n[nH]2)cc1	161477198	HCKDLTVFNFEGQJ-UHFFFAOYSA-N	315.377	2.222	70	20	DEID	
Cc1cccc([C@@H](NC(=O)[C@H]2CCNC(=O)C2)c2ccccn2)c1	160116296	HNKAWTCPIYTHII-MAUKXSAKSA-N	323.396	2.122	70	20	DEID	
Cc1[nH]nc2ncc(C(=O)N(C)c3ccc4c(c3)OCO4)cc12	160198294	KNJTXFWZXIXUSP-UHFFFAOYSA-N	310.313	2.272	70	20	DEID	
O=C(NCc1cccc(-c2ccccn2)c1)N1CC[C@@H](CO)C1	160297597	YEYAAOMGNGDXBO-OAHLLOKOSA-N	311.385	2.272	70	20	DEID	
Cc1cccc(C(=O)N2CC[C@H]3NC(=O)CC[C@H]3C2)c1Cl	160385850	PAWQIMXJQXVBBT-WCQYABFASA-N	306.793	2.389	70	20	DEID	
CCCCn1ncc(C(=O)NCc2ccc(OC)nc2)c1C	160646797	ZMDLEOYAQTYCOH-UHFFFAOYSA-N	302.378	2.325	70	20	DEID	
CCO[C@H](CCNC(=O)c1cnc2c(c1)ncn2C)C(C)C	160679543	XHMZWDUWLLJJDA-CQSZACIVSA-N	304.394	2.149	70	20	DEID	
COc1cc(CC(=O)Nc2cccc(F)n2)cc(OC)c1OC	160918631	NMEUJNQVCCYLMO-UHFFFAOYSA-N	320.320	2.428	70	20	DEID	
CCOC(=O)C1(C(=O)NC[C@@H](OC)c2ccc(F)cc2)CCC1	159413948	CPEVQDABGNFKPY-CQSZACIVSA-N	323.364	2.363	70	20	DEID	
CC(C)n1cc([C@@H](C)N[C@H](C(N)=O)c2ccc(F)cc2)cn1	159847275	FHIXOHLNPBQOTE-ABAIWWIYSA-N	304.369	2.480	70	20	DEID	
CC(C)OC1CCC(NS(=O)(=O)CC2CCOCC2)CC1	159367130	DPBUIRQVKRFKLF-UHFFFAOYSA-N	319.467	2.069	70	20	DEID	
CCCNC(=O)Nc1ccc(CC(=O)N2CCOC[C@H]2C)cc1	159979199	DLWYFVBDURJSBN-CYBMUJFWSA-N	319.405	2.008	70	20	DEID	
CC(C)C[C@@H](CO)NC(=O)Cc1cccc(OC(F)F)c1	161243452	DBNNZNREYJACIT-LBPRGKRZSA-N	301.333	2.354	70	20	DEID	
C[C@H]1Sc2ccccc2N(CCCN2C(=O)CNC2=O)[C@@H]1C	161260486	HJSOKROTJDVKDU-VXGBXAGGSA-N	319.430	2.318	70	20	DEID	
CC[C@H](C)OCC(=O)Nc1cccc(NC(=O)[C@@H](C)OC)c1	161381071	RMUGAEKCMLSVOE-NWDGAFQWSA-N	308.378	2.414	70	20	DEID	
CCCN(C(=O)[C@H]1CCCO1)[C@@H](C)C(=O)Nc1ccccc1	161459538	RGXCBAJIQGSAEL-DZGCQCFKSA-N	304.390	2.431	70	20	DEID	
CCc1ccc([C@@H](CO)NC(=O)NCC2(CCOC)CC2)cc1	160086982	CRPBSXDSYJOXLY-MRXNPFEDSA-N	320.433	2.398	70	20	DEID	
COC(=O)CN1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1	160151484	ADUIJIFTSCXJBM-GFCCVEGCSA-N	319.336	2.228	70	20	DEID	
CCOC(=O)CN1CCC(C(=O)Nc2ccc(F)cc2)CC1	160226163	FLDOACBWQBFTAT-UHFFFAOYSA-N	308.353	2.039	70	20	DEID	
CCc1nn(C)c(CC)c1CNc1ccc(CC(N)=O)cc1	160547112	CGFKOQQJNBPMQZ-UHFFFAOYSA-N	300.406	2.185	70	20	DEID	
O=C(c1ccc(-n2ccnc2)cc1)N1CCC(NCC2CC2)CC1	159800785	HEQSUBKVQUWDLM-UHFFFAOYSA-N	324.428	2.477	70	20	DEID	
COC(C)(C)CNC(=O)Nc1ccccc1O[C@@H]1CCOC1	159833206	MHMYAADFBUNBJG-GFCCVEGCSA-N	308.378	2.401	70	20	DEID	
C[C@H](N[C@H]1CCN(c2cnn(C)c2)C1=O)c1cccc(F)c1F	159473543	BATPDRRLEDVXBL-HZMBPMFUSA-N	320.343	2.154	70	20	DEID	
CCOC(=O)CN(C)CC(=O)Nc1ccccc1C(C)(C)C	159499895	YRCMWMDZYIWQDW-UHFFFAOYSA-N	306.406	2.418	70	20	DEID	
COC[C@@H](O)CNC(=O)c1ccccc1Oc1ccccc1	159538782	GMDBZRHVNKKWCK-ZDUSSCGKSA-N	301.342	2.216	70	20	DEID	
C[C@H](O)CN(C)[C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1	159364064	VXROTQLJCFPNJO-UWVGGRQHSA-N	304.312	2.345	70	20	DEID	
CC[C@H](C)c1cc(C(=O)NCc2nnc3n2CCCCC3)on1	159559422	KZBVOGZACZMTRN-NSHDSACASA-N	317.393	2.436	70	20	DEID	
C[C@H](NC(=O)c1ccoc1)C(=O)N[C@@H]1CCOC2(CCCC2)C1	159974157	LQBVOWGGWGVCKE-GXTWGEPZSA-N	320.389	2.006	70	20	DEID	
CC(C)Cc1ccc(C(=O)NC[C@@H](O)CN2CCCCC2)cc1	159998893	XIAHARREJQBMNJ-GOSISDBHSA-N	318.461	2.462	70	20	DEID	
O=C(COc1cccnc1)NC[C@@H]1CCCN1c1ccccc1	217841052	GZLGFWTVYIFHFY-INIZCTEOSA-N	311.385	2.246	70	20	DEID	
CC(C)(C)C(=O)COC(=O)c1cccc(S(=O)(=O)F)c1	1332350483	GHWHZUQLHHKZCU-UHFFFAOYSA-N	302.323	2.117	70	20	DEID	
O=S(=O)(F)c1ccc(NC[C@H]2C[C@@H]2C2CCOCC2)nc1	1550639750	QYIXOMMPTCADIY-DGCLKSJQSA-N	314.382	2.214	70	20	DEID	
Cc1ccc([C@H](C)N(C)C(=O)N[C@@H]2CCc3ncnn3C2)cc1	161039132	BOAUPOBQBANCML-DZGCQCFKSA-N	313.405	2.304	70	20	DEID	
CC1(NS(=O)(=O)c2ccccc2OC(F)F)CCOCC1	161056029	WIWCLCNFNLRUAM-UHFFFAOYSA-N	321.345	2.135	70	20	DEID	
Cc1ccccc1C[C@@H](C)NC(=O)CS(=O)(=O)C(C)(C)C	161109693	KOFIMNZOMMOBEQ-CYBMUJFWSA-N	311.447	2.256	70	20	DEID	
Cc1ccc(C(=O)CCN(C)CCCN2CCN(C)CC2)cc1	161195036	YQUWPCBDVGNHQZ-UHFFFAOYSA-N	317.477	2.137	70	20	DEID	
C[C@@H](C(=O)N1CCOC[C@@H]1C1CC1)N1CCc2ccccc2C1	161348393	WEQITICULFDZIA-KBXCAEBGSA-N	314.429	2.071	70	20	DEID	
Cn1cc(NC(=O)NC[C@@](C)(O)c2ccccc2Cl)cn1	161361593	SZKVGWOKDBXWEA-CQSZACIVSA-N	308.769	2.103	70	20	DEID	
CCC(C)(C)NC(=O)/C=C/C(=O)Nc1ccc2[nH]ncc2c1	161429187	BSHZIDCYQVSQIE-BQYQJAHWSA-N	300.362	2.362	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)CCc1ccc(OCC)cc1	160048806	FVDWFLCRYBGYPF-CYBMUJFWSA-N	307.390	2.476	70	20	DEID	
C[C@H](NS(=O)(=O)c1ccc2c(c1)CCO2)c1cccc(O)c1	160125814	HWMNGHZNHVQAOB-NSHDSACASA-N	319.382	2.367	70	20	DEID	
Cc1cccc(NC(=O)C(=O)NCCn2cccc2)c1Cl	160155487	UOYOOAUQRSZCJJ-UHFFFAOYSA-N	305.765	2.205	70	20	DEID	
CNC(=O)CCCN(C)C(=O)Nc1ccccc1N1CCCC1	160222097	HEHFSOGZRNSSOC-UHFFFAOYSA-N	318.421	2.277	70	20	DEID	
Cn1nnc2cc(C(=O)N[C@H]3CCCc4sccc43)cnc21	160496660	XPUPCZKBEDRHQZ-NSHDSACASA-N	313.386	2.232	70	20	DEID	
NC(=O)[C@H]1CCCC[C@@H]1NC(=O)c1cc(F)c(Cl)cc1F	160735037	JZVHRODMZXJSQB-MADCSZMMSA-N	316.735	2.392	70	20	DEID	
COC[C@@H](NC(=O)Nc1ccc(Cn2cccn2)cc1)C1CC1	159624773	CTUJRPXOGMAREW-MRXNPFEDSA-N	314.389	2.478	70	20	DEID	
C[C@H](NC(=O)N1CCCN(CC(F)F)CC1)c1cccnc1	159906159	CBVFNEHOYKSDNS-LBPRGKRZSA-N	312.364	2.125	70	20	DEID	
CC[C@H](C(=O)N(C)c1cc(OC)c(OC)c(OC)c1)N(C)C	159714725	QKRFTCVWWXIQFW-GFCCVEGCSA-N	310.394	2.015	70	20	DEID	
CO[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1cccc(Cl)c1F	159764555	UYJTXBWZGBQZLW-MWLCHTKSSA-N	314.744	2.101	70	20	DEID	
CCNC(=O)CCCC(=O)NCCc1cc2ccccc2[nH]1	159574342	QLYDZNGFQAVKND-UHFFFAOYSA-N	301.390	2.133	70	20	DEID	
C[C@H](CCOc1ccccc1)C(=O)N1C[C@@H]2CCC[C@H](C1)N2	159397544	HXHAORCFDBROAU-OAGGEKHMSA-N	302.418	2.445	70	20	DEID	
CC(C)C[C@H](CCO)CNC(=O)N[C@H]1CCO[C@H](C2CC2)C1	159788063	HZFFVZJMQUHJCT-BPUTZDHNSA-N	312.454	2.288	70	20	DEID	
O=C(/C=C/c1cccnc1)Nc1ccc(S(=O)(=O)F)cc1	122967195	JHVKJTHICYKILI-FPYGCLRLSA-N	306.318	2.392	70	20	DEID	
CC1(C)CC[C@@H](OC(=O)c2cccc(S(=O)(=O)F)c2)C1=O	1332352467	QTKHWMIJTTVPRC-LLVKDONJSA-N	314.334	2.259	70	20	DEID	
CC[C@H]1CCC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1516690353	STTBTILTMVSUTM-UWVGGRQHSA-N	302.371	2.372	70	20	DEID	
CC(=O)N1CC[C@H](CN(C)C(=O)NCCc2ccc(C)cc2)C1	161311721	OWWDJTZXVBLDNR-QGZVFWFLSA-N	317.433	2.047	70	20	DEID	
COCc1ccc([C@H]2CCCN2C(=O)COC[C@H]2CCOC2)o1	161372147	IAHHZYWEGQUJDA-DZGCQCFKSA-N	323.389	2.143	70	20	DEID	
Cc1nc(C)n(C[C@H]2CCCN(Cc3cnc4ccccn34)C2)n1	160084218	YTAMOIRMEMKEEO-INIZCTEOSA-N	324.432	2.455	70	20	DEID	
C[C@H]1COCCN1C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1	160110513	WGSZFGFBPVSBCN-SWLSCSKDSA-N	306.362	2.107	70	20	DEID	
Cn1cnc2cc(C(=O)N[C@H]3C[C@@H]3c3cccc(F)c3)cnc21	160255608	ZTGXAOMVEWBDDR-KGLIPLIRSA-N	310.332	2.393	70	20	DEID	
CO[C@@H]1CCC[C@H]1NC(=O)NCc1ccnc(OC(C)C)c1	160310820	BBGXWSKXXVXZNC-ZIAGYGMSSA-N	307.394	2.236	70	20	DEID	
CN(Cc1ccc(O)cc1)C(=O)N[C@H]1CCO[C@H](C2CC2)C1	160567603	MKVUROLFXJOYIF-HOCLYGCPSA-N	304.390	2.491	70	20	DEID	
C[C@@H](O)CC(C)(C)CNC(=O)Nc1ccn(CC(F)(F)F)n1	160609844	WEJSKOPYDRTYTN-SECBINFHSA-N	322.331	2.364	70	20	DEID	
C[C@H](N[C@@H](CN1CCCC1=O)c1ccccc1)[C@@H]1CCOC1	160676579	KKILRAPHCLLTBR-UAGQMJEPSA-N	302.418	2.365	70	20	DEID	
CS(=O)(=O)Cc1ccc(NC(=O)c2ccncc2)cc1F	160679004	NQSYUJLHEAKDDY-UHFFFAOYSA-N	308.334	2.018	70	20	DEID	
CCCN(CC(=O)N(C)C)C(=O)c1cnn(C(CC)CC)c1C	160684791	QQRLRJAODGTJDS-UHFFFAOYSA-N	322.453	2.493	70	20	DEID	
O=C1C[C@@H](CC(=O)N2CCCN(CC3CCCCC3)CC2)CO1	160796108	WBMKFKLTMOHZSC-MRXNPFEDSA-N	322.449	2.054	70	20	DEID	
CN(C[C@H]1CCC[C@@H]1O)[C@H](C(=O)NC1CC1)c1ccccc1	159806451	FAQSMDCNHNWDKB-PVAVHDDUSA-N	302.418	2.099	70	20	DEID	
CCC(CC)(CNCC[S@@](=O)c1ccccc1)C(=O)OC	159653812	LBPWMYWGUDVTMY-NRFANRHFSA-N	311.447	2.363	70	20	DEID	
CC(C)CCn1ccc(N[C@@H](C)C(=O)NC(=O)NCC(C)C)n1	159918595	IVXZSCUQKWJYTN-ZDUSSCGKSA-N	323.441	2.211	70	20	DEID	
CCn1cnnc1CNC(=O)Cc1c[nH]c2ccc(Cl)cc12	159951153	NKWTXHLJUMRLBD-UHFFFAOYSA-N	317.780	2.292	70	20	DEID	
CONC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1	159561966	ZCZFGPDBBXLISA-ZDUSSCGKSA-N	302.296	2.119	70	20	DEID	
Cc1cc(C(=O)CCC(=O)N(CC(N)=O)CC(C)C)c(C)s1	159789257	IHGVKNRYCRJVPT-UHFFFAOYSA-N	324.446	2.298	70	20	DEID	
CC[C@H](C)[C@H](OC)C(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	857672904	LPUVVYOKGOMFGQ-UFBFGSQYSA-N	321.345	2.484	70	20	DEID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)c1c(F)ccnc1F	865204936	OXEXQAZLTGUIIM-UHFFFAOYSA-N	316.260	2.270	70	20	DEID	
C[C@H]1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1121186912	VKBSTVQHJIOBNH-VHSXEESVSA-N	302.371	2.372	70	20	DEID	
CC(C)C1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1519147131	QXODQRIWZXMMMH-UHFFFAOYSA-N	302.371	2.181	70	20	DEID	
CC(C)OC(=O)c1ccn(CCOc2ccccc2)c(=O)c1	161067857	NFGPRJPZNPNKHF-UHFFFAOYSA-N	301.342	2.493	70	20	DEID	
COc1cccc([C@@H]2CCCN2C(=O)C[C@@H]2COC(=O)C2)c1	161102881	CITIPBWSNWVMFJ-WFASDCNBSA-N	303.358	2.312	70	20	DEID	
CS(=O)(=O)Cc1nc2ccccc2n1Cc1nccs1	161217313	CHPBIHHCAODEEP-UHFFFAOYSA-N	307.400	2.086	70	20	DEID	
CCCNC(=O)CCNC(=O)[C@H]1C[C@H]1c1cccc(F)c1F	161370695	LNMFOGRAIBJBDO-RYUDHWBXSA-N	310.344	2.101	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)CCc1nnc(C2CCCC2)o1	160086557	ZPIGZNDCIWFDAQ-NSHDSACASA-N	323.393	2.118	70	20	DEID	
COC(=O)c1ccc(S(=O)(=O)NCC2(C3CC3)CC2)s1	160191127	NKVNSKKOZXTUPI-UHFFFAOYSA-N	315.416	2.003	70	20	DEID	
Cc1cc(C(=O)N2CSC[C@H]2C(=O)N2CCCC2)oc1C	160196808	AIOHIJINAOJVFA-LBPRGKRZSA-N	308.403	2.034	70	20	DEID	
C[C@@H](N[C@@H]1CCCN(c2ccccc2F)C1=O)[C@@H]1CCOC1	160202546	HUSKGZVCFXMTBH-UMVBOHGHSA-N	306.381	2.336	70	20	DEID	
COCC(C)(C)C(=O)NCc1ccc(O)c(Br)c1	160328794	APPSHNQXBPJMON-UHFFFAOYSA-N	316.195	2.444	70	20	DEID	
O=C(CCC1CCCC1)Cn1c(-c2cccnc2)noc1=O	160364979	VQMDEBPQCKAVAN-UHFFFAOYSA-N	301.346	2.438	70	20	DEID	
CCOCCC1(CNC(=O)N[C@@H]2CCC[C@H]3OCC[C@H]23)CC1	160432817	WDHBGWMFCLRGJE-RBSFLKMASA-N	310.438	2.450	70	20	DEID	
COCCCNC(=O)NC[C@H](c1ccccc1)C(C)(C)CO	160966860	GOVWQRKZEIECRR-OAHLLOKOSA-N	308.422	2.124	70	20	DEID	
COc1cc(C(=O)N[C@@H](C)C(=O)OC2CCCC2)ccc1F	159418958	KLPMIUZRIBUYHM-JTQLQIEISA-N	309.337	2.438	70	20	DEID	
O=C(N[C@@H]1CCC[C@H]2OCC[C@H]12)c1cc(-c2ccco2)[nH]n1	159834026	CHNQFSIBBGWCAO-JTNHKYCSSA-N	301.346	2.357	70	20	DEID	
CCCCn1ncc(NC(=O)N[C@@H]2CCCC[C@@H]2C(N)=O)c1C	159851482	XVYBPZPUIFLNPV-QWHCGFSZSA-N	321.425	2.157	70	20	DEID	
CNC(=O)CCCN(C)C(=O)Nc1ccc(F)c(Cl)c1	159922134	VVCVFPOXDCLFOL-UHFFFAOYSA-N	301.749	2.469	70	20	DEID	
Cc1nc(COC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)c(C)s1	159935996	BDVASCQHMMPLBI-ZDUSSCGKSA-N	322.430	2.452	70	20	DEID	
CCOCCC1(CNC(=O)c2ccc3[nH]nnc3c2)CCC1	159562518	YUQABGBARUBRLW-UHFFFAOYSA-N	302.378	2.285	70	20	DEID	
COC(=O)[C@H]1CCCN(C(=O)N[C@H](C)c2cccc(O)c2)C1	159770107	XKWWAIDMSUARHK-YPMHNXCESA-N	306.362	2.048	70	20	DEID	
CC1(C)C[C@H]1C(=O)NCc1ccc(CN2CCCC2=O)cc1	159974289	QDXBKCQBICUISZ-HNNXBMFYSA-N	300.402	2.471	70	20	DEID	
CCOC(=O)CCc1ccc(NC(=O)N2CCC[C@H](O)C2)cc1	159581715	HZBDNCXACSMODR-HNNXBMFYSA-N	320.389	2.171	70	20	DEID	
CCN(CCNC[C@@H](O)COc1ccc(Cl)cc1)C1CC1	218310045	MWORHVLJYXINJM-OAHLLOKOSA-N	312.841	2.154	70	20	DEID	
Cc1nc(-c2c[nH]c(C(=O)N[C@@H]3CCC[C@@H]3CO)c2)cs1	218022088	MIEPBMJZMCRRDB-ZYHUDNBSSA-N	305.403	2.337	70	20	DEID	
Cc1ccc(NC(=O)[C@H]2C[C@H]3CC[C@H]2O3)cc1S(=O)(=O)F	857675391	LYMBZGLYBFUGGO-GRYCIOLGSA-N	313.350	2.159	70	20	DEID	
CC(C)C1CN(c2ccc([N+](=O)[O-])cc2CS(=O)(=O)F)C1	882130104	NQTSJIRSLARGHB-UHFFFAOYSA-N	316.354	2.486	70	20	DEID	
COC[C@H](O)CCNC(=O)[C@@H](C)Oc1ccc(C(C)C)c(C)c1	161002417	BKCQLTWFRGHSDC-HUUCEWRRSA-N	323.433	2.399	70	20	DEID	
CC(=O)Nc1ccc(CCNC2CCC3(CC2)OCCO3)cc1	161026232	KJVOUNYNIGADAN-UHFFFAOYSA-N	318.417	2.463	70	20	DEID	
CSc1ccc(S(=O)(=O)N2CCC[C@H]2C(C)(C)O)cc1	161160120	SZLOGVGALXSWJY-ZDUSSCGKSA-N	315.460	2.333	70	20	DEID	
CCCOc1ccc(OCC(=O)N2CCC[C@@H]2CNC)cc1	161162456	ODDWTOCNKQXLSY-CQSZACIVSA-N	306.406	2.065	70	20	DEID	
Cc1conc1NC(=O)C(=O)NCC(C)(C)Cc1ccccc1	161239206	STSMZOBXHSASSO-UHFFFAOYSA-N	315.373	2.307	70	20	DEID	
O=C(N[C@H]1CCN(c2ccccn2)C1)c1cc(Cl)ccc1O	161250239	PAWXSDFLFPFUBH-LBPRGKRZSA-N	317.776	2.449	70	20	DEID	
COc1ccc(N(C)C(=O)CNC[C@@H]2CCCO2)cc1Cl	161440746	YCOFOLOIIQUDRX-LBPRGKRZSA-N	312.797	2.080	70	20	DEID	
CCN(CC(=O)Nc1c(F)cccc1F)Cc1cn(C)nc1C	160240220	HPONQWKRRCVXLH-UHFFFAOYSA-N	322.359	2.467	70	20	DEID	
O=C1CCCC[C@H]1[C@H]1COCCN1C(=O)c1cc(Cl)c[nH]1	160412442	MOZHGBRMJLCLOH-WCQYABFASA-N	310.781	2.268	70	20	DEID	
Cc1c(C(=O)NC[C@@H](O)CN2CCCCC2)oc2ccccc12	160479854	AGAJCMOBSMADNH-CQSZACIVSA-N	316.401	2.318	70	20	DEID	
COc1cccc(C(=O)N2CCOC[C@H]2[C@H]2CCCCC2=O)c1	160528367	LYOQNSYEFWWWRB-CVEARBPZSA-N	317.385	2.296	70	20	DEID	
COc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)c(C)n1	160665540	GABVPZJKIOOABQ-UHFFFAOYSA-N	314.313	2.478	70	20	DEID	
CSCC[C@@H](N)C(=O)Nc1ccc(C)c(C(=O)NC(C)C)c1	159500083	QDDRLUSINMJODP-CQSZACIVSA-N	323.462	2.152	70	20	DEID	
O=C(Nc1cccc(S(=O)(=O)F)c1)[C@@H]1COc2ccccc21	460091693	KMPRBHWEQBLIEC-CYBMUJFWSA-N	321.329	2.460	70	20	DEID	
CO[C@H]1CCC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	1339084627	DXRGHJPXRLXZID-ONGXEEELSA-N	319.329	2.238	70	20	DEID	
O=C(Cc1ccc(S(=O)(=O)F)cc1)N(CC(F)F)C1CC1	1337683219	DQJSEDJXSCNZLL-UHFFFAOYSA-N	321.320	2.143	70	20	DEID	
COCc1noc(Cc2c(C)nn(CC(F)(F)F)c2C)n1	160854465	XNRXRKMAVBOJCL-UHFFFAOYSA-N	304.272	2.182	70	20	DEID	
CC[C@@H]1CCCCN1C(=O)[C@H](C)N(CC)Cc1cnn(C)c1	161071453	MYVSLLHZQPZQJA-GOEBONIOSA-N	306.454	2.422	70	20	DEID	
c1ccc(Cc2nc(CSCCN3CCOCC3)no2)cc1	160032627	YOCPQBUMZFGWOA-UHFFFAOYSA-N	319.430	2.226	70	20	DEID	
CC(C)CCOC1CCN(C(=O)[C@@H]2CCn3ccnc3C2)CC1	160081734	OMUPGDXAYALPPB-OAHLLOKOSA-N	319.449	2.499	70	20	DEID	
Cc1conc1NC(=O)C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1	160120720	QQQXYYHTJVMDBW-IUCAKERBSA-N	319.283	2.159	70	20	DEID	
Cc1nccn1C[C@H](C)CNC(=O)[C@H](O)c1ccccc1Cl	160150540	XRRDOUBSQWEBAI-IAQYHMDHSA-N	321.808	2.331	70	20	DEID	
CCOc1ccc(CNC(=O)N2CCO[C@@H](C)[C@@H]2C)cc1OC	160182403	JVGHWSKHTIHLGQ-STQMWFEESA-N	322.405	2.413	70	20	DEID	
Cc1cc(C(=O)NC2CCN([C@H]3CCCC[C@@H]3O)CC2)c(C)o1	160216346	JWUKVAAOEQICOJ-IRXDYDNUSA-N	320.433	2.394	70	20	DEID	
Cc1conc1NC(=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C	160226695	SVUYUVHKMQFKDZ-GDLVEWKHSA-N	305.378	2.253	70	20	DEID	
CC[C@H](COC)NS(=O)(=O)c1cccc(C(F)(F)F)c1	160283232	NYIQMHWDDQILIB-SNVBAGLBSA-N	311.325	2.409	70	20	DEID	
CCc1ccc([C@H](C)C(=O)NC[C@@H](O)CN2CCCCC2)cc1	160464601	CRBKEWMECQHKMH-MAUKXSAKSA-N	318.461	2.316	70	20	DEID	
CC[C@@H](NC(=O)c1ccc2c(c1)nnn2C)c1c(C)noc1C	160605941	MUIAWJXPLXTIMP-GFCCVEGCSA-N	313.361	2.454	70	20	DEID	
COCCCN(C)C(=O)c1cccc(OCc2noc(C)n2)c1	160765327	VTAUZEUOBFKBCX-UHFFFAOYSA-N	319.361	2.066	70	20	DEID	
COc1ccc(N(C)C(=O)c2cnc3c(c2)ncn3C)cc1F	160795228	RMJMCMUQPLSTNJ-UHFFFAOYSA-N	314.320	2.393	70	20	DEID	
CC(C)(C)[C@@H](CCO)NC(=O)Nc1ccn(CC(F)(F)F)n1	160892694	DETMUYHQTLHBGW-SECBINFHSA-N	322.331	2.364	70	20	DEID	
CC[C@@H](O)CCNC(=O)NCc1ccccc1CN(C)C(C)C	160947969	KMMPBMMBYNOQNU-QGZVFWFLSA-N	321.465	2.487	70	20	DEID	
CC(C)CCn1ccc(NC(=O)NCCCO[C@H]2CCOC2)n1	159927916	YLFCLZDAPGTLRA-AWEZNQCLSA-N	324.425	2.246	70	20	DEID	
CC(C)Cn1ncc(C(=O)NCCn2cccn2)c1C(F)F	159732610	BOXQZIDPRQLKOL-UHFFFAOYSA-N	311.336	2.103	70	20	DEID	
Cc1cc(F)c(C(=O)NCc2ccc(C(N)=O)cc2)cc1F	159741192	NDZQSDKMRAFULV-UHFFFAOYSA-N	304.296	2.302	70	20	DEID	
CC(C)CN1CCCC[C@H]1CNC(=O)N(C)CCN1CCCC1	161001488	LAUCBUJKKUOCGW-KRWDZBQOSA-N	324.513	2.234	70	20	DEID	
CC(C)[C@H](NC(=O)N[C@H](C)CCO)c1ccc2c(c1)OCCO2	161258603	FVJDEQLFBFOMIN-WBMJQRKESA-N	322.405	2.225	70	20	DEID	
C[C@H](NCc1cccc(C(=O)NCCN(C)C)c1)C1(C)CC1	161266445	MVDMEGYWERZQBR-AWEZNQCLSA-N	303.450	2.256	70	20	DEID	
Cc1cc(C[C@H](C)NC(=O)c2ncccc2OCC(F)F)n[nH]1	161277869	KJAFMHMCQSRASD-VIFPVBQESA-N	324.331	2.118	70	20	DEID	
O=C1NC2(CCCC2)C(=O)N1CCN1CCC[C@H]1C1CCC1	160456273	OSGHMVLMBVVTTP-AWEZNQCLSA-N	305.422	2.116	70	20	DEID	
O=C(NCC1(O)CCCCCC1)N[C@@H]1CCO[C@@H](C2CC2)C1	160606117	KVSVRMCEBTWFDT-HUUCEWRRSA-N	310.438	2.329	70	20	DEID	
CCN(CC)C(=O)CCC(=O)N(C)c1ccc2c(c1)OCO2	160618441	CYTKBUPHSOGPDJ-UHFFFAOYSA-N	306.362	2.027	70	20	DEID	
CC(C)Oc1ccccc1CNC(=O)C1(O)CCSCC1	160677726	VBRVJNCUDODTME-UHFFFAOYSA-N	309.431	2.348	70	20	DEID	
O=C(Nc1cccc(F)n1)[C@H]1CN(Cc2ccccc2)CCO1	160717186	DXOJOBVUCDLRNW-CQSZACIVSA-N	315.348	2.060	70	20	DEID	
Cc1c(/C=C/C(=O)NC[C@]2(N(C)C)CCC[C@@H](C)C2)cnn1C	160779976	GXIWOKAMTOSESL-MHMSXWKFSA-N	318.465	2.368	70	20	DEID	
CC(C)NC(=O)CN[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1	160918770	LDYDCODRFSGGKX-LBPRGKRZSA-N	318.421	2.146	70	20	DEID	
Cn1c(C(=O)N[C@@H]2CCc3c(Cl)cccc32)cccc1=O	160980359	SQASBIVZBBSMMF-CYBMUJFWSA-N	302.761	2.456	70	20	DEID	
C[C@H](CCO)CNC(=O)c1ccc(N2CCCCCC2)nc1	160984297	DJAJWNFPWGRLEN-CQSZACIVSA-N	305.422	2.210	70	20	DEID	
COCCCN(C)CCNC(=O)Nc1ccnc(C)c1Cl	159831049	FFBZUOXEESQPFE-UHFFFAOYSA-N	314.817	2.133	70	20	DEID	
C[C@@H](CCn1cccn1)Nc1ccc(CCS(C)(=O)=O)cc1	159481810	IQINRNBIQYCMPJ-AWEZNQCLSA-N	321.446	2.361	70	20	DEID	
COC(=O)CCCc1csc(NC(=O)[C@H]2CCO[C@H]2C)n1	159743036	QFRIDANOMXCJSN-ONGXEEELSA-N	312.391	2.002	70	20	DEID	
CCOc1c(Cl)cc(C(=O)NC[C@H](O)C(C)C)cc1OC	159745491	QLDZFGSVJOBFAL-LBPRGKRZSA-N	315.797	2.494	70	20	DEID	
C[C@@H](Oc1ccccn1)C(=O)Nc1ccc(S(=O)(=O)F)cc1	864238216	HCVCUIHFJPJRNF-SNVBAGLBSA-N	324.333	2.146	70	20	DEID	
C[C@H]1CCC[C@H]1CNC(=O)Cc1ccc(S(=O)(=O)F)cc1	1121121548	ZOSIUXVSDTUSFQ-AAEUAGOBSA-N	313.394	2.440	70	20	DEID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N[C@H]1CSC[C@@H]1C	1354971927	XOQCOGWBRBCXDF-CABZTGNLSA-N	317.407	2.135	70	20	DEID	
O=S(=O)(F)c1ccc(NC[C@@]2(O)CC3CCC2CC3)nc1	1551229707	XDNLUGTYBFGHBT-MGULZYLOSA-N	314.382	2.093	70	20	DEID	
CCCCN1CCc2ccc(NC(=O)C(=O)NC(C)C)cc21	161003189	SLDXYYQEHDOIKT-UHFFFAOYSA-N	303.406	2.312	70	20	DEID	
CC[C@@H](O)CN(Cc1ccccc1)c1cnn(C)c(=O)c1Cl	161023422	PSXBFQMXMFSCGU-CYBMUJFWSA-N	321.808	2.211	70	20	DEID	
CC(=O)c1ccc(OCCCC(=O)N[C@@H]2CCC[C@@H](N)C2)cc1	161172701	MFCKIPSQAYTQSA-HZPDHXFCSA-N	318.417	2.434	70	20	DEID	
O=C(C1=COCCO1)N1CC[C@H](Oc2ccccc2Cl)C1	161288745	AGZYNDSGGRYYSN-NSHDSACASA-N	309.749	2.208	70	20	DEID	
CCCN(CC(=O)NC)C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F	161388084	JBPDZAJGOBVCRZ-VXGBXAGGSA-N	310.344	2.053	70	20	DEID	
Cc1cc(C(=O)N2CCN(c3ccccc3Cl)CC2)ncn1	161436999	GMBBFLSAJNVEOX-UHFFFAOYSA-N	316.792	2.401	70	20	DEID	
CCOc1ccc(-c2nc(C(=O)NCCCN)cs2)cc1	160004506	LGANRAHHLYVCRV-UHFFFAOYSA-N	305.403	2.287	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)Cc1c[nH]c2cc(F)ccc12	160079240	JRWXDKREGADCKU-SNVBAGLBSA-N	306.337	2.307	70	20	DEID	
CN(C)c1ccc(C(=O)NC[C@@H]2CCN(C3CC3)C2)c(F)c1	160141076	MKIJHRILDMEDSP-LBPRGKRZSA-N	305.397	2.106	70	20	DEID	
Cc1nnc2ccc(N[C@@H]3CN(Cc4ccccc4)C[C@@H]3C)nn12	160242312	FOCJIUVDAWSENW-XJKSGUPXSA-N	322.416	2.365	70	20	DEID	
COCCn1ccc(NC(=O)N2CCc3cccc(F)c3C2)n1	160260402	HGTPSPMLPKFRQM-UHFFFAOYSA-N	318.352	2.259	70	20	DEID	
CC[C@@H](CC(=O)N(C)C[C@H](C)C(=O)NC)c1ccc(OC)cc1	160419926	DETWGFRTNXGYAC-KBPBESRZSA-N	320.433	2.419	70	20	DEID	
NC(=O)c1ccccc1NC(=O)c1csc([C@@H]2CCCO2)n1	160614112	HYOOOXRBHMLFFU-LBPRGKRZSA-N	317.370	2.346	70	20	DEID	
CN[C@H]1CCN(C(=O)c2cnn(-c3ccccc3)c2C2CC2)C1	160709158	IBCMNQXMWAQHGW-AWEZNQCLSA-N	310.401	2.184	70	20	DEID	
CC(C)CCn1ccc(NC(=O)Nc2cccn(C)c2=O)n1	160764236	BCKNTNUECGLXQR-UHFFFAOYSA-N	303.366	2.272	70	20	DEID	
Cc1ccc(CNC(=O)c2ccc(C(=O)NC(C)C)cc2)cn1	160808772	UECIQGSLMMOFIX-UHFFFAOYSA-N	311.385	2.458	70	20	DEID	
CCn1c(SCc2nncn2C)nnc1-c1cccs1	160921914	DCKHXHCLPYZBNA-UHFFFAOYSA-N	306.420	2.447	70	20	DEID	
CC[C@](C)(CCO)NC(=O)NC[C@H]1CCCCN1CC(C)C	160928936	KEOZRMVDOOUHCX-NVXWUHKLSA-N	313.486	2.347	70	20	DEID	
CN(CCc1nccs1)S(=O)(=O)N(C)C1CCCCC1	159662585	PKJXNQFEOBYJCT-UHFFFAOYSA-N	317.480	2.127	70	20	DEID	
O=C(N[C@@H]1CCOC2(CCCC2)C1)[C@H]1CSCCS1	159918054	SBIKFMUASQWCCX-VXGBXAGGSA-N	301.477	2.443	70	20	DEID	
CNC(=O)Cc1ccc(NC(=O)N2CCS[C@@H](C)[C@H]2C)cc1	159384297	WLGUMINISGOVHM-NEPJUHHUSA-N	321.446	2.333	70	20	DEID	
COCCN(CCO)C(=O)c1cc(SC)ccc1Cl	160648874	VRUQPEVJJCJOHM-UHFFFAOYSA-N	303.811	2.143	70	20	DEID	
C=CCCSCCNC(=O)c1ccc(S(=O)(=O)F)cc1	892815993	DIVOXEIFCBJCOQ-UHFFFAOYSA-N	317.407	2.384	70	20	DEID	
CCOCCC1(CNC(=O)CSc2nncs2)CCC1	161427917	CQLGLOINAMYRCF-UHFFFAOYSA-N	315.464	2.343	70	20	DEID	
CN(CC1CCOCC1)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2	160243040	AQQLLQJQQFIBIQ-KFWWJZLASA-N	308.422	2.012	70	20	DEID	
CCN1CC[C@H](CNC(=O)C2(c3ccc(C)c(OC)c3)CC2)C1	160348763	BUCQZEZXUREJJD-OAHLLOKOSA-N	316.445	2.493	70	20	DEID	
CN(C)[C@@H]1CCN(C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)C1	160354557	PKJRSORSLDBBBZ-GDBMZVCRSA-N	319.405	2.022	70	20	DEID	
O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)N1CCC[C@@H]1CO	160693054	RCIIPSXXBVVXOQ-XHSDSOJGSA-N	304.390	2.073	70	20	DEID	
CSCCN(C)C(=O)Nc1ccc(-c2ncn(C)n2)cc1	160776575	DUSQJSBLJJCHMA-UHFFFAOYSA-N	305.407	2.309	70	20	DEID	
CC(=O)Nc1cc(NC(=O)N[C@H]2CC[C@H](O)CC2)ccc1C	160873013	HXVGMZSFSIIJDX-XBXGTLAGSA-N	305.378	2.378	70	20	DEID	
CSc1ccc(S(=O)(=O)NCC2(O)CCCCC2)cc1	159804679	RAHLJRCRSSKMCP-UHFFFAOYSA-N	315.460	2.382	70	20	DEID	
Cc1nccc(NC(=O)NCCCO[C@@H]2CCOC2)c1Cl	159926830	JHTMJFBDPLSJQM-LLVKDONJSA-N	313.785	2.361	70	20	DEID	
Cc1ccc(C(=O)C(=O)NC[C@@]2(O)CCc3ccccc32)cc1	159365011	SEEIMSDCWJFKME-IBGZPJMESA-N	309.365	2.128	70	20	DEID	
CCc1ncnc(NC[C@H]2CCN(CC(F)(F)F)C2)c1F	217978658	IDFNVQLROZZPFP-SECBINFHSA-N	306.307	2.474	70	20	DEID	
CCOCCCNC(=O)c1cc(S(=O)(=O)F)ccc1Cl	1120909354	IOPAMFVQUOISCN-UHFFFAOYSA-N	323.773	2.155	70	20	DEID	
CS[C@@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(C)(C)C	1337519623	COIXDWPNJABNLK-JTQLQIEISA-N	322.427	2.180	70	20	DEID	
COc1ccc(NC(=O)CCn2c(C)c(C)sc2=O)cc1N	161078294	LHDFBTRCBFCCGW-UHFFFAOYSA-N	321.402	2.146	70	20	DEID	
C[C@H]1C[C@@H](NCCCc2nnc3n2CCCCC3)[C@H](C)CN1C	161153394	ZAYVJYICNQBGAG-OWCLPIDISA-N	319.497	2.255	70	20	DEID	
COc1cc(C)ccc1OCC(=O)N[C@H](C)Cc1cc(C)[nH]n1	161351415	RMUIDPFAZZPMQC-GFCCVEGCSA-N	317.389	2.161	70	20	DEID	
CN(CCCNC(=O)NO[C@H]1CCCCO1)Cc1ccccc1	161477998	VEUZXKPQHZXBCL-INIZCTEOSA-N	321.421	2.266	70	20	DEID	
CN1CC[C@H]2[C@H](CCCN2C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)C1	160343674	UZZAVZYRBQXDEN-NCOADZHNSA-N	321.465	2.070	70	20	DEID	
CC(C)c1cc(C(=O)N2CCOC[C@@H]2[C@@H]2CCCCC2=O)n[nH]1	160476027	NLUATJGQLVBYRT-SWLSCSKDSA-N	319.405	2.133	70	20	DEID	
CC(C)NC(=O)Nc1ccccc1C(=O)N[C@H](CCO)C(C)C	160734867	XUPVPBCDHXZDAI-CQSZACIVSA-N	321.421	2.353	70	20	DEID	
CCC(CC)c1cc(C(=O)NCc2nnc3n2CCCC3)on1	160889668	BIFYKLWIHKTNSZ-UHFFFAOYSA-N	317.393	2.436	70	20	DEID	
CC[C@@H]1CCCC[C@@H]1N(C)C(=O)c1nc2nccc(C)n2n1	160956836	VDCHZUDMWHAMGQ-OLZOCXBDSA-N	301.394	2.474	70	20	DEID	
COC(=O)c1ccc(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2N)cc1Cl	159463850	AVCIEOVBQJDEMZ-AWRWRYAPSA-N	322.792	2.439	70	20	DEID	
NC(=O)[C@H]1CCCCN1C(=O)c1cc(Cl)cc(Cl)c1	159861590	UIHVPYAEFAOTOK-LLVKDONJSA-N	301.173	2.473	70	20	DEID	
CC(=O)Nc1cccc([C@@H](C)NCCCN2CCCC2=O)c1	159477501	AEYUAOURQJHDFH-CYBMUJFWSA-N	303.406	2.308	70	20	DEID	
CC[C@@H]1CCC[C@@H]1NC(=O)[C@@H](C)Sc1nnnn1C1CC1	159516533	ZUCOFMZTNSGPBL-FOGDFJRCSA-N	309.439	2.184	70	20	DEID	
COC(=O)C1(N(C)CC(=O)Nc2ccc(F)cc2)CCCC1	159370364	PMTQVDXCSJSGJH-UHFFFAOYSA-N	308.353	2.182	70	20	DEID	
CSC[C@@](C)(O)CNC(=O)CSCc1ccc(F)cc1	217654826	XDQKILBKJIFCDO-AWEZNQCLSA-N	317.451	2.289	70	20	DEID	
O=C(OCCC(F)(F)F)c1ccc(S(=O)(=O)F)cc1	490536365	JRDHPUMPZCCDQU-UHFFFAOYSA-N	300.229	2.454	70	20	DEID	
CN(C(=O)c1cccc(S(=O)(=O)F)c1)c1cccc(C#N)c1	1337666588	BSJPVPMHLFDZSD-UHFFFAOYSA-N	318.329	2.493	70	20	DEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@H]2CCCC[C@@H]2C1	1527390937	ANSILMIITSOPHA-GHMZBOCLSA-N	314.382	2.325	70	20	DEID	
Cn1cnnc1CSc1nnc(NCc2ccco2)s1	161001517	MVNWEBNLRKPVBG-UHFFFAOYSA-N	308.392	2.164	70	20	DEID	
Cc1ccc(OCc2nnc(SCc3nncn3C)o2)cc1	161025487	ZYPDPVAYQNEGHX-UHFFFAOYSA-N	317.374	2.378	70	20	DEID	
CCCNC(=O)C1CCN(C(=O)C2(CCOCC)CCC2)CC1	161076298	APFKGTWQIHOEJW-UHFFFAOYSA-N	324.465	2.348	70	20	DEID	
CC(C)CN1CCC[C@H](CNc2cnn(C)c(=O)c2Cl)C1	161316328	WHFIMWQIEGUZEV-GFCCVEGCSA-N	312.845	2.214	70	20	DEID	
Cc1nc(Cc2noc(-c3csc([C@H]4CCCO4)n3)n2)no1	161418075	XHMOGCYGABWOTO-SECBINFHSA-N	319.346	2.327	70	20	DEID	
CC[C@H](Oc1cccc(C)c1)C(=O)NCCSCCCO	161475284	UVZMGBDZANYKSM-HNNXBMFYSA-N	311.447	2.384	70	20	DEID	
COc1ccc(N(C)C(=O)[C@H]2CCN(C(C)=O)C2)cc1Cl	160310977	GCBNZQBOBBATHC-NSHDSACASA-N	310.781	2.180	70	20	DEID	
Cc1ccc(-c2nnc(NC(=O)Cc3c(C)noc3C)[nH]2)o1	160341771	ZVOZQKJIDMLKED-UHFFFAOYSA-N	301.306	2.159	70	20	DEID	
O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)[C@@H]2CCCCO2)C1	160351173	ZYWKZYFMBBPNAM-HOCLYGCPSA-N	316.401	2.433	70	20	DEID	
COc1cccc([C@@H](CNC(=O)C2=C(C)OCCC2)N(C)C)c1	160371765	RYRWYHDBGXEVGV-QGZVFWFLSA-N	318.417	2.499	70	20	DEID	
CN(C)c1cccc(CNC(=O)Nc2cnc(C3CC3)nc2)n1	160574776	CWIQDGOIXMRIPH-UHFFFAOYSA-N	312.377	2.137	70	20	DEID	
CCCC1(CNC(=O)CCS(=O)(=O)C2CCCC2)CC1	160597656	QUIDQSLVDFISGK-UHFFFAOYSA-N	301.452	2.430	70	20	DEID	
Cc1ccccc1O[C@H](C)CNC(=O)c1cnc2c(c1)ncn2C	160634041	REZYSQAOVIHDSA-CYBMUJFWSA-N	324.384	2.474	70	20	DEID	
CC(C)c1cc(NS(=O)(=O)c2cccc3c2OCCO3)[nH]n1	160652462	NOMZLZZWXMJPGQ-UHFFFAOYSA-N	323.374	2.105	70	20	DEID	
C[C@@H](OC[C@@H]1CCCO1)C(=O)N1CCc2c(F)cccc2C1	160972250	YJBQHPRQJXUDMW-OCCSQVGLSA-N	307.365	2.295	70	20	DEID	
CCCC[C@H](CCC)NC(=O)NCC1(CO)CCOCC1	159440604	NXRZZSWUEZSQLG-AWEZNQCLSA-N	300.443	2.434	70	20	DEID	
C[C@@H]1CC[C@H](NC(=O)NCCC(=O)N(C)C)c2ccccc21	159646921	UUVHUAAEWROMHY-DOMZBBRYSA-N	303.406	2.403	70	20	DEID	
CCN(CCNC(=O)N1CCC[C@@](C)(O)C1)c1cccc(C)c1	159878262	NGLUOVSVCCGIOQ-GOSISDBHSA-N	319.449	2.378	70	20	DEID	
CCOC(=O)CN(C)[C@H](C)C(=O)N1c2ccccc2CC[C@@H]1C	159515105	ZMHLYLGNTWTFRW-UONOGXRCSA-N	318.417	2.238	70	20	DEID	
CC[C@@H](NC(=O)C1(OC)CCNCC1)c1ccc(F)cc1F	159730820	RGSCNVRCVCINAD-CQSZACIVSA-N	312.360	2.301	70	20	DEID	
Cc1c(CCC(=O)Nc2nnc(C(F)F)s2)cnn1C	159957392	RZEBKFUJHHLBRE-UHFFFAOYSA-N	301.322	2.089	70	20	DEID	
CCc1c(C(=O)NCC2(OC)CCOCC2)[nH]c(C)c1C(C)=O	159376450	WFVYCUCLGWBUEM-UHFFFAOYSA-N	322.405	2.014	70	20	DEID	
CCOc1cc(CNC(=O)C2(N)CCCCC2)ccc1OC	159588644	RFNAEEOAWGBBMA-UHFFFAOYSA-N	306.406	2.372	70	20	DEID	
COC(=O)c1sc(NC[C@H]2CCN(C3CC3)C2)nc1Cl	217875289	OVCCGDYEPVWOCH-MRVPVSSYSA-N	315.826	2.479	70	20	DEID	
COc1c(Cl)cccc1NC(=O)N[C@H]1CCc2ncnn2C1	161163051	AXOJJYSTGNAMKO-VIFPVBQESA-N	321.768	2.077	70	20	DEID	
CCCOc1cc(F)ccc1NS(=O)(=O)c1cn[nH]c1C	161299507	IINOJJIAKSWUIB-UHFFFAOYSA-N	313.354	2.447	70	20	DEID	
COc1ccccc1SCC(=O)NCCCn1ccnc1	161358343	OVSFCMWRPQWHEU-UHFFFAOYSA-N	305.403	2.190	70	20	DEID	
COCCC1(CNC(=O)NCC(C)(C)[C@H](O)C(C)C)CC1	160088477	BBJPPSBHWRBVDD-CYBMUJFWSA-N	300.443	2.145	70	20	DEID	
C[C@@H](CC(=O)NCCN1C(=O)Cc2ccccc21)c1ccncc1	160334399	HESIGCBZVWMXGN-AWEZNQCLSA-N	323.396	2.281	70	20	DEID	
Cc1c(CNC(=O)N[C@H]2CCc3c(F)cccc32)cnn1C	160536137	GKJUJTYCCUQHLE-HNNXBMFYSA-N	302.353	2.354	70	20	DEID	
Cc1cccc(OC[C@H](O)CN2CC[C@]3(O)CCCC[C@@H]3C2)c1	160550593	FJMHSZJSIMCXOG-ZHALLVOQSA-N	319.445	2.362	70	20	DEID	
CC[C@H](NC(=O)c1cccc(C(N)=O)c1)c1c(C)noc1C	160575238	UHNIFYLJWPZXQW-ZDUSSCGKSA-N	301.346	2.271	70	20	DEID	
CC(C)N1CCN(C(=O)Nc2ccn(CC(F)(F)F)n2)CC1	160774661	VUZLQZJAJOHGGQ-UHFFFAOYSA-N	319.331	2.003	70	20	DEID	
CCN(Cc1ccccc1)C(=O)[C@@H](C)N(C)C[C@H](O)C1CC1	160783294	CLOSLPTYHHNHJQ-PBHICJAKSA-N	304.434	2.126	70	20	DEID	
CN[C@H]1CCN(C(=O)c2cn(C)nc2-c2ccccc2Cl)C1	160805115	BTHARELICMLKLF-NSHDSACASA-N	318.808	2.174	70	20	DEID	
Cc1noc(-c2ccccc2C(=O)N[C@@H]2CCC[C@@H](N)C2)n1	160831875	KQMQDKNDPQNROM-VXGBXAGGSA-N	300.362	2.045	70	20	DEID	
COC(=O)N(C)Cc1ccc(NC(=O)CCNC(C)C)cc1	160950750	LELKBEUFCIMTSN-UHFFFAOYSA-N	307.394	2.211	70	20	DEID	
CCOCCCN1CCN(C(=O)Cc2ccccc2Cl)CC1	159659649	PQNMOFYZCTZEJZ-UHFFFAOYSA-N	324.852	2.453	70	20	DEID	
CC[C@@H](NC(=O)Nc1ccc(C(=O)N(C)C)cc1)[C@@H]1CCCO1	159673349	FOQVZSXRXZUICO-CABCVRRESA-N	319.405	2.468	70	20	DEID	
CCN(CC(C)C)C(=O)CCc1c(C)nc2cc(O)nn2c1C	159924509	YZGLOTNXXCOWRT-UHFFFAOYSA-N	318.421	2.489	70	20	DEID	
COc1cccnc1N(C)S(=O)(=O)c1ccc(F)c(C)c1	159545575	LYLKEAKKSDPKNL-UHFFFAOYSA-N	310.350	2.363	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)c1c(-c2ccncc2)noc1C	159556017	SVDJKOUJMKIOKZ-SNVBAGLBSA-N	317.345	2.117	70	20	DEID	
COC[C@@H](C)[C@H](C)C(=O)Nc1ccc(S(=O)(=O)F)cc1	460093647	OJXSMVGVEZADGA-ZJUUUORDSA-N	303.355	2.202	70	20	DEID	
CCc1c(C(=O)Nc2cccc(S(=O)(=O)F)c2)ccn1C	460087748	BDYQEJZQJAPXKC-UHFFFAOYSA-N	310.350	2.498	70	20	DEID	
CC(C)(C)[C@@](C)(C#N)NC(=O)c1cccc(S(=O)(=O)F)c1	1121181326	TXRNGNRZJJPYNN-CQSZACIVSA-N	312.366	2.403	70	20	DEID	
CC(C)C(CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(C)C	1354885442	LWHQVLNTFNQJFS-UHFFFAOYSA-N	304.387	2.331	70	20	DEID	
Cc1cccc([C@H](C)CNC(=O)C(=O)Nc2nocc2C)c1	161370502	UQZFKFUVUCGTKC-LLVKDONJSA-N	301.346	2.150	70	20	DEID	
Cc1nc2ncnn2c(C)c1CCC(=O)N1[C@@H](C)CC[C@@H]1C	161423970	SUDHQLVNDMYQEI-QWRGUYRKSA-N	301.394	2.073	70	20	DEID	
COc1ccc(F)cc1[C@@H](C)NC(=O)[C@H]1CCn2ccnc2C1	160094722	KAGLGPJUJCUJHC-NEPJUHHUSA-N	317.364	2.471	70	20	DEID	
Cc1nc2ccc(NC(=O)NCC3(CO)CCOCC3)cc2o1	160104264	FCLYHSHEUOSDSK-UHFFFAOYSA-N	319.361	2.047	70	20	DEID	
O=C(CCc1ccc(F)cc1F)NC[C@@H]1CCN(C2CC2)C1	160143404	BMQRVIXYURKDNO-LBPRGKRZSA-N	308.372	2.498	70	20	DEID	
O=C(NC[C@@H](O)CN1CCCCC1)c1csc2ccccc12	160450860	HNWDKWKZZQLGKT-CYBMUJFWSA-N	318.442	2.478	70	20	DEID	
CCc1sc(C(=O)N2CC[C@H]3NC(=O)CC[C@H]3C2)cc1C	160575208	KSYDZJSHDUOMMR-NWDGAFQWSA-N	306.431	2.360	70	20	DEID	
CCC[C@H](O)CNC(=O)c1ccc(-n2cnc3ccccc32)nc1	160764821	FVQCQNADMRKFJN-AWEZNQCLSA-N	324.384	2.311	70	20	DEID	
O=C(C[C@H]1CCCN1)N[C@@H](Cc1ccccc1)C(F)(F)F	160836711	PACCGNOWHUOZJH-OLZOCXBDSA-N	300.324	2.418	70	20	DEID	
CCCN(C)C(=O)C(=O)Nc1cnn(-c2ccccc2F)c1C	160883162	FPYKCVONMDWGNG-UHFFFAOYSA-N	318.352	2.127	70	20	DEID	
CCCCN(C)CCNC(=O)N1CCC[C@@H](N2CCCC2)CC1	159808161	QHWHCOSUUMQSPS-QGZVFWFLSA-N	324.513	2.378	70	20	DEID	
COCCN(CC(C)C)C(=O)Nc1ccnn1C[C@@H]1CCOC1	159616131	UUEUPVIFGNSALF-AWEZNQCLSA-N	324.425	2.056	70	20	DEID	
Cc1cc(C)cc(NC(=O)N(CCS(C)(=O)=O)C2CC2)c1	159926640	IXXHQYKCUSUCII-UHFFFAOYSA-N	310.419	2.344	70	20	DEID	
COC[C@@H](NC(=O)Nc1ccc(C(=O)NC(C)C)cc1)C1CC1	159362047	UKXRGDWNHIHHKD-OAHLLOKOSA-N	319.405	2.371	70	20	DEID	
CCN(CCS(C)(=O)=O)C(=O)Nc1cccc2c1CCCC2	159960882	GWHKMEGYTNIUGG-UHFFFAOYSA-N	324.446	2.464	70	20	DEID	
CCN1CCCN(C(=O)NCCc2ccc(F)cc2C)CC1	159963414	PGWGHGPMDWHIPF-UHFFFAOYSA-N	307.413	2.414	70	20	DEID	
CC(C)n1nccc1C(=O)NCCOc1ccc(Cl)cn1	159396107	PVWDVBQAFQKCHA-UHFFFAOYSA-N	308.769	2.321	70	20	DEID	
CNS(=O)(=O)c1ccc(CN2C[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2)cc1	216634040	BOQXFHIDFVLDSU-OTRWWLKZSA-N	320.458	2.073	70	20	DEID	
CS(=O)(=O)NCC[C@H]1CCCCN1CCC1CCCC1	159397752	ZYBDXQJBNLHCFC-OAHLLOKOSA-N	302.484	2.361	70	20	DEID	
COC[C@@H](C)CC(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	857674738	OEBIGDZLDXPNOY-QMMMGPOBSA-N	307.318	2.095	70	20	DEID	
O=C(Nc1ccc(F)c(CS(=O)(=O)F)c1)[C@H]1CCSC1	876319385	VIZDTLWIXNKBIG-QMMMGPOBSA-N	321.370	2.317	70	20	DEID	
CCN(CCSC)C(=O)c1ccc(S(=O)(=O)F)cc1	1119480209	QAVCJMOEUUQHFC-UHFFFAOYSA-N	305.396	2.170	70	20	DEID	
CSSCCNC(=O)c1cccc(S(=O)(=O)F)c1	1338820333	YPNZIBIKZYZADJ-UHFFFAOYSA-N	309.409	2.086	70	20	DEID	
C[C@H](O)C[C@H]1CCCCCN1c1ccc(S(=O)(=O)F)cn1	1550621747	CGAAICXQRKWEHX-NWDGAFQWSA-N	316.398	2.260	70	20	DEID	
CS[C@@H](C)CC(=O)NCC(=O)N1CCCc2ccccc21	161043761	HFCPKECGXZUROU-LBPRGKRZSA-N	306.431	2.224	70	20	DEID	
COc1ccc(F)cc1NC(=O)c1cnc2c(c1)ncn2C	161064232	ULFFYRSJDFRKEF-UHFFFAOYSA-N	300.293	2.368	70	20	DEID	
Cn1ccnc1[C@H](NC(=O)[C@@H]1CCCCO1)c1cccc(F)c1	160319000	OAPQKVUZSMCRMS-LSDHHAIUSA-N	317.364	2.334	70	20	DEID	
Cc1cccc(OC[C@H](C)NC(=O)[C@@H]2CCn3ccnc3C2)c1	160356994	YCKMAEFPCVAJHF-LSDHHAIUSA-N	313.401	2.338	70	20	DEID	
CC(C)NC(=O)c1ccc(C(=O)NCCN2CCCCC2)cc1	160486287	FMPLLTRYQPJDFV-UHFFFAOYSA-N	317.433	2.041	70	20	DEID	
C[C@H](CC(=O)NC[C@H](O)CN1CCCCC1)c1cccc(F)c1	160514673	ZZEMEFVSUJMEMB-PBHICJAKSA-N	322.424	2.282	70	20	DEID	
COc1ccc([C@@H](C)N[C@H]2CCc3nc(C)nn3C2)c(OC)c1	160520010	FCMRPRYIUAIWDK-YPMHNXCESA-N	316.405	2.269	70	20	DEID	
O=C1NCCN(Cc2cnc3ccccn23)[C@@H]1c1ccccc1	160536791	QXJYMSCENIDXGL-QGZVFWFLSA-N	306.369	2.007	70	20	DEID	
O[C@H]1CCCC[C@@H]1CNC1CCN(Cc2cccnc2)CC1	160644380	BNPVMAGOXZQBQQ-AEFFLSMTSA-N	303.450	2.187	70	20	DEID	
NC(=O)C1(NC(=O)C2C3CC4CC(C3)CC2C4)CCCCC1	160714958	KBNDNGFAYCOJTM-UHFFFAOYSA-N	304.434	2.363	70	20	DEID	
CN(C[C@H](O)C1CC1)[C@@H]1CCN(c2cccc(Cl)c2)C1=O	160794668	LTVUSJLCVFEMEZ-CABCVRRESA-N	308.809	2.148	70	20	DEID	
CCN(CC)C(=O)CSc1nc(C(C)C)nc(N(C)C)n1	160835683	IXEKESQTKOTIKW-UHFFFAOYSA-N	311.455	2.022	70	20	DEID	
COC(=O)[C@@H](NC(=O)COc1ccc2c(c1)CCCC2)C(C)C	160863836	UFDLTUKHCQPULT-KRWDZBQOSA-N	319.401	2.258	70	20	DEID	
NC(=O)[C@H](NC1CC=CC1)c1ccc(Br)cc1F	160891263	YVRYRYXDYJJUCM-GFCCVEGCSA-N	313.170	2.423	70	20	DEID	
COc1ccc2c(c1)C=C(C(=O)N(C)Cc1cccn1C)CO2	160915773	PHSHLHUZRNAQQP-UHFFFAOYSA-N	312.369	2.468	70	20	DEID	
CC(C)COC[C@@H](O)CN1CCO[C@]2(CCc3ccccc32)C1	159424284	ZKDVAPJSHHGMTQ-PKOBYXMFSA-N	319.445	2.194	70	20	DEID	
Cc1c(CNC(=O)N[C@@H](C)CCc2ccc(O)cc2)cnn1C	159429782	PNCAZOHHBDNPMP-LBPRGKRZSA-N	316.405	2.255	70	20	DEID	
COc1ccc(N(C)C(=O)Cn2c(C)c(C)sc2=O)cc1F	159839121	PCOMUOFKIQOPLL-UHFFFAOYSA-N	324.377	2.337	70	20	DEID	
Cc1cc(NC(=O)[C@@H](C)NC(=O)CC2CCCCC2)c[nH]c1=O	159647082	RJQCQWBPWPXGAO-GFCCVEGCSA-N	319.405	2.097	70	20	DEID	
CCC[C@@H](N)C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1	159651545	ARADMJGJGFLTNQ-GFCCVEGCSA-N	322.796	2.176	70	20	DEID	
O=C(NCCc1nnc(-c2ccccc2)o1)N1CCSCC1	159914606	TZIFZIVPXCNEPE-UHFFFAOYSA-N	318.402	2.038	70	20	DEID	
C[C@@H]1CN(C(=O)Nc2ccc(C(C)(C)C(N)=O)cc2)CCS1	159920448	PWAPJNJWRRDHNP-LLVKDONJSA-N	321.446	2.419	70	20	DEID	
COC(=O)c1csc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C)c1	159759241	DDJREGBYHWQENY-GXSJLCMTSA-N	324.402	2.168	70	20	DEID	
O=C(CCOCc1ccccc1)N[C@@H](CO)Cc1ccccc1	159931195	GCWMTOLJMLUIEE-GOSISDBHSA-N	313.397	2.313	70	20	DEID	
COc1ncccc1C(=O)Nc1cccc(S(=O)(=O)F)c1	460092288	LHEFOWOHRICZRJ-UHFFFAOYSA-N	310.306	2.001	70	20	DEID	
O=C(OCCC(F)(F)F)c1cccc(S(=O)(=O)F)c1	1332352350	PRDXGWXJVWOCEQ-UHFFFAOYSA-N	300.229	2.454	70	20	DEID	
CCS(=O)(=O)C[C@H](C)N(C)C(=O)C1CCC(C)(C)CC1	160360690	GMXDKYKEQQNDOE-LBPRGKRZSA-N	303.468	2.484	70	20	DEID	
N[C@H]1CCC[C@H](NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)C1	161112886	VHGDUMCEVOTSGE-STQMWFEESA-N	302.353	2.216	70	20	DEID	
C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)COC[C@@H]1CCCO1	161219478	JPMQWLYVNXLASL-DOMZBBRYSA-N	323.364	2.099	70	20	DEID	
Cc1sc2nc(CN3C[C@H](C)OC[C@@H]3C)[nH]c(=O)c2c1C	161375816	XKZJHXYINGEBJS-IUCAKERBSA-N	307.419	2.211	70	20	DEID	
CNC[C@@H]1CCCN1C(=O)c1ccc(C(=O)c2cc[nH]c2)cc1	161388978	UAYGCQYJEIJRIE-INIZCTEOSA-N	311.385	2.070	70	20	DEID	
Cc1ccc(C(=O)Nc2ccccc2N(C)S(C)(=O)=O)cn1	161393552	UAPIQHGWWFDTDF-UHFFFAOYSA-N	319.386	2.038	70	20	DEID	
Cc1ccc(NC(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)cn1	161492131	CSJQVTBNRBIJOG-CQSZACIVSA-N	316.405	2.160	70	20	DEID	
COc1cccc2c1CC[C@H]2NC(=O)NCCN1CCCCC1	160277802	KZWDHBSNQLHHLP-MRXNPFEDSA-N	317.433	2.468	70	20	DEID	
CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N(C)Cc1cccn1C	160935237	UAIDGBVPCSHQNA-OAHLLOKOSA-N	317.389	2.031	70	20	DEID	
CS[C@H]1CC[C@H](NC(=O)c2cccc(S(=O)(=O)F)c2)C1	1121035594	NHABUTQNWXZKNA-QWRGUYRKSA-N	317.407	2.359	70	20	DEID	
C[C@@H](NC(=O)C(=O)Nc1cccc2[nH]ccc12)C1CCOCC1	161132164	ZDBYAXWHJDATMV-LLVKDONJSA-N	315.373	2.038	70	20	DEID	
CCOC(=O)c1c(C)oc2nc(CN3CCC[C@@H]3C)nc(N)c12	161333013	YFBUDNDKCDFLON-VIFPVBQESA-N	318.377	2.274	70	20	DEID	
COCc1nc2n(n1)C[C@@H](Nc1cc(C)nc(C(C)C)n1)CC2	161373129	BRAKKUCGHGGJSA-LBPRGKRZSA-N	316.409	2.073	70	20	DEID	
C[C@@H](C(=O)N(C)C)N(C)CCCc1cc(-c2ccccc2)n[nH]1	161389208	RXHIDUARKCYROX-AWEZNQCLSA-N	314.433	2.418	70	20	DEID	
Cc1ccc2cccc(NC(=O)C(=O)NCCn3cccc3)c2n1	160113360	WJOKJCRBCWSUJT-UHFFFAOYSA-N	322.368	2.100	70	20	DEID	
CCCCn1ncc(NS(=O)(=O)C[C@H]2CCCCO2)c1C	160136798	ZUJFTLBUSSMSGX-CYBMUJFWSA-N	315.439	2.302	70	20	DEID	
CSc1ccsc1C(=O)NC[C@@H](O)CN1CCCCC1	160325198	AOPKHAXDBLHGDN-LLVKDONJSA-N	314.476	2.047	70	20	DEID	
CCOCCC1(CNC(=O)c2ccc(C(N)=O)cc2)CCC1	160665280	GNDKLCQRWHFGBP-UHFFFAOYSA-N	304.390	2.112	70	20	DEID	
CC[C@@](C)(NC(=O)N[C@H](C)Cn1ccnc1)c1nccs1	160795904	QVFWORCQWSYNHV-BXUZGUMPSA-N	307.423	2.353	70	20	DEID	
COC[C@H](O)CCNC(=O)c1ccc(OCCC(C)C)cc1	160983338	SDUDECYJBFACMA-OAHLLOKOSA-N	309.406	2.239	70	20	DEID	
COC(=O)C[C@@H](C)S[C@H]1CCCN(CC(F)(F)F)C1=O	159812631	AOXLFYKAAYDQCR-BDAKNGLRSA-N	313.341	2.225	70	20	DEID	
CCC(CC)C(=O)N1CCC(NC(=O)CO[C@@H](C)CC)CC1	159549570	XXRWIXIRVKILSF-ZDUSSCGKSA-N	312.454	2.345	70	20	DEID	
O=C(NCc1ncc[nH]1)c1cc(F)c(F)cc1Br	159744449	BKGSJOVVLXLQGO-UHFFFAOYSA-N	316.105	2.380	70	20	DEID	
COC(=O)c1ccc(CSCCCS(C)(=O)=O)s1	159765732	PPIZVYNNVFGULO-UHFFFAOYSA-N	308.446	2.203	70	20	DEID	
CC(C)N1CC[C@H](Nc2ccccc2O[C@@H]2CCOC2)C1=O	159962806	RVYMWFMGHUNLJY-HIFRSBDPSA-N	304.390	2.276	70	20	DEID	
Cc1ccc(NC(=O)[C@@H]2CCO[C@H]2C)cc1S(=O)(=O)F	857675663	WVCUXMBAWQSFBW-GXSJLCMTSA-N	301.339	2.017	70	20	DEID	
O=C(Nc1cccc2nonc12)c1ccc(S(=O)(=O)F)cc1	864242094	UZYCBKSOUYCNTK-UHFFFAOYSA-N	321.289	2.133	70	20	DEID	
CS[C@@H]1CC[C@@H](NC(=O)c2cccc(S(=O)(=O)F)c2)C1	1121035592	NHABUTQNWXZKNA-GHMZBOCLSA-N	317.407	2.359	70	20	DEID	
C#C[C@@H](NC(=O)CCc1ccc(S(=O)(=O)F)cc1)C(C)C	1340730797	NUIMEYCOOSBZEJ-CQSZACIVSA-N	311.378	2.051	70	20	DEID	
Cc1cccc2ncnc(NCCC(=O)NCc3ccccn3)c12	161021912	AYYLFBHEOARLIX-UHFFFAOYSA-N	321.384	2.452	70	20	DEID	
NC(=O)NC1(C(=O)N2CCCCC[C@H]2c2ccccc2)CC1	161105270	LNVHNCKAWOXFEY-AWEZNQCLSA-N	301.390	2.331	70	20	DEID	
CC(C)c1ccc(C(=O)NCCCN2C[C@H](C)O[C@H](C)C2)cn1	161405245	NEIFPRFLFUALOD-GASCZTMLSA-N	319.449	2.434	70	20	DEID	
O=S(=O)(Cc1cc(-c2ccccc2)on1)C1CCOCC1	160082013	RAEXXJOJXFUIDF-UHFFFAOYSA-N	307.371	2.435	70	20	DEID	
O=C(Nc1ncn(Cc2ccc(Cl)cc2)n1)[C@@H]1CCCO1	160116361	GARJCOYSPHLWKO-LBPRGKRZSA-N	306.753	2.097	70	20	DEID	
CC(C)(CO)CNC[C@@H](O)COc1ccc(Cl)c(Cl)c1	160159156	XIYKULSUEGUKHL-SNVBAGLBSA-N	322.232	2.341	70	20	DEID	
C[C@@]1(O)CCCN(C(=O)NC[C@H]2CCN(c3ccccc3)C2)C1	160443420	OWHHTZPBFFYDRX-CRAIPNDOSA-N	317.433	2.069	70	20	DEID	
CCc1cc(N(C)Cc2nc3ccsc3c(=O)[nH]2)nc(C)n1	160647584	NGQCIILEYJWFSH-UHFFFAOYSA-N	315.402	2.282	70	20	DEID	
NC(=O)c1cccc(NC(=O)c2csc([C@@H]3CCCO3)n2)c1	160686674	DAHLRFUAHBSIJR-LBPRGKRZSA-N	317.370	2.346	70	20	DEID	
Cc1ccccc1C(=O)NC1CCN([C@H]2CCCC[C@@H]2O)CC1	160691896	HDNZEOJQIJEPJB-ROUUACIJSA-N	316.445	2.493	70	20	DEID	
COC[C@H](O)CCNC(=O)C[C@H](c1ccccc1)C(F)(F)F	160806676	QKPXKTXAAVVANY-CHWSQXEVSA-N	319.323	2.236	70	20	DEID	
CC(=O)c1cccc(O[C@H](C)C(=O)Nc2c[nH]c(=O)c(C)c2)c1	159546111	XRCOSILJCXWDMU-GFCCVEGCSA-N	314.341	2.292	70	20	DEID	
Cc1ccc(CNC(=O)[C@@H](C)SCCN2CCOCC2)cc1	159963377	DAWWEAYFIBWDNY-OAHLLOKOSA-N	322.474	2.065	70	20	DEID	
Cc1nccn1CCCN(C)C(=O)c1cccc(-c2ncn[nH]2)c1	159382916	NFGMAVBUXSJHHE-UHFFFAOYSA-N	324.388	2.139	70	20	DEID	
CC(C)N(C)C(=O)CN1CCO[C@]2(CCc3ccccc32)C1	159589311	CHQBQYOZBPCRPM-GOSISDBHSA-N	302.418	2.027	70	20	DEID	
CN(C)c1cncc(NC(=O)c2cccc(S(=O)(=O)F)c2)c1	1354885079	JVUWQCKHIRNJSR-UHFFFAOYSA-N	323.349	2.058	70	20	DEID	
COCCCCCOC(=O)c1ccc(S(=O)(=O)F)cc1	490536397	KXBTWMPXUPHYCI-UHFFFAOYSA-N	304.339	2.318	70	20	DEID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)NCC1CC(F)(F)C1	1340746235	WRKAAQAOXLGFOH-UHFFFAOYSA-N	321.320	2.428	70	20	DEID	
C#CCN(CC)C(=O)c1cc(S(=O)(=O)F)ccc1Cl	1516396031	TYZXLZBHNNPZIY-UHFFFAOYSA-N	303.742	2.094	70	20	DEID	
Cc1ccc(NC(=O)C(=O)N[C@@H](C)Cc2ccccc2F)cn1	161243215	OSCLKKSDXFKOKR-LBPRGKRZSA-N	315.348	2.215	70	20	DEID	
CC[C@@H](c1ccncc1)N(C)C(=O)C(=O)Nc1ccc(F)nc1	161251854	IFPGGPPTEREDCF-ZDUSSCGKSA-N	316.336	2.164	70	20	DEID	
CCOc1ccccc1C(=O)N1CCC(N[C@H](C)COC)CC1	160012602	MPLUKGOHZLQKGC-CQSZACIVSA-N	320.433	2.314	70	20	DEID	
Cc1c(/C=C/C(=O)N[C@@H](C)c2ccc3c(c2)CC(=O)N3)cnn1C	160015430	FJBJNRKKTRPLLU-ZRQQLDRUSA-N	324.384	2.114	70	20	DEID	
CC(=O)Nc1cccc([C@@H](C)N[C@@H]2CCc3nc(C)nn3C2)c1	160296069	BHJKOZXCIHRDBR-BDJLRTHQSA-N	313.405	2.211	70	20	DEID	
CCCC(=O)N1CCCC[C@H]1C(=O)N1CCCN(CCC)CC1	160368542	PCHFQDLQJNYKFX-INIZCTEOSA-N	323.481	2.112	70	20	DEID	
Cc1cccc(-n2cc(C(=O)N(C)Cc3ccccn3)nn2)c1	160631103	KIJNMSLUYLCVHI-UHFFFAOYSA-N	307.357	2.243	70	20	DEID	
CCCN(CC(=O)Nc1ccccc1OC)Cc1ccnn1C	160897511	SKLDVGZPTFQJOF-UHFFFAOYSA-N	316.405	2.279	70	20	DEID	
CN(CC1CCOCC1)C(=O)N[C@H]1CCCC[C@H]1n1cccn1	159627786	PHMNCANQMVLRDT-JKSUJKDBSA-N	320.437	2.435	70	20	DEID	
Cc1csc([C@H](C)CNC(=O)NOCc2cccnc2)n1	159629742	NYGQNDZSWDCZNO-SNVBAGLBSA-N	306.391	2.381	70	20	DEID	
Cc1ccc(CN2CCN(Cc3nc(C)c(C)o3)CC2)nc1	159877736	XDEWGCQAEGYFKF-UHFFFAOYSA-N	300.406	2.313	70	20	DEID	
CCCN(CC)CCNC(=O)N(C)[C@@H]1CCCc2c1cnn2C	159379785	GPQAWVIZWRHAAN-OAHLLOKOSA-N	321.469	2.171	70	20	DEID	
Cc1nn(C)c(C)c1[C@@H]1CCCN1Cc1nsc(N(C)C)n1	159999183	DFQMVRLQSJIHQS-LBPRGKRZSA-N	320.466	2.292	70	20	DEID	
CC[C@H](C)N(CC(=O)OC(C)(C)C)S(=O)(=O)CC(C)C	161170443	LQCOWECPDRXZMJ-LBPRGKRZSA-N	307.456	2.414	70	20	DEID	
C[C@@]1(c2ccccc2)C[C@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1263717412	FHCIVGUSEIFJCF-HIFRSBDPSA-N	322.361	2.133	70	20	DEID	
CO[C@@H]1C[C@H](N(C)c2ccc(S(=O)(=O)F)cn2)C12CCC2	1550625326	CFFAYTXZWGXXMP-NWDGAFQWSA-N	314.382	2.134	70	20	DEID	
CCCNC(=O)c1ccc(NC(=O)N[C@H]2CC[C@H](O)CC2)cc1	161122860	SVQJWFRZCLEDCX-GASCZTMLSA-N	319.405	2.251	70	20	DEID	
O=C([C@@H]1CCn2ccnc2C1)N1CC[C@H](Nc2ccccc2)C1	161155600	ZQSFYTUFZUJBSJ-ZBFHGGJFSA-N	310.401	2.159	70	20	DEID	
CCOC(=O)NCCCC(=O)Nc1cnc(C(C)(C)C)nc1	161305730	HHVGGWKPYVWOFN-UHFFFAOYSA-N	308.382	2.239	70	20	DEID	
COc1ccc(C(=O)Nc2[nH]nc(-c3ccc(C)o3)c2C)nn1	161415032	JNXVHVNNGBFGTJ-UHFFFAOYSA-N	313.317	2.337	70	20	DEID	
O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)NC1CCOCC1	160146777	AWWGPRKAISDDEB-OAHLLOKOSA-N	306.362	2.155	70	20	DEID	
O=C(Cc1cn2ccsc2n1)NCCc1cccc(O)c1	160156064	MCRLQVZNLVJSNC-UHFFFAOYSA-N	301.371	2.003	70	20	DEID	
CCCN(CCO)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1	160213943	UZCZFCUOGVYKCR-DOTOQJQBSA-N	319.449	2.063	70	20	DEID	
CC(C)(C)C[C@H](CO)NC(=O)Nc1ccn(CC(F)(F)F)n1	160312741	UFHMVLVCALXKNT-SECBINFHSA-N	322.331	2.364	70	20	DEID	
CN(C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1)[C@H]1CCOC1	160346609	DLVXBRXRYJLANW-DZGCQCFKSA-N	306.362	2.107	70	20	DEID	
CC[C@H](NC(=O)CCNC(=O)C(C)(C)C)c1c(C)noc1C	160396789	CJVOUBFMBAJQGM-LBPRGKRZSA-N	309.410	2.411	70	20	DEID	
COC(=O)c1cc(NC(=O)c2cnc3c(c2)ncn3C)ccc1C	160688122	NOYUGMWMHIXYDO-UHFFFAOYSA-N	324.340	2.316	70	20	DEID	
Nc1ccc2c(c1)CCC[C@@H]2NS(=O)(=O)c1cccnc1	159452481	FKRFFFZIMRYXSC-HNNXBMFYSA-N	303.387	2.020	70	20	DEID	
CC(C)[C@H]1OCCC[C@H]1CNC(=O)N(CCN(C)C)C(C)C	159463639	BHGVRBXYMPQYEX-JKSUJKDBSA-N	313.486	2.419	70	20	DEID	
C[C@@H]1OCCN(C(=O)NCc2cccc(CN(C)C)c2)[C@@H]1C	159900840	ZMBHFJICVKNSLW-KGLIPLIRSA-N	305.422	2.067	70	20	DEID	
COC(=O)c1csc(NC(=O)C(=O)NC2CCCCCC2)c1	159743715	XZZVQSMEPSLILA-UHFFFAOYSA-N	324.402	2.312	70	20	DEID	
COc1ccc(NC(=O)C(=O)N2CCC3(CCC3)C2)c(C)c1	159371500	SOEHTBSESSAZPG-UHFFFAOYSA-N	302.374	2.345	70	20	DEID	
CC1CCN([C@H](C)CNC(=O)NC2C[C@@H](C)O[C@H](C)C2)CC1	159785160	XYSJIQIOIWWPCH-RBSFLKMASA-N	311.470	2.362	70	20	DEID	
CC(C)c1ccc(S(=O)(=O)NCCSCCCO)cc1	161309973	ZBCVKQKOFJHWNH-UHFFFAOYSA-N	317.476	2.204	70	20	DEID	
CO[C@@H]1CCCC[C@H]1NC(=O)c1ccc(S(=O)(=O)F)cc1	864244433	WRRQERLUBCZOQK-CHWSQXEVSA-N	315.366	2.032	70	20	DEID	
N#CCN(C(=O)Cc1ccc(S(=O)(=O)F)cc1)C1CCCC1	1338731474	VZJDMRHUSLKURY-UHFFFAOYSA-N	324.377	2.182	70	20	DEID	
COC[C@H](O)CCNC(=O)[C@H](C)Oc1ccc(C(C)C)c(C)c1	161002297	BKCQLTWFRGHSDC-LSDHHAIUSA-N	323.433	2.399	70	20	DEID	
CCNCC1CCN(C(=O)[C@H](C)Cc2c(C)nn(C)c2C)CC1	161148897	ZUSCVVQCQJGWGL-CYBMUJFWSA-N	320.481	2.064	70	20	DEID	
CC(C)OC(=O)CCCNC(=O)N1CCc2ccccc2C1	160040758	SHNPDIHCMLCVFL-UHFFFAOYSA-N	304.390	2.486	70	20	DEID	
CCCCNC(=O)NC(=O)CN1CCC[C@H]1c1cccc(C)n1	160305798	GNYKYVNDIDNNPJ-HNNXBMFYSA-N	318.421	2.153	70	20	DEID	
Cc1nc(C)c(C(=O)N2CCOC[C@H]2[C@@H]2CCCCC2=O)s1	160472060	CAXQNZCZIXOYGD-STQMWFEESA-N	322.430	2.360	70	20	DEID	
Cc1ncsc1C(=O)N1CCOC[C@@H]1[C@H]1CCCCC1=O	160587678	IIFFIUJKXYXHNK-VXGBXAGGSA-N	308.403	2.052	70	20	DEID	
Cc1nn(C)c(C)c1CCC(=O)NC[C@H]1CCCN1CC(C)C	160599502	KKZNDAKGSAKGQS-MRXNPFEDSA-N	320.481	2.206	70	20	DEID	
CN(C(=O)CCC(=O)NC1CCCC1)c1ccc2c(c1)OCO2	160632392	GFINHVYWGDQNHK-UHFFFAOYSA-N	318.373	2.217	70	20	DEID	
CN(Cc1ccc(OC(F)(F)F)cc1)Cc1nncn1C	160758656	PNKVROCAOIWJIE-UHFFFAOYSA-N	300.284	2.346	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)c1ccc(N2CCCC2)c(F)c1	160805064	LZNYPNBZLSQZFN-GFCCVEGCSA-N	322.380	2.497	70	20	DEID	
COC(=O)[C@@H](C)CN(C(=O)COc1cc(C)ccc1F)C1CC1	160908501	JFVQWPHQELJQRM-LBPRGKRZSA-N	323.364	2.313	70	20	DEID	
Cc1ccccc1[C@@H](C)NCCCCN1CCN(CCO)CC1	159634856	MSUZGCBHLFYMRL-GOSISDBHSA-N	319.493	2.036	70	20	DEID	
CCOC(=O)N1CCC(NC(=O)N2CC[C@@H](C)[C@H](C)C2)CC1	159635026	NEEMQSGAIFQACM-CHWSQXEVSA-N	311.426	2.295	70	20	DEID	
CC(=O)N1CC[C@H](NC(=O)c2ccc(OCCC(C)C)cc2)C1	159672258	OONNLDBOGIQPSF-INIZCTEOSA-N	318.417	2.462	70	20	DEID	
CC1CCN(CCNC(=O)[C@H](O)c2ccccc2Cl)CC1	159518698	MFVZLSBWVAOWEM-OAHLLOKOSA-N	310.825	2.222	70	20	DEID	
CC(C)C[C@H](Cc1ccccc1)C(=O)NCCS(=O)(=O)F	2088604580	QTLZYCMROQGQFE-CQSZACIVSA-N	315.410	2.307	70	20	DEID	
Cc1ccc2c(c1)CCN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C2	1349547229	UOQYRLPJZMITNO-UHFFFAOYSA-N	322.361	2.180	70	20	DEID	
CC(C)[C@@H](C(=O)NC1CC=CC1)n1nnc(-c2ccccc2)n1	161016237	RMVPSPWOCRGSKF-HNNXBMFYSA-N	311.389	2.372	70	20	DEID	
COCCC1(CNC(=O)NCCCNc2ccccn2)CCC1	161035315	SQVVYMATZAOGBP-UHFFFAOYSA-N	320.437	2.390	70	20	DEID	
CC(C)(O)[C@H]1CCCN1S(=O)(=O)c1c(F)cc(F)cc1F	161130738	PHIBTPPMEUYVMP-LLVKDONJSA-N	323.336	2.028	70	20	DEID	
CCCOc1ccc(CNC(=O)c2cccc(=O)n2C)cc1	160005109	ADEFYLCVWMVSCH-UHFFFAOYSA-N	300.358	2.104	70	20	DEID	
Cc1noc(Cl)c1CC(=O)NCCc1nc2ccccc2[nH]1	160036348	YVOLNJYXTJMVBB-UHFFFAOYSA-N	318.764	2.414	70	20	DEID	
CC[C@@H](NC(=O)CCCN(C)C(=O)OC)c1c(C)noc1C	160082959	HWTZXNBAWDATGQ-GFCCVEGCSA-N	311.382	2.337	70	20	DEID	
Cc1nn2cccnc2c1C(=O)N(C)c1ccc2c(c1)OCO2	160148094	SOOFQQUTBIYUOL-UHFFFAOYSA-N	310.313	2.043	70	20	DEID	
CN(C)[C@@H](CNC(=O)N1CCC[C@@](C)(O)C1)C1CCCCC1	160299573	UOCHOZCHTBVEJV-DOTOQJQBSA-N	311.470	2.053	70	20	DEID	
CC(C)(C)C(=O)NCc1ccc(C(=O)Nc2cn[nH]c2)cc1	160401115	YOXKZUDAQZCMQQ-UHFFFAOYSA-N	300.362	2.324	70	20	DEID	
COc1ccc(C(=O)N2CCOC[C@H]2[C@H]2CCCCC2=O)cc1	160643198	TYZWEPFPTOHIHO-CVEARBPZSA-N	317.385	2.296	70	20	DEID	
Cc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1N	160961856	NYCFUJIZSKXUER-HUUCEWRRSA-N	324.446	2.005	70	20	DEID	
Cc1c(/C=C/C(=O)N[C@@H](C)CN2C[C@@H](C)C[C@H](C)C2)cnn1C	160993919	USRMPPIOIIASQI-YTCPFPDASA-N	318.465	2.224	70	20	DEID	
Cc1c(CCC(=O)N[C@H](C)CN2C[C@@H](C)C[C@H](C)C2)cnn1C	159447109	KBPYARNBISKAJJ-SOUVJXGZSA-N	320.481	2.144	70	20	DEID	
CC(=O)N1CC[C@H](NC(=O)[C@@H](C)CCc2cccc(F)c2)C1	159849655	RTPAULIMLPWMIO-LRDDRELGSA-N	306.381	2.131	70	20	DEID	
COC(=O)[C@H](C)NC(=O)c1cncc(-c2ccc(OC)cc2)c1	159872811	JJYUNTADDDYJBQ-NSHDSACASA-N	314.341	2.049	70	20	DEID	
C[C@@H](C(=O)Nc1cccc(Br)c1)N(C)C[C@@H](C)O	159503932	SOCPQFFLTBOFMD-ZJUUUORDSA-N	315.211	2.089	70	20	DEID	
COc1ccc(N(C)C(=O)[C@@H](C)OC[C@H]2CCCO2)cc1F	159708095	DOBNASUVPRFXQZ-DGCLKSJQSA-N	311.353	2.381	70	20	DEID	
CC(=O)N1CC[C@@H](NC(=O)c2ccc3ccc(Cl)cc3n2)C1	159756273	NUOTVXMTOGLVRL-CYBMUJFWSA-N	317.776	2.239	70	20	DEID	
COc1c(C(=O)NC2CCC(OC(C)C)CC2)c(C)nn1C	159370153	PNOTXNHDLRHWCS-UHFFFAOYSA-N	309.410	2.203	70	20	DEID	
CCCNC(=O)Nc1ccc(CC(=O)NCC(F)(F)F)cc1	159577926	BLPQZJBHZZPPDS-UHFFFAOYSA-N	317.311	2.439	70	20	DEID	
C[C@@H](C(=O)N1CCC(NCC2CC2)CC1)[C@H](N)c1ccccc1	159787870	BVLIVLQJSOLORY-KDOFPFPSSA-N	315.461	2.313	70	20	DEID	
CN(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)F)cc2)cn1	123062973	JHWUEPLEYXPYGF-UHFFFAOYSA-N	323.349	2.058	70	20	DEID	
CO[C@H](C)CCC(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	857674278	HHURUOIBCIADMV-MRVPVSSYSA-N	307.318	2.238	70	20	DEID	
COCCC1(CNC(=O)N(C)CC[C@H]2CCCCN2C)CC1	161089685	UYTKHFPQYFNZEL-OAHLLOKOSA-N	311.470	2.319	70	20	DEID	
COC(=O)[C@](C)(NC(=O)Cc1cc(F)c(F)cc1F)C1CC1	161290626	WHMQSHZWECFQHD-OAHLLOKOSA-N	315.291	2.104	70	20	DEID	
CN(C(=O)Nc1ccc(O[C@H]2CCOC2)cc1)[C@@H]1CCOC1	160346752	DLVXBRXRYJLANW-HIFRSBDPSA-N	306.362	2.107	70	20	DEID	
COC(=O)CCN(C(=O)Cc1cc(F)c(F)cc1F)C(C)C	160353228	ZWIWEWAAYDRQGR-UHFFFAOYSA-N	317.307	2.447	70	20	DEID	
CN(Cc1cccc(N(C)C)c1)C(=O)CN(C)[C@H]1CCSC1	160613759	RUWSVQDGEYSNMS-INIZCTEOSA-N	321.490	2.148	70	20	DEID	
O=C(Nc1cccc(F)n1)c1ccnc(O[C@@H]2CCOC2)c1	160656141	QLFFXWWLFYXOOR-LLVKDONJSA-N	303.293	2.036	70	20	DEID	
CN(CCc1ccncc1)C(=O)N[C@H]1[C@@H]2CCO[C@@H]2C12CCC2	160936934	LBWUJTQBWMOBES-JYJNAYRXSA-N	315.417	2.223	70	20	DEID	
Cc1nc(COC(=O)[C@H](C(C)C)N2CCCC2=O)c(C)s1	160998219	QFMWTXRRLVMMJD-AWEZNQCLSA-N	310.419	2.450	70	20	DEID	
C[C@H]1CC(=O)CC[C@H]1C(=O)NCc1ccc(N2CCCC2)nc1	159754210	LXQMKFRYYSZYJR-XJKSGUPXSA-N	315.417	2.303	70	20	DEID	
CC(=O)N1CC[C@@H](NC(=O)c2cc(F)cc(C(F)(F)F)c2)C1	159568063	UYHOJCBGWORYDR-GFCCVEGCSA-N	318.270	2.195	70	20	DEID	
Cc1n[nH]cc1NC(=O)Nc1ccc(C(C)(C)C(N)=O)cc1	159962131	SZMFLLQSLUZTFO-UHFFFAOYSA-N	301.350	2.125	70	20	DEID	
CC(C)C[C@@H](CCO)CNC(=O)N[C@H]1CCO[C@H](C2CC2)C1	159787934	HZFFVZJMQUHJCT-KBMXLJTQSA-N	312.454	2.288	70	20	DEID	
Cc1nc(NC(=O)CCCNC(=O)c2cccnc2)sc1C	159984221	PTWODHNEZCPKET-UHFFFAOYSA-N	318.402	2.304	70	20	DEID	
C[C@H](NC(=O)N1CCO[C@H](c2cccc(O)c2)C1)[C@@H]1CCCO1	159799954	AKUMXCSDZLUKJF-RCBQFDQVSA-N	320.389	2.043	70	20	DEID	
CCCc1ccc(S(=O)(=O)N2CCc3ncncc3C2)cc1	218072962	ODASOBWQLCKGOF-UHFFFAOYSA-N	317.414	2.176	70	20	DEID	
C[C@@H]1c2ccccc2CCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1	1340081692	GQVKHECWSMIDAR-SNVBAGLBSA-N	322.361	2.432	70	20	DEID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N[C@@H]1CC[C@H](C#N)C1	1340767538	ABELORNCMPLTSJ-WDEREUQCSA-N	310.350	2.075	70	20	DEID	
Cc1ccc(C)c(-n2ncc(C(=O)N[C@@H]3CCC[C@H]3O)c2C)c1	161034939	XQEKPINPFQOHLQ-NVXWUHKLSA-N	313.401	2.441	70	20	DEID	
Cc1ccc(S(=O)(=O)NCCSCCCO)cc1Cl	161321120	ACXQDMAYDFNUGG-UHFFFAOYSA-N	323.867	2.042	70	20	DEID	
Cc1conc1NC(=O)C(=O)N(C)Cc1ccc(Cl)s1	160342021	PELMGHWVDQIUCJ-UHFFFAOYSA-N	313.766	2.295	70	20	DEID	
COc1ccccc1NC(=O)C(=O)Nc1cnn(CC(C)C)c1	160437451	UCFSPJRCFPCIRF-UHFFFAOYSA-N	316.361	2.125	70	20	DEID	
C[C@@]1(NC(=O)Nc2cccc(C(=O)N3CCCC3)c2)CCOC1	160443350	MHCOVJYHTJDNQZ-QGZVFWFLSA-N	317.389	2.223	70	20	DEID	
CC1(O)CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1	160620765	FDAPHHRQDKTTJW-UHFFFAOYSA-N	323.336	2.241	70	20	DEID	
CC[C@H](O)CCNC(=O)NCc1cccnc1OC1CCCC1	160961805	LPYLXVSJNZQHHH-AWEZNQCLSA-N	321.421	2.363	70	20	DEID	
COC[C@@H](NC(=O)Nc1ccccc1O[C@@H]1CCOC1)C1CC1	160993459	SJOWCUOEPCMDTH-UKRRQHHQSA-N	320.389	2.401	70	20	DEID	
CC[C@@H](NS(=O)(=O)c1cnn(C)c1)c1ccc(F)cc1F	159622820	NLLUSNRIIXDLJM-CYBMUJFWSA-N	315.345	2.128	70	20	DEID	
Cc1noc(C)c1C[C@@H](C)NS(=O)(=O)c1ccc(F)cc1	159828752	MHCODWAXYKFKKT-SECBINFHSA-N	312.366	2.340	70	20	DEID	
CN(Cc1nccn1Cc1ccccc1)c1ccnc(C(N)=O)c1	159705576	VWBUBSQQJOMCBB-UHFFFAOYSA-N	321.384	2.062	70	20	DEID	
Cc1cnc2c(c1)N(C(=O)c1cnc(C(F)(F)F)nc1)CCO2	159525065	MEJRZWGDNJTZBK-UHFFFAOYSA-N	324.262	2.238	70	20	DEID	
COC(=O)[C@H]1CCCN(C(=O)NC[C@H]2CCc3ccccc32)C1	159596133	ZOBSUSJJFRQHKF-CABCVRRESA-N	316.401	2.311	70	20	DEID	
O=S(=O)(NCC1(CO)CCCC1)c1cccc(Cl)c1F	160345643	CDIAWADERSZNPK-UHFFFAOYSA-N	321.801	2.310	70	20	DEID	
O=C(C[C@@H]1CCCCO1)Nc1cccc(S(=O)(=O)F)c1	460097599	WXVQZOMFRXDCPC-NSHDSACASA-N	301.339	2.243	70	20	DEID	
CC1=C(C(=O)Nc2cccc(S(=O)(=O)F)c2)SCCO1	297580255	BRFQEOBXNPHQMC-UHFFFAOYSA-N	317.363	2.278	70	20	DEID	
C[C@H](CNC(=O)CCc1ccc(S(=O)(=O)F)cc1)C1CC1	1338283008	USPGMQKCXSTSAX-LLVKDONJSA-N	313.394	2.440	70	20	DEID	
NC(=O)NC1(C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)CC1	161017531	RIFAPELDTZSIEP-GFCCVEGCSA-N	307.781	2.204	70	20	DEID	
Cc1cc(C)c(NC(=O)C(=O)N[C@@H](C)C2CCOCC2)c(C)c1	161081644	VANGGOYQTBOTAV-AWEZNQCLSA-N	318.417	2.482	70	20	DEID	
CC(C)n1nccc1C(=O)N1CCC(N2CCCCC2=O)CC1	161280111	SVWSIAPSROIVOE-UHFFFAOYSA-N	318.421	2.081	70	20	DEID	
Cc1cc(C(=O)NCC(C)(C)N2CCOCC2)cc(C)c1F	160330536	SFUVACJBVPDDMW-UHFFFAOYSA-N	308.397	2.283	70	20	DEID	
CCc1nc([C@H](C)NC(=O)c2cnc3c(c2)ncn3C)cs1	160472460	JNZIVBPWFPBXDR-VIFPVBQESA-N	315.402	2.478	70	20	DEID	
COC(=O)c1cccc(CC(=O)N2C[C@H](C)OC(C)(C)C2)c1	160486113	HNXUPXHIUOPCBO-LBPRGKRZSA-N	305.374	2.042	70	20	DEID	
C[C@@H](N[C@H](CN1CCCC1=O)c1ccccc1)c1cnn(C)c1	160714783	UZGBXBCEWSQDJN-RHSMWYFYSA-N	312.417	2.434	70	20	DEID	
CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)[C@@H]1CCCNC1	160832148	ODARJPPBAONTGS-WBVHZDCISA-N	322.424	2.343	70	20	DEID	
CC(C)(C(N)=O)c1ccc(NC(=O)NCc2ccncc2)cc1	159904529	YWIPAPRKDLGPBU-UHFFFAOYSA-N	312.373	2.166	70	20	DEID	
COc1cc(C(=O)NC[C@H](O)C(C)C)ccc1OC(F)F	159724420	PAPJPSNOMSCRGC-JTQLQIEISA-N	303.305	2.043	70	20	DEID	
CC(=O)N1CC[C@@H](CN(C)C(=O)NCC2CCC(C)CC2)C1	159927112	YRYHTBQGYRSEKQ-BCLQGDPASA-N	309.454	2.323	70	20	DEID	
O=S(=O)(NC[C@@H](O)C1CCCCC1)c1ccc2c(c1)CCC2	159531158	RAEZEVWXXINMON-QGZVFWFLSA-N	323.458	2.395	70	20	DEID	
C[C@H]1CC(=O)CC[C@@H]1C(=O)NCCN1CCc2ccccc2C1	159760914	DPEIOQGJXSDRBL-KSSFIOAISA-N	314.429	2.166	70	20	DEID	
O=C(Nc1cccc(S(=O)(=O)F)c1)C(F)(F)C(F)F	460092333	LIPKQDHHCRWYLB-UHFFFAOYSA-N	303.208	2.184	70	20	DEID	
O=C(Nc1ccc(F)c(CS(=O)(=O)F)c1)[C@@H]1CCCS1	876318598	GQZLCXLHQVUKDD-NSHDSACASA-N	321.370	2.459	70	20	DEID	
CC(C)(C)[C@@](C)(C#N)NC(=O)c1ccc(S(=O)(=O)F)cc1	889865842	BMZIWAATHMPEFW-CQSZACIVSA-N	312.366	2.403	70	20	DEID	
O=C(NCC1(c2ccccc2)CC1)c1cc(S(=O)(=O)F)c[nH]1	1347809979	PWVATHFJXFDKLU-UHFFFAOYSA-N	322.361	2.135	70	20	DEID	
CCc1ccc(NC(=O)C(=O)N[C@@H](C)C2CCOCC2)cc1	161063121	SQFZROWWTSDKGC-LBPRGKRZSA-N	304.390	2.119	70	20	DEID	
CCCN(CC1=Cc2ccccc2OC1)[C@H]1CCS(=O)(=O)C1	161096930	VLDAFTSDNHZMAK-INIZCTEOSA-N	321.442	2.362	70	20	DEID	
Cc1c(F)cccc1NC(=O)C(=O)N[C@@H](C)C1CCOCC1	161116183	OKFJJQLDCGXBKT-NSHDSACASA-N	308.353	2.004	70	20	DEID	
CC[C@H](C(=O)N[C@H](C)[C@@H]1CN(C)CCO1)c1ccc(F)cc1	161281722	IPJRQRNGWCEEQD-KCXAZCMYSA-N	308.397	2.155	70	20	DEID	
COCc1ccc([C@H]2CCCN2C(=O)c2cc[nH]c(=O)c2)o1	161313275	DIALVEBUAJYUAZ-CYBMUJFWSA-N	302.330	2.092	70	20	DEID	
COc1ccc2nc(C)cc(C(=O)NCc3ccnn3C)c2c1	160095639	WFNBILAVTYDOAN-UHFFFAOYSA-N	310.357	2.215	70	20	DEID	
CC(C)CCC(=O)NCC(=O)N[C@H]1CCOC2(CCCC2)C1	160131875	APQQUPFQXWONJK-AWEZNQCLSA-N	310.438	2.147	70	20	DEID	
CC(C)C[C@@H]1COCCN1C(=O)NCCCC(=O)OC(C)C	160176397	AOAPCKUJULAABB-CQSZACIVSA-N	314.426	2.175	70	20	DEID	
O=C(COCCOc1ccccc1)NCCc1cccc(O)c1	160200548	DBZRECRTWIMNJD-UHFFFAOYSA-N	315.369	2.147	70	20	DEID	
C[C@]1(O)CCCN(C(=O)Nc2ccc3oc(=O)ccc3c2)C1	160376990	JXBBMYYHIANCGB-INIZCTEOSA-N	302.330	2.172	70	20	DEID	
CCOCCCN1CCN(C(=O)c2c(F)cccc2F)CC1	160409228	DQHGAGJSARGLTL-UHFFFAOYSA-N	312.360	2.149	70	20	DEID	
CCC(N)(CC)CNC(=O)c1cn(-c2ccccc2Cl)nn1	160459512	LVBLKYDVSAFMFW-UHFFFAOYSA-N	321.812	2.168	70	20	DEID	
CC(C)(C)c1cnc([S@@](=O)CCCCS(C)(=O)=O)s1	160487755	RHHXMAJRJURDOX-GOSISDBHSA-N	323.505	2.373	70	20	DEID	
CCS(=O)(=O)c1cccc(CC(=O)N2CC[C@H](C)[C@@H]2C)c1	160753772	DLMQZGLCHNLXSX-STQMWFEESA-N	309.431	2.280	70	20	DEID	
CCCC1(CNC(=O)N[C@@H](C(N)=O)c2ccccc2)CCC1	159618339	UMMXAGKXAHOGDF-CQSZACIVSA-N	303.406	2.483	70	20	DEID	
CNC(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2	159819529	KFFJKAICNUZKOM-UHFFFAOYSA-N	320.190	2.483	70	20	DEID	
CC[C@H]1CCC[C@H]1NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1	159821198	RLRSTVTXIKDODV-KCQAQPDRSA-N	324.446	2.048	70	20	DEID	
CCCCn1ncc(NC(=O)NCC(C)(C)C(=O)NCC)c1C	159724173	XPHVOQOMOXBKAE-UHFFFAOYSA-N	323.441	2.275	70	20	DEID	
COc1cc(F)c([C@H](C)NC(=O)C2CCNCC2)cc1OC	159962559	IMRNMWILAUPPRO-JTQLQIEISA-N	310.369	2.020	70	20	DEID	
COCCC1(C(=O)Nc2ccc(S(=O)(=O)F)cc2)CC1	123002572	DATJAUBDHNXRBP-UHFFFAOYSA-N	301.339	2.100	70	20	DEID	
Cc1cc(NS(=O)(=O)C[C@@H]2CCCCO2)cnc1Cl	161015397	OZTBTHAODPNHIZ-NSHDSACASA-N	304.799	2.354	70	20	DEID	
CC(=O)[C@@H](C)CCOC(=O)c1ccc(S(=O)(=O)F)cc1	849794942	WMIPSSXURAXFLV-VIFPVBQESA-N	302.323	2.117	70	20	DEID	
CO[C@H](C)CCC(=O)Nc1ccc(F)c(CS(=O)(=O)F)c1	876319483	YSGFQPJYNHOELF-SECBINFHSA-N	321.345	2.379	70	20	DEID	
C[C@@H]1CCC[C@H]1CNC(=O)Cc1ccc(S(=O)(=O)F)cc1	1121121551	ZOSIUXVSDTUSFQ-YPMHNXCESA-N	313.394	2.440	70	20	DEID	
CC(C)[C@H](C)N(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CC1	1339471125	CQNYZMCDZQZRQR-VIFPVBQESA-N	302.371	2.322	70	20	DEID	
COc1ccc(COCCC(=O)N[C@@H](CO)CC(C)C)cc1	161126044	BKFNHOPGNPFCCN-OAHLLOKOSA-N	309.406	2.125	70	20	DEID	
CCNC(=O)C(C)(C)CNc1ncccc1-c1nc(C)no1	161374336	KTYMTNCCYTYSGH-UHFFFAOYSA-N	303.366	2.014	70	20	DEID	
Cc1conc1NC(=O)C(=O)N(C)[C@H](C)c1ccccc1F	160380832	MBZHKIDIYQROQS-SNVBAGLBSA-N	305.309	2.280	70	20	DEID	
CO[C@@H](C)c1nc(C)c(C(=O)N2C[C@@H]3CCC[C@H](C2)N3)s1	159609343	SIRPJYUTZDUZGD-SDDRHHMPSA-N	309.435	2.125	70	20	DEID	
CCN1CCCN(C(=O)NC[C@@H](C2CCCCC2)N(C)C)CC1	159623317	NWXGXSGCUHRNCG-KRWDZBQOSA-N	324.513	2.234	70	20	DEID	
Cc1cccc2c(=O)n(CC(=O)NCC3(C4CC4)CC3)cnc12	159827648	QUVTYOYROLZZML-UHFFFAOYSA-N	311.385	2.011	70	20	DEID	
CO[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccccc1OC(C)C	159883705	ABGMUBQVIRPXSO-TZMCWYRMSA-N	320.389	2.096	70	20	DEID	
C[C@@]1(NC(=O)Nc2ccc(N3CCCC3=O)cc2)CCOC1	159714594	YBXRIGFPDSYOGV-MRXNPFEDSA-N	303.362	2.114	70	20	DEID	
CC(=O)N1CC[C@@H](NC(=O)CCCCc2ccc(C)cc2)C1	159520618	PBRYPHNARLKTFX-QGZVFWFLSA-N	302.418	2.445	70	20	DEID	
C[C@@H](Cc1ccncc1)NC(=O)c1cccc(S(=O)(=O)F)c1	1120944762	XTNZKBIJLPNJFD-NSHDSACASA-N	322.361	2.101	70	20	DEID	
COc1ccc(C)nc1NC(=O)c1cccc(S(=O)(=O)F)c1	1518444346	PMSVLHISJCNJOG-UHFFFAOYSA-N	324.333	2.309	70	20	DEID	
Cc1cccc(NC(=O)[C@H](C)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1	161137967	AZYMSWUJFKOPHZ-QEJZJMRPSA-N	314.385	2.497	70	20	DEID	
CCOc1ccc(NC2CCC(NC(C)=O)CC2)cc1CO	161149518	NADOQPDEJWCKPN-UHFFFAOYSA-N	306.406	2.437	70	20	DEID	
COCCNCC(=O)Nc1ccc(OC2CCCC2)c(F)c1	161336198	SBWGZPOBCPTIRB-UHFFFAOYSA-N	310.369	2.322	70	20	DEID	
CC1=NN(CC(C)C)C(=O)[C@@H]1C(=O)Nc1ccc(F)c(F)c1	160119628	LMJFPWLSYQAJAK-ZDUSSCGKSA-N	309.316	2.394	70	20	DEID	
CNC(=O)c1cccc(NC(=O)N(C)CCc2nccs2)c1	160387623	GNEQGODVKFRELI-UHFFFAOYSA-N	318.402	2.209	70	20	DEID	
CSC[C@H](CCO)N[C@H](C)c1ccc(-n2cncn2)cc1	160408759	NGRNAZIDIXHDJV-OCCSQVGLSA-N	306.435	2.032	70	20	DEID	
CN(CCc1ccncc1)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2	160937071	LBWUJTQBWMOBES-OAGGEKHMSA-N	315.417	2.223	70	20	DEID	
N[C@@H]1CCC[C@H](NC(=O)Cc2csc(-c3ccoc3)n2)C1	160981952	ZYFAJSNZXBINEK-NEPJUHHUSA-N	305.403	2.332	70	20	DEID	
CC[C@H]1CCC[C@@H]1NC(=O)CCS(=O)(=O)C1CCCC1	159677288	RQQUUAZUURTTNI-JSGCOSHPSA-N	301.452	2.429	70	20	DEID	
Cc1nccc(NC(=O)NCCOC[C@@H]2CCCO2)c1Cl	159498402	ZGPFKZJBLVAZKO-NSHDSACASA-N	313.785	2.361	70	20	DEID	
CN(CC(C)(C)CN1CCOCC1)C(=O)c1cccc(F)c1	159916319	USCDFJODERLXDJ-UHFFFAOYSA-N	308.397	2.256	70	20	DEID	
Cc1nccc(NC(=O)NCCCO[C@H]2CCOC2)c1Cl	159926954	JHTMJFBDPLSJQM-NSHDSACASA-N	313.785	2.361	70	20	DEID	
C[C@H]1CN(Cc2ccccc2)C[C@@H]1Nc1ncnc2nc[nH]c12	160242771	ZJLGIKFAUYYRLE-JSGCOSHPSA-N	308.389	2.285	70	20	DEID	
C[C@@H](CC(F)(F)F)NC(=O)c1ccc(S(=O)(=O)F)cc1	864241610	ZAUWDDSQPMHMSA-ZETCQYMHSA-N	313.272	2.416	70	20	DEID	
C#CC[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)c1ccccc1	1348034929	NSOVFIMUOZSJCV-ZDUSSCGKSA-N	320.345	2.167	70	20	DEID	
COC(=O)[C@H](c1cccnc1)N(C)CCN(C)c1ccccc1	160086624	QYWJYVOJWNZMMU-KRWDZBQOSA-N	313.401	2.364	70	20	DEID	
O=C(COc1ccc2ccc(=O)oc2c1)NCC1(C2CC2)CC1	160087026	VFOUJGHQARCUPY-UHFFFAOYSA-N	313.353	2.478	70	20	DEID	
CCCCNc1ccccc1C(=O)NCCNC(=O)C1CC1	160533923	MSQMPEYBXWXGCL-UHFFFAOYSA-N	303.406	2.155	70	20	DEID	
Cc1ccc(C(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)cc1Cl	160592480	ZHIJPEIXRRASON-JSGCOSHPSA-N	306.793	2.389	70	20	DEID	
COc1ccc(C(=O)CCC(=O)N[C@H]2CCC[C@@H](N)C2)cc1F	160888054	DKVPJOPTMZJXRG-OLZOCXBDSA-N	322.380	2.183	70	20	DEID	
CCCOc1ccc(CNC(=O)N2CCC([C@@H](C)O)CC2)cn1	159402624	MQEUHCOWXNRLOU-CYBMUJFWSA-N	321.421	2.173	70	20	DEID	
Cc1cc(C(=O)N2CSC[C@H]2C(=O)NCC(C)C)oc1C	159633684	ZFXRBQABXVNNMK-LBPRGKRZSA-N	310.419	2.184	70	20	DEID	
O=C(c1cncn1-c1ccccc1)N1CCC(NCC2CC2)CC1	159872423	UBQUKZMVWPBRQW-UHFFFAOYSA-N	324.428	2.477	70	20	DEID	
C[C@H](N[C@H]1CCN(C2CCOCC2)C1=O)c1cccc(F)c1F	159486993	PCDNAYSUMWYVQZ-NHYWBVRUSA-N	324.371	2.395	70	20	DEID	
O=C(Nc1ccc(-n2cccn2)cc1)[C@@H]1CCn2ccnc2C1	159711225	GESONKUCHYFQKR-CYBMUJFWSA-N	307.357	2.270	70	20	DEID	
COc1ccc(OC)c(NC(=O)[C@H](C)Nc2cc(C)n(C)n2)c1	159586642	VOSXVUBDTNSDAD-NSHDSACASA-N	318.377	2.185	70	20	DEID	
Cc1cc(C)c(S(=O)(=O)N2CCc3ncncc3C2)c(C)c1	218073072	HUERNCFSXKJYHH-UHFFFAOYSA-N	317.414	2.149	70	20	DEID	
CC(C)(C)[C@H]1CCCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1	1123617321	UYFVSWXMBARFPD-LLVKDONJSA-N	302.371	2.324	70	20	DEID	
O=C(CCCNC(=O)c1cccnc1)NCCc1cccs1	160020145	DGIUEKARCPRLJF-UHFFFAOYSA-N	317.414	2.012	70	20	DEID	
CNC(=O)COc1cccc(CC(=O)N(C)c2ccccc2)c1	160060058	NGOQZBLTXOKBFY-UHFFFAOYSA-N	312.369	2.017	70	20	DEID	
O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)[C@H]2CCCCO2)C1	160351431	ZYWKZYFMBBPNAM-GOEBONIOSA-N	316.401	2.433	70	20	DEID	
c1ccn2c(CN3CCC[C@H](c4nnc5n4CCC5)C3)cnc2c1	160442723	HKVSFBGBTUXXAY-AWEZNQCLSA-N	322.416	2.252	70	20	DEID	
O=C(NCCO)[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1	159499668	XLYNCJKUZAXRCG-ROUUACIJSA-N	311.381	2.478	70	20	DEID	
Cc1ccc(NC(=O)C(=O)NCc2ccc(F)c(C)c2)cn1	159902984	LFRSCHFPTDANLL-UHFFFAOYSA-N	301.321	2.092	70	20	DEID	
CC(C)COc1ccc([C@@H](C)NC(=O)CC(=O)N(C)C)cc1	159557191	GQMVDKIMAPSSQM-CYBMUJFWSA-N	306.406	2.377	70	20	DEID	
CC(=O)N[C@H](C(=O)OCC(Cl)(Cl)Cl)C(C)(C)C	217016528	HVQZRJQFLGBYPA-SSDOTTSWSA-N	304.601	2.451	70	20	DEID	
C[C@H]1CC[C@@H](CC(=O)Nc2ccc(S(=O)(=O)F)cc2)O1	460091195	JICHYPSGXYEXRV-ONGXEEELSA-N	301.339	2.241	70	20	DEID	
Cc1ccc(NC(=O)c2cnn(C3CC3)c2)cc1S(=O)(=O)F	875836713	UTSMWSOTGRYHSH-UHFFFAOYSA-N	323.349	2.437	70	20	DEID	
C1CCC2(CC1)OC[C@@H](CNC1CCC3(CC1)OCCO3)O2	161034648	RCQJAHBFIITFIE-OAHLLOKOSA-N	311.422	2.338	70	20	DEID	
C[C@H](NC1CCN(C)CC1)c1ccc(OCCN(C)C)cc1	161417919	XQPOSZYWAXDOPE-HNNXBMFYSA-N	305.466	2.372	70	20	DEID	
C[C@@H](Cc1cccs1)NC(=O)CS(=O)(=O)C(C)(C)C	160032507	WBLJNGLDKGMDMN-JTQLQIEISA-N	303.449	2.009	70	20	DEID	
CCCOc1cccc(NC(=O)C(=O)NCCn2cccc2)c1	160147682	MWXWMFNIKGIJCC-UHFFFAOYSA-N	315.373	2.032	70	20	DEID	
CO[C@H](C)c1noc(CCC(=O)Nc2ccnn2C(C)(C)C)n1	160196923	YSYRYIQPONOYGJ-SNVBAGLBSA-N	321.381	2.300	70	20	DEID	
CC(C)Sc1ccccc1NC(=O)NCC1(CO)COC1	160334627	JCLCYPQBUWRPRV-UHFFFAOYSA-N	310.419	2.318	70	20	DEID	
O=C(NCc1ccc(O)c(F)c1)N[C@H]1CCN(C2CCCC2)C1	160871435	ZDKRDFHHQWCVNQ-ZDUSSCGKSA-N	321.396	2.347	70	20	DEID	
CCCOc1ccc(CNC(=O)N(C)C[C@@H]2CCC[C@H]2O)cn1	160974913	VZWNPLIBMIMKJW-LSDHHAIUSA-N	321.421	2.173	70	20	DEID	
Cc1cccc(CN2CCN(C(=O)[C@H]3CCCO3)CC2)c1C	160993986	VJXICDPSVRGFHF-QGZVFWFLSA-N	302.418	2.127	70	20	DEID	
CCCCn1ncc(NC(=O)N[C@@H](C)C(=O)N[C@H](C)CC)c1C	159813906	GCNRATLPBBIGED-NEPJUHHUSA-N	323.441	2.416	70	20	DEID	
C[C@H]1CC(=O)CC[C@H]1C(=O)Nc1cccc(-c2nncn2C)c1	159875234	QZUADLMXHPWZGF-XHDPSFHLSA-N	312.373	2.426	70	20	DEID	
COc1ccc(-c2nnc(SCCn3ccnc3)[nH]2)cc1	159710624	AHNXWNBJOYHXDG-UHFFFAOYSA-N	301.375	2.469	70	20	DEID	
CCc1ccc([C@H](C)CC(=O)N[C@H]2CCN(C(C)=O)C2)cc1	159552063	UIZRBTMIASGJIJ-DYVFJYSZSA-N	302.418	2.480	70	20	DEID	
CC[C@@H](CSC)NC(=O)c1ccc(S(=O)(=O)F)cc1	865209496	WQZQRSSTYRRMEE-JTQLQIEISA-N	305.396	2.216	70	20	DEID	
C[C@H]1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC[C@H]1C	1516700835	BFUKSIOWEDJMBV-UTLUCORTSA-N	302.371	2.227	70	20	DEID	
C[C@@H]1CCCN(C(C)(C)CNC(=O)[C@H](O)c2ccccc2)C1	161400504	DQBYRVJAQMRWJR-GDBMZVCRSA-N	304.434	2.347	70	20	DEID	
CC[C@](C)(O)CNC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1	160080993	JASRXPSERDVBTJ-LESCRADOSA-N	319.449	2.110	70	20	DEID	
C[C@H](N[C@@H]1CCCN(c2ccccc2F)C1=O)[C@@H]1CCOC1	160202434	HUSKGZVCFXMTBH-GZBFAFLISA-N	306.381	2.336	70	20	DEID	
CC(C)OC(=O)c1cccnc1N1CCC(n2ccnn2)CC1	160232269	KXLMIGHKGQPLOF-UHFFFAOYSA-N	315.377	2.080	70	20	DEID	
Cc1c(CNC(=O)NCCO[C@@H]2CCCC[C@H]2C)cnn1C	160285490	OVKSFRMDOUNQKK-IUODEOHRSA-N	308.426	2.123	70	20	DEID	
CC(C)CN1CCC[C@@H]1CNC(=O)c1ccc2c(c1)OCCO2	160395031	KRMKGWFNWNIZEH-OAHLLOKOSA-N	318.417	2.308	70	20	DEID	
CC(C)[C@@H](CCO)NC(=O)c1cccnc1N1CCCCC1	160628148	GCLJGPVVQAAFJB-OAHLLOKOSA-N	305.422	2.209	70	20	DEID	
CC(C)c1cc(=O)n(CC(=O)N(C)Cc2cccs2)cn1	160729892	ARARFIZMFASCPZ-UHFFFAOYSA-N	305.403	2.087	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)c1ccc(Br)o1	160768787	MRRBCXMEVSWCLL-SSDOTTSWSA-N	304.140	2.114	70	20	DEID	
Cc1ccccc1OC[C@H](O)CN1CC[C@]2(O)CCCC[C@@H]2C1	160778671	GMZPRHOAVPIWQV-ZHALLVOQSA-N	319.445	2.362	70	20	DEID	
CN(CC(=O)N[C@@H](c1ccccc1)C1CC1)C[C@@H]1CCC[C@@H]1O	159608426	HBZJRQDPNNCMLP-LNLFQRSKSA-N	316.445	2.347	70	20	DEID	
COC1(C(=O)N2C[C@H](c3ccc(F)cc3)C[C@H]2C)CCNCC1	159805348	PZNILBWFDLAENB-UKRRQHHQSA-N	320.408	2.299	70	20	DEID	
Cc1ccsc1CN1CCCC[C@H]1CCNS(C)(=O)=O	159436517	SKDBETUWUBAYGI-ZDUSSCGKSA-N	316.492	2.350	70	20	DEID	
COC(=O)C1(N(C)CC(=O)N[C@H]2CCCC[C@H]2C)CCCC1	159439356	OUBUGXRBPVFYSA-KGLIPLIRSA-N	310.438	2.099	70	20	DEID	
Cc1ccc(CCNC(=O)NCc2ccc(O)c(F)c2)cn1	159638794	FKXVGKIERHXIAA-UHFFFAOYSA-N	303.337	2.277	70	20	DEID	
CCN(CC)C(=O)CN(C)C(=O)[C@@H]1C[C@H]1c1sccc1C	159857304	JFFGVWXAGDYMAO-CHWSQXEVSA-N	308.447	2.487	70	20	DEID	
Cc1cccc(NC(=O)N(CCS(C)(=O)=O)C2CC2)c1C	159732525	ZHWSOWGEZRPAAU-UHFFFAOYSA-N	310.419	2.344	70	20	DEID	
N[C@H]1CCC[C@H](NC(=O)CSc2ccc(F)c(F)c2)C1	160926244	JUSVAQAPDQJZIE-UWVGGRQHSA-N	300.374	2.443	70	20	DEID	
CC(C)COc1cccc(CNC(=O)c2cccc(=O)n2C)c1	161025068	YLTHLCMNYLUFIY-UHFFFAOYSA-N	314.385	2.350	70	20	DEID	
COc1cc(OC)c(OC)cc1CN(C)Cc1cnn(C)c1	161061481	RHKAYQUTMUQOPG-UHFFFAOYSA-N	305.378	2.078	70	20	DEID	
CC[C@](C)(O)CN1CCC(C(=O)OC)(c2ccccc2)CC1	161162244	NENWNAKOEJQKFC-KRWDZBQOSA-N	305.418	2.354	70	20	DEID	
Cn1ccnc1CS(=O)(=O)Cc1ccc(OC(F)F)cc1	161206303	AXBUSXTZGKIDKW-UHFFFAOYSA-N	316.329	2.137	70	20	DEID	
C[C@@]1(O)CCCN(C(=O)N[C@H]2CCCOc3ccccc32)C1	161453083	CPIWXEMAKNRBRL-WMLDXEAASA-N	304.390	2.457	70	20	DEID	
CCN1CCN(C[C@@H](C)CNC(=O)[C@@H](C)c2ccsc2)CC1	160119716	YUMRMYPJJYXLRE-GJZGRUSLSA-N	323.506	2.241	70	20	DEID	
CC(C)(N)CNC(=O)c1c[nH]nc1-c1cccc(OC(F)F)c1	160121365	WDVGUDNDJFYRTL-UHFFFAOYSA-N	324.331	2.145	70	20	DEID	
C[C@@H](NCCN1CCC(N(C)C)CC1)c1cccnc1Cl	160197482	HVNCFKPTAGWVDX-CYBMUJFWSA-N	310.873	2.412	70	20	DEID	
C[C@H](Cc1ccccc1F)NC(=O)[C@H]1CCn2ccnc2C1	160358467	XCSBHWCHHHTDEB-OCCSQVGLSA-N	301.365	2.332	70	20	DEID	
Cc1cccc([C@H]2CCCN2CC(=O)Nc2cc(C)on2)n1	160445544	GSWNXFBIPQUSDS-CQSZACIVSA-N	300.362	2.462	70	20	DEID	
CN(C(=O)c1ccc2[nH]c(=O)n(C)c2c1)c1ccc(F)c(F)c1	160744983	SMXQGKSFHQHQCF-UHFFFAOYSA-N	317.295	2.421	70	20	DEID	
CCN(CC)CCN(CCOC)Cc1cnc2ccccn12	160952440	OUXQRLSIDADODB-UHFFFAOYSA-N	304.438	2.125	70	20	DEID	
CCCS(=O)(=O)NC1CCC(N2CCC(C)CC2)CC1	160973867	UMMGPWHRWDWGNN-UHFFFAOYSA-N	302.484	2.359	70	20	DEID	
COC(=O)C1(N(C)CC(=O)Nc2cccc(F)c2)CCCC1	159437754	RGRREQIQFGVUBE-UHFFFAOYSA-N	308.353	2.182	70	20	DEID	
Cc1nc(NC(=O)[C@H](C)N(C)C[C@@H]2CCC[C@@H]2O)sc1C	159677103	WFUFBSZXMZHBIB-DRZSPHRISA-N	311.451	2.180	70	20	DEID	
CSCC[C@H](CO)NC(=O)CCc1nc2ccccc2s1	159902533	FLLYKIRXFRRJHG-LLVKDONJSA-N	324.471	2.459	70	20	DEID	
CCN1CCCN(C(=O)NC[C@@H](C)Oc2cccc(C)c2)CC1	159914842	RHMVXYWWCDEPNS-MRXNPFEDSA-N	319.449	2.500	70	20	DEID	
COC(=O)C1(N(C)CC(=O)Nc2ccc(C)c(F)c2)CCCC1	159372713	NCHYZSPLHBLNHM-UHFFFAOYSA-N	322.380	2.490	70	20	DEID	
CCSCC[C@@H](C)NS(=O)(=O)c1ccc(N)cc1F	159873835	KSLUBLSQJBLMFT-SECBINFHSA-N	306.428	2.218	70	20	DEID	
CC[C@@H]1CCO[C@@H]1C(=O)Nc1ccc(S(=O)(=O)F)cc1	460093044	NEDLJPWAVVXVOZ-SKDRFNHKSA-N	301.339	2.098	70	20	DEID	
Cc1ccc(NC(=O)C2CCOCC2)cc1S(=O)(=O)F	857676303	MWFZKXYRFVHELN-UHFFFAOYSA-N	301.339	2.018	70	20	DEID	
C[C@@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)c1ccccc1	1516690458	UNKGKJGOVXERGR-JTQLQIEISA-N	310.350	2.206	70	20	DEID	
Cc1nc2ccc(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)cc2o1	1527340301	HHLWOTTWCSYTKN-UHFFFAOYSA-N	323.305	2.375	70	20	DEID	
CSCC[C@@H](NC(N)=O)C(=O)NCC(C)(C)C1CCCC1	161096713	BOKUYOZAPFKCPA-GFCCVEGCSA-N	315.483	2.109	70	20	DEID	
CCC(CC)(CN)C(=O)Nc1ccc2c(c1)C(=O)N(C)CC2	161242917	ZVOSLGRSZJMRPP-UHFFFAOYSA-N	303.406	2.018	70	20	DEID	
C[C@@H]1Sc2ccccc2N(CCCN2C(=O)CNC2=O)[C@@H]1C	161260246	HJSOKROTJDVKDU-NEPJUHHUSA-N	319.430	2.318	70	20	DEID	
Cc1ccc(S(=O)(=O)N2CCC[C@H]2[C@H](O)C(F)(F)F)cc1	161480307	RGHUBPASMPJFKV-RYUDHWBXSA-N	323.336	2.071	70	20	DEID	
COc1ccc(C(F)(F)C(=O)N(C)Cc2nccn2C)cc1	160162678	QPBAVYQATUPURU-UHFFFAOYSA-N	309.316	2.179	70	20	DEID	
CNC(=O)c1ccc(NC(=O)CCn2cc(C)cn2)c(Cl)c1	160227595	OEZBMINJKVQBSM-UHFFFAOYSA-N	320.780	2.233	70	20	DEID	
O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)N[C@H]1CCCC[C@H]1O	160272039	FAZAURKIGYNFDI-OWCLPIDISA-N	320.389	2.279	70	20	DEID	
Cc1ccc(-c2nnc(NC(=O)[C@H]3CSCCS3)[nH]2)o1	160329887	XWGCQTZOAQLZOQ-SECBINFHSA-N	310.404	2.160	70	20	DEID	
CCN1CCC(NC(=O)c2csc([C@H]3CCCO3)n2)CC1	160338131	ZQPUHTRCXIRDQA-CYBMUJFWSA-N	309.435	2.209	70	20	DEID	
CCCc1ccc(S(=O)(=O)NCC2(CO)CCCC2)cc1	160347065	SJMWNZOHIOBPPK-UHFFFAOYSA-N	311.447	2.470	70	20	DEID	
CN(Cc1ccc(O)cc1)C(=O)N[C@H]1CCO[C@@H](C2CC2)C1	160567859	MKVUROLFXJOYIF-GOEBONIOSA-N	304.390	2.491	70	20	DEID	
CCCNC(=O)c1cccc(CN[C@@H]2CCN(C)C[C@@H]2C)c1	160596378	CUQXARPXQRIETB-WMLDXEAASA-N	303.450	2.256	70	20	DEID	
NC(=O)c1cccc(NC(=O)c2csc([C@H]3CCCO3)n2)c1	160686786	DAHLRFUAHBSIJR-GFCCVEGCSA-N	317.370	2.346	70	20	DEID	
O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)N1CCC[C@H](O)C1	160757644	AJJWFKYNDCNYHF-OWCLPIDISA-N	304.390	2.073	70	20	DEID	
Cc1nn(C)c(=O)c(-c2nc(-c3cccc(F)c3)no2)c1C	160856822	PBQDUDDKYGLLLH-UHFFFAOYSA-N	300.293	2.253	70	20	DEID	
Cc1nc(C)c(CCNC(=O)N2CCN(C)C[C@@H]2C(C)C)s1	159444176	SUFBNZITAGXBMS-CQSZACIVSA-N	324.494	2.284	70	20	DEID	
CC[C@@H](Oc1ccc(S(=O)(=O)c2ccccc2)cc1)C(N)=O	159397151	VHJGOBYCIZQKLP-OAHLLOKOSA-N	319.382	2.162	70	20	DEID	
O=C(Nc1ccc(S(=O)(=O)F)c(F)c1)[C@H]1C[C@@H]1C1CC1	857672999	QGPUXMNUMGJMPX-ZJUUUORDSA-N	301.314	2.469	70	20	DEID	
CC(C)N(CC1CCC1)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1121094967	MLLZLWCVOYZLLT-UHFFFAOYSA-N	302.371	2.324	70	20	DEID	
CCc1n[nH]c(-c2ccccc2NC(=O)c2cc(C)nn2C)n1	161077346	ZANCNBIVBJIJLC-UHFFFAOYSA-N	310.361	2.328	70	20	DEID	
COCCC1(CNC(=O)N2CCC[C@H](N3CCCC3)CC2)CC1	161134780	PUMUVBOAVGNJAD-INIZCTEOSA-N	323.481	2.463	70	20	DEID	
O=C(Cc1cccc(OC(F)(F)F)c1)N1CCC[C@@H](O)C1	161173776	BJVPXQLSGUVLTI-LLVKDONJSA-N	303.280	2.111	70	20	DEID	
CNC(=O)c1cccc(NC(=O)NCC(C)(C)[C@H](O)C(C)C)c1	161307649	BDFAGMPBRMJAKL-CQSZACIVSA-N	321.421	2.211	70	20	DEID	
CC[C@@H](NC(=O)[C@H]1CCn2ccnc2C1)c1nc(C)cs1	161440959	DFGOZKNQLIPKTR-NWDGAFQWSA-N	304.419	2.478	70	20	DEID	
Cc1cc(C[C@H](C)NC(=O)c2cc3c(C)nn(C)c3s2)n[nH]1	161494607	WVDPRABGWOFMAV-QMMMGPOBSA-N	317.418	2.336	70	20	DEID	
CCC(=O)N1CC[C@@H](C(=O)N[C@@H](CC)c2c(C)noc2C)C1	160099740	LWONCTXPNNZFTQ-OLZOCXBDSA-N	307.394	2.117	70	20	DEID	
COc1ccc(C2(CNC(=O)[C@@H](C)N)CCCCC2)cc1OC	160140172	RJRMOFGYTCMPPV-CYBMUJFWSA-N	320.433	2.369	70	20	DEID	
CSC[C@H](CCO)NC1CCN(CCc2ccccc2)CC1	160219290	ZGMFDVPQFXOKGG-SFHVURJKSA-N	322.518	2.397	70	20	DEID	
COc1ccc(CCCNC(=O)[C@@H]2CCn3ccnc3C2)cc1	160277029	PZTJJXUJDUMJRP-OAHLLOKOSA-N	313.401	2.203	70	20	DEID	
CC(C)(C)c1noc(CCCC(=O)N2C[C@@H]3CCC[C@H](C2)N3)n1	160650569	ASJFOMMWWMNLEV-BETUJISGSA-N	320.437	2.043	70	20	DEID	
O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1CCCCO1	160697264	GFBJJVKMFMDPNC-QGZVFWFLSA-N	302.418	2.336	70	20	DEID	
COC(=O)NCCCC(=O)N[C@@H]1CCOC2(CCCCC2)C1	160718885	KCCDOENSMOCDGH-CYBMUJFWSA-N	312.410	2.121	70	20	DEID	
CCS(=O)(=O)c1cccc(CC(=O)N2CC[C@@H](C)[C@H]2C)c1	160754168	DLMQZGLCHNLXSX-CHWSQXEVSA-N	309.431	2.280	70	20	DEID	
CCCC(O)(CCC)CC(=O)N1CCC[C@H](CNC(C)=O)C1	160850390	PDIQFRXUJVZSTI-OAHLLOKOSA-N	312.454	2.083	70	20	DEID	
COc1ccnc(N2CCN(CCCN3CCCCC3)CC2)c1	160922927	GRRBYQSDLCRRTI-UHFFFAOYSA-N	318.465	2.088	70	20	DEID	
CC[C@@H](CO)NC(=O)NOCc1ccc(C(F)(F)F)cc1	160982018	ZISTYYXUVBJXRS-NSHDSACASA-N	306.284	2.207	70	20	DEID	
CC[C@H](c1ccncc1)N(C)S(=O)(=O)c1c(C)nn(C)c1C	159737985	RPOSLYIMLBGFNF-CQSZACIVSA-N	322.434	2.204	70	20	DEID	
CCCCOCC(=O)Nc1ccc(C)c(S(=O)(=O)F)c1	857675213	GQHYILWLBUDNER-UHFFFAOYSA-N	303.355	2.408	70	20	DEID	
CC(C)CO[C@H](C)C(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	857674025	BDDRSTVMGAWSLY-SECBINFHSA-N	321.345	2.484	70	20	DEID	
O=C(Cc1ccc(S(=O)(=O)F)cc1)N[C@H]1CCC[C@H](F)C1	1337475045	NZGHMFWVSNRZGQ-RYUDHWBXSA-N	317.357	2.284	70	20	DEID	
COC(=O)c1ccc(NCCNC(=O)OC(C)(C)C)nc1C	217993176	JXHRFYFIMIYUDZ-UHFFFAOYSA-N	309.366	2.113	70	20	DEID	
COC(=O)c1csc(NC(=O)NC[C@@H]2CCC[C@@H](O)C2)c1	161022418	PUYSEYNIJMMPPA-MWLCHTKSSA-N	312.391	2.207	70	20	DEID	
CCNCC1CCN(C(=O)[C@@H](c2ccccc2)N(C)C)CC1	161068225	GDTKFPJDAZVPLM-QGZVFWFLSA-N	303.450	2.137	70	20	DEID	
Cc1ccccc1NC(=O)CN1CCN(c2ccncc2)CC1	161288126	GKLYWYYXWLSGPV-UHFFFAOYSA-N	310.401	2.151	70	20	DEID	
O=C(CCCNC(=O)c1cccnc1)N[C@H]1CCc2ccccc21	160340204	HNNACSWZGNYJGG-KRWDZBQOSA-N	323.396	2.395	70	20	DEID	
Cc1cc(NC(=O)[C@H]2CCC[C@H](N)C2)ccc1C(=O)N(C)C	160516461	MYLHNBOMAGSOOV-STQMWFEESA-N	303.406	2.153	70	20	DEID	
C[C@H]1Oc2c(cccc2C(=O)N(C)Cc2cccn2C)NC1=O	160562717	RXYOYFCAZQHGEM-LLVKDONJSA-N	313.357	2.017	70	20	DEID	
Cc1ncsc1C(=O)N1CCOC[C@H]1[C@@H]1CCCCC1=O	160587557	IIFFIUJKXYXHNK-RYUDHWBXSA-N	308.403	2.052	70	20	DEID	
CC(C)c1cc(=O)n(CC(=O)N(C2CC2)[C@@H](C)C2CC2)cn1	160845669	XUFSYVQXEIGQKF-LBPRGKRZSA-N	303.406	2.156	70	20	DEID	
CC(C)CSCCCNC(=O)c1ccccc1-n1cnnn1	160855500	SERVBQBXLBTJRA-UHFFFAOYSA-N	319.434	2.171	70	20	DEID	
COC[C@H](C)NC(=O)c1ccc(NC(=O)N(C)C)cc1Cl	159610934	QEOVXUBPEHERCL-VIFPVBQESA-N	313.785	2.198	70	20	DEID	
CC(C)CONC(=O)Nc1ccc(CCN2CCOCC2)cc1	159442840	DFFRRGVPMZMIOY-UHFFFAOYSA-N	321.421	2.270	70	20	DEID	
COC(=O)[C@@H](SCCN1CCOCC1)c1ccccc1F	159847338	YDMDKUSENWYQIJ-AWEZNQCLSA-N	313.394	2.105	70	20	DEID	
Cc1noc(C)c1C[C@H](C)NS(=O)(=O)CCc1ccccc1	159868953	OPSRSLBJZXLEIX-LBPRGKRZSA-N	322.430	2.385	70	20	DEID	
CC(C)Cn1ncc(C(=O)NC[C@@H]2CCOC2)c1C(F)F	159883657	IMMXNGLUJVSRHC-JTQLQIEISA-N	301.337	2.243	70	20	DEID	
CCOC(=O)CN(C)[C@@H](C)c1nc(Cc2ccccc2)no1	159705867	OVBVCRMZOJNYMD-LBPRGKRZSA-N	303.362	2.216	70	20	DEID	
COC[C@@H](O)CNC(=O)c1cc2c(s1)-c1ccccc1CC2	159539558	COEKQHNYKWJOMM-ZDUSSCGKSA-N	317.410	2.251	70	20	DEID	
Cc1cccc(OCCC(=O)N(CC(N)=O)CC(C)C)c1C	159733770	WJVJRBLEDOPOQF-UHFFFAOYSA-N	306.406	2.042	70	20	DEID	
Cc1cc(C)c(C)c(S(=O)(=O)N(C)[C@@H](CN)C2CC2)c1C	159932265	VBXRDOVFEMQJEU-HNNXBMFYSA-N	310.463	2.278	70	20	DEID	
COC[C@H](O)CNC(=O)CCCc1ccc(CC(C)C)cc1	159370582	IEHIUSDONLKVLI-QGZVFWFLSA-N	307.434	2.331	70	20	DEID	
CC(C)(C)CN(CCS(=O)(=O)F)C[C@](C)(O)c1ccco1	1887497492	JZHGZULFPWTGTK-AWEZNQCLSA-N	321.414	2.135	70	20	DEID	
COc1ccccc1CCNC(=O)N1CCCC[C@@H]1CCO	217341682	HYKMIWYDVVASLC-OAHLLOKOSA-N	306.406	2.184	70	20	DEID	
O=C(NCCc1ccccc1F)NCc1ccc(CO)cc1	217356851	SGUCTSRUEFMPBR-UHFFFAOYSA-N	302.349	2.360	70	20	DEID	
C[C@H]1CC[C@@H](COC(=O)c2ccc(S(=O)(=O)F)cc2)O1	490537759	VFQJLEOXMKYAFI-ONGXEEELSA-N	302.323	2.069	70	20	DEID	
Cc1ccc(NC(=O)/C=C/[C@@H]2CCOC2)cc1S(=O)(=O)F	857674498	YNOZNADUKGHYMB-JOAKQRRISA-N	313.350	2.184	70	20	DEID	
Cc1ccc(C(=O)CCN(CCS(C)(=O)=O)C2CC2)cc1	161012839	FAHAPKABIPYGIB-UHFFFAOYSA-N	309.431	2.077	70	20	DEID	
CN(C(=O)c1cccc(-c2ncn[nH]2)c1)c1ccc2c(c1)OCO2	161458729	GONQXYYHKVJXRF-UHFFFAOYSA-N	322.324	2.477	70	20	DEID	
C[C@@H]1CCCN1C(=O)CCN1CCC([C@@H](O)C(F)(F)F)CC1	161499473	HEJDMOLAJDWOAT-BXUZGUMPSA-N	322.371	2.023	70	20	DEID	
C[C@H](NC(N)=O)C(=O)NCCc1ccc(-c2ccccc2)cc1	160147436	ULZJAEKZYCQUCE-ZDUSSCGKSA-N	311.385	2.069	70	20	DEID	
O=C(NC[C@@H](O)CN1CCCCC1)c1ccc(F)c(Cl)c1	160335072	QSWYPXXCWDNJBR-GFCCVEGCSA-N	314.788	2.056	70	20	DEID	
CC(C)c1cc(=O)n(CC(=O)N[C@@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)cn1	160898636	GNDPCGVBSBXOFS-GBJTYRQASA-N	317.433	2.308	70	20	DEID	
c1ncn(-c2ccc(CN[C@H]3[C@@H]4CCO[C@@H]4C34CCC4)cc2)n1	159641932	OYXJAZYSTSBYJP-ULQDDVLXSA-N	310.401	2.315	70	20	DEID	
C[C@@H](C(=O)NCC1(C2CC2)CC1)n1nnc(-c2ccccc2)n1	159652125	HSVHVAWKOMYWEL-LBPRGKRZSA-N	311.389	2.208	70	20	DEID	
CCCNC(=O)CN(CC(=O)OC)[C@H](CC)c1ccccc1	159685509	QTNYZKQIOPVGRT-OAHLLOKOSA-N	306.406	2.139	70	20	DEID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)c1ncc2n1CCCC2	875551049	KMZNFLJUWRBPBK-UHFFFAOYSA-N	323.349	2.130	70	20	DEID	
O=S(=O)(F)c1ccc(NC[C@@H]2CCC23CCOCC3)nc1	1550639844	VMVNPVCKYVGJBC-NSHDSACASA-N	314.382	2.359	70	20	DEID	
Cc1cc(N)cc(CNC(=O)c2cccc(S(=O)(=O)F)c2)c1	1579619709	ARMVOJSAMHMHRX-UHFFFAOYSA-N	322.361	2.165	70	20	DEID	
C[C@H](CCO)CNC(=O)CCc1ncc(-c2ccccc2)o1	161017930	COAMGUUQOQSPPP-CYBMUJFWSA-N	302.374	2.409	70	20	DEID	
CCCN(Cc1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1	161091033	TZSURUMNLGBRJI-INIZCTEOSA-N	324.446	2.044	70	20	DEID	
Cn1cc(CC(=O)N2CC[C@H](Oc3ccccc3Cl)C2)cn1	161405667	SMBUKLPBNMEWDD-ZDUSSCGKSA-N	319.792	2.296	70	20	DEID	
CCCN(Cc1ccnn1C)C[C@H]1COc2ccccc2O1	161424101	KVZJPKALMFMZFX-HNNXBMFYSA-N	301.390	2.472	70	20	DEID	
O=C(NCCCN1CCc2ccccc2C1)c1cccc(F)n1	161472460	MUDZJGCQBJTUHM-UHFFFAOYSA-N	313.376	2.399	70	20	DEID	
C[C@H](CS(=O)(=O)NCC1(CO)CCCC1)c1ccccc1	160339522	DHPYJVNMUMVIRC-CQSZACIVSA-N	311.447	2.262	70	20	DEID	
O=C1CCCC[C@@H]1[C@H]1COCCN1C(=O)c1cc(Cl)c[nH]1	160412704	MOZHGBRMJLCLOH-DGCLKSJQSA-N	310.781	2.268	70	20	DEID	
CCCN(CCO)C(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1	160775863	GKGHVYZKBBEZGY-JKSUJKDBSA-N	306.406	2.321	70	20	DEID	
NC(=O)c1c(NC(=O)[C@H]2CCCCO2)sc2c1CCCC2	159653683	FMJRNXLQJBXOJV-SNVBAGLBSA-N	308.403	2.233	70	20	DEID	
O=C(Nc1ccccc1-n1ccnc1)[C@@H]1CCn2ccnc2C1	159870711	CYQYDRUHSUVANG-CYBMUJFWSA-N	307.357	2.270	70	20	DEID	
CCCCn1ncc(NC(=O)N2CCC[C@H](NC(C)=O)C2)c1C	159897557	ZBKYBJILQHNFDX-AWEZNQCLSA-N	321.425	2.124	70	20	DEID	
COc1ccc(OCCCC(=O)Nc2c[nH]c(=O)c(C)c2)cc1	159500184	WQTOOOXXUKYJJI-UHFFFAOYSA-N	316.357	2.490	70	20	DEID	
Cc1cc(C)cc(NC(=O)C(=O)NC[C@@H]2CSCCS2)c1	159707169	CZMIKHQQXOFXSL-CYBMUJFWSA-N	324.471	2.207	70	20	DEID	
Cc1c(/C=C/C(=O)NCCCCN2CCC[C@@H](C)C2)cnn1C	159361053	FHPCBUYLRHMCOC-XVJNWHFHSA-N	318.465	2.370	70	20	DEID	
O=C(N[C@H](C[C@H]1CCOC1)c1ccccc1)c1cnsn1	159555476	FPQCMTNSBNERMX-DGCLKSJQSA-N	303.387	2.436	70	20	DEID	
O=C(Nc1cccc(S(=O)(=O)F)c1)[C@@H]1CC1(Cl)Cl	460089346	FDAWJBRKJJGRDT-QMMMGPOBSA-N	312.149	2.477	70	20	DEID	
CS[C@H]1CC[C@H](N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1123621382	XKPQZECMEDCBCW-IUCAKERBSA-N	320.411	2.029	70	20	DEID	
CCN(CC)CCOc1ccc(C(=O)N[C@@H]2CCC[C@H]2O)cc1	161099303	MXHPVXOWNIBRMO-IAGOWNOFSA-N	320.433	2.050	70	20	DEID	
Cc1ccc(NC(=O)C(=O)N[C@H](C)C2CCOCC2)cc1C	161165349	CXXGKBLCSBILLQ-CYBMUJFWSA-N	304.390	2.173	70	20	DEID	
COC[C@@H](O)CCNC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2	161445546	RJSBFKDISFRWEN-UWUYSDQOSA-N	309.450	2.497	70	20	DEID	
COC[C@@H](NC(=O)Nc1cc(OC)c(OC)cc1F)C1CC1	160148718	LLNXKWNORNQIIB-GFCCVEGCSA-N	312.341	2.389	70	20	DEID	
Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1CC[C@@H](N)C1	160297809	GTBQMJKRRSSEKE-SNVBAGLBSA-N	309.435	2.214	70	20	DEID	
CC(C)(C)CNC(=O)c1ccc(C(=O)N2CCC[C@H]2CN)cc1	160330491	PTUMVRJIJWHDKG-HNNXBMFYSA-N	317.433	2.026	70	20	DEID	
C[C@@H]1CC(NC(=O)Nc2ccc(-n3ccnn3)cc2)C[C@@H](C)O1	160341846	RXWGHYGOEABGQD-VXGBXAGGSA-N	315.377	2.345	70	20	DEID	
COc1ccc(-c2ncc(C(=O)N(C)[C@H](C)CO)s2)cc1	160481151	YBVWVQLNBBJHNC-SNVBAGLBSA-N	306.387	2.272	70	20	DEID	
COCCC1(CNC(=O)Nc2cc(C(=O)OC)cs2)CC1	160772023	SFQKBBOSIQRZCC-UHFFFAOYSA-N	312.391	2.473	70	20	DEID	
COc1ccc2c(c1)C[C@@H](C(=O)N(C)Cc1cccn1C)CO2	160868457	UWJWGROKSRMMAB-CQSZACIVSA-N	314.385	2.243	70	20	DEID	
CCC(=O)Nc1ccc(NC(=O)N[C@H]2CC[C@H](O)CC2)cc1	160881404	OICVZYDMTMTLMZ-OKILXGFUSA-N	305.378	2.460	70	20	DEID	
C[C@H](c1cccs1)N(C)C(=O)NC[C@@H]1CCCS1(=O)=O	159890905	RJJOQGXPKKCEGY-MNOVXSKESA-N	316.448	2.028	70	20	DEID	
C[C@@H]1CC(NC(=O)c2cnc(C(F)(F)F)nc2)C[C@@H](C)O1	159723233	PCMAGVPVVHUDME-HTQZYQBOSA-N	303.284	2.181	70	20	DEID	
CCc1ncc(NC(=O)c2ccc(C(=O)NC(C)C)cc2)cn1	159375252	FGXDNZQGDBHBTF-UHFFFAOYSA-N	312.373	2.430	70	20	DEID	
CSCCCCC(=O)N1CCN(C(=O)C(C)(C)C)CC1	159561814	WDUSOQWLQWJTLE-UHFFFAOYSA-N	300.468	2.237	70	20	DEID	
COc1ccc(OCCCC(=O)N2CC[C@@]3(CCNC3)C2)cc1	159387678	QLUXWLVCRSYZIL-GOSISDBHSA-N	318.417	2.066	70	20	DEID	
CCc1c(C(=O)Nc2c[nH]c(=O)c(C)c2)cnn1CC(C)C	159397731	TWZCDHRYBPESMW-UHFFFAOYSA-N	302.378	2.351	70	20	DEID	
COCCN(CCO)C(=O)c1cc(F)c(Cl)cc1Cl	160634924	FREDBPKXJMSHOY-UHFFFAOYSA-N	310.152	2.213	70	20	DEID	
COC/C(C)=C\C(=O)Nc1ccc(C)c(S(=O)(=O)F)c1	857674116	QSLWPYKXUDFEJE-TWGQIWQCSA-N	301.339	2.184	70	20	DEID	
CCc1n[nH]c(NC(=O)[C@@H]2CCCCO2)c1Br	159860462	KTVZUOLWUSJPGK-QMMMGPOBSA-N	302.172	2.242	70	20	DEID	
CC[C@H]1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1528214677	LTKSFIANJDKOGO-UWVGGRQHSA-N	302.371	2.229	70	20	DEID	
COC(=O)NCc1ccc(NC2CCC(NC(C)=O)CC2)cc1	161104676	AUCDWOXZINNGCI-UHFFFAOYSA-N	319.405	2.402	70	20	DEID	
CNC[C@H]1CCCN1C(=O)c1cc(Br)cs1	161166470	DPYIIGHKTFBTGE-SECBINFHSA-N	303.225	2.335	70	20	DEID	
CS[C@H](C)CNC(=O)Nc1ccccc1CN1CCOCC1	161385670	MLVNLROYIGVDOX-CYBMUJFWSA-N	323.462	2.392	70	20	DEID	
COCCN(C)CCCNC(=O)[C@@H]1C[C@H]1c1sccc1C	161486118	HIHVCLOWWLQVBV-ZIAGYGMSSA-N	310.463	2.245	70	20	DEID	
CC(=O)NC1CCC(N[C@H]2CCC[C@H](C(=O)NC(C)C)C2)CC1	161504408	OUFREYGDJBFMDI-OTBWCIGPSA-N	323.481	2.107	70	20	DEID	
CN(Cc1cscn1)C(=O)c1ccc2c(c1)CCC(=O)N2C	160037260	LKCGAAMZRBVLHN-UHFFFAOYSA-N	315.398	2.324	70	20	DEID	
C/C(=C/c1ccccc1Cl)C(=O)N[C@@H]1CCS(=O)(=O)C1	160201391	PRCKDJLSSWCCBZ-VPUINMBXSA-N	313.806	2.047	70	20	DEID	
C[C@H](Cc1ccccc1F)C(=O)NCC1(N(C)C)CCOCC1	160336269	OIPZVJIDUKTRMC-CQSZACIVSA-N	322.424	2.231	70	20	DEID	
CS(=O)(=O)CCCCS(=O)(=O)Cc1ccccc1Cl	160364858	MFVYVXXQXMJDFU-UHFFFAOYSA-N	324.851	2.080	70	20	DEID	
CC(C)[C@@H](CCO)NC(=O)C1(c2ccc(F)cc2)CCOCC1	160558806	YPGFPMIFSGBVAE-MRXNPFEDSA-N	323.408	2.397	70	20	DEID	
Cc1cc(F)cc(S(=O)(=O)NCC2(O)CCCCCC2)c1	160978353	OBUOKGVHGNZSAG-UHFFFAOYSA-N	315.410	2.498	70	20	DEID	
C1CCN(CCCN2CCC[C@@H](c3nnc4n3CCC4)C2)CC1	160994544	ZHYRTRBKXARGRP-MRXNPFEDSA-N	317.481	2.280	70	20	DEID	
COc1ccccc1S(=O)(=O)N[C@@H](C)Cc1c(C)noc1C	159856756	IMXJQWFSHFYYSQ-JTQLQIEISA-N	324.402	2.210	70	20	DEID	
O=C(NCCCO[C@@H]1CCOC1)N1CCc2cccc(F)c2C1	159909860	OZUPFCSLYFQRQE-CQSZACIVSA-N	322.380	2.089	70	20	DEID	
C[C@@H](NCCc1cnn(C)c1)c1ccc2c(c1)OCCCO2	159762614	IQRXYSCZZZHSJH-CYBMUJFWSA-N	301.390	2.475	70	20	DEID	
O=C(OCCCCCCO)c1ccc(S(=O)(=O)F)cc1	838092845	JVLSJFNURYFFNF-UHFFFAOYSA-N	304.339	2.054	70	20	DEID	
C=CC[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1528547964	BHAFZOUTHJCRHI-SNVBAGLBSA-N	300.355	2.101	70	20	DEID	
O=S(=O)(F)c1ccc(NC[C@@H]2C[C@H]3CCC[C@H]3O2)nc1	1550640468	CHDLWMXCEODKJF-JFGNBEQYSA-N	300.355	2.109	70	20	DEID	
O=C(NCCc1cccc(Br)c1)N1CCOCC1	217476145	KXPPMNHRZZJJLU-UHFFFAOYSA-N	313.195	2.033	70	20	DEID	
C[C@@H](CC(=O)c1cccs1)NC(=O)c1cc(C(N)=O)cs1	161028727	IEYUVNNAGLCNAY-QMMMGPOBSA-N	322.411	2.300	70	20	DEID	
COCC(C)(C)C(=O)N1CCN(CCc2ccccc2)CC1	161189836	DNTAFYUMAXVYKM-UHFFFAOYSA-N	304.434	2.046	70	20	DEID	
CC[C@H](C(=O)NC[C@@H]1CCCS1(=O)=O)c1ccc(F)cc1	161200445	OABYIKZTDAWYKY-KBPBESRZSA-N	313.394	2.013	70	20	DEID	
CCC[C@](C)(NC(=O)[C@H](O)c1ccccc1Cl)C(=O)OC	161207668	IXXNPCYJQDQXBV-DOMZBBRYSA-N	313.781	2.221	70	20	DEID	
CCCOc1ncccc1CNC(=O)C1(C(=O)OCC)CCC1	161313839	SPGHXBLCRGCHCM-UHFFFAOYSA-N	320.389	2.220	70	20	DEID	
Cc1ccc(NC(=O)/C=C/C(=O)Nc2ccc3[nH]ncc3c2)nc1	161475102	RXQNCHWDUPOYLI-VOTSOKGWSA-N	321.340	2.400	70	20	DEID	
CCCC(O)(CCC)CNC(=O)c1c(C)[nH]c(C(=O)OC)c1C	161502937	IZZHNOHCHGQFKR-UHFFFAOYSA-N	324.421	2.479	70	20	DEID	
Cc1nc(NC(=O)[C@H](C)OC[C@H]2CCCO2)cc(C2CC2)n1	160067074	NUHMTTFYLXIFAX-GXFFZTMASA-N	305.378	2.185	70	20	DEID	
O=C(NCc1ccnc(-n2cccn2)c1)N1CCC2(CCC2)C1	160097107	LCYCOVQHURVWFO-UHFFFAOYSA-N	311.389	2.353	70	20	DEID	
CSC[C@@](C)(O)CNC(=O)N[C@H]1CCC[C@H](SC)C1	160277900	BOGTUCMSZJXAQX-GVXVVHGQSA-N	306.497	2.074	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)c1nc(SC)n2ccccc12	160495302	CKZXASKWSHQZOP-JTQLQIEISA-N	321.402	2.128	70	20	DEID	
CCOC(=O)[C@H]1CCCN(C(=O)c2ccnc(Cl)c2F)C1	160798475	DWVOKWNNYJHILJ-VIFPVBQESA-N	314.744	2.289	70	20	DEID	
O=C(C[C@@H]1COC(=O)C1)Nc1nc(-c2ccccc2)ns1	160872246	WHQAFVAZYLODDT-VIFPVBQESA-N	303.343	2.097	70	20	DEID	
CC(C)c1cc(=O)n(CC(=O)NCCCc2ccccc2)cn1	160898885	RSYFXSCTAFALFG-UHFFFAOYSA-N	313.401	2.116	70	20	DEID	
COc1cc(N)c(Cl)cc1C(=O)NCC(C)(C)C[C@@H](C)O	160951186	ITGVZJPKHGVETQ-SECBINFHSA-N	314.813	2.458	70	20	DEID	
COCCCNC(=O)[C@H](C)N[C@@H](C)c1cccc(F)c1F	159431053	AVUBXNTXDUODMH-QWRGUYRKSA-N	300.349	2.157	70	20	DEID	
CCC[C@@H]1C(=O)NCCN1C(=O)Nc1ccnc(C)c1Cl	159675394	HGMZQBRMLZOBNT-LLVKDONJSA-N	310.785	2.176	70	20	DEID	
CC1=C(C(=O)NCCC(=O)OCc2ccccc2)CCCO1	159699135	XNARBGMTCVJOAE-UHFFFAOYSA-N	303.358	2.321	70	20	DEID	
CC1(C)Cc2cc(CN3CCC(CC(N)=O)CC3)ccc2O1	159752785	UUWVNTFWAUJEQS-UHFFFAOYSA-N	302.418	2.488	70	20	DEID	
Cc1cc(Cl)ccc1S(=O)(=O)NCCSCCCO	161334951	BBISEEQQACRXPX-UHFFFAOYSA-N	323.867	2.042	70	20	DEID	
CNC[C@@H]1CCCN([C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1	218063432	KCRVPCCTRPRTOX-KBPBESRZSA-N	310.463	2.083	70	20	DEID	
CC(C)OC(C)(C)C(=O)Nc1ccc(S(=O)(=O)F)cc1	460095353	UCFVUKUTQAMRGV-UHFFFAOYSA-N	303.355	2.487	70	20	DEID	
CC(C)(C)NCCC(=O)Nc1ccc(S(=O)(=O)F)cc1	904411395	VAOLPDQZTBNNDP-UHFFFAOYSA-N	302.371	2.062	70	20	DEID	
CC1(c2ccccc2)CCN(C(=O)CCS(C)(=O)=O)CC1	161094815	IXKOVPOLGIFPDT-UHFFFAOYSA-N	309.431	2.001	70	20	DEID	
CCC(CC)(CN)C(=O)Nc1ccc2c(c1)CCC(=O)N2C	161212646	HEPYMRHUWUKPDW-UHFFFAOYSA-N	303.406	2.299	70	20	DEID	
CCc1noc([C@@H](C)N2CCC[C@H](c3nncn3CC)C2)n1	161284606	YVLUIWOUDGJWDE-NEPJUHHUSA-N	304.398	2.184	70	20	DEID	
CNC[C@H]1CCCN1C(=O)c1cnc(-c2ccccn2)s1	161316433	YHXFSIOWWMKZBP-LLVKDONJSA-N	302.403	2.029	70	20	DEID	
COc1cccc(OCCCNC(=O)[C@@H](N)c2ccccc2)c1	161360458	FBSHGAQWVVXJKF-KRWDZBQOSA-N	314.385	2.280	70	20	DEID	
COC(=O)C(C)(C)CNC(=O)NCc1cc(C)cc(OC)c1	160208094	JFQQICJDVSAJNC-UHFFFAOYSA-N	308.378	2.002	70	20	DEID	
Cc1conc1NC(=O)C(=O)NC[C@@H](c1ccccc1)C(C)C	160258090	MQIRRXQALPULJK-CQSZACIVSA-N	315.373	2.478	70	20	DEID	
O=C(Nc1ccn(CC(F)(F)F)n1)N[C@@H]1CCCC[C@@H]1CO	160331340	BSOZKHZQYFCMQS-NXEZZACHSA-N	320.315	2.118	70	20	DEID	
CN[C@H]1CCN(C(=O)c2ccccc2C(=O)c2ccccc2)C1	160465405	JPMBOGSWQGSPEM-HNNXBMFYSA-N	308.381	2.352	70	20	DEID	
CN(CCc1nccs1)C(=O)Nc1ccc(F)c(C(N)=O)c1	160697504	QCTXKJNPSGQFHZ-UHFFFAOYSA-N	322.365	2.088	70	20	DEID	
CCCC(O)(CCC)CNC(=O)N[C@H]1CCN(CC2CC2)C1	160703259	XUVAEADMQKIZRK-HNNXBMFYSA-N	311.470	2.101	70	20	DEID	
C[C@H]1Cc2ccccc2N1CCNC(=O)[C@@H]1CCn2ccnc2C1	160757592	JAVJDPZEFUSIHE-GOEBONIOSA-N	324.428	2.013	70	20	DEID	
Cc1ccc(C(=O)CCN2CC[C@@H](CN3CCOCC3)C2)cc1	159815889	XDUFAHMGTOMGDN-QGZVFWFLSA-N	316.445	2.222	70	20	DEID	
CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)NCCc2cccnc2)C1	159562987	GDTSNFSPWOMXTN-ZBFHGGJFSA-N	317.433	2.025	70	20	DEID	
COc1cccc(CNC(=O)[C@H]2CCC(=O)C[C@@H]2C)c1OC	159777143	ILSZCAJLYAOJPM-FZMZJTMJSA-N	305.374	2.325	70	20	DEID	
O=C(CC1CCCCC1)N1CCN(C(=O)C(F)(F)F)CC1	216713537	VDRVGWJWVFZTJN-UHFFFAOYSA-N	306.328	2.190	70	20	DEID	
Cc1oc(C#N)cc1C(=O)Nc1ccc(S(=O)(=O)F)cc1	460093546	OFEVDXVSJPXJJV-UHFFFAOYSA-N	308.290	2.370	70	20	DEID	
O=C(NCc1coc2ccccc12)c1cc(S(=O)(=O)F)c[nH]1	1347341237	ZXORWOWTHYDJJO-UHFFFAOYSA-N	322.317	2.349	70	20	DEID	
CC(C)(CNC(=O)CNC(=O)NCc1ccco1)C1CCCC1	161103480	XDTYHQIUDHRUGK-UHFFFAOYSA-N	321.421	2.411	70	20	DEID	
CCOCCC1(CNC(=O)[C@H](C)OC[C@H]2CCCO2)CCC1	161245372	HPWMWBYBNBZSOZ-LSDHHAIUSA-N	313.438	2.284	70	20	DEID	
CC(C)CCOCCNS(=O)(=O)Cc1c(F)cccc1F	161433064	AKDOXNUCUKQWJA-UHFFFAOYSA-N	321.389	2.447	70	20	DEID	
C[C@@H]1CC(NC(=O)Nc2cnn(-c3ccccn3)c2)C[C@@H](C)O1	161477070	HXCFPJBOAOXENA-VXGBXAGGSA-N	315.377	2.345	70	20	DEID	
COc1ccccc1[C@@H]1CCN(C(=O)NCCn2cccn2)C1	160041560	ITQMXJJHGLGUPC-CQSZACIVSA-N	314.389	2.091	70	20	DEID	
O=C(CCN1C(=O)COc2ccccc21)NCC1(C2CC2)CC1	160047090	SNKUIKFBFGRULM-UHFFFAOYSA-N	314.385	2.109	70	20	DEID	
CCCCn1ncc(NS(=O)(=O)CCOC(C)C)c1C	160197830	YWYXVJXNVDKQNT-UHFFFAOYSA-N	303.428	2.158	70	20	DEID	
C[C@]1(O)CCCN(C(=O)Nc2ccc(Cn3cccn3)cc2)C1	160353023	LWSSEMWALIZEKM-KRWDZBQOSA-N	314.389	2.310	70	20	DEID	
O=C(NC1(CO)CC1)c1csc(CCc2ccccc2)n1	160401437	SKLFJJQBVLSCOZ-UHFFFAOYSA-N	302.399	2.183	70	20	DEID	
COC(=O)c1csc(NC(=O)C(=O)N(CC(C)C)C2CC2)c1	160986744	YIOBTSYPWAVSJX-UHFFFAOYSA-N	324.402	2.120	70	20	DEID	
O=C(/C=C/c1ccc2c(c1)OCO2)NC[C@@H](O)c1ccsc1	159604808	UHMKRKSSXYSPIO-CXLRFSCWSA-N	317.366	2.340	70	20	DEID	
CC(=O)N1CC[C@H](NC(=O)[C@H](C)CCc2ccccc2F)C1	159444141	JEMIMLOLARDULJ-DOMZBBRYSA-N	306.381	2.131	70	20	DEID	
O=C(Nc1ccc2c(c1)ncn2-c1ccccc1)C(=O)NC1CC1	159730824	CTKIELICTBZAHP-UHFFFAOYSA-N	320.352	2.243	70	20	DEID	
CC(C)CN(CC(N)=O)C(=O)[C@H](C)Oc1ccccc1Cl	159732768	AGRIHHIVZOBIJH-NSHDSACASA-N	312.797	2.077	70	20	DEID	
CCCCn1ncc(NC(=O)N[C@H](C)[C@@H](CO)SC)c1C	159949959	WTAJIZPSWMZTLI-ZWNOBZJWSA-N	314.455	2.226	70	20	DEID	
COCCN(C)C(=O)c1cc(C)n(-c2ccc(F)cc2F)n1	159958911	FEAYSQFVRXQAAM-UHFFFAOYSA-N	309.316	2.177	70	20	DEID	
CNC(=O)CC1CCN(C(=O)c2ccc(Cl)nc2C)CC1	159771624	TVPUPCNEMZRKCM-UHFFFAOYSA-N	309.797	2.032	70	20	DEID	
CC(C)(N)CNC(=O)CCOc1cccc(Br)c1	159991499	GMJJZRZSMKKCLZ-UHFFFAOYSA-N	315.211	2.072	70	20	DEID	
CCC1(C(=O)Nc2ccc(C)c(S(=O)(=O)F)c2)COC1	857675680	XMBOQOUGOPCDEV-UHFFFAOYSA-N	301.339	2.018	70	20	DEID	
CCC[C@H](CNC(=O)c1ccc(S(=O)(=O)F)cc1C)OC	1349709025	WQNXWLSEWMKANW-LLVKDONJSA-N	317.382	2.198	70	20	DEID	
CCNC(=O)NC(=O)[C@@H](C)N[C@@H](CC)c1ccc(F)cc1F	161008991	GSRHXLVGQSSBQU-RNCFNFMXSA-N	313.348	2.240	70	20	DEID	
COC(=O)C(C)(C)c1ccc(NC(=O)[C@@H]2CC[C@H](N)C2)cc1	161040117	HSMWSTFUCIWIHP-YPMHNXCESA-N	304.390	2.203	70	20	DEID	
CC[C@@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1nccs1	161154172	FJOVEACVCMQSGE-RKDXNWHRSA-N	307.341	2.347	70	20	DEID	
Cn1cc(NC(=O)NCCNc2ccc3ccccc3n2)cn1	161161436	NRHYLQYDOCVFAT-UHFFFAOYSA-N	310.361	2.202	70	20	DEID	
C[C@@H]1COCCN1C(=O)Cc1cccc(OC(F)(F)F)c1	161259336	QSYWWLYJMQHVDU-SNVBAGLBSA-N	303.280	2.375	70	20	DEID	
CCC(CC)(CN)C(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C	161290425	YUQFSOUTHXBUSJ-CQSZACIVSA-N	306.454	2.466	70	20	DEID	
CNC(=O)c1ccc(NC(=O)c2cnc(C)cn2)c(Cl)c1	160204358	PYXZEOXXDRMYTH-UHFFFAOYSA-N	304.737	2.050	70	20	DEID	
C[C@H](CC(=O)NCCN1C(=O)Cc2ccccc21)c1ccncc1	160334541	HESIGCBZVWMXGN-CQSZACIVSA-N	323.396	2.281	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)c1cnn(Cc2ccccc2)c1	160427997	WGPNDKRDEVYBMN-CYBMUJFWSA-N	315.373	2.003	70	20	DEID	
CCC(CC)CNC(=O)NC[C@H](O)COc1ccc(F)cc1	160537728	RZDQKHRTETUWFU-AWEZNQCLSA-N	312.385	2.301	70	20	DEID	
CCc1nncn1CCNC(=O)[C@@H](CC)c1ccc(F)cc1	160569716	HWNCICPFDJSVCA-AWEZNQCLSA-N	304.369	2.290	70	20	DEID	
Cn1cnc2cc(C(=O)Nc3ccc4c(c3)NC(=O)CC4)cnc21	160605736	HBVZFCRATLDQEZ-UHFFFAOYSA-N	321.340	2.105	70	20	DEID	
O=C(C[C@H]1CCCN1)NC[C@H](O)c1c(Cl)cccc1Cl	160686431	VVJGPPMIWLBPAF-SKDRFNHKSA-N	317.216	2.285	70	20	DEID	
CCNC(=O)CCCC(=O)N[C@H]1CCOC2(CCCCC2)C1	160715597	CMRVCFJGOMWXKU-AWEZNQCLSA-N	310.438	2.291	70	20	DEID	
CCN(C(=O)Nc1nnc(CCCC(=O)OC)s1)C(C)C	160765531	PEVFTFZWLYQVBC-UHFFFAOYSA-N	314.411	2.296	70	20	DEID	
Cn1cnc2cc(C(=O)NCCC[C@@H]3CCCC[C@H]3O)cnc21	160905695	UOQUKDRZAFGTIZ-SWLSCSKDSA-N	316.405	2.029	70	20	DEID	
COc1ccc2cc(CNC(=O)C[C@H]3COC(=O)C3)ccc2c1	160931085	OPCMUUOAJLNQDP-CYBMUJFWSA-N	313.353	2.418	70	20	DEID	
CCN1CCCN(C(=O)NCCCCN2CCC(C)CC2)CC1	159638041	IWZFQGUREDSHLH-UHFFFAOYSA-N	324.513	2.236	70	20	DEID	
c1csc(-c2nc(CSCCN3CCOCC3)no2)c1	159874868	WKKPVTDNORQRDO-UHFFFAOYSA-N	311.432	2.364	70	20	DEID	
C[C@H](CNC(=O)N(C)CC1CCOCC1)CN1CCCCC1	159756844	FXFGRSNRNDMARS-OAHLLOKOSA-N	311.470	2.176	70	20	DEID	
CCn1cnnc1CNC(=O)[C@H](Cc1ccccc1)C(C)C	159953821	WTIHMFFEFQDQAG-OAHLLOKOSA-N	300.406	2.429	70	20	DEID	
CS[C@H](C)CC(=O)Nc1cccc(C(=O)N2CCOCC2)c1	159961480	ZQUPIIPHFNROSQ-GFCCVEGCSA-N	322.430	2.239	70	20	DEID	
Cc1ccc(NC(=O)CCNC(C)(C)C)cc1S(=O)(=O)F	906053952	SQYIDQUTYQEFOG-UHFFFAOYSA-N	316.398	2.370	70	20	DEID	
C#CC[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)c1ccccc1	1348034926	NSOVFIMUOZSJCV-CYBMUJFWSA-N	320.345	2.167	70	20	DEID	
CC(=O)c1ccc(OCCCC(=O)N[C@H]2CCC[C@H](N)C2)cc1	161172580	MFCKIPSQAYTQSA-HOTGVXAUSA-N	318.417	2.434	70	20	DEID	
COCCN(CC(F)(F)F)C(=O)Cc1nc(C)sc1C	161381095	FDNRUAGNLHZXTF-UHFFFAOYSA-N	310.341	2.340	70	20	DEID	
CC(C)CS(=O)(=O)CC(=O)N1CCc2c(Cl)cccc21	161495912	HRHAAEQWMHOREB-UHFFFAOYSA-N	315.822	2.300	70	20	DEID	
CS(=O)(=O)CCCC[S@](=O)c1ccc2c(c1)CCC2	160417911	RCKFYUZQNBMXQB-GOSISDBHSA-N	300.445	2.108	70	20	DEID	
CC[C@@H](O)CCNC(=O)c1ccc(-n2cnc3ccccc32)nc1	160418667	PQGGWPDQGNIIQV-CQSZACIVSA-N	324.384	2.311	70	20	DEID	
CCCNC(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O	160660340	ZBAKXHOJWJKWHA-GFCCVEGCSA-N	313.760	2.294	70	20	DEID	
CC(C)CSCCCNC(=O)c1ccccc1OCC(N)=O	160680764	REAMOXDJWZMGPB-UHFFFAOYSA-N	324.446	2.060	70	20	DEID	
Cc1cccc(OC[C@H](C)NC(=O)N2CCC[C@@](C)(O)C2)c1	160833437	UVQFXISKTULDKH-WMLDXEAASA-N	306.406	2.319	70	20	DEID	
C[C@H](NC(=O)[C@H](O)c1ccccc1)c1ccc2c(c1)CCC(=O)N2	159863202	XGXCRWPVWZXYTP-KPZWWZAWSA-N	324.380	2.482	70	20	DEID	
CCn1c(=O)n(CC(=O)NCC2(C3CC3)CC2)c2ccccc21	159703565	SKIADDBEAOHFOC-UHFFFAOYSA-N	313.401	2.129	70	20	DEID	
O=S(=O)(NC[C@@H](O)C1CCCCC1)c1ccc(F)c(F)c1	159552076	GZAXRQQCFRGKQZ-CQSZACIVSA-N	319.373	2.184	70	20	DEID	
C[C@@H]1Cc2ccccc2N1C(=O)CN(C)C[C@@H]1CCC[C@@H]1O	159752692	GXQONIJGGLWQTQ-KMFMINBZSA-N	302.418	2.057	70	20	DEID	
Cc1ccccc1-n1cc(C(=O)Nc2c[nH]c(=O)c(C)c2)cn1	159370747	MTNFWKDRZQLGGH-UHFFFAOYSA-N	308.341	2.430	70	20	DEID	
O=C(CNCC1CC1)N1CC[C@@H](COCc2ccccc2)C1	161326442	YMICCDOHWORYJW-QGZVFWFLSA-N	302.418	2.051	70	20	DEID	
Cc1cccc(N(C)C(=O)c2ccc(S(=O)(=O)F)cc2)n1	864240157	VNEJQSOPHAKTGG-UHFFFAOYSA-N	308.334	2.325	70	20	DEID	
O=C(NC1Cc2ccccc2C1)c1cccc(S(=O)(=O)F)c1	1338260082	JGQDQEQLINLWNX-UHFFFAOYSA-N	319.357	2.242	70	20	DEID	
O=C(c1cc(S(=O)(=O)F)ccc1Cl)N1C[C@H]2C[C@@H]2C1	1355010133	OAAQTVZDFRVZQJ-HTQZYQBOSA-N	303.742	2.090	70	20	DEID	
Cc1ccccc1CN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1527341164	MHKZKXVKVKUKBE-UHFFFAOYSA-N	310.350	2.254	70	20	DEID	
COC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@H](Oc2ccccc2Cl)C1	161225960	PHQPDUVITXQLSB-SDDRHHMPSA-N	323.776	2.129	70	20	DEID	
C[C@H](C(=O)Nc1ccc(N2CCNC2=O)cc1)C1CCOCC1	161231109	CRBNNDDUZQCZMM-LBPRGKRZSA-N	317.389	2.217	70	20	DEID	
C[C@]1(NC(=O)Nc2ccn(Cc3ccccc3)n2)CCOC1	161396519	QUWWQZJPTGZMHZ-INIZCTEOSA-N	300.362	2.232	70	20	DEID	
CCCO[C@@H]1CCCN(C(=O)[C@@H]2CCn3ccnc3C2)CC1	161510637	OIBZSZVRKWDMJW-HUUCEWRRSA-N	305.422	2.253	70	20	DEID	
CC(C)CCOC1CCN(C(=O)[C@H]2CCn3ccnc3C2)CC1	160081842	OMUPGDXAYALPPB-HNNXBMFYSA-N	319.449	2.499	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)COc1ccc(Cl)c(C)c1	160145364	YVCNCKFBZGYBRZ-LLVKDONJSA-N	313.781	2.485	70	20	DEID	
CN(C)CCCC1CCN(C(=O)NCCCn2cccn2)CC1	160182063	XKNFEUWBCUVRSU-UHFFFAOYSA-N	321.469	2.037	70	20	DEID	
CC[C@H](C)N(C)CCNC(=O)c1cnn(C2CCOCC2)c1C	160501050	NOIAGUMWSXPUAU-ZDUSSCGKSA-N	322.453	2.003	70	20	DEID	
CCOc1c(Cl)cc(C(=O)N2CC[C@H](NC)C2)cc1OC	160520881	DRLDJWJKUIZYKS-NSHDSACASA-N	312.797	2.181	70	20	DEID	
COc1ccc(CCCN(C)C(=O)c2cccc(=O)n2C)cc1	160766939	NUXRXYSZHZCLBF-UHFFFAOYSA-N	314.385	2.099	70	20	DEID	
O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)N(CCO)C1CC1	160801167	DEDFUGFTGGVVEK-GOEBONIOSA-N	304.390	2.073	70	20	DEID	
CC[C@H](O)CCNC(=O)NCc1ccc(CN(CC)CC)cc1	160827103	WXPPSKLXVGQISJ-KRWDZBQOSA-N	321.465	2.489	70	20	DEID	
C[C@@]1(CNC(=O)Nc2ccn(CC(F)(F)F)n2)CCCO1	160843852	CYXGVOGGWTURNJ-NSHDSACASA-N	306.288	2.136	70	20	DEID	
COC(=O)c1csc(NC(=O)NCC[C@@H](O)C(C)C)c1	160887223	IGFLFMHXCINQMJ-SNVBAGLBSA-N	300.380	2.063	70	20	DEID	
CCC(CC)(CNCC(=O)N[C@H](C)c1ccccc1)C(=O)OC	159650489	SCLSZNJIWPDYPE-CQSZACIVSA-N	320.433	2.433	70	20	DEID	
NS(=O)(=O)c1cccnc1N[C@@H]1CCCc2sccc21	161070919	BBSZLEVMQVRDFX-SNVBAGLBSA-N	309.416	2.280	70	20	DEID	
CO[C@](C)(C(=O)Nc1ccc(C)c(S(=O)(=O)F)c1)C1CC1	857673893	NCOUHSVQNFMCTG-AWEZNQCLSA-N	315.366	2.407	70	20	DEID	
O=[N+]([O-])c1ccc(N2CCC=C(F)C2)c(CS(=O)(=O)F)c1	882167427	HPRVROJCOXAKTA-UHFFFAOYSA-N	318.301	2.458	70	20	DEID	
C[C@@H](CCO)CNC(=O)c1csc(Cc2ccccc2)n1	161030026	WKHSDEOBFWLRSY-LBPRGKRZSA-N	304.415	2.482	70	20	DEID	
CC(C)(O)[C@@H]1CCCN1S(=O)(=O)c1c(F)cc(F)cc1F	161130613	PHIBTPPMEUYVMP-NSHDSACASA-N	323.336	2.028	70	20	DEID	
N[C@@H](Cc1ccccc1)C(=O)NCCOC1CCCCCC1	160087291	MRXNDRJIYHYNEV-KRWDZBQOSA-N	304.434	2.412	70	20	DEID	
CCc1n[nH]c(=O)c(CNC(=O)N2CC[C@H](C)C[C@@H]2C)c1CC	160349281	YVVBACCQAWEDFC-RYUDHWBXSA-N	320.437	2.225	70	20	DEID	
CC[C@@H](C)NC[C@@H](c1ccc(OC)c(OC)c1)N1CCOCC1	160352357	NCAACFOCJIXKLD-ZBFHGGJFSA-N	322.449	2.465	70	20	DEID	
CC(C)C(=O)NCCCNC(=O)Nc1ccccc1N(C)C	160405350	BNLZQZJCSZKKHP-UHFFFAOYSA-N	306.410	2.036	70	20	DEID	
CN(CCc1ccncc1)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1	160484261	NQBJXCBRAOZXRI-CVEARBPZSA-N	303.406	2.223	70	20	DEID	
O=C(Nc1cccc(-c2nnnn2C2CC2)c1)[C@@H]1CCCCO1	160499010	KMHVOFXWWVXWDD-AWEZNQCLSA-N	313.361	2.183	70	20	DEID	
COc1ccc([C@@H](C)N[C@@H]2CCc3nc(C)nn3C2)c(OC)c1	160519884	FCMRPRYIUAIWDK-DGCLKSJQSA-N	316.405	2.269	70	20	DEID	
O=C(NCc1csc(-c2ccco2)n1)c1ncccc1O	160523367	OTULGNNHWNNEGH-UHFFFAOYSA-N	301.327	2.434	70	20	DEID	
CCOCCC1(C(=O)N2CCN(c3ccncc3)CC2)CCC1	160695628	ZBVZHKUPOVBWJA-UHFFFAOYSA-N	317.433	2.327	70	20	DEID	
COC(=O)CN(C(=O)c1cc(F)cc2[nH]cnc12)C1CCCC1	160819992	QMPPXWAYDUFVTF-UHFFFAOYSA-N	319.336	2.260	70	20	DEID	
C[C@H](C(=O)NCC1(C2CC2)CC1)n1nnc(-c2ccccc2)n1	159652256	HSVHVAWKOMYWEL-GFCCVEGCSA-N	311.389	2.208	70	20	DEID	
CSCCCCC(=O)NCc1nc(-c2ccncc2)no1	159485402	WXDMZVOQWVIPSS-UHFFFAOYSA-N	306.391	2.281	70	20	DEID	
COc1ccc(S(=O)(=O)N[C@@H](C)Cc2c(C)noc2C)cc1	159892104	KOXMCVMBKPSVKK-JTQLQIEISA-N	324.402	2.210	70	20	DEID	
CCOc1ccc2cc(C(=O)N(CC(N)=O)CC(C)C)[nH]c2c1	159700047	ZQQOROQGJUIJHY-UHFFFAOYSA-N	317.389	2.150	70	20	DEID	
CC(C)CNC(=O)[C@@H](C)Nc1ccccc1O[C@H]1CCOC1	159923795	OMSDOUVKNVCLCM-KGLIPLIRSA-N	306.406	2.427	70	20	DEID	
CCC[C@H](Nc1cnn(C)c(=O)c1Cl)C(=O)OC(C)(C)C	159991241	VDHZULKJSHNXHH-VIFPVBQESA-N	315.801	2.356	70	20	DEID	
CC1(C(=O)Nc2ccc(S(=O)(=O)F)c(F)c2)CCOCC1	857675001	XYBRWEDXCUPHNX-UHFFFAOYSA-N	319.329	2.239	70	20	DEID	
COc1ccc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)c(C)c1	1338259686	GHJJVHDTYLEIQS-UHFFFAOYSA-N	312.322	2.242	70	20	DEID	
CCN(CC(=O)Nc1c(C)cccc1C)C(=O)[C@@H]1CCCCN1	161059801	CPMVQNFYXLOJCX-HNNXBMFYSA-N	317.433	2.233	70	20	DEID	
COC[C@H](C)NC(=O)C(=O)Nc1cccc(C(F)(F)F)c1C	161067206	DCSJOHQCANSLEN-QMMMGPOBSA-N	318.295	2.103	70	20	DEID	
N[C@@H]1CCC[C@@H](NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)C1	161125481	OEIWXZARQSWWRQ-VXGBXAGGSA-N	324.808	2.040	70	20	DEID	
Cn1cc(C(=O)C(=O)N2CCC(C)(c3ccccc3)CC2)cn1	161174577	CHRSVFKQPSFYIY-UHFFFAOYSA-N	311.385	2.183	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)c1ccc(C)c(NC(C)=O)c1	160437477	WHUHFYFFRFAACL-LLVKDONJSA-N	306.362	2.025	70	20	DEID	
Cc1nnc(CN2CCC(c3cnn(C)c3)CC2)n1C1CC1	160450121	WHNXVNKMUXORHZ-UHFFFAOYSA-N	300.410	2.035	70	20	DEID	
CC[C@@H](C)CS(=O)(=O)N1CCN(C)c2cc(F)ccc21	160906048	QVKQJVUGGCKLJN-LLVKDONJSA-N	300.399	2.458	70	20	DEID	
CC[C@H](O)CCNC(=O)NCc1ccnc(OC2CCCC2)c1	160961292	KLWYVUIQLMQUBY-AWEZNQCLSA-N	321.421	2.363	70	20	DEID	
CSc1nc2ncn(Cc3noc(C(C)C)n3)c(=O)c2s1	159600258	WEKBBDHPBFLWAV-UHFFFAOYSA-N	323.403	2.130	70	20	DEID	
CCCC1(CNC(=O)N2CCC[C@@H]2C(=O)NC2CC2)CCC1	159818399	OGZDMYQKXUJPIW-CQSZACIVSA-N	307.438	2.409	70	20	DEID	
COc1ccc(N(C)C(=O)CCNC(=O)CC(C)C)cc1F	159840156	JMCHIKVUPNHTQA-UHFFFAOYSA-N	310.369	2.350	70	20	DEID	
C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)NCCCF	159522755	FFIGRFVANTWXAW-NWDGAFQWSA-N	317.405	2.433	70	20	DEID	
CCN1CCCN(C(=O)NCCCN(C)c2ccccc2)CC1	159538138	QFYBBOCICOROOO-UHFFFAOYSA-N	318.465	2.250	70	20	DEID	
O=C(NCCc1cscn1)N1CCCC[C@@H]1c1ncc[nH]1	159368831	DNQFDHUSYHFMFZ-GFCCVEGCSA-N	305.407	2.346	70	20	DEID	
CCC[C@](C)(O)C(=O)NCc1ccc(O)c(Br)c1	159760999	LATHOZQRVMTNLR-ZDUSSCGKSA-N	316.195	2.322	70	20	DEID	
NC(=O)[C@H]1CCCN1C1CCN(Cc2cccc(Cl)c2)CC1	159386347	JMTKBPNWSLMFDX-MRXNPFEDSA-N	321.852	2.254	70	20	DEID	
COC(=O)c1ccc(NC(=O)NCc2ncccc2F)cc1	159981131	ZIZGPPUTUJWHGJ-UHFFFAOYSA-N	303.293	2.329	70	20	DEID	
O=C(/C=C/c1nccs1)Nc1cccc(S(=O)(=O)F)c1	1337342074	BTUKKNJPATUKES-SNAWJCMRSA-N	312.347	2.453	70	20	DEID	
CC(C)(C)n1cc(NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cn1	161285952	KFHRWPFYWMBTCO-LSDHHAIUSA-N	314.389	2.418	70	20	DEID	
CC(C)(C)c1nsc(N2CCC(N3CCCNC3=O)CC2)n1	160050794	YOPWHAUGXXFLNK-UHFFFAOYSA-N	323.466	2.220	70	20	DEID	
Cc1nn(C)c(C)c1[C@@H](OC(=O)c1ccnn1C)C(F)(F)F	160142323	XRDBJCIULZTOIM-LLVKDONJSA-N	316.283	2.231	70	20	DEID	
CN(C)CCN(C(=O)N[C@H]1CCO[C@@H](C2CC2)C1)C1CCCC1	160442583	ABUXOTDJQOCOBV-DOTOQJQBSA-N	323.481	2.460	70	20	DEID	
O=C(Cc1cccs1)NC1CCN([C@@H]2CCCC[C@H]2O)CC1	160505229	YGEDENRYMKERPK-HZPDHXFCSA-N	322.474	2.175	70	20	DEID	
CCn1nc(C)c([C@@H](C)N[C@@H]2CCc3nc(C)nn3C2)c1C	160515515	NQMNYGRJPWSYCX-QMTHXVAHSA-N	302.426	2.085	70	20	DEID	
CC(C)(C)[C@@H](NC(=O)C1(NC(N)=O)CC1)c1ccc(F)cc1	160730621	KKSBJLAUXQNWSP-LBPRGKRZSA-N	307.369	2.230	70	20	DEID	
CCc1ccc([C@H](CNC(=O)NCC[C@H](O)CC)N(C)C)cc1	160745069	ZXWJBPSPPOWXJJ-SJORKVTESA-N	321.465	2.312	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(F)c(F)c1	160755996	LZIUFCAZLNINJI-NXEZZACHSA-N	315.316	2.190	70	20	DEID	
CCOc1ccc(OCC(=O)NOCc2cccnc2)cc1	160784647	WXZONCNLETYALS-UHFFFAOYSA-N	302.330	2.107	70	20	DEID	
C[C@H]1C[C@H](C)CN(C(=O)CCCNC(=O)c2cccnc2)C1	160934806	QWNQSZFRJZCREZ-KBPBESRZSA-N	303.406	2.096	70	20	DEID	
COCCC[C@@H](NCCO)c1ccc(Br)cc1	159691483	WRAHFSHSVCFRCD-CYBMUJFWSA-N	302.212	2.499	70	20	DEID	
CSC1(C(=O)Nc2ccc(C)c(S(=O)(=O)F)c2)CC1	857675072	ADTVDNRAUVNSQO-UHFFFAOYSA-N	303.380	2.487	70	20	DEID	
Cc1ccc(NC(=O)[C@@]2(C)CCOC2)cc1S(=O)(=O)F	857675571	SSHHPJLHGVIVKA-ZDUSSCGKSA-N	301.339	2.018	70	20	DEID	
C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cc(S(=O)(=O)F)c[nH]1	1348695324	AXGHJJYFEDCQAN-GIPNMCIBSA-N	314.382	2.466	70	20	DEID	
COc1cccc(CNCCNC(=O)OC(C)(C)C)c1OC	218118713	AWIUWALKLXTKCD-UHFFFAOYSA-N	310.394	2.318	70	20	DEID	
CCC[C@H](N)C(=O)Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1	161040114	DJLJGTKIALVKSU-HRCADAONSA-N	306.406	2.435	70	20	DEID	
CCC1(C(=O)N[C@@H]2CCN(c3ccccc3OC)C2=O)CCC1	161298101	PAEPSMXYHUPQMQ-CYBMUJFWSA-N	316.401	2.497	70	20	DEID	
CCN1CCC[C@@H]1CNC(=O)N[C@@H](C)[C@@H]1COc2ccccc21	161502843	LINPAUHBDMFGIK-LZWOXQAQSA-N	317.433	2.335	70	20	DEID	
CC(C)(C)[C@@H](CC1CCCCC1)NC(=O)C[C@@H]1NC(=O)NC1=O	160100899	WXNLESWPMDKENI-QWHCGFSZSA-N	323.437	2.086	70	20	DEID	
CCCc1noc(CCCC(=O)NCCc2cccc(O)c2)n1	160254006	DFWDUNATYBLGNF-UHFFFAOYSA-N	317.389	2.409	70	20	DEID	
CC(C)(C)c1nsc(NC[C@@H]2COC3(CCOCC3)O2)n1	160289394	IMANFYLHSUUVPN-SNVBAGLBSA-N	313.423	2.170	70	20	DEID	
CC(C)(C)CN(CCCO)C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1	160324840	BERAUQINHFTJJZ-HUUCEWRRSA-N	312.454	2.384	70	20	DEID	
CS(=O)(=O)Cc1ccc(NC(=O)[C@@H]2C[C@H]2C2CC2)cc1F	160443979	MGTTWXQQSZXLGD-QWHCGFSZSA-N	311.378	2.355	70	20	DEID	
COC(=O)c1[nH]c(C)c(C(=O)NC[C@H](CC(C)C)N(C)C)c1C	160453361	SDOCUGAJTWBLQI-ZDUSSCGKSA-N	323.437	2.124	70	20	DEID	
O=C1CCCC[C@H]1[C@@H]1COCCN1C(=O)c1cccc(Cl)n1	160482337	NILLJFCQKNQJST-AAEUAGOBSA-N	322.792	2.335	70	20	DEID	
Cn1cnnc1CSc1ncnc2c1cnn2-c1ccccc1	160928736	RCELYQCXXIUNBY-UHFFFAOYSA-N	323.385	2.236	70	20	DEID	
CN(C)c1cc(C(F)(F)F)nc(N2CCOC[C@@H]2C2CC2)n1	159635171	PXDDSSVCCPSRJL-SNVBAGLBSA-N	316.327	2.177	70	20	DEID	
COc1ccc(CN(C)Cc2ccc(C(=O)N(C)C)[nH]2)cc1	159853759	BTJWNDPZXCQPGU-UHFFFAOYSA-N	301.390	2.357	70	20	DEID	
C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)NCCCF	159523022	FFIGRFVANTWXAW-RYUDHWBXSA-N	317.405	2.433	70	20	DEID	
Cc1ccc(NC(=O)[C@H]2CCCOC2)cc1S(=O)(=O)F	857675452	NZWCDPZHJKNOBN-JTQLQIEISA-N	301.339	2.018	70	20	DEID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)NCCC(F)(F)F	1121063691	JZIWPLTYFMXPHH-UHFFFAOYSA-N	313.272	2.335	70	20	DEID	
COCc1ccccc1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1336406694	OFUCFQORMDLGPS-UHFFFAOYSA-N	312.322	2.072	70	20	DEID	
O=C(c1cnsn1)N1CCN(Cc2ccccc2Cl)CC1	161376231	DNZUYOPPWVXFSS-UHFFFAOYSA-N	322.821	2.150	70	20	DEID	
C[C@@H]1CCN(C(=O)C[C@@H]2CNCCO2)[C@@H]1c1cccc(F)c1	161486648	MHUPYMONMCGRNY-VMGRFDJRSA-N	306.381	2.114	70	20	DEID	
Cc1cccc([C@@H](NC(=O)c2nccnc2N)c2ccccn2)c1	160111961	MSRMGAOXFCQZFO-OAHLLOKOSA-N	319.368	2.282	70	20	DEID	
CCOC(=O)c1c(C)[nH]c(C(=O)N(CCCCO)C2CC2)c1C	160189077	QOHOZJGNULXBNN-UHFFFAOYSA-N	322.405	2.185	70	20	DEID	
COc1ccc(C(=O)Nc2ccc(C)cc2CN(C)C)nn1	160324973	HZZUIUITEZQHSM-UHFFFAOYSA-N	300.362	2.108	70	20	DEID	
CCN(CCC(=O)c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1	160345420	HMFGESSWSDZNCT-HNNXBMFYSA-N	309.431	2.077	70	20	DEID	
CCN(CC)CCCNC(=O)NCCc1nc(C)c(C)s1	160662157	WLZPEAUKOWVPKB-UHFFFAOYSA-N	312.483	2.334	70	20	DEID	
CC(C)c1ccc(C(=O)Nc2ccc(-n3cncn3)nc2)cn1	160736205	ULUOTUOUTIITHT-UHFFFAOYSA-N	308.345	2.433	70	20	DEID	
CC(=O)c1cccc(NC(=O)[C@@H](C)Nc2cc(C)n(C)n2)c1	159619611	YOQZAUWJECBGKU-LLVKDONJSA-N	300.362	2.370	70	20	DEID	
Cc1ccc(S(=O)(=O)N(C)CCc2nccs2)cc1F	159647714	JIMQWTIKMXCYDB-UHFFFAOYSA-N	314.407	2.454	70	20	DEID	
CC[C@H](NC(=O)Nc1ccc(C(=O)NC)cc1)[C@@H]1CCCO1	159852206	NCNSPMQAAZGJAL-KBPBESRZSA-N	305.378	2.125	70	20	DEID	
CC[C@H](NC(=O)Nc1cccc(C(=O)NC)c1)[C@@H]1CCCO1	159871718	HYCXBBFQXDNLFY-KBPBESRZSA-N	305.378	2.125	70	20	DEID	
CO[C@H](CNC(=O)c1cnc2c(c1)ncn2C)c1ccccc1	159722431	HFRYEFJTYHWXEA-OAHLLOKOSA-N	310.357	2.086	70	20	DEID	
COC(=O)Cn1cc(CCSc2cccc(Cl)c2)nn1	159745592	GKIHPCCFYOMMQM-UHFFFAOYSA-N	311.794	2.439	70	20	DEID	
CS(=O)(=O)NCC[C@@H]1CCCCN1Cc1ccsc1	159458224	HKNJZOGLZASUHI-ZDUSSCGKSA-N	302.465	2.042	70	20	DEID	
O=S(=O)(Cc1noc2ccccc12)N1CCC(F)(F)CC1	218387867	FMNCWVKZQIQXQW-UHFFFAOYSA-N	316.329	2.389	70	20	DEID	
CC[C@@H]1CC[C@H](C(=O)Nc2cccc(S(=O)(=O)F)c2)O1	460093461	NYJISGSAZKEYLK-ZYHUDNBSSA-N	301.339	2.241	70	20	DEID	
N#C[C@H](NC(=O)Cc1ccc(S(=O)(=O)F)cc1)C1CCCC1	1121140410	RGKYJDILWFCTHJ-AWEZNQCLSA-N	324.377	2.086	70	20	DEID	
CC(C)CCNC(=O)CCc1ccc(S(=O)(=O)F)cc1	1120877408	HRVBXMNHRNAJEO-UHFFFAOYSA-N	301.383	2.440	70	20	DEID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N=[S@](C)(=O)C(C)C	1121231982	BHRFEKUCEOVSHA-LJQANCHMSA-N	321.395	2.300	70	20	DEID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)NCC(C)(C)CC#N	1338192898	CEQHNOPCDOYGPE-UHFFFAOYSA-N	312.366	2.323	70	20	DEID	
COCCC1(CNC(=O)N2CCN(C3CCCC3)CC2)CC1	161027890	XPQICVSHEHTNSZ-UHFFFAOYSA-N	309.454	2.073	70	20	DEID	
CCOc1c(Cl)cc(C(=O)NC[C@@H](C)CCO)cc1OC	161042690	PBQYCKKEZPGIGY-JTQLQIEISA-N	315.797	2.496	70	20	DEID	
COc1cccc(O[C@H](C)CNC(=O)[C@H]2CCC[C@H](N)C2)c1	161129006	FNHIKNSWEMWILR-RDBSUJKOSA-N	306.406	2.096	70	20	DEID	
COc1ccc(NC(=O)c2cc(OC)c(OC)cc2F)cn1	161234980	JDHFTMUIOVPEDJ-UHFFFAOYSA-N	306.293	2.499	70	20	DEID	
COc1ccccc1S(=O)(=O)N(CCCO)CC(C)(C)C	161340567	BNIDYOPULOERBM-UHFFFAOYSA-N	315.435	2.114	70	20	DEID	
C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@H]1CCCS1	161452604	WZSQEAPDEDQLJS-VXGBXAGGSA-N	314.451	2.350	70	20	DEID	
Cc1ccc(CCNC(=O)c2ccc3[nH]c(=O)n(C)c3c2)c(C)c1	161475851	RAHMJJFQNNXNRA-UHFFFAOYSA-N	323.396	2.456	70	20	DEID	
C[C@H](c1cnn(C)c1)N(C)C(=O)c1cnc(C(F)(F)F)nc1	160087254	LMBWOSIOBILRGB-MRVPVSSYSA-N	313.283	2.062	70	20	DEID	
CC[C@H](NC(=O)c1ccc2c(c1)nnn2C)c1c(C)noc1C	160605819	MUIAWJXPLXTIMP-LBPRGKRZSA-N	313.361	2.454	70	20	DEID	
CCc1nsc(N(C)Cc2nc3ccsc3c(=O)[nH]2)n1	160632395	ZWBNMXNLMOKLNZ-UHFFFAOYSA-N	307.404	2.035	70	20	DEID	
CC[C@H](C(=O)NCCOc1ncc(Cl)cc1Cl)N(C)C	160744586	YEDASTOAXYKWSF-LLVKDONJSA-N	320.220	2.224	70	20	DEID	
COCCn1cc(NC(=O)c2cc(F)cc3cccnc23)cn1	160949870	JEFQPICDMFPSDU-UHFFFAOYSA-N	314.320	2.469	70	20	DEID	
COC(=O)c1cc(C(=O)NC2CCC(OC(C)C)CC2)ccn1	159567306	AVLXSQMPBLMGGR-UHFFFAOYSA-N	320.389	2.334	70	20	DEID	
COC[C@H](O)CCNC(=O)[C@H](C)Sc1ccc(Cl)cc1	161122572	UPHWBJVSOBWMEZ-CMPLNLGQSA-N	317.838	2.334	70	20	DEID	
O=C(NCCOc1ccccc1)c1ccc(S(=O)(=O)F)cc1	864238805	UIHBTCQMAABFNS-UHFFFAOYSA-N	323.345	2.154	70	20	DEID	
CSCCNc1ccc([N+](=O)[O-])cc1CS(=O)(=O)F	881761428	QIJDPWWSRDLKDI-UHFFFAOYSA-N	308.356	2.169	70	20	DEID	
CC1CCC(C)(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1338389958	MWVGOVRFACNRFN-UHFFFAOYSA-N	302.371	2.372	70	20	DEID	
CC(C)[C@H](C#N)NC(=O)c1cc(S(=O)(=O)F)ccc1Cl	1262790078	BARSMBCWHJHCJY-NSHDSACASA-N	318.757	2.276	70	20	DEID	
O=C(Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1)[C@H]1CCCNC1	161040713	NFYOQILUMSTLND-RRQGHBQHSA-N	318.417	2.307	70	20	DEID	
C[C@H]1CCCN(C(C)(C)CNC(=O)[C@@H](O)c2ccccc2)C1	161400052	DQBYRVJAQMRWJR-HOCLYGCPSA-N	304.434	2.347	70	20	DEID	
CCCN(CC)c1ccc(C(=O)N[C@H]2CCC[C@H](N)C2)cn1	161426268	NHKHRRBJMPAPBP-GJZGRUSLSA-N	304.438	2.318	70	20	DEID	
Cc1ccc(NC(=O)NCC2(C(=O)N(C)C)CCCC2)cn1	161461810	VIXINFHOLSOYTB-UHFFFAOYSA-N	304.394	2.160	70	20	DEID	
COc1c(C(=O)NC[C@@H]2[C@H]3c4ccccc4C[C@@H]23)c(C)nn1C	161473214	ZPJRLCPODYRNSJ-DZKIICNBSA-N	311.385	2.053	70	20	DEID	
COc1c(CNC(=O)NCc2ccc(C)cc2)c(C)nn1C	160335449	NHLQGGJIUHOQRE-UHFFFAOYSA-N	302.378	2.045	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)CCCc1ccc(OC)cc1	160380265	GBDJAEBOVCIGTK-CYBMUJFWSA-N	307.390	2.476	70	20	DEID	
Cc1ccc2c(c1)OCCC[C@H]2NCC(=O)NCC(F)(F)F	160541153	QHKNRMZRHJJHDV-GFCCVEGCSA-N	316.323	2.477	70	20	DEID	
C[C@@H]1CN(C(=O)Nc2cccnc2-n2cncn2)CC[C@H]1C	160730674	WTBCKTMVRRYKOG-VXGBXAGGSA-N	300.366	2.172	70	20	DEID	
CC(C)NC(=O)Nc1ccccc1C(=O)N[C@@H](CCO)C(C)C	160734989	XUPVPBCDHXZDAI-AWEZNQCLSA-N	321.421	2.353	70	20	DEID	
O=S(=O)(NCC1(O)CCCCCC1)c1cccc(F)c1F	160978465	XZXYRHUQQWBHPL-UHFFFAOYSA-N	319.373	2.328	70	20	DEID	
CCc1cccc(C)c1NC(=O)C(=O)N[C@@H]1CCC[C@H]1OC	159891588	HWASMJMLLFHEGC-ZIAGYGMSSA-N	304.390	2.180	70	20	DEID	
C[C@@H](NC(=O)N1CCCN(CC(F)F)CC1)c1cccnc1	159906294	CBVFNEHOYKSDNS-GFCCVEGCSA-N	312.364	2.125	70	20	DEID	
CCOCCC1(CNC(=O)c2cccc(-c3ncn[nH]3)c2)CC1	159993440	LTPXJCXVALCFTQ-UHFFFAOYSA-N	314.389	2.408	70	20	DEID	
COC(=O)CCCC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1	159441677	WPQWXFQIMOWANE-GJZGRUSLSA-N	305.374	2.366	70	20	DEID	
C[C@@]1(c2cccnc2)NC(=O)N(Cc2ccc(Cl)cn2)C1=O	159543708	BWENNMMXQPKMCU-HNNXBMFYSA-N	316.748	2.097	70	20	DEID	
CCNc1nc(C(=O)NCCc2nc3ccccc3[nH]2)cs1	159594349	NCDNOOUENQOCSI-UHFFFAOYSA-N	315.402	2.424	70	20	DEID	
Cc1ccccc1CN(C)C(=O)[C@H](C)Nc1cc(C)n(C)n1	159632143	YIGUGQKKBPEPEJ-AWEZNQCLSA-N	300.406	2.496	70	20	DEID	
CC[C@H]1CCC[C@H]1NC(=O)CCNC(=O)OCC(F)(F)F	159635013	GHEOYUQGIKNAGS-VHSXEESVSA-N	310.316	2.360	70	20	DEID	
CC(C)CN(CC(N)=O)C(=O)[C@@H](C)Oc1ccccc1Cl	159732620	AGRIHHIVZOBIJH-LLVKDONJSA-N	312.797	2.077	70	20	DEID	
CCCC[C@@H](COC)NC(=O)Nc1ccnn1C[C@@H]1CCOC1	159884300	VWPICKRMJMAZJP-KBPBESRZSA-N	324.425	2.246	70	20	DEID	
O=C(CC1CCCCC1)NCC(=O)N[C@@H]1CCC[C@H]2OCC[C@H]12	159888830	JKBITICMUCEZOE-BZUAXINKSA-N	322.449	2.147	70	20	DEID	
CC(C)OCCCNC(=O)Nc1ccc(C(C)(C)C(N)=O)cc1	159906223	WWNKYRGWOHWPEG-UHFFFAOYSA-N	321.421	2.386	70	20	DEID	
COC(=O)c1cc(S(=O)(=O)NCC2(C3CC3)CC2)ccc1C	160115870	QRJBSTRHHVLSTN-UHFFFAOYSA-N	323.414	2.250	70	20	DEID	
CC[C@@H](C)Oc1ccc(NC(=O)NCC[C@@H](O)COC)cc1	160120105	OVEWHVXCDPAUOV-TZMCWYRMSA-N	310.394	2.383	70	20	DEID	
CCc1c(C(=O)N[C@@H]2CCc3ccccc32)[nH]c(C)c1C(N)=O	160155226	RMBFYBINCUTLCV-CQSZACIVSA-N	311.385	2.402	70	20	DEID	
COc1c(Cl)cc(Cl)cc1CN1CCC[C@@H]1C(N)=O	160345061	XADDSHRRGFOJTL-LLVKDONJSA-N	303.189	2.452	70	20	DEID	
Cc1ccc(C)c([C@@H]2CCCN2C(=O)CN2CCN(C)CC2)c1	160709831	UWVXDSOLDSNISK-SFHVURJKSA-N	315.461	2.214	70	20	DEID	
CCCCCN(CCCOC)C(=O)Nc1cccn(C)c1=O	160759502	VJHUDCKEKPTLIX-UHFFFAOYSA-N	309.410	2.446	70	20	DEID	
COc1ccc(CNC(=O)C2(N)CC2)c(OC2CCCC2)c1	160898747	XUTXAORUEBJWOU-UHFFFAOYSA-N	304.390	2.124	70	20	DEID	
NS(=O)(=O)c1cnc(N[C@@H]2CCCc3sccc32)s1	161053374	YIWAFKMQYNCTBH-MRVPVSSYSA-N	315.445	2.342	70	20	DEID	
C=Cc1ccc(CCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)cc1	1262787616	CVAWOFOYUDSYPN-UHFFFAOYSA-N	322.361	2.288	70	20	DEID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)c1cc2n(n1)CCCC2	460097635	XDLRKQHBOMKUGN-UHFFFAOYSA-N	323.349	2.130	70	20	DEID	
Cc1ccc(NC(=O)[C@@H]2C[C@]23CCOC3)cc1S(=O)(=O)F	857675279	ITIUJWXLYXSGPE-FZMZJTMJSA-N	313.350	2.018	70	20	DEID	
CC[C@@H](CNc1ccc([N+](=O)[O-])cc1CS(=O)(=O)F)OC	882385078	AYSPXVSOAKVXBB-NSHDSACASA-N	320.342	2.231	70	20	DEID	
C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)F)cc1)C(C)(C)C	1338213745	IOSXQCJACYJXKJ-SNVBAGLBSA-N	301.383	2.438	70	20	DEID	
CC[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CCCC1	1354885455	NHCLBJSJPBMSQJ-LLVKDONJSA-N	302.371	2.372	70	20	DEID	
CCCCCN(CCO)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	161123236	ZQLGHQGXPYWVKN-ZNMIVQPWSA-N	310.438	2.138	70	20	DEID	
O=C(Nc1cnn(CC(F)(F)F)c1)[C@H]1C[C@@H]2CCCC[C@@H]2N1	161190954	SQVHUISQDPGJSL-ZMLRMANQSA-N	316.327	2.305	70	20	DEID	
CCC(CC)(CN)C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C	161269280	UQHGUXOIDGDLRG-HNNXBMFYSA-N	309.429	2.310	70	20	DEID	
CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cc(F)cc3[nH]cnc23)C1	161313226	BLKDINOYJZIKJN-YGRLFVJLSA-N	304.369	2.161	70	20	DEID	
CCO[C@@H](C)C(=O)N1CCN(Cc2ccccc2Cl)CC1	161322292	OJGLHSPCGCWFQJ-ZDUSSCGKSA-N	310.825	2.409	70	20	DEID	
COc1ccc(OCCN2CCN(c3ccncc3)CC2)cc1	161324269	HHKQPGLECGNOGO-UHFFFAOYSA-N	313.401	2.291	70	20	DEID	
CNC[C@@H]1CCCN1C(=O)c1cnc2onc(C(C)C)c2c1	161334349	LLWWRFLGGHKYBI-LBPRGKRZSA-N	302.378	2.170	70	20	DEID	
Cc1cc(C)cc(OCCNC(=O)C2(O)CCSCC2)c1	161423651	GFUODTTVJNRQCY-UHFFFAOYSA-N	309.431	2.057	70	20	DEID	
Cc1cccc([C@@H]2CCCN2CC(=O)Nc2cc(C)nn2C)n1	160092919	YSDVVKCMTJJULS-HNNXBMFYSA-N	313.405	2.208	70	20	DEID	
COc1ccc([C@@H](C)NCCN2CCC(N(C)C)CC2)cc1	160260425	RIWIQNFHDGISIW-OAHLLOKOSA-N	305.466	2.372	70	20	DEID	
O=C(NC[C@H]1CCOC1)c1cncc(-c2ccc3c(c2)CCO3)c1	160271686	NNVALENEIHGMDT-CYBMUJFWSA-N	324.380	2.450	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)c1cnn(Cc2ccccc2)c1	160428111	WGPNDKRDEVYBMN-ZDUSSCGKSA-N	315.373	2.003	70	20	DEID	
Cc1ccc(C(=O)N(C)[C@H](C)CO)cc1NC(=O)c1ccco1	160507991	MADSHEKFGBRNKN-GFCCVEGCSA-N	316.357	2.293	70	20	DEID	
COc1ccccc1OC[C@@H](C)CNC(=O)NC[C@@H]1CCCO1	160571834	FPUQNLFRGCHEMM-KBPBESRZSA-N	322.405	2.188	70	20	DEID	
CNC(=O)CCCN(C)C(=O)Nc1cccc(OC(F)F)c1	160725161	KVFPWQCXLNEMHZ-UHFFFAOYSA-N	315.320	2.278	70	20	DEID	
COC(=O)c1csc(NC(=O)N2CC[C@]3(CCOC3)C2)c1	160773774	MRPAOYYPNWAWLR-AWEZNQCLSA-N	310.375	2.179	70	20	DEID	
CN[C@@H]1CCN(C(=O)[C@H](C)Oc2ccc(F)cc2Cl)C1	160813694	QBICGCMEIXBWAU-GXSJLCMTSA-N	300.761	2.067	70	20	DEID	
CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N(C)Cc2cccn2C)C1	160894469	KMUWRMPSYKSIKI-LSDHHAIUSA-N	319.449	2.268	70	20	DEID	
CCOC(=O)CN(C)[C@H](C)C(=O)N[C@@H](C)c1ccccc1C	159484529	JCOCMAMGDDCXPX-UONOGXRCSA-N	306.406	2.056	70	20	DEID	
CNC(=O)CC1CCN(CCC(=O)c2ccc(C)cc2)CC1	159944601	AQFDTWBFDIXGOS-UHFFFAOYSA-N	302.418	2.416	70	20	DEID	
Cc1nc(NC(=O)[C@@H]2COc3ccccc3O2)cc(C2CC2)n1	159966057	JIQCHWGAZHMCLK-HNNXBMFYSA-N	311.341	2.441	70	20	DEID	
CCNC(=O)CN(CC)C(=O)c1cc(Cl)c(N)c(Cl)c1	159703951	XCRLXQNTFUOBLI-UHFFFAOYSA-N	318.204	2.174	70	20	DEID	
Cc1ccc(NC(=O)[C@@H]2C[C@@]23CCOC3)cc1S(=O)(=O)F	857675281	ITIUJWXLYXSGPE-SMDDNHRTSA-N	313.350	2.018	70	20	DEID	
CS[C@@H]1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1338400808	RGMZSGOHYSDBQC-RKDXNWHRSA-N	320.411	2.077	70	20	DEID	
CSCC(C)(C)NC(=O)Cc1ccc(S(=O)(=O)F)cc1	1338370128	IBDDJLIVNKDBLI-UHFFFAOYSA-N	319.423	2.145	70	20	DEID	
C[C@@H]1CCCC[C@]1(C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1262788339	ZIHGXYLVJNVNRX-RNCFNFMXSA-N	302.371	2.372	70	20	DEID	
CC(C)CN1CCCC[C@H]1CNC(=O)NC[C@H](O)C(C)(C)C	161001999	XWESDTFZFCHCSJ-GJZGRUSLSA-N	313.486	2.203	70	20	DEID	
CCn1c(SCc2ccnn2C)nc2ccccc2c1=O	161231971	QZPQSZFNZRFWCY-UHFFFAOYSA-N	300.387	2.442	70	20	DEID	
CC1(O)CCN(C(=O)C2=Cc3cc(Cl)ccc3OC2)CC1	161243131	YQVWECGHFXCOGQ-UHFFFAOYSA-N	307.777	2.489	70	20	DEID	
O=C(NOCc1ccccc1)N[C@H]1[C@@H]2CCO[C@@H]2C12CCC2	161313398	APSJIXRWOOTRFI-KKUMJFAQSA-N	302.374	2.375	70	20	DEID	
CC(C)[C@@H](CNC(=O)[C@@H](C)c1cccs1)N1CCN(C)CC1	160054455	POSXZRSBNUCNIR-LSDHHAIUSA-N	323.506	2.240	70	20	DEID	
Cn1nnc2cc(C(=O)N[C@H]3CCOC4(CCCC4)C3)ccc21	160090915	QBBWXRDHFGSQGQ-ZDUSSCGKSA-N	314.389	2.190	70	20	DEID	
C[C@@H](CO)N(C)C(=O)CCc1ccc(Br)cc1	160391300	JSGWTHAFZPGBBE-JTQLQIEISA-N	300.196	2.221	70	20	DEID	
Cc1c(C(=O)N2[C@H]3CC[C@H]2CC(O)C3)cnn1CCC(C)C	160430981	HGVZOPYWZYSACN-KBPBESRZSA-N	305.422	2.366	70	20	DEID	
Cc1cc(Oc2ccc(NC(=O)C[C@H]3COC(=O)C3)cc2)n[nH]1	160489787	LDMPMSOAQZLNSZ-LLVKDONJSA-N	315.329	2.402	70	20	DEID	
Cn1cnc2cc(C(=O)N[C@@H]3CCc4c(O)cccc43)cnc21	160499106	UFDUHPBEOGXRCP-CYBMUJFWSA-N	308.341	2.091	70	20	DEID	
O=C1CN(Cc2cccc(OCc3ccc(F)cc3)c2)CCN1	160511688	RHRRFRYCBVGAHN-UHFFFAOYSA-N	314.360	2.337	70	20	DEID	
O=C(CCCCOc1ccc(Br)cc1)NCCO	159509264	MDKUJRKHXQSTSC-UHFFFAOYSA-N	316.195	2.107	70	20	DEID	
CS(=O)(=O)CCN(C(=O)Nc1c(F)cccc1F)C1CC1	159911195	LCZDSRXJGCEKJX-UHFFFAOYSA-N	318.345	2.006	70	20	DEID	
CCN1CCCN(C(=O)NC2CCN(C3CCCC3)CC2)CC1	159948308	IWZOUOYMBRRNFK-UHFFFAOYSA-N	322.497	2.131	70	20	DEID	
C[C@H](CNC(=O)[C@@H]1OCCc2ccccc21)CC1(C)OCCO1	160661577	PGNUJERKGPKQLE-XJKSGUPXSA-N	319.401	2.206	70	20	DEID	
CN(CCc1nccs1)S(=O)(=O)c1ccc(F)cc1F	159665629	XAUJSXLDWTXOCV-UHFFFAOYSA-N	318.370	2.285	70	20	DEID	
O=C(NCc1ccccc1Cl)c1cc(S(=O)(=O)F)c[nH]1	1336921142	NPMWGSRIGJXORK-UHFFFAOYSA-N	316.741	2.256	70	20	DEID	
Cc1ccc(C)c(-n2ncc(C(=O)N[C@H]3CCC[C@@H]3O)c2C)c1	161034834	XQEKPINPFQOHLQ-RDJZCZTQSA-N	313.401	2.441	70	20	DEID	
O=C([C@H]1CCn2ccnc2C1)N1CC[C@H](Nc2ccccc2)C1	161155843	ZQSFYTUFZUJBSJ-HOCLYGCPSA-N	310.401	2.159	70	20	DEID	
CCOCCN(CC)C(=O)Nc1ccc(C(C)(C)C(N)=O)cc1	160018376	MKSIZQZWYLZRLU-UHFFFAOYSA-N	321.421	2.340	70	20	DEID	
CC[C@H](NC(=O)Cn1c(C)c(C)sc1=O)c1c(C)noc1C	160130642	BGIDPIKRMZIVRY-LBPRGKRZSA-N	323.418	2.399	70	20	DEID	
COc1cccc(NC(=O)[C@@H]2C(=O)N(CC(C)C)N=C2C)c1	160150933	YFPJVYLTZNTWBJ-CQSZACIVSA-N	303.362	2.124	70	20	DEID	
O=C(NCCc1cccc(O)c1)c1cn2cccnc2n1	160193717	PCWCPWXFOBHUHL-NSHDSACASA-N	282.303	1.407	70	20	DEID	
COc1ccc(CCCN(C)C(=O)C[C@H]2COC(=O)C2)cc1	160285308	OFSMCXFDNQNFQK-CQSZACIVSA-N	305.374	2.039	70	20	DEID	
CCOCCCNC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1	160334530	VWEIWVFHTKTJEC-OAHLLOKOSA-N	308.378	2.402	70	20	DEID	
O=C(CCC(=O)N1CCc2sccc2C1)NC1CC=CC1	160817391	KEKABIOBHXKUEA-UHFFFAOYSA-N	304.415	2.248	70	20	DEID	
Cc1cc(C)c(CNC(=O)C(=O)Nc2nocc2C)c(C)c1	160840054	NNVZMTLSIYNHPL-UHFFFAOYSA-N	301.346	2.163	70	20	DEID	
CCCC(O)(CCC)CNC(=O)NC[C@@H]1CCCCN1CC	159623215	DMEDCEOFMJTZLJ-HNNXBMFYSA-N	313.486	2.491	70	20	DEID	
CC1(C(=O)NS(=O)(=O)c2ccc3c(c2)COC3)CCCCC1	159638885	MXMBJGKQNCPNRZ-UHFFFAOYSA-N	323.414	2.492	70	20	DEID	
CCc1ccc([C@H](CO)NC(=O)N[C@@H]2CCCSC2)cc1	159481117	YTRLPQGQJCFSPP-CABCVRRESA-N	308.447	2.477	70	20	DEID	
CSCC[C@H](N)C(=O)Nc1ccc(C(=O)NC(C)C)c(C)c1	159496298	NJJCAFOIVJJLFC-AWEZNQCLSA-N	323.462	2.152	70	20	DEID	
CS(=O)(=O)CCCC(=O)N[C@H]1CCCc2sccc21	159939930	YOEUALIDFBLPQM-NSHDSACASA-N	301.433	2.067	70	20	DEID	
CS[C@H](C)C(=O)Nc1ccc(F)c(CS(=O)(=O)F)c1	876318364	SCNFJOCCXXLKCU-SSDOTTSWSA-N	309.359	2.315	70	20	DEID	
NC(=O)NC1(C(=O)N2CCCCC[C@@H]2c2ccccc2)CC1	161105369	LNVHNCKAWOXFEY-CQSZACIVSA-N	301.390	2.331	70	20	DEID	
C[C@@H](CO)CNC(=O)N[C@@H](C[C@@H]1CCOC1)c1ccccc1	161314918	NLKJOTOGECUKKW-YCPHGPKFSA-N	306.406	2.082	70	20	DEID	
CCc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)[nH]n1	161443532	LDLYDUVMQODZNC-NSHDSACASA-N	322.409	2.054	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)c1ccc(N2CCC(C)=N2)cc1	160014308	VNUUTIUAPNAJKM-ZDUSSCGKSA-N	317.389	2.344	70	20	DEID	
CC(C)Oc1cc(CNC(=O)NC[C@@]2(C)CCCO2)ccn1	160061338	DXEWXBKKJOJWPN-MRXNPFEDSA-N	307.394	2.237	70	20	DEID	
CC(C)OC(=O)CCCNC(=O)N1CCO[C@H](c2ccco2)C1	160109750	DZVLGQMEIQLVHP-AWEZNQCLSA-N	324.377	2.094	70	20	DEID	
CCOC(=O)C1(C(=O)NC[C@@]2(N(C)C)CCC[C@@H](C)C2)CCC1	160417040	FIMOXUORSPEBPB-RHSMWYFYSA-N	324.465	2.347	70	20	DEID	
C[C@@H]1C[C@H](N[C@@H](CN2CCCC2=O)c2ccccc2)CCN1C	160659920	XPGAHWZLCJSHRI-NXHRZFHOSA-N	315.461	2.422	70	20	DEID	
CCOc1cccc([C@H](C)NC(=O)C(=O)Nc2nocc2C)c1	160829911	OKAVBWJGWQKEBB-NSHDSACASA-N	317.345	2.198	70	20	DEID	
Cc1ccc(C(=O)CCN(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)cc1	159672529	RBINZNIPESBYPF-UONOGXRCSA-N	311.447	2.321	70	20	DEID	
C[C@]1(c2cccnc2)NC(=O)N(Cc2ccc(Cl)cn2)C1=O	159543847	BWENNMMXQPKMCU-OAHLLOKOSA-N	316.748	2.097	70	20	DEID	
CS(=O)(=O)CCN(C(=O)Nc1ccc(Cl)cc1)C1CC1	159799341	STYIPUWFQVXJPF-UHFFFAOYSA-N	316.810	2.381	70	20	DEID	
CCN(CCCNCc1cc(F)cc(Cl)c1)S(C)(=O)=O	160906366	SVVVQIJQZLVSKZ-UHFFFAOYSA-N	322.833	2.240	70	20	DEID	
COCCC1(C(=O)NCCN2c3ccccc3C[C@H]2C)CC1	161059340	RWFOQTDCDRTDAH-CQSZACIVSA-N	302.418	2.371	70	20	DEID	
CCc1ncc(NC(=O)NCC(=O)OC2CCCCC2)cn1	161142175	KZCKLIFQHBJQRR-UHFFFAOYSA-N	306.366	2.036	70	20	DEID	
COc1ncncc1NC(=O)N(C)Cc1cccc(N(C)C)c1	161176835	SBTHSDNAWYVCDO-UHFFFAOYSA-N	315.377	2.215	70	20	DEID	
CSC[C@@H](C)NC(=O)Nc1ccc(-c2ncn(C)n2)cc1	161346016	QULUMRZKOBQSFO-SNVBAGLBSA-N	305.407	2.355	70	20	DEID	
CCn1nccc1CNCc1ccc(OC)c(OC)c1OC	160041825	UCRLRWXRLIFBOF-UHFFFAOYSA-N	305.378	2.219	70	20	DEID	
Cc1cc(C(=O)N(CCN(C)C)Cc2ccccn2)oc1C	160112923	VBGIMAYPJKSMJG-UHFFFAOYSA-N	301.390	2.495	70	20	DEID	
Cc1cc(C(=O)NC[C@@H](O)CN2CCCCC2)ccc1Cl	160160944	QIAJXQNIVUOJDL-CQSZACIVSA-N	310.825	2.225	70	20	DEID	
CCOC(=O)c1cnc(N[C@H]2CCO[C@H](C3CC3)C2)nc1C	160273366	MNHKYHVAQZUBLE-JSGCOSHPSA-N	305.378	2.331	70	20	DEID	
COc1ccc(OC)c([C@H](C)N[C@@H]2CCc3nc(C)nn3C2)c1	160326677	BWEPIEKYYFBSEE-WCQYABFASA-N	316.405	2.269	70	20	DEID	
CC(C)[C@H](CCO)NC(=O)c1ccc(OC[C@H]2CCCO2)cc1	160504373	OATCYEDVAUDBEY-SJORKVTESA-N	321.417	2.381	70	20	DEID	
Cc1ccc(C)c(-n2ncc(NC(=O)N(C)CCO)c2C)c1	160884926	ACTQCWIFWJZRJD-UHFFFAOYSA-N	302.378	2.254	70	20	DEID	
Cc1c(/C=C/C(=O)N[C@H](C)CN2C[C@@H](C)C[C@H](C)C2)cnn1C	160994049	USRMPPIOIIASQI-MNZAGANASA-N	318.465	2.224	70	20	DEID	
O=C(Nc1cccc(OC(F)F)c1)C1(O)CCSCC1	159663932	ZTMQLSCRYFCCEM-UHFFFAOYSA-N	303.330	2.485	70	20	DEID	
Cc1ccc(C(=O)CCN(C2CC2)[C@@H](C)CS(C)(=O)=O)cc1	159673706	VFVKFKWFCDAFBS-AWEZNQCLSA-N	323.458	2.465	70	20	DEID	
CC(C)CCn1ccc(NC(=O)NCCCn2ccnc2)n1	159506888	DBJDZQYDDDJWHJ-UHFFFAOYSA-N	304.398	2.338	70	20	DEID	
CCC[C@@H]1CN(C(=O)NCCOc2cccc(F)c2)CCO1	159711558	UXDWOAMEPLWMHB-OAHLLOKOSA-N	310.369	2.415	70	20	DEID	
CS[C@@H](CO)[C@H](C)NC(=O)Nc1ccn(CCC(C)C)n1	159715102	VMTLDIHCAPSKAL-RYUDHWBXSA-N	314.455	2.163	70	20	DEID	
CS[C@@H](CO)[C@@H](C)NC(=O)Nc1ccn(CCC(C)C)n1	159715224	VMTLDIHCAPSKAL-NEPJUHHUSA-N	314.455	2.163	70	20	DEID	
CC(C)NC(=O)c1ccc(NC(=O)N2CCC[C@@](C)(O)C2)cc1	159552464	GVKZNCWEARTJIF-QGZVFWFLSA-N	319.405	2.204	70	20	DEID	
O=C(C[C@@H]1COC(=O)C1)Nc1ccc(-c2csnn2)cc1	159555410	IIIKVKADRPCNII-VIFPVBQESA-N	303.343	2.097	70	20	DEID	
CC[C@H](Oc1ccccc1F)C(=O)N1C[C@@H]2CCC[C@H](C1)N2	159955668	OZOIFENSBHGBMS-GUTXKFCHSA-N	306.381	2.336	70	20	DEID	
Cc1ccc(NC(=O)[C@@H]2O[C@@H](C)C[C@@H]2C)cc1S(=O)(=O)F	857674009	OOFNUUFZIUABSU-OUJBWJOFSA-N	315.366	2.405	70	20	DEID	
COC[C@H](O)CCNC(=O)c1occc1-c1ccc(F)cc1	161023578	FEGTULNTDKNKRX-CYBMUJFWSA-N	307.321	2.213	70	20	DEID	
CS[C@@H](C)CC(=O)N1CCN(C(=O)c2cc(C)oc2C)CC1	161068681	ZIMAMKAIGLDUKD-LBPRGKRZSA-N	324.446	2.322	70	20	DEID	
CCCN(Cc1cnc2c(C)cccn12)[C@@H]1CCS(=O)(=O)C1	161100419	UUGLQRRYURAKAZ-CQSZACIVSA-N	321.446	2.042	70	20	DEID	
CC(C)N(CCN(C)C)C(=O)c1csc([C@@H]2CCCO2)n1	161185027	LITNZKIWCXXGBU-ZDUSSCGKSA-N	311.451	2.407	70	20	DEID	
CCCN(CCO)Cc1ccc(OC(=O)C2CC2)c(OC)c1	161212617	QOCJBBQJWBMJMQ-UHFFFAOYSA-N	307.390	2.215	70	20	DEID	
CC(C)(C)[C@H](CCO)NC(=O)NCC(C)(C)N1CCCCC1	161247046	MVUJFPPFAUAULP-AWEZNQCLSA-N	313.486	2.347	70	20	DEID	
Cc1cc(C)cc(C[C@H](C)NC(=O)CNC[C@H]2CCCO2)c1	161347497	YSZMMPQZPCBTDP-DOTOQJQBSA-N	304.434	2.119	70	20	DEID	
Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)C1(NC(N)=O)CC1	161433606	XPCVYFCNXWJNQV-SNVBAGLBSA-N	324.450	2.295	70	20	DEID	
COc1cccc2c1CC[C@H]2NC(=O)CCCCCNC(C)=O	160024294	VHVSXBAEKLVSHX-MRXNPFEDSA-N	318.417	2.495	70	20	DEID	
NC[C@H]1CCCN1C(=O)CCc1ccccc1Br	160338155	ZQELRLRCZPPCFZ-GFCCVEGCSA-N	311.223	2.331	70	20	DEID	
CO[C@H](C)C(=O)Nc1cccc(NC(=O)c2cc(C)ncn2)c1	160357191	WEGMQTBLSDPJEL-LLVKDONJSA-N	314.345	2.011	70	20	DEID	
CN(C)CCN(C(=O)N[C@@H]1CCO[C@H](C2CC2)C1)C1CCCC1	160442224	ABUXOTDJQOCOBV-WBVHZDCISA-N	323.481	2.460	70	20	DEID	
C[C@@H]1Oc2ccc(NC(=O)[C@H](C)C3CCOCC3)cc2NC1=O	160540236	YEWYTUQTSUQPNL-MNOVXSKESA-N	318.373	2.407	70	20	DEID	
Cc1c(/C=C/C(=O)N2CCCN(c3ccccc3)CC2)cnn1C	160574459	HUNPHWPVLSVIBB-MDZDMXLPSA-N	324.428	2.481	70	20	DEID	
Cc1oc2nc[nH]c(=O)c2c1C(=O)NCCCSCC(C)C	160756538	XMMLTBUYABCYLB-UHFFFAOYSA-N	323.418	2.334	70	20	DEID	
CCCC(O)(CCC)CC(=O)N1CCC[C@@H](CNC(C)=O)C1	160850541	PDIQFRXUJVZSTI-HNNXBMFYSA-N	312.454	2.083	70	20	DEID	
COC(=O)CCCC(=O)NC[C@](C)(O)c1ccccc1Cl	159366186	JMOUBTRDJFAPOM-HNNXBMFYSA-N	313.781	2.007	70	20	DEID	
CCc1nc(CN2CCN(c3ccc(F)cc3Cl)CC2)n[nH]1	159558893	GZPCAXNMDIJXCM-UHFFFAOYSA-N	323.803	2.482	70	20	DEID	
CO[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccccc1SC	159993704	GEKLRKBXJQWIIY-ZYHUDNBSSA-N	308.403	2.031	70	20	DEID	
N[C@H]1CCC[C@@H](NC(=O)c2cc(Br)ccc2O)C1	161197059	IRTXDGWDRVIVPY-VHSXEESVSA-N	313.195	2.154	70	20	DEID	
CC(C)N1C[C@H](NC(=O)N2c3ccccc3C[C@@H]2C)CC1=O	217288906	IMDVTOKFWRHKLZ-GXTWGEPZSA-N	301.390	2.157	70	20	DEID	
COC[C@H](O)CCNC(=O)[C@H](C)Oc1cccc(C(C)(C)C)c1	161048745	BREDQYSAQQSHFE-DZGCQCFKSA-N	323.433	2.265	70	20	DEID	
Cc1nn(C)c(C)c1CN(C)CC(=O)Nc1cc(F)cc(F)c1	161056575	AQGURFUYNMBEEB-UHFFFAOYSA-N	322.359	2.386	70	20	DEID	
Cc1ccc(Cl)cc1NCC(=O)NCC(=O)NC(C)(C)C	161085498	OCMKDYHUDGHZMJ-UHFFFAOYSA-N	311.813	2.091	70	20	DEID	
Cn1nccc1CSc1nnnn1-c1ccc(Cl)cc1	161216473	CDUZTNUZQLZMFQ-UHFFFAOYSA-N	306.782	2.342	70	20	DEID	
C[C@H](Cc1cccc(Cl)c1)C(=O)NCC(=O)N1CCCC1	161305627	ADOFHMWGGJJMKE-GFCCVEGCSA-N	308.809	2.257	70	20	DEID	
CC(=O)NC1CCC(N[C@H](C)CN2C[C@@H](C)C[C@@H](C)C2)CC1	161357071	QAJAUBVKNMDGJE-XYUDRNGQSA-N	309.498	2.390	70	20	DEID	
O=C(CC1CCCC1)NCC(=O)N1CCC[C@@H]1c1ccc[nH]1	160070591	VHYXPJGAIUVTHI-OAHLLOKOSA-N	303.406	2.375	70	20	DEID	
CC[C@](C)(O)CNS(=O)(=O)c1ccc(OC)c2ccccc12	160302094	WNGLVNKDROGYBV-INIZCTEOSA-N	323.414	2.288	70	20	DEID	
CCC(N)(CC)CNC(=O)c1sc(-c2ncccn2)nc1C	160553277	OQXVUOYMEUGYTD-UHFFFAOYSA-N	319.434	2.156	70	20	DEID	
CCO[C@H]1C[C@@H](N(C)C(=O)NCCN(CC)CC)C12CCC2	160636418	SZZCGOCEKNZIGS-CABCVRRESA-N	311.470	2.317	70	20	DEID	
O=C(N[C@@H]1CCN(C2CCCC2)C1)N(C[C@@H]1CCOC1)C1CC1	160821315	GXKOJQOFIVLQPD-LSDHHAIUSA-N	321.465	2.214	70	20	DEID	
CSCCCCC(=O)NCc1ccnc(-n2cccn2)c1	159623343	VLSDTTQUJTZNEW-UHFFFAOYSA-N	304.419	2.417	70	20	DEID	
Cc1cc(NC(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)c[nH]c1=O	159827483	VCLMAERJKKIMFL-UHFFFAOYSA-N	321.336	2.495	70	20	DEID	
Cc1nc(COC(=O)c2cc(N(C)C)nc3ccccc23)no1	159635936	JPDDKSWDNJYYNH-UHFFFAOYSA-N	312.329	2.349	70	20	DEID	
CCCCN(C)CCNC(=O)NC[C@H](C)c1c(C)noc1C	159836928	GUEULERFOHTUDB-LBPRGKRZSA-N	310.442	2.426	70	20	DEID	
CN(CC(F)F)C(=O)NCCc1nnc(-c2ccccc2)o1	159867767	IMAXATFRZMSRAW-UHFFFAOYSA-N	310.304	2.186	70	20	DEID	
C[C@H]1CC(=O)CC[C@@H]1C(=O)Nc1cccc(-c2nncn2C)c1	159874962	QZUADLMXHPWZGF-NHYWBVRUSA-N	312.373	2.426	70	20	DEID	
Cc1noc(CNC(=O)Nc2cccc(-c3nccn3C)c2)n1	159569632	VXFHJMBEADTXHT-UHFFFAOYSA-N	312.333	2.100	70	20	DEID	
O=C(Nc1cc(F)ccc1OC[C@H]1CCCO1)[C@H]1CCCNC1	159381573	FNKVBWCCVAMMLX-GXTWGEPZSA-N	322.380	2.322	70	20	DEID	
O=C(NCCCN1CCOCC1)Nc1c(F)cccc1Cl	217313140	JXZDVLDJECHQTL-UHFFFAOYSA-N	315.776	2.323	70	20	DEID	
CCO[C@@H](CC)C(=O)Nc1ccc(C)c(S(=O)(=O)F)c1	857675564	RZIPGWNUBWQDKX-NSHDSACASA-N	303.355	2.407	70	20	DEID	
O=C(Nc1cccc(S(=O)(=O)F)c1)c1cccc2nccn12	769658991	CXZRDBUIXIPBJA-UHFFFAOYSA-N	319.317	2.245	70	20	DEID	
N#CC1CCC(CNC(=O)c2cccc(S(=O)(=O)F)c2)CC1	1121184511	DOXPOKRVXWIQRH-UHFFFAOYSA-N	324.377	2.405	70	20	DEID	
O=S(=O)(F)c1ccc(NC[C@@H]2CC3(CCC3)CO2)nc1	1550642404	JJPUSKBJVXQRCI-JTQLQIEISA-N	300.355	2.111	70	20	DEID	
CNC(=O)COc1cccc(CC(=O)N[C@@H]2CCC[C@@H](C)C2)c1	161052907	XNCHJPDNSYTECY-UKRRQHHQSA-N	318.417	2.049	70	20	DEID	
COC[C@H](C)NC(=O)C(=O)Nc1ccccc1SC(C)C	161067432	PDWOCNMCMUBHMU-NSHDSACASA-N	310.419	2.277	70	20	DEID	
Cc1c(C(=O)N2CCC(C(C)C)CC2)nnn1C1CCNCC1	161267361	LJJOAIQCACRQPP-UHFFFAOYSA-N	319.453	2.019	70	20	DEID	
C[C@@H](CC(=O)Nc1cccnc1Cl)NC1CCN(C)CC1	161414105	SIOPBOOXPLQSDK-NSHDSACASA-N	310.829	2.136	70	20	DEID	
CCc1c(C(=O)NC2CCN(CC)CC2)cnn1CC(C)C	160339508	OWBIXJGSQGSEFA-UHFFFAOYSA-N	306.454	2.316	70	20	DEID	
CCCO[C@H]1CCCN(C(=O)N[C@H]2CCN(CC3CC3)C2)CC1	160731223	IXRWHUNSYWORGQ-IRXDYDNUSA-N	323.481	2.461	70	20	DEID	
NC(=O)[C@@H]1CCCCN1C(=O)Cc1ccc(C(F)(F)F)cc1	159636401	CMIFQHMMUJKNMN-LBPRGKRZSA-N	314.307	2.114	70	20	DEID	
C[C@@H](CC(=O)Nc1cnn(CC(F)(F)F)c1)[C@H]1CCCNC1	159697780	DFRJFTKQMFHPHK-QWRGUYRKSA-N	318.343	2.410	70	20	DEID	
CCCCS(=O)(=O)N1CCO[C@]2(CCc3ccccc32)C1	159734008	VBZAVBIVMSEVIY-MRXNPFEDSA-N	309.431	2.290	70	20	DEID	
CC(=O)N1CC[C@H](NC(=O)[C@H](C)CSc2ccccc2)C1	159741508	VSPKHYBTKLHIHG-OCCSQVGLSA-N	306.431	2.152	70	20	DEID	
Cc1nc2ccc(NC(=O)C(=O)N3CCC4(CCC4)C3)cc2o1	159382194	PNLQGEOIQRQNJL-UHFFFAOYSA-N	313.357	2.477	70	20	DEID	
O=C(Nc1ccc(COC2CCCC2)cc1)[C@@H]1COCCN1	159599957	KJPUTLSDMHSOIL-INIZCTEOSA-N	304.390	2.073	70	20	DEID	
NC1(CC(=O)N2CC[C@@H](COCc3ccccc3)C2)CCC1	161328783	CPTIETRMOCEUNW-MRXNPFEDSA-N	302.418	2.323	70	20	DEID	
O=C(COC1CCCC1)Nc1ccc(S(=O)(=O)F)c(F)c1	857673984	AMJHVEYSCBKXMD-UHFFFAOYSA-N	319.329	2.382	70	20	DEID	
O=C(Nc1cccc(S(=O)(=O)F)c1)c1ncc2n1CCCC2	875564100	VOIAUANVFJBXLD-UHFFFAOYSA-N	323.349	2.130	70	20	DEID	
C[C@@H]1O[C@H](C)[C@@H](C(=O)Nc2cccc(S(=O)(=O)F)c2)[C@H]1C	875562577	QYKIWBQLHAEFSO-XHSYRHOGSA-N	315.366	2.343	70	20	DEID	
O=C(CCc1ccc(S(=O)(=O)F)cc1)NC/C=C/C1CC1	1338183254	CAYZDTSZHPCTMS-OWOJBTEDSA-N	311.378	2.360	70	20	DEID	
COc1cccc([C@@H]2CCCN2C(=O)C[C@H]2COC(=O)C2)c1	161102636	CITIPBWSNWVMFJ-DOMZBBRYSA-N	303.358	2.312	70	20	DEID	
CNC(=O)c1ccc(Cl)c(NC(=O)N[C@]2(C)CCOC2)c1	161163396	DXUAGFNQTXBLMN-CQSZACIVSA-N	311.769	2.000	70	20	DEID	
Cc1nn(C)c2ncc(NC(=O)N(C)CC3(O)CCCC3)cc12	160093693	YEJAWTDJDIVUPB-UHFFFAOYSA-N	317.393	2.046	70	20	DEID	
CC(C)C[C@@H]1CCCN(C(=O)NC[C@@H]2CCCS2(=O)=O)C1	160115742	WOEZLVLNXHJVBM-KBPBESRZSA-N	316.467	2.031	70	20	DEID	
CC(C)CSCCCNC(=O)c1ccc(C(N)=O)s1	160688528	XEDJRZVAJMWISZ-UHFFFAOYSA-N	300.449	2.356	70	20	DEID	
C[C@@H](N[C@H](CN1CCCC1=O)c1ccccc1)c1cnccn1	160710786	UKPFJCZCIBTSIV-RHSMWYFYSA-N	310.401	2.491	70	20	DEID	
C[C@@H](CC(=O)Nc1ccc(C(N)=O)cc1F)c1ccncc1	160931205	BMBKNUJFFYGBEH-JTQLQIEISA-N	301.321	2.452	70	20	DEID	
C[C@@H](CC(=O)N(CCN(C)C)C[C@@H]1CCCO1)c1ccncc1	159617204	SEUMOIYMFONMNT-RDJZCZTQSA-N	319.449	2.144	70	20	DEID	
Cc1ccc(C[C@@H](C)NS(=O)(=O)C[C@H]2CCCCO2)s1	159644992	UNIZEDJDXDCKEB-DGCLKSJQSA-N	317.476	2.476	70	20	DEID	
CCOC(=O)CN(C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(CC)cc1	159486474	NXSRRKXNGPDNAE-KBPBESRZSA-N	320.433	2.310	70	20	DEID	
COC(=O)C(C)(C)CNC(=O)N1CCc2cccc(F)c2C1	159921078	ACJOCQRACBPPRF-UHFFFAOYSA-N	308.353	2.093	70	20	DEID	
C[C@H]1CCCN(C[C@@H](C)NC(=O)NCc2ncccc2F)C1	159750127	PBUNDIJRCXYDCE-QWHCGFSZSA-N	308.401	2.140	70	20	DEID	
CCC(C)(C)NC(=O)c1ccc(CNS(=O)(=O)CC)cc1	159754234	DBTSGEZOHSSQFG-UHFFFAOYSA-N	312.435	2.044	70	20	DEID	
COCCCOC1CCN(C(=O)c2ccc(C)c(N)c2)CC1	159791454	ZRYRRGLQCYMPCC-UHFFFAOYSA-N	306.406	2.235	70	20	DEID	
Cc1cc(N)cc(NC(=O)c2cccc(S(=O)(=O)F)c2)c1	1579622693	SUXQBHBVALMKLF-UHFFFAOYSA-N	308.334	2.488	70	20	DEID	
CN(C)[C@H](CNC(=O)N[C@@H](CCO)C(C)(C)C)c1ccccc1	161183262	UDWMSDVLHLQTHB-CVEARBPZSA-N	321.465	2.386	70	20	DEID	
COC(=O)c1coc(CN2CCC([C@H](O)C(F)(F)F)CC2)c1	161274949	UQYPJGUGFYFNQH-LBPRGKRZSA-N	321.295	2.201	70	20	DEID	
CC(C)[C@@H](SCCN1CCOCC1)C(=O)NC1CCCC1	160059661	KQTBJAGLHJIXFC-OAHLLOKOSA-N	314.495	2.135	70	20	DEID	
COc1ccc(C2(CNC(=O)[C@H](C)N)CCCCC2)cc1OC	160139883	RJRMOFGYTCMPPV-ZDUSSCGKSA-N	320.433	2.369	70	20	DEID	
C[C@]1(NC(=O)Nc2cc3c(cc2Cl)OCCO3)CCOC1	160166990	HSMWFOIIKABCFO-AWEZNQCLSA-N	312.753	2.412	70	20	DEID	
C[C@@H](CC(=O)NCC(=O)Nc1cccc(F)c1)c1ccncc1	160284103	SYKYIKBYRXTEMB-LBPRGKRZSA-N	315.348	2.469	70	20	DEID	
CC[C@H](COC)NCc1ccccc1CN1CCN(CC)CC1	160362254	ISIGEUCFPUKIKO-LJQANCHMSA-N	319.493	2.339	70	20	DEID	
CC(C)(C)c1nccc(N2CCC[C@H]2CN2CCOCC2)n1	160401365	WAHKJVSMPAEQNC-AWEZNQCLSA-N	304.438	2.075	70	20	DEID	
CSC[C@@H](CCO)N[C@@H](C)c1ccc(-n2cncn2)cc1	160408888	NGRNAZIDIXHDJV-GXTWGEPZSA-N	306.435	2.032	70	20	DEID	
C[C@H](CC(=O)c1cccs1)NC(=O)COC[C@@H]1CCCO1	160948346	YBYMCGLDZFXRAI-NEPJUHHUSA-N	311.403	2.021	70	20	DEID	
C[C@@H](CO)CNC(=O)c1cc(OCc2ccccc2)ccc1O	159616045	SDVCVLTUHWTQLQ-CYBMUJFWSA-N	315.369	2.329	70	20	DEID	
CCOCc1ccc(CNC(=O)N2CCCN(CC)CC2)cc1	159617613	VZVLPXRUTGMZEZ-UHFFFAOYSA-N	319.449	2.460	70	20	DEID	
CC(C)Oc1ncccc1NC(=O)N(C)CCNC(=O)C(C)C	159507711	AETFACWLYHPDQC-UHFFFAOYSA-N	322.409	2.105	70	20	DEID	
CSC[C@@H](C)NC(=O)Nc1ccc(C(C)(C)C(N)=O)cc1	159910223	JNPUJMFXSGQZMV-SNVBAGLBSA-N	309.435	2.323	70	20	DEID	
CCNC(=O)CNC(=O)Nc1cccc(N2CCC(C)CC2)c1	159765227	BNWYVPHINQWIHF-UHFFFAOYSA-N	318.421	2.181	70	20	DEID	
CC[C@H](C)CS(=O)(=O)NCCCOc1cccc(OC)c1	159579402	NFVCBLPLRWCERW-ZDUSSCGKSA-N	315.435	2.430	70	20	DEID	
Cc1ccc(S(=O)(=O)N(C)[C@@H](CN)C2CC2)c(Cl)c1	159974226	BRNCQQVTZTYEMD-LBPRGKRZSA-N	302.827	2.006	70	20	DEID	
O=C(C[C@H]1CCCOC1)Nc1cccc(S(=O)(=O)F)c1	796953836	NDEKVRMFGOSYMH-SNVBAGLBSA-N	301.339	2.100	70	20	DEID	
CC(C)CN1CCCC[C@@H]1CNC(=O)N(C)CCN1CCCC1	161001359	LAUCBUJKKUOCGW-QGZVFWFLSA-N	324.513	2.234	70	20	DEID	
CN(CCCc1cc(-c2ccccc2)n[nH]1)CC(=O)NC1CC1	161237314	PLBVADBRQGOYGU-UHFFFAOYSA-N	312.417	2.220	70	20	DEID	
Cc1cc(C)c2ncc(C(=O)NC3=NCCS3)c(O)c2c1	161267113	HAEIQDJTXIBDOQ-UHFFFAOYSA-N	301.371	2.390	70	20	DEID	
CCC[C@@H](C(=O)Nc1ccc2c(c1)CCN2C(C)=O)N(C)C	161269764	WNBWJWIOZQKZGT-INIZCTEOSA-N	303.406	2.264	70	20	DEID	
CCCS(=O)(=O)CC(=O)N[C@@H]1CCCc2sccc21	160053629	XMBFXSMSFHNNIX-LLVKDONJSA-N	301.433	2.067	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)C[C@H]1OCCc2ccccc21	160167277	SCLZBNOKGUOHOF-SWLSCSKDSA-N	305.374	2.148	70	20	DEID	
CCc1nn(C)c(Cl)c1C(=O)N[C@@H](C)CN1CCCCC1	160265322	YXKXBFUUKRBQSY-NSHDSACASA-N	312.845	2.240	70	20	DEID	
Cc1ccccc1[C@@H]1CN(C(=O)CNCC2CC2)[C@@H](C)CO1	160411086	RNVHMGOWSRKENT-YOEHRIQHSA-N	302.418	2.283	70	20	DEID	
CCOC(=O)C1(C(=O)NC[C@@]2(N(C)C)CCC[C@H](C)C2)CCC1	160416822	FIMOXUORSPEBPB-WMLDXEAASA-N	324.465	2.347	70	20	DEID	
CCC(N)(CC)CNC(=O)CCc1ccc2c(c1)OCCO2	160490107	QHEPQHKOLJMEPA-UHFFFAOYSA-N	306.406	2.024	70	20	DEID	
Cc1cccc(OC[C@@H](C)NC(=O)N2CCC[C@](C)(O)C2)c1	160833566	UVQFXISKTULDKH-PBHICJAKSA-N	306.406	2.319	70	20	DEID	
CCC(C)(CC)C(=O)NCc1ccnc(OCCN(C)C)c1	159400469	AYUYASLMGLCCKI-UHFFFAOYSA-N	307.438	2.465	70	20	DEID	
C[C@@H](CNC(=O)[C@H]1CCn2ccnc2C1)N1CCc2ccccc21	159664750	ADVBXLCMFGWUFV-HOCLYGCPSA-N	324.428	2.013	70	20	DEID	
CC(=O)Nc1cccc([C@H](C)NCCCN2CCCC2=O)c1	159477415	AEYUAOURQJHDFH-ZDUSSCGKSA-N	303.406	2.308	70	20	DEID	
COc1ccc(O)c(C(=O)N[C@H](CCO)c2ccccc2)c1	159538568	UAZHEMOJJJHWFR-OAHLLOKOSA-N	301.342	2.254	70	20	DEID	
CN(CCOCc1ccccc1)C(=O)CCc1cnn(C)c1	159366745	WEGUWWOIEAQMLT-UHFFFAOYSA-N	301.390	2.028	70	20	DEID	
COc1ccc(-n2cc(O)c(C(=O)N3CCCCC3)n2)cc1	159995677	UWXDAKJFAQQQPO-UHFFFAOYSA-N	301.346	2.213	70	20	DEID	
CC(C)N1C[C@@H](NC(=O)NCc2ccc(Cl)cc2)CC1=O	217288040	MWTFPXSGHOWZKQ-ZDUSSCGKSA-N	309.797	2.149	70	20	DEID	
Cc1ccc(Cl)cc1S(=O)(=O)N1CCc2ncncc2C1	218074049	GCHAQRLIBAMYTL-UHFFFAOYSA-N	323.805	2.185	70	20	DEID	
Cc1ccc(NC(=O)[C@@H]2CO[C@H](C)C2)cc1S(=O)(=O)F	857675106	BCSCOTAMIBBBKL-ZJUUUORDSA-N	301.339	2.017	70	20	DEID	
CO[C@@H]1CC[C@@H](OC(=O)c2ccc(S(=O)(=O)F)cc2)C1	890422038	PRGTXSYXXYOVQS-GHMZBOCLSA-N	302.323	2.069	70	20	DEID	
Cc1c([C@@H](C)NC2CCN(C)CC2)nnn1-c1ccc(F)cc1	161485839	YGPLGUNDBHAFRF-GFCCVEGCSA-N	317.412	2.460	70	20	DEID	
CCNC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2sccc2C)CC1	160095423	ACBWQKAZJUCTDF-CHWSQXEVSA-N	321.446	2.034	70	20	DEID	
Cc1ccc(N2CC[C@@H](N3CC[C@H](N4CCCC4)C3)C2=O)cc1	160338520	AWEYKVWTBNUMDG-ZWKOTPCHSA-N	313.445	2.270	70	20	DEID	
CN(Cc1ccccn1)C(=O)CCNC(=O)C1CCCCC1	160629798	ADXTVZCJUQZWOE-UHFFFAOYSA-N	303.406	2.127	70	20	DEID	
COC(=O)c1csc(NC(=O)N[C@H](CCO)C(C)(C)C)c1	160727237	BYPPEGYZFJTHAF-SNVBAGLBSA-N	314.407	2.453	70	20	DEID	
CN(C)Cc1cccc(NC(=O)C(=O)N2CCC3(CCC3)C2)c1	159415075	UZIDMKRVCNSTRQ-UHFFFAOYSA-N	315.417	2.089	70	20	DEID	
CCC[C@@](C)(O)C(=O)NCc1ccc(O)c(Br)c1	159761143	LATHOZQRVMTNLR-CYBMUJFWSA-N	316.195	2.322	70	20	DEID	
CCC[C@@H](N)C(=O)Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1	161040228	DJLJGTKIALVKSU-OWCLPIDISA-N	306.406	2.435	70	20	DEID	
O=C(Cc1cccc(OC(F)(F)F)c1)N1CCC[C@H](O)C1	161173652	BJVPXQLSGUVLTI-NSHDSACASA-N	303.280	2.111	70	20	DEID	
CCN(CCNC(=O)c1ccnn1C(C)C)C(=O)OC(C)(C)C	161177935	JQAVYMKEWXVACR-UHFFFAOYSA-N	324.425	2.451	70	20	DEID	
C[C@@]1(O)CCCN(C(=O)NCc2cccc(OC(F)F)c2)C1	161343756	QOYKWQVYQBNLHL-OAHLLOKOSA-N	314.332	2.344	70	20	DEID	
Cc1cc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)ncn1	161362133	UBCXKGHCHFFNDI-UHFFFAOYSA-N	321.344	2.026	70	20	DEID	
CCOc1ccccc1OCCCC(=O)N1CCC[C@H]1CNC	161370852	JDIPYSDBCGFCKW-HNNXBMFYSA-N	320.433	2.455	70	20	DEID	
Cc1noc(C)c1CN1CCC[C@H](c2nnc3n2CCC3)C1	161405272	FJWQXDZTUJWAPV-ZDUSSCGKSA-N	301.394	2.209	70	20	DEID	
Cc1cccc([C@@H](C)NC2CCN(CC(=O)N(C)C)CC2)c1	160440627	DEIZDKMERXQSJR-OAHLLOKOSA-N	303.450	2.198	70	20	DEID	
O[C@@H]1CCCC[C@H]1CNC1CCN(Cc2ccncc2)CC1	160484296	LRMDNIAPSWKXNG-FUHWJXTLSA-N	303.450	2.187	70	20	DEID	
CCC(CC)CNC(=O)NC[C@@H](O)COc1ccc(F)cc1	160537847	RZDQKHRTETUWFU-CQSZACIVSA-N	312.385	2.301	70	20	DEID	
CC[C@@H](C(=O)NCCOc1ncc(Cl)cc1Cl)N(C)C	160744455	YEDASTOAXYKWSF-NSHDSACASA-N	320.220	2.224	70	20	DEID	
CCn1c(SCc2nnc(C)n2C)nc2ccccc2c1=O	160965783	IMCZIWRARMFCSQ-UHFFFAOYSA-N	315.402	2.146	70	20	DEID	
O=C(Cc1cc(F)ccc1Br)N[C@@H]1CCC[C@H]1O	159450374	LJFKQNWHVPVENJ-VXGBXAGGSA-N	316.170	2.160	70	20	DEID	
C[C@H](CCO)NC(=O)NCC(C)(C)N[C@H](C)c1ccccc1	159873825	PJNBMRLRRHKLCH-ZIAGYGMSSA-N	307.438	2.186	70	20	DEID	
O=C(Cn1cc(C2CC2)nn1)NCCCOC1CCCCC1	159503245	SRIPCNJBQZQAMV-UHFFFAOYSA-N	306.410	2.011	70	20	DEID	
CCc1nnc(NC(=O)N(C)[C@@H]2CCCc3c2cnn3C)s1	159772068	RVQABMQJKZVFMP-SNVBAGLBSA-N	320.422	2.375	70	20	DEID	
Cc1csc(N(C)C(=O)c2ccc(S(=O)(=O)F)cc2)n1	864239628	NACOCXSDZFYTLC-UHFFFAOYSA-N	314.363	2.386	70	20	DEID	
O=C(Nc1ccc2c(n1)CCC2)c1ccc(S(=O)(=O)F)cc1	864244147	MKEFOYUVBZDLKE-UHFFFAOYSA-N	320.345	2.481	70	20	DEID	
CC1(C)C[C@H](NC(=O)c2cccc(S(=O)(=O)F)c2)CCO1	1121094756	KQGBCTWVUNMAIM-LLVKDONJSA-N	315.366	2.032	70	20	DEID	
CCN(CCC(F)(F)F)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1337012279	JPRLDFZDUGPJRB-UHFFFAOYSA-N	316.276	2.087	70	20	DEID	
CCN(CC)CCOc1ccc(C(=O)N[C@H]2CCC[C@@H]2O)cc1	161099190	MXHPVXOWNIBRMO-IRXDYDNUSA-N	320.433	2.050	70	20	DEID	
O=C(NCc1ccc(N2CCCC2)nc1)c1cccc(F)n1	161370304	HMOMHNMQGRARGW-UHFFFAOYSA-N	300.337	2.146	70	20	DEID	
Cc1cc(N[C@@H]2CCCN(CC(F)(F)F)C2=O)nc(C)n1	161510724	OMSUWZOHUSYNKU-SNVBAGLBSA-N	302.300	2.059	70	20	DEID	
CN(CCc1nccs1)S(=O)(=O)c1cc(F)cc(F)c1	159620000	QEUUIEUBTHYQQG-UHFFFAOYSA-N	318.370	2.285	70	20	DEID	
CCCOc1cccc(NC(=O)N2C[C@H](CO)OC[C@@H]2C)c1	159420986	MGWPKJKRRUVUIF-SWLSCSKDSA-N	308.378	2.089	70	20	DEID	
CCS(=O)(=O)CCN(C)C(=O)[C@H](c1ccccc1)C1CC1	159450503	MGRIKLVMLCYFRT-OAHLLOKOSA-N	309.431	2.073	70	20	DEID	
Cc1cnn(-c2ccc(NC(=O)[C@H]3CCCCN3)cc2F)c1	159774854	UWUKXAXWUUEHDI-CQSZACIVSA-N	302.353	2.400	70	20	DEID	
Cc1cc(NC(=O)c2csc([C@H]3CCCO3)n2)c[nH]c1=O	159397978	XWHMOSXQBNKPGH-LLVKDONJSA-N	305.359	2.244	70	20	DEID	
CC[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@H]1CC1(C)C	1338818142	RXKLFGUONHQEPD-NXEZZACHSA-N	302.371	2.227	70	20	DEID	
COc1ccc(Cl)cc1NC(=O)CN1CCC(C)(O)CC1	161203007	NJKPSMPSCUFVRX-UHFFFAOYSA-N	312.797	2.134	70	20	DEID	
COC[C@H](O)CCNC(=O)[C@H](C)Oc1cccc(C(C)C)c1	161338455	SYDHVLWSRFRFDY-DZGCQCFKSA-N	309.406	2.091	70	20	DEID	
CCCN(CC)c1ccc(C(=O)N[C@@H]2CCC[C@H](N)C2)cn1	161426135	NHKHRRBJMPAPBP-LSDHHAIUSA-N	304.438	2.318	70	20	DEID	
Cn1nc(C(C)(C)C)cc1C(=O)NCCc1cccc(O)c1	160190119	NWMZDVGXOKCSKP-UHFFFAOYSA-N	301.390	2.396	70	20	DEID	
CSC[C@@H](CCO)NC1CCN(CCc2ccccc2)CC1	160219154	ZGMFDVPQFXOKGG-GOSISDBHSA-N	322.518	2.397	70	20	DEID	
CCCCNc1ccccc1C(=O)N[C@@H](C)[C@@H]1CN(C)CCO1	160628106	XIILJNFGIJPZFZ-YOEHRIQHSA-N	319.449	2.348	70	20	DEID	
CCO[C@@H]1C[C@H](N(C)C(=O)NCCN(CC)CC)C12CCC2	160636837	SZZCGOCEKNZIGS-LSDHHAIUSA-N	311.470	2.317	70	20	DEID	
CCOCCCC(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	857674032	BDWYQYHDWQBCDL-UHFFFAOYSA-N	307.318	2.239	70	20	DEID	
O=C(Nc1cc2cc[nH]c2cn1)c1cccc(S(=O)(=O)F)c1	1121094557	FXUCOWDFJUQMPZ-UHFFFAOYSA-N	319.317	2.473	70	20	DEID	
C[C@H]1CCC[C@@H](N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1337667622	VVPCDPGXTWOHMC-VHSXEESVSA-N	302.371	2.324	70	20	DEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC[C@H]1c1ccccn1	1348384091	DJTCVFFYJCCIDM-ZDUSSCGKSA-N	323.349	2.045	70	20	DEID	
CC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)cc1C	1348708070	VVJKDOUTWRKMLL-UHFFFAOYSA-N	324.333	2.436	70	20	DEID	
CNC(=O)COc1ccc(NC(=O)N2CC[C@H](C)[C@@H](C)C2)cc1	161444370	YCVBCMRJOPZCND-STQMWFEESA-N	319.405	2.321	70	20	DEID	
CCO[C@@H](C)c1nccn1CC1(CS(C)(=O)=O)CCC1	161445467	PEKTYDYQMWAEMF-LBPRGKRZSA-N	300.424	2.196	70	20	DEID	
Cc1ccc(CCC(=O)NCC(=O)Nc2ccnc(C)c2)cc1	160065736	ITQLHESPFOUZLC-UHFFFAOYSA-N	311.385	2.386	70	20	DEID	
O=C(N[C@@H]1CCO[C@H](C2CC2)C1)N(CCO)Cc1ccccc1	160264026	LMEBWKVTUPDWHW-SJORKVTESA-N	318.417	2.148	70	20	DEID	
O=C(CN[C@H]1CSCCc2ccccc21)NCC(F)(F)F	160604523	JZTDMFPKOUFPMV-LBPRGKRZSA-N	318.364	2.285	70	20	DEID	
CCC[C@@H](CCO)CNC(=O)Nc1cc(C(=O)OC)cs1	160783656	CDHBENZSNRBVNZ-JTQLQIEISA-N	314.407	2.455	70	20	DEID	
Cc1cc(Cl)ccc1C(=O)N1CC[C@@H](CN2CCOCC2)C1	160950374	OHQOUECRBAKWLB-AWEZNQCLSA-N	322.836	2.443	70	20	DEID	
O=C(/C=C/c1ccc2c(c1)OCO2)NC[C@H](O)c1ccsc1	159604665	UHMKRKSSXYSPIO-OHVSUOQFSA-N	317.366	2.340	70	20	DEID	
N[C@H](CNC(=O)Nc1ccc(OC(F)(F)F)cc1)C1CC1	159811612	ADZLBQUNTWQAJY-LLVKDONJSA-N	303.284	2.444	70	20	DEID	
CNC(=O)c1cccc(C(=O)N(C)c2ccc(OC)c(F)c2)c1	159660304	IRLLYJHDWWWWGB-UHFFFAOYSA-N	316.332	2.471	70	20	DEID	
CN(Cc1nc2ccc(Cl)cc2c(=O)[nH]1)C[C@@H]1CCC[C@@H]1O	159863752	IKESXXXDLTVTDG-HZMBPMFUSA-N	321.808	2.169	70	20	DEID	
Cc1cc(N[C@@H](C)C(=O)N(C)Cc2cccc(F)c2)nn1C	159673424	VRTWBGBXOFSHMH-LBPRGKRZSA-N	304.369	2.327	70	20	DEID	
C[C@H](N[C@@H](C)c1cccc(F)c1F)C(=O)Nc1ncccn1	159511165	RBZXNYMQMRBXJQ-UWVGGRQHSA-N	306.316	2.433	70	20	DEID	
Cc1ccc(-c2cnc(CCC(=O)NCC(C)(C)N)o2)cc1	159924909	ROWGOPMAQGUHDM-UHFFFAOYSA-N	301.390	2.436	70	20	DEID	
O=C(Nc1ccc(F)cc1)N1CCC(Cn2ccnn2)CC1	159742505	YVHYDADEJYPHHH-UHFFFAOYSA-N	303.341	2.361	70	20	DEID	
COc1ccsc1S(=O)(=O)Nc1cccc2[nH]cnc12	159751373	URTHKWYXLLYUSL-UHFFFAOYSA-N	309.372	2.434	70	20	DEID	
O=C(N[C@@H]1CCOC2(CCCC2)C1)[C@@H]1COc2ccccc2O1	159391025	MKCAAJNGMMBICL-CJNGLKHVSA-N	317.385	2.434	70	20	DEID	
CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@H]1CCC(C)(C)C1	1338815368	LKLSBRBTMYGZJG-VIFPVBQESA-N	302.371	2.324	70	20	DEID	
O=C(/C=C/C(=O)N1CCCCCC1)Nc1ccc2[nH]ncc2c1	161132389	GZLIMEOYRJXKJC-BQYQJAHWSA-N	312.373	2.460	70	20	DEID	
C[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc2[nH]c(=O)n(C)c2c1	161178047	OIQRSQHBJGPFLD-DGCLKSJQSA-N	301.390	2.423	70	20	DEID	
CNC[C@H]1CCCN1C(=O)CCCOCCc1ccccc1	161227774	GOQPOYMFYXVMRW-QGZVFWFLSA-N	304.434	2.236	70	20	DEID	
CCN(C(=O)CN1CCN(c2ccncc2)CC1)c1ccccc1	161303876	GRJGTTSLBBMLQL-UHFFFAOYSA-N	324.428	2.257	70	20	DEID	
O=C(NCC1(c2cccs2)CCCCC1)[C@@H]1CNCCO1	160497550	GNIJBKRYYPOUIS-ZDUSSCGKSA-N	308.447	2.055	70	20	DEID	
O=C(NCCCO)Nc1cc(CC2CC2)nn1-c1ccccc1	160990577	AMBCPTRIAGPMPH-UHFFFAOYSA-N	314.389	2.329	70	20	DEID	
C[C@H]1[C@@H](C)OCCN1C(=O)NC[C@@H](C)N1CCc2ccccc21	159887182	AYBLGZFQECCBAA-QLFBSQMISA-N	317.433	2.256	70	20	DEID	
C[C@@H](CN1CCCCC1)NCc1ccc(S(C)(=O)=O)cc1	159738602	PCRJKYOXRNMBAC-AWEZNQCLSA-N	310.463	2.054	70	20	DEID	
O=C(NCCc1cscn1)N1CCCC[C@H]1c1ncc[nH]1	159368696	DNQFDHUSYHFMFZ-LBPRGKRZSA-N	305.407	2.346	70	20	DEID	
Cc1cc(N[C@@H]2CCCN(c3cccc(F)c3)C2=O)nn1C	159577127	LZPAYHJZXCNWAO-CQSZACIVSA-N	302.353	2.475	70	20	DEID	
CCCCCOCC(=O)Nc1ccc(S(=O)(=O)F)cc1	122970752	IMCPIGHQDAWRCY-UHFFFAOYSA-N	303.355	2.490	70	20	DEID	
O=C(NCCCO[C@H]1CCCc2ccccc21)[C@H]1CSCN1	160123194	XFLIXZXLFFFPEO-CVEARBPZSA-N	320.458	2.249	70	20	DEID	
CS(=O)(=O)CCCCS(=O)(=O)Cc1cccc(Cl)c1	160315392	QNHLGKJWDJPWOS-UHFFFAOYSA-N	324.851	2.080	70	20	DEID	
CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)N[C@H]1C=CCCC1	160452301	WPZCAOXPCMCNBL-JTQLQIEISA-N	318.402	2.235	70	20	DEID	
CC(C)[C@H](CCO)NC(=O)CCCc1nc(C(C)(C)C)no1	160701556	SVRWYDPWVFSLFY-LBPRGKRZSA-N	311.426	2.213	70	20	DEID	
C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1nccn1C	160751567	KUNBTYMQTCRMTR-GFCCVEGCSA-N	307.419	2.017	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)COc1ccc(F)c(Cl)c1	160821280	WCGQHNFMUXFYGX-VIFPVBQESA-N	317.744	2.316	70	20	DEID	
CCCOc1ccccc1NC(=O)C(=O)N[C@@H]1CCC[C@H]1OC	159802446	RFGHFAKYCXBNJW-TZMCWYRMSA-N	320.389	2.098	70	20	DEID	
COC(=O)CCCC(=O)N1CCN([C@@H](C)c2ccsc2)CC1	159422130	JPTGDUPRPWLBRQ-ZDUSSCGKSA-N	324.446	2.297	70	20	DEID	
CC[C@@H](NC(=O)Nc1ccc(C(=O)NC)cc1)[C@H]1CCCO1	159852607	NCNSPMQAAZGJAL-ZIAGYGMSSA-N	305.378	2.125	70	20	DEID	
CCC[C@H]1CN(C(=O)NCc2cccc(CN(C)C)c2)CCO1	159665426	WTOKBIIVXUGOHX-KRWDZBQOSA-N	319.449	2.459	70	20	DEID	
O=S(=O)(Cc1cc(Cl)ccc1F)NCc1ccncc1	159490385	DQRBCEIYLWCJKH-UHFFFAOYSA-N	314.769	2.494	70	20	DEID	
CCc1nc(CN(Cc2ccccc2)[C@H](CO)C2CC2)n[nH]1	159515817	GJZCRUFVYQOLCJ-OAHLLOKOSA-N	300.406	2.140	70	20	DEID	
O=C(NCCO)Nc1ccnn1Cc1cccc2ccccc12	159538102	DJVPNAYZNZUYDE-UHFFFAOYSA-N	310.357	2.198	70	20	DEID	
CC(C)N(CCN(C)C)C(=O)N[C@H]1CCCC[C@H]1n1cccn1	159366878	QEZUMQIIBHPCGD-JKSUJKDBSA-N	321.469	2.348	70	20	DEID	
C[C@@H](Cc1ccccn1)NC(=O)c1ccc(S(=O)(=O)F)cc1	864244073	KDOFTNACRZHNBP-NSHDSACASA-N	322.361	2.101	70	20	DEID	
CC(C)(F)CCNC(=O)Cc1ccc(S(=O)(=O)F)cc1	1355008222	FCGURLNQKIYYDU-UHFFFAOYSA-N	305.346	2.142	70	20	DEID	
C[C@H](N[C@@H]1CCC[C@H](N(C)C)C1)c1ccc(-n2cnnn2)cc1	161119408	LQCMRRUTVZJWTA-LXZKKBNFSA-N	314.437	2.186	70	20	DEID	
COc1ccsc1S(=O)(=O)N(CCCO)CC(C)(C)C	161353020	YLEFPLVKONEVRK-UHFFFAOYSA-N	321.464	2.176	70	20	DEID	
CC[C@](C)(O)CNS(=O)(=O)Cc1cc(Cl)ccc1F	160285050	BZCMHDFIGMAWHF-LBPRGKRZSA-N	309.790	2.060	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)c1cnc(-c2ccccc2)nc1	160441955	DHVGOXLIKQBBGT-LBPRGKRZSA-N	313.357	2.215	70	20	DEID	
CCC(N)(CC)CNC(=O)Cc1csc(-c2cccnc2)n1	160490799	RDMKITPSMIZEFZ-UHFFFAOYSA-N	318.446	2.381	70	20	DEID	
CCOCCNC(=O)C1CCC(NC(=O)CC2CCCC2)CC1	160493341	LBTLKDLFPREICA-UHFFFAOYSA-N	324.465	2.394	70	20	DEID	
CC(C)N(C)C(=O)C[S@@](=O)c1ncc(C(C)(C)C)s1	160537111	DDUNTIQZBXZZLC-IBGZPJMESA-N	302.465	2.415	70	20	DEID	
C[C@H](CO)N(C)C(=O)c1cccc(NC(=O)c2cccs2)c1	160549842	CFTOIOVHCJGOMN-LLVKDONJSA-N	318.398	2.453	70	20	DEID	
COC[C@H](NCc1ccc(CN2CCOCC2)cc1)C1CC1	160637797	GJMIWGQJPHHFNX-SFHVURJKSA-N	304.434	2.033	70	20	DEID	
COc1cc(CNC(=O)NCc2nc(C3CC3)cs2)ccn1	159407741	HDHZOXAEXCWINA-UHFFFAOYSA-N	318.402	2.424	70	20	DEID	
CC(C)=CC(=O)NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2	159483058	LJRZVFMYDFUCMA-LBPRGKRZSA-N	311.765	2.227	70	20	DEID	
CCCCn1ncc(NC(=O)NCC(=O)N2CCCCC2)c1C	159710288	WVAIOWAWUABHOT-UHFFFAOYSA-N	321.425	2.126	70	20	DEID	
O=C(NC[C@H]1CCN(C2CC2)C1)N1CCc2cccc(F)c2C1	159732181	BLNXPLMRWNBQDB-CYBMUJFWSA-N	317.408	2.378	70	20	DEID	
CCC[C@@H](CCO)CNC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1	159362537	WIIURMBPKMMZAW-LRDDRELGSA-N	322.380	2.234	70	20	DEID	
CSCC[C@H](N)C(=O)NCCc1c[nH]c2c(C)cccc12	159560963	SJAXTJMEPJRLMH-AWEZNQCLSA-N	305.447	2.215	70	20	DEID	
O=C(c1cccs1)N1CCCC[C@@H]1CCS(=O)(=O)F	1615056921	OAOCLUXPAVTGMG-SNVBAGLBSA-N	305.396	2.432	70	20	DEID	
Cc1ccc(NC(=O)c2cccc(N)c2)cc1S(=O)(=O)F	1579722749	MHCLSELNXSOPLQ-UHFFFAOYSA-N	308.334	2.488	70	20	DEID	
Cc1c(F)cccc1S(=O)(=O)NC[C@H](O)Cc1ccccc1	161077442	QIMNWWDRPVQJJC-CQSZACIVSA-N	323.389	2.016	70	20	DEID	
C[C@@H]1CN(C(=O)c2ccc(C(=O)NC3CC3)cc2)CC(C)(C)O1	161231352	ICRWGJBBYLLRKE-GFCCVEGCSA-N	316.401	2.218	70	20	DEID	
COC1(C(=O)N2CC[C@H](c3ccccc3)[C@@H](C)C2)CCNCC1	161238054	UDTFHQIPZURXBE-RDJZCZTQSA-N	316.445	2.407	70	20	DEID	
CCOC(=O)c1c(C)oc2nc(CN(C)C3CCC3)nc(N)c12	161269997	LZSYABVSMGDVTC-UHFFFAOYSA-N	318.377	2.274	70	20	DEID	
O=c1c2ccoc2ccn1C[C@H](O)COc1ccc(F)cc1	161389435	LWTKBLCSOVCNNG-LBPRGKRZSA-N	303.289	2.174	70	20	DEID	
O=C(CNC[C@@H]1CCCO1)N1CCSC2(CCCCC2)C1	161450277	AMNVTPCYHAMNHD-AWEZNQCLSA-N	312.479	2.033	70	20	DEID	
C[C@H](SCCN1CCOCC1)C(=O)N(C)Cc1ccccc1	160042480	RANVNOLEJHDJJV-HNNXBMFYSA-N	322.474	2.099	70	20	DEID	
O=C(CCC1CCCC1)CSc1nnnn1C[C@@H]1CCCO1	160162112	KMSFWYUNPSOPDF-AWEZNQCLSA-N	324.450	2.484	70	20	DEID	
CS(=O)(=O)CCCC[S@@](=O)c1ccc2c(c1)CCC2	160417779	RCKFYUZQNBMXQB-SFHVURJKSA-N	300.445	2.108	70	20	DEID	
CCC(N)(CC)CNC(=O)CCc1cnn(-c2ccccc2)c1	160428586	VTEVHUAIVKODRC-UHFFFAOYSA-N	314.433	2.439	70	20	DEID	
O=C(Nc1cccc(NC(=O)C2CC2)c1)N[C@H]1CC[C@H](O)CC1	160580139	JYHOOFHEILTHLN-JNSHFYNHSA-N	317.389	2.460	70	20	DEID	
CCCCCc1nnc(NC(=O)C2(O)CCSCC2)s1	160903797	WERSCLAVPFSCAT-UHFFFAOYSA-N	315.464	2.467	70	20	DEID	
Cc1cc(NC(=O)[C@H]2CCCNC2)ccc1OC1CCOCC1	160940180	QKOMCRJEISKPGS-AWEZNQCLSA-N	318.417	2.491	70	20	DEID	
Cc1ccc(S(=O)(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1C	159867173	OWIDMUFQZSWTTR-SJORKVTESA-N	317.410	2.240	70	20	DEID	
CCN1CCCC[C@H]1CNC(=O)c1c(C)[nH]c(C(=O)OC)c1C	159755289	BIOMUWMOVVVCFJ-ZDUSSCGKSA-N	321.421	2.022	70	20	DEID	
CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)N(C)C[C@H](C)O	159573798	VXJDGXKHRATJMU-QWRGUYRKSA-N	318.373	2.275	70	20	DEID	
O=C(CC[C@@H]1CCOC1)Nc1cccc(S(=O)(=O)F)c1	460091262	JMENUANGDGCVHE-SNVBAGLBSA-N	301.339	2.100	70	20	DEID	
CN(C)c1ncccc1NC(=O)c1ccc(S(=O)(=O)F)cc1	864239929	MDBKJZBJUHNCKA-UHFFFAOYSA-N	323.349	2.058	70	20	DEID	
CCC(CC)(CC)CNC(=O)NCCNC(=O)c1cccnc1	160007547	NEZKDPRWYGROLF-UHFFFAOYSA-N	320.437	2.327	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)[C@@H](CC)Oc1ccccc1F	160031561	LRWYCBGYQWNVBV-WCQYABFASA-N	311.353	2.441	70	20	DEID	
COc1ccc2nc(-c3ccc4c(c3)ncn4C)[nH]c(=O)c2c1	160348707	YVBLUAFURLZSOE-UHFFFAOYSA-N	306.325	2.485	70	20	DEID	
CCc1ccc([C@@H](C)C(=O)NC[C@@H](O)CN2CCCCC2)cc1	160464481	CRBKEWMECQHKMH-CRAIPNDOSA-N	318.461	2.316	70	20	DEID	
CC1(C)CCC[C@@H]1NC(=O)N1CCN(Cc2ccccn2)CC1	160609613	UXVKBWTZILNAHM-INIZCTEOSA-N	316.449	2.488	70	20	DEID	
C[C@@H](C[C@H](O)c1ccccc1)NC(=O)c1cc(N(C)C)ccn1	160695726	XQCDXYVCAUUROY-GUYCJALGSA-N	313.401	2.390	70	20	DEID	
CC(=O)c1cccc(O[C@@H](C)C(=O)N[C@@H](CCO)C(C)C)c1	160752562	RMAMCCSEINECTL-BBRMVZONSA-N	307.390	2.180	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)c1cccc(NC(=O)CC)c1	160752646	IUCRMJJODBGRLQ-NSHDSACASA-N	306.362	2.107	70	20	DEID	
COc1cccc(OCCCNC(=O)NCc2ccccn2)c1	160994233	XAVJHROYRWAQAL-UHFFFAOYSA-N	315.373	2.359	70	20	DEID	
CC(C)c1nccn1CCC(=O)N[C@@H]1c2ccccc2C[C@@H]1O	159892761	SILGJOPDMBYHLL-DOTOQJQBSA-N	313.401	2.171	70	20	DEID	
CCN1CCCN(C(=O)NC[C@@H](C)Oc2ccccc2C)CC1	159919211	WYKGOUMMYPKEMQ-MRXNPFEDSA-N	319.449	2.500	70	20	DEID	
CCC[C@@H]1CN(C(=O)NCc2cccnc2OCC)CCO1	159541542	ZAHOEQRPFAFIEY-CQSZACIVSA-N	307.394	2.191	70	20	DEID	
Cc1ccc(C(F)(F)F)cc1NC(=O)NCC1(CO)COC1	159585415	JMMDWNNLBOAJEN-UHFFFAOYSA-N	318.295	2.144	70	20	DEID	
CC1(O)CCN(CC(=O)Nc2ccc(F)cc2Cl)CC1	161208185	RCLREMXVLRIUEH-UHFFFAOYSA-N	300.761	2.264	70	20	DEID	
C#C[C@H](CC)Nc1ccc([N+](=O)[O-])cc1CS(=O)(=O)F	882251687	QQVOBRKUDZVKHD-SNVBAGLBSA-N	300.311	2.218	70	20	DEID	
CO[C@@H](C)[C@H](C)NC(=O)c1cc(S(=O)(=O)F)ccc1Cl	1340669015	OXAUPUQWROYRON-YUMQZZPRSA-N	323.773	2.151	70	20	DEID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N[C@H](C#N)C1CCCC1	1349780138	YDARLDFRRDNGSI-CQSZACIVSA-N	324.377	2.465	70	20	DEID	
CNC(=O)C(C)(C)CNc1ncnc2sc3c(c12)CCC3	161109271	XOKRZYKZNIJMJZ-UHFFFAOYSA-N	304.419	2.364	70	20	DEID	
C[C@H](NCCCc1nnc2n1CCCCC2)C1CCN(C)CC1	161188748	WSTPXWYEUWYLQN-HNNXBMFYSA-N	319.497	2.257	70	20	DEID	
CC(C)(CO)CCCNC(=O)c1cc(=O)[nH]c2cc(F)ccc12	160390258	LIMGIOYZNNNINO-UHFFFAOYSA-N	320.364	2.196	70	20	DEID	
CNc1snc(C)c1C(=O)N(C)c1ccc2c(c1)OCO2	160411411	LYCNWFIQOIWIFL-UHFFFAOYSA-N	305.359	2.499	70	20	DEID	
C[C@H]1C[C@H](NCc2ccccc2CN2CCOCC2)CCN1C	160424828	QNYSGWRZFMWUBR-QFBILLFUSA-N	317.477	2.091	70	20	DEID	
CCc1n[nH]c(=O)c(CNC(=O)N(CC)[C@H](C)C(C)C)c1CC	160450200	WBBOOAPYQBWKLM-GFCCVEGCSA-N	322.453	2.471	70	20	DEID	
O=C1CC[C@@H]2CN(C(=O)c3ccc(Cl)cc3F)CC[C@H]2N1	160639378	PRMDGZKTGKEWKR-NOZJJQNGSA-N	310.756	2.220	70	20	DEID	
CCc1cc(NC(=O)N[C@H](C(=O)OC(C)(C)C)C(C)C)n(C)n1	160739969	XHRJCKQYMKNFOJ-ZDUSSCGKSA-N	324.425	2.470	70	20	DEID	
CN([C@@H]1CCSC1)S(=O)(=O)c1c(F)cc(F)cc1F	159419787	GZJIPSBCROSOFB-MRVPVSSYSA-N	311.350	2.230	70	20	DEID	
CCCOc1ccc(/C=C/C(=O)N2CCNCC2)cc1OCC	159429250	JFTHAUXMJQOYBF-SOFGYWHQSA-N	318.417	2.319	70	20	DEID	
CCCC[C@H](NC(=O)NC[C@@H]1CCCS1(=O)=O)C1CCC1	159649052	GRTPVISVDQTKGG-KBPBESRZSA-N	316.467	2.222	70	20	DEID	
Cc1c(/C=C/C(=O)NCc2ccc(OC(C)C)nc2)cnn1C	159727751	RQCSYPLPPTYGJV-VOTSOKGWSA-N	314.389	2.240	70	20	DEID	
Cn1cnnc1[C@@H]1CCCN1C(=O)Nc1cccc(F)c1F	159984463	LATOCFXZNOWWIJ-NSHDSACASA-N	307.304	2.462	70	20	DEID	
CSC[C@@](C)(O)CNC(=O)c1cccc(-n2cccc2)c1	217654034	GRBGQPRFPZAOCN-INIZCTEOSA-N	304.415	2.321	70	20	DEID	
CN(Cc1cccs1)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1337667647	WSPNTTIIQNQFOD-UHFFFAOYSA-N	302.352	2.007	70	20	DEID	
CC(=O)Nc1cc(C)c(S(=O)(=O)F)cc1Br	238852684	HBUHZKDYAWMMSC-UHFFFAOYSA-N	310.144	2.374	70	20	DEID	
CCN(C(=O)[C@H](C)N(C)Cc1cnn(C)c1)C1CCCCC1	161063733	HZYLAZHMLGKVQK-AWEZNQCLSA-N	306.454	2.422	70	20	DEID	
CN(CC1CCOCC1)C(=O)Nc1cnn(CC(F)(F)F)c1	161384002	ZMQLAGRDQKBOQI-UHFFFAOYSA-N	320.315	2.336	70	20	DEID	
CCCn1nccc1CNc1ccc(NS(C)(=O)=O)cc1	160055719	NGTZRCBDLDNFTJ-UHFFFAOYSA-N	308.407	2.277	70	20	DEID	
Cc1noc(C)c1C[C@@H](C)NC(=O)[C@H]1NCCc2ccccc21	160224496	SAWKJRBPDADZLF-DIFFPNOSSA-N	313.401	2.226	70	20	DEID	
Cn1c(C(=O)NCCOc2cccc3ccccc23)cccc1=O	160497261	WFLZWBABPGSVKO-UHFFFAOYSA-N	322.364	2.347	70	20	DEID	
CC(C)[C@@H](CCO)NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1	160503956	OATCYEDVAUDBEY-DLBZAZTESA-N	321.417	2.381	70	20	DEID	
CC(C)CN1CCC[C@@H]1CNC(=O)[C@H]1COc2ccccc2O1	160537696	KDTYBPOJPMERPD-RHSMWYFYSA-N	318.417	2.063	70	20	DEID	
NC(=O)c1ccc(S(=O)(=O)N2CCC3(CCCC3)CC2)cc1	160589293	RAANNXOONORFDF-UHFFFAOYSA-N	322.430	2.130	70	20	DEID	
COc1ccc(NS(=O)(=O)c2cc(F)ccc2F)c(C)n1	160660959	WLWWKQZPWCSKEH-UHFFFAOYSA-N	314.313	2.478	70	20	DEID	
O=C(NC[C@H]1CCC[C@@H](O)C1)Nc1ccn(CC(F)(F)F)n1	160688746	OTFAWDQYQRAZGB-VHSXEESVSA-N	320.315	2.118	70	20	DEID	
O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)N1CCC[C@@H]1CO	160692786	RCIIPSXXBVVXOQ-OAGGEKHMSA-N	304.390	2.073	70	20	DEID	
CCC[C@H]1C(=O)NCCN1C(=O)Nc1ccc(OC)cc1C	160991151	YQNZIQFKHNFUCO-AWEZNQCLSA-N	305.378	2.136	70	20	DEID	
Cc1cccc(-n2cc(C(=O)N(C)Cc3ccncc3)nn2)c1	159430127	KQNMDHUHBXRPBT-UHFFFAOYSA-N	307.357	2.243	70	20	DEID	
Cc1ccccc1CN(C)C(=O)[C@@H](C)N(C)C[C@@H]1CCC[C@@H]1O	159651662	SDGAKBOVMCPADF-NJAFHUGGSA-N	318.461	2.435	70	20	DEID	
COCC[C@@H](C)NC(=O)c1cc(-c2cccc(OC)c2)n[nH]1	159718941	USGLKQUMLHALHV-LLVKDONJSA-N	303.362	2.240	70	20	DEID	
CCN1CCC(NC(=O)NCc2ccnc(OC(C)C)c2)CC1	159574826	YCYKUBWHZNCMQK-UHFFFAOYSA-N	320.437	2.152	70	20	DEID	
CSCC[C@H](N)C(=O)N[C@H](C)c1ccccc1-n1cccn1	159590239	XHMMIPSDVIABRM-OCCSQVGLSA-N	318.446	2.130	70	20	DEID	
CC(C)(CO)CN[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1	160127178	WBYFQUDXXKVQOJ-QWHCGFSZSA-N	300.443	2.430	70	20	DEID	
FC(F)CN1CCC(NCCc2ccc3c(c2)OCO3)CC1	161127653	GRKIXAXEQVHKKA-UHFFFAOYSA-N	312.360	2.277	70	20	DEID	
COc1ccc2nc(C)cc(C(=O)NC[C@H]3CCN(C)C3)c2c1	161308509	RTNAPRCSYSYHRO-CYBMUJFWSA-N	313.401	2.233	70	20	DEID	
CS(=O)(=O)CCCCN1CCC(c2ccc(O)cc2)CC1	161323959	XOUUGDTVYMBBHG-UHFFFAOYSA-N	311.447	2.396	70	20	DEID	
CNC(=O)c1ccc(NC(=O)Cc2c(C)noc2C)c(Cl)c1	160332554	VBTIOSFOHGASCJ-UHFFFAOYSA-N	321.764	2.486	70	20	DEID	
COCCCN(C)C(=O)Nc1ccc(O[C@H]2CCOC2)cc1	160359219	LWDPJXNIKBIBLJ-HNNXBMFYSA-N	308.378	2.355	70	20	DEID	
Cc1nc(CCC(=O)N(C)[C@@H](C)CO)oc1-c1ccccc1	160370337	QVWDDHULDFFYFW-LBPRGKRZSA-N	302.374	2.422	70	20	DEID	
CN[C@@H]1CCN(C(=O)c2cccnc2Nc2ccccc2F)C1	160469189	WLSNRXWXXNBFBW-GFCCVEGCSA-N	314.364	2.398	70	20	DEID	
CC[C@@H]1CCCCN1C(=O)C(=O)Nc1cc(C(=O)OC)cs1	160478440	YMMAKPIERPPKHF-LLVKDONJSA-N	324.402	2.264	70	20	DEID	
CC(=O)Nc1cc(C(=O)N(C)Cc2cccn2C)ccc1F	160551868	UJEUTWVLNSBWFO-UHFFFAOYSA-N	303.337	2.395	70	20	DEID	
C[C@H](C(=O)NC1CC1)[S@@](=O)c1ncc(C(C)(C)C)s1	160568123	SLNPVEMLJLYFHU-YLVJLNSGSA-N	300.449	2.215	70	20	DEID	
CC(C)c1nn(C)c(Cl)c1C(=O)NCCN1CCCCC1	160569531	XOMYXXOVGOTYPK-UHFFFAOYSA-N	312.845	2.413	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)Cn1ccc2cc(OC)ccc21	160574680	VYIIVWGPCYSIEJ-LBPRGKRZSA-N	318.373	2.108	70	20	DEID	
C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1nccn1C	160751454	KUNBTYMQTCRMTR-LBPRGKRZSA-N	307.419	2.017	70	20	DEID	
CCC(=O)c1cccc(NC(=O)Cn2c(C)cc(O)cc2=O)c1	160811523	WHPLZPXENOUJJH-UHFFFAOYSA-N	314.341	2.094	70	20	DEID	
COC(=O)c1ccc(S(=O)(=O)Nc2c(C)cccc2F)o1	160812128	IERABTQSJCSPTQ-UHFFFAOYSA-N	313.306	2.315	70	20	DEID	
O=C(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1cc[nH]c1	159803977	HYOJECHMCHOJEL-ZDUSSCGKSA-N	321.739	2.343	70	20	DEID	
CC[C@@H](NC(=O)c1cnc(C(F)(F)F)nc1)[C@@H]1CCCO1	159415541	NRNNFABEIKVZRS-ZJUUUORDSA-N	303.284	2.183	70	20	DEID	
CC[C@H](c1ccccc1)N(CC(=O)NCC(C)C)CC(=O)OC	159661911	HOZCGTXNFOXMHF-MRXNPFEDSA-N	320.433	2.385	70	20	DEID	
CC(=O)c1ccc(NC(=O)c2cnc(C(F)(F)F)nc2)nc1	159506768	FNXLMRGQYUFIQU-UHFFFAOYSA-N	310.235	2.345	70	20	DEID	
O=C(NCCc1cscn1)N1CCC[C@H](N2CCCC2)CC1	159508553	LHWOYYHJWLNNAP-HNNXBMFYSA-N	322.478	2.346	70	20	DEID	
CCCc1noc(CCCC(=O)NCC2(N)CCCCC2)n1	159711865	JKCIMWIMLWOUID-UHFFFAOYSA-N	308.426	2.123	70	20	DEID	
COCc1cc(N[C@@H](C)CN2CCOCC2)nc(C(C)(C)C)n1	159732900	UWWQNEHDSXIKFL-ZDUSSCGKSA-N	322.453	2.053	70	20	DEID	
Cc1nccc(NC(=O)N[C@@H]2CCCC[C@@H]2C(N)=O)c1Cl	159756751	MSTDMNJCWBNJAC-VHSXEESVSA-N	310.785	2.209	70	20	DEID	
CCOC(CCNc1ccc(S(C)(=O)=O)cc1)OCC	159531921	RVMBCAVPCLZPKB-UHFFFAOYSA-N	301.408	2.291	70	20	DEID	
Cc1ncccc1CC(=O)Nc1cccc(S(=O)(=O)F)c1	460087879	BLIMHCYCENWTSX-UHFFFAOYSA-N	308.334	2.229	70	20	DEID	
Cc1ccncc1CC(=O)Nc1ccc(S(=O)(=O)F)cc1	864238930	TVZCQFFJIJICQW-UHFFFAOYSA-N	308.334	2.229	70	20	DEID	
Cc1conc1NC(=O)C(=O)N[C@H](c1ccccc1)C(C)C	160086772	ACNPICRFOVOQCS-ZDUSSCGKSA-N	301.346	2.435	70	20	DEID	
CCC(O)(CC)CNS(=O)(=O)c1cc(OC)ccc1Cl	160211673	QDFBAYMMQKDXMK-UHFFFAOYSA-N	321.826	2.178	70	20	DEID	
Cc1cc(NC(=O)C(=O)NCC(C)(C)C2CCCCC2)n(C)n1	160214154	GEPKEPPQDBILBZ-UHFFFAOYSA-N	320.437	2.390	70	20	DEID	
CC[C@@H](COC)NCc1ccc(CN2CCN(CC)CC2)cc1	160329613	QUCZKKJQAYTBSG-IBGZPJMESA-N	319.493	2.339	70	20	DEID	
O=C(NCCCNc1ccccn1)[C@H]1OCCc2ccccc21	160435211	FQWCBSWGRZGLNN-KRWDZBQOSA-N	311.385	2.314	70	20	DEID	
O=C1CC[C@H]2CN(C(=O)c3ccc(F)cc3Cl)CC[C@@H]2N1	160561032	AJCDWTMENCBJBT-ZANVPECISA-N	310.756	2.220	70	20	DEID	
O=C(Nc1[nH]ncc1-c1ccc2c(c1)OCO2)[C@@H]1CCCCO1	159808817	BUCRMGPZUBBKBT-ZDUSSCGKSA-N	315.329	2.313	70	20	DEID	
CN(C)c1ccc(C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)c(F)c1	159859134	MYSNCFAZGNWIDB-NSHDSACASA-N	321.396	2.021	70	20	DEID	
CCCNC(=O)CCCC(=O)N[C@@H]1CCOC2(CCCC2)C1	159875314	SLTNCFMVCMFUMJ-CQSZACIVSA-N	310.438	2.291	70	20	DEID	
CC[C@]1(C)C[C@H]1C(=O)N1CCN(C(=O)c2cccs2)CC1	159884462	LGTZVOVQGRGRAU-BLLLJJGKSA-N	306.431	2.469	70	20	DEID	
CN([C@H](CN)C1CC1)S(=O)(=O)c1ccc2ccccc2c1	159917251	SSMIJCKPUFPEEN-MRXNPFEDSA-N	304.415	2.198	70	20	DEID	
CC(C)OC1CCC(NC(=O)[C@H]2CCc3cn[nH]c3C2)CC1	159565343	BWBZHLLGWOFIAG-GRTSSRMGSA-N	305.422	2.367	70	20	DEID	
CC(C)c1ccc(C(=O)NCc2nnc3n2CCCCC3)cn1	161434704	LCNQBMJOVPHTME-UHFFFAOYSA-N	313.405	2.453	70	20	DEID	
CCOc1ccc(/C=C/C(=O)NCC(C)(C)N)cc1OCC	160017712	PQKPDVIAIQNNDI-CSKARUKUSA-N	306.406	2.351	70	20	DEID	
NC(=O)[C@H]1CCCN1Cc1c(Cl)cccc1OC(F)F	160333562	RQFNAIHFAMAZOE-SNVBAGLBSA-N	304.724	2.391	70	20	DEID	
C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N(C)[C@H](C)CO	160367902	ZAUDIBARCBMWOG-NXEZZACHSA-N	305.296	2.312	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)c1cc(-c2ccc(C)cc2)n[nH]1	160402244	KALHKGCTBBQDLO-GFCCVEGCSA-N	315.373	2.457	70	20	DEID	
O=C1CC[C@@H]2CN(c3cc(Cl)nc(C4CC4)n3)CC[C@H]2N1	160514629	WOTQYDWSPDDLEK-GHMZBOCLSA-N	306.797	2.112	70	20	DEID	
NC(=O)Nc1cccc(C(=O)NC[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)c1	159872238	JDGXPCZLANYSJD-ZACQAIPSSA-N	321.380	2.493	70	20	DEID	
C[C@H]1CSc2ccccc2N(C(=O)[C@H]2CC(=O)N(C)C2)C1	159505651	LIZFNVBLFHSIEL-NEPJUHHUSA-N	304.415	2.240	70	20	DEID	
Cc1ccccc1NC(=O)[C@H](C)SCCN1CCOCC1	159796798	HHFZQZCOHUKAQE-AWEZNQCLSA-N	308.447	2.387	70	20	DEID	
CSC[C@@](C)(O)CNC(=O)CCc1nc2ccccc2s1	217716349	KIGMZGPCWUNHFO-HNNXBMFYSA-N	324.471	2.459	70	20	DEID	
Cc1c(NC(=O)N2CCC(CO)CC2)cnn1CCC(C)C	161389111	LFSQSPFKVWMOTD-UHFFFAOYSA-N	308.426	2.474	70	20	DEID	
CC(C)(C)C(=O)NCCC(=O)NC[C@@H]1[C@H]2c3ccccc3C[C@@H]12	161479943	XHYXBRQXDBRPRG-ZOBUZTSGSA-N	314.429	2.241	70	20	DEID	
COCCNC(=O)N(C)Cc1cccc(OC(F)(F)F)c1	160292591	HXTRKZUDFRCASC-UHFFFAOYSA-N	306.284	2.373	70	20	DEID	
CCc1cc(O)nc(CN(C)CCOc2ccc(F)cc2)n1	160590605	QKPOYVFZKSACAP-UHFFFAOYSA-N	305.353	2.395	70	20	DEID	
O=C(CCC1CCCC1)CN1C(=O)C(=O)N(C2CCCC2)C1=O	159897055	GKVFFSQRKAYJLE-UHFFFAOYSA-N	320.389	2.259	70	20	DEID	
COC[C@@H](O)CNC(=O)CCCc1ccc(CC(C)C)cc1	159370493	IEHIUSDONLKVLI-KRWDZBQOSA-N	307.434	2.331	70	20	DEID	
Cn1cc([C@]2(C)CN(c3nc(C(C)(C)C)ns3)CCO2)cn1	159977930	JFODHVCXRKHDEP-HNNXBMFYSA-N	321.450	2.321	70	20	DEID	
CCN(Cc1cccs1)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1345450839	GHPUZPLNZAWJFQ-UHFFFAOYSA-N	316.379	2.397	70	20	DEID	
CN(CC(C)(C)C)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1	161094214	JLACORWSCBXURK-GFCCVEGCSA-N	314.426	2.127	70	20	DEID	
CC1=C(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CCCO1	161376501	NZOJEPHNAVBMFJ-UHFFFAOYSA-N	310.394	2.150	70	20	DEID	
CCc1c(-c2nc(Cc3noc(C)n3)no2)cnn1CC(C)C	161419566	ATXQHPXQEWLHPJ-UHFFFAOYSA-N	316.365	2.434	70	20	DEID	
COc1cccc2c1CC[C@@H]2NC(=O)[C@@H](C)NC(=O)C(C)(C)C	160058431	QMKSXHKDWRKIPT-RISCZKNCSA-N	318.417	2.350	70	20	DEID	
CCN(C(C)=O)c1nc(CNCC2(CO)CCCC2)cs1	160105429	PCLPJJKOHYZOBF-UHFFFAOYSA-N	311.451	2.158	70	20	DEID	
COc1ccc(S(=O)(=O)NCC2(C3CC3)CC2)cc1OC	160138402	OQLHWMQNUKFCGV-UHFFFAOYSA-N	311.403	2.172	70	20	DEID	
COCCN(Cc1ccc(C)o1)C(=O)N[C@H](C)Cn1ccnc1	160264566	IDWDBABLUBCRLL-CYBMUJFWSA-N	320.393	2.031	70	20	DEID	
C[C@@H]1CN(CC2CCN(CCOCC3CC3)CC2)C[C@@H](C)O1	160289732	XVQZIQJGHNQEGO-HZPDHXFCSA-N	310.482	2.234	70	20	DEID	
C[C@@H](CNC(=O)N1CCC[C@](C)(O)C1)N(C)c1ccccc1	160301240	GYCPKFHPHBRADA-YOEHRIQHSA-N	305.422	2.068	70	20	DEID	
C[C@@H]1CCCCN1CCCCNC(=O)N1CCC[C@@](C)(O)C1	160356368	VJPNCRIJFRRYHQ-NVXWUHKLSA-N	311.470	2.197	70	20	DEID	
O=C(COC[C@@H]1CCCO1)N[C@@H]1CCOC2(CCCCC2)C1	160432140	YDDIMXLUUFODOA-CABCVRRESA-N	311.422	2.180	70	20	DEID	
CCC(N)(CC)CNC(=O)c1ccc(N2CCCC2=O)cc1	160448117	KYXMDPHSTAHKNF-UHFFFAOYSA-N	303.406	2.061	70	20	DEID	
COCCOc1cccc(CC(=O)NCCc2ccccn2)c1	160674933	QIVUZZMSOAALFN-UHFFFAOYSA-N	314.385	2.008	70	20	DEID	
Cc1cc(C(=O)NC2CCN([C@H]3CCCC[C@@H]3O)CC2)oc1C	160745936	XZOKPMKXZZOUDX-HOTGVXAUSA-N	320.433	2.394	70	20	DEID	
Cc1sc(=O)n(CC(=O)N2CCc3c(F)cccc3C2)c1C	160855417	WYIFTNSWJKALPB-UHFFFAOYSA-N	320.389	2.251	70	20	DEID	
CC[C@H](NC(=O)Nc1ccc(-n2cccn2)nc1)[C@@H]1CCCO1	160935439	GNDLBHSIGYZWBU-KBPBESRZSA-N	315.377	2.346	70	20	DEID	
CCOC(=O)CCc1ccc(NC(=O)NC[C@H]2CCCO2)cc1	159650334	ZMUAWUSNLGNTNF-OAHLLOKOSA-N	320.389	2.483	70	20	DEID	
CC(=O)Nc1ccc(NC(=O)NCCc2cscn2)cc1	159463842	ASGZQCCZBVHVIE-UHFFFAOYSA-N	304.375	2.466	70	20	DEID	
CC[C@H](NC(=O)Nc1ccc(C(=O)N(C)C)cc1)[C@H]1CCCO1	159673470	FOQVZSXRXZUICO-LSDHHAIUSA-N	319.405	2.468	70	20	DEID	
C[C@@]1(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)CCNC1	159496398	AWGIIDYTGIGTNE-SECBINFHSA-N	318.261	2.329	70	20	DEID	
CCOC(=O)c1[nH]c(C)c(S(=O)(=O)N(C)CC(C)C)c1C	159503731	PBUXIUBMGAXANQ-UHFFFAOYSA-N	316.423	2.085	70	20	DEID	
CCC(=O)N1CCC[C@@H](C(=O)Nc2cc(C3CC3)nc(C)n2)C1	159927175	DOOZHQMZCSZHKF-CYBMUJFWSA-N	316.405	2.250	70	20	DEID	
CCCNC(=O)CSc1nc2ccc(F)cc2c(=O)n1CC	159559729	HOMDGBDBUQVRPG-UHFFFAOYSA-N	323.393	2.174	70	20	DEID	
CC(=O)N1CC[C@H](NC(=O)[C@@H](C)CSc2ccc(F)cc2)C1	159758795	UQHVFJKVEMIVNS-FZMZJTMJSA-N	324.421	2.291	70	20	DEID	
C[C@@H]1CCCN(C[C@@H](C)NC(=O)N(C)CC2CCOCC2)C1	159771016	SMLGKRVJSYJFOU-HUUCEWRRSA-N	311.470	2.175	70	20	DEID	
CC(=O)N1CC[C@H](NC(=O)CSc2ccccc2Cl)C1	159773376	OYOPPODZMHTQOH-NSHDSACASA-N	312.822	2.169	70	20	DEID	
CN(CCc1ccccc1)C(=O)c1cc(S(C)(=O)=O)cs1	159396569	LJVDXNCCLRAOKX-UHFFFAOYSA-N	323.439	2.466	70	20	DEID	
COc1ccc(OC)c(NC(=O)[C@@H](C)Nc2cc(C)n(C)n2)c1	159586773	VOSXVUBDTNSDAD-LLVKDONJSA-N	318.377	2.185	70	20	DEID	
CS(=O)(=O)N(Cc1csc(Br)c1)C1CC1	159592200	SDVSQAXKNSFHQS-UHFFFAOYSA-N	310.238	2.435	70	20	DEID	
COC[C@H](C)[C@H](C)C(=O)Nc1ccc(S(=O)(=O)F)cc1	460093644	OJXSMVGVEZADGA-UWVGGRQHSA-N	303.355	2.202	70	20	DEID	
O=C(OC[C@H]1CCCCO1)c1ccc(S(=O)(=O)F)cc1	490537827	VURHVFDORYZISC-LLVKDONJSA-N	302.323	2.071	70	20	DEID	
CSSCCNC(=O)c1ccc(S(=O)(=O)F)cc1C	1354969454	TXVBPORJWGQXOD-UHFFFAOYSA-N	323.436	2.394	70	20	DEID	
C[C@@H]1CN(C(=O)Cc2ccc(S(=O)(=O)F)cc2)[C@@H](C)[C@@H]1C	1518248518	JOZWKSPKLAUJKX-UTUOFQBUSA-N	313.394	2.390	70	20	DEID	
COCCC1(CNC(=O)N2CCC[C@@H](c3ccn[nH]3)C2)CC1	161012516	VXBZQMFDJMHAHY-CYBMUJFWSA-N	306.410	2.115	70	20	DEID	
CCc1c(C(=O)NCc2ccc(OC)nc2)cnn1CC(C)C	161250025	PJQIMDSUUYAMLW-UHFFFAOYSA-N	316.405	2.435	70	20	DEID	
CCN(CCS(C)(=O)=O)C(=O)Nc1cccc(Cl)c1F	160195971	SKEMQAVWHMOOLC-UHFFFAOYSA-N	322.789	2.378	70	20	DEID	
COCCCN(C)CCNC(=O)C(C)(C)c1ccc(OC)cc1	160004733	LSJYXWTXYLPBCR-UHFFFAOYSA-N	322.449	2.057	70	20	DEID	
COC(=O)c1cccc(NC(=O)N2CCC[C@H]2C[C@@H](C)O)c1	160018305	NHMUNROWSFJGRY-RISCZKNCSA-N	306.362	2.240	70	20	DEID	
COc1cccc(OCC(=O)NC[C@H]2CCCN2CC(C)C)c1	160413603	CEZSXCYZYHVMIS-OAHLLOKOSA-N	320.433	2.311	70	20	DEID	
CC[C@H](C)[C@@H](O)CNC(=O)c1c(-c2ccncc2)noc1C	160439191	WGFDEARZKIIYCA-GWCFXTLKSA-N	303.362	2.182	70	20	DEID	
CCCCNC(=O)C[S@](=O)c1ncc(C(C)(C)C)s1	160530815	VKWMVWYAGZIPMZ-LJQANCHMSA-N	302.465	2.465	70	20	DEID	
COC(=O)C1CCC(NC(=O)C[C@@H](C)c2ccncc2)CC1	160466733	IPBSIMFVBRCUHT-LRVUVFPRSA-N	304.390	2.423	70	20	DEID	
Cc1nnc(-c2ccccc2C(=O)N[C@H](CO)CC(C)C)o1	160761291	JHMOJUUWQFCSJK-LBPRGKRZSA-N	303.362	2.182	70	20	DEID	
Cc1conc1NC(=O)C(=O)NCc1cccc2ccccc12	160839318	VBXUFUQINWLUPP-UHFFFAOYSA-N	309.325	2.391	70	20	DEID	
COC(=O)CCNC(=O)c1cccc(-c2nc(C)cs2)c1	159415332	PJKMFMGULWIRRF-UHFFFAOYSA-N	304.371	2.411	70	20	DEID	
CO[C@@](C)(C(=O)NC[C@@H](O)c1ccsc1)c1ccccc1	159555708	HQPXQRHNUSLNQN-GDBMZVCRSA-N	305.399	2.460	70	20	DEID	
CCCN1CC[C@H](CNC(=O)NC[C@@H](C)c2c(C)noc2C)C1	159764733	RWROUCODUSZAJA-IUODEOHRSA-N	322.453	2.426	70	20	DEID	
Cc1nccc(NC(=O)NC2(CCO)CCOCC2)c1Cl	159381633	VIPIXYMLRBDGKJ-UHFFFAOYSA-N	313.785	2.097	70	20	DEID	
CCC(CC)(CC)CNC(=O)N1CCS(=O)(=O)[C@@H](C)[C@@H]1C	159793833	WCOICLUPXBWKAN-STQMWFEESA-N	318.483	2.420	70	20	DEID	
CCCCCS(=O)(=O)N1CCN(CCc2ccccc2)CC1	217140648	YQHMFDAGELMGIZ-UHFFFAOYSA-N	324.490	2.367	70	20	DEID	
COC[C@H](C)[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)F)cc1	460093645	OJXSMVGVEZADGA-VHSXEESVSA-N	303.355	2.202	70	20	DEID	
CC[C@H](C)OCC(=O)Nc1ccc(C)c(S(=O)(=O)F)c1	857675069	AACCHBGLFHDIPD-JTQLQIEISA-N	303.355	2.407	70	20	DEID	
C[C@@H]1CCC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1121186914	VKBSTVQHJIOBNH-ZJUUUORDSA-N	302.371	2.372	70	20	DEID	
Cc1csc(NC(=O)c2cccc(S(=O)(=O)F)c2)n1	1336405151	BNBTYDNFCVRFAQ-UHFFFAOYSA-N	300.336	2.362	70	20	DEID	
CSC[C@@H](C)NC(=O)c1ccc(S(=O)(=O)F)cc1C	1349153596	YPEBCGLQXKFEDP-SECBINFHSA-N	305.396	2.135	70	20	DEID	
O=S(=O)(F)c1ccc(N2CCC[C@@H](OC3CCC3)C2)nc1	1550628427	INAJTMFKNDSLPL-GFCCVEGCSA-N	314.382	2.278	70	20	DEID	
Cc1ccc(NC(=O)[C@H]2CCCC[C@H]2N)cc1S(=O)(=O)F	1579720376	OALYUKAWFWWFNH-NWDGAFQWSA-N	314.382	2.109	70	20	DEID	
Cn1nccc1CNC[C@H]1CCCN(C(=O)OC(C)(C)C)C1	218238734	HIOUHDDUWRWZHE-CYBMUJFWSA-N	308.426	2.157	70	20	DEID	
Cc1ccnc2nc(C(=O)N[C@@H]3CCCc4sccc43)nn12	160015895	CAEQIVRKPRUHNC-LLVKDONJSA-N	313.386	2.302	70	20	DEID	
COC(=O)c1cc(CSCCCCS(C)(=O)=O)oc1C	160904977	ZDCKWJWIZUOWTF-UHFFFAOYSA-N	320.432	2.433	70	20	DEID	
COC(=O)c1ccc(CCC(=O)NCCCC(C)(C)CO)cc1	160346988	UFTUUMVVTJKTLE-UHFFFAOYSA-N	321.417	2.321	70	20	DEID	
CC(=O)N1CCC(C(=O)N[C@H]2CCOC3(CCCCC3)C2)CC1	160370256	ZDLBWICKECVTLZ-INIZCTEOSA-N	322.449	2.243	70	20	DEID	
COc1ccc(C(C)(C)C(=O)NCC(=O)OCC2CC2)cc1	160443027	GYPUPNVJBCWUFD-UHFFFAOYSA-N	305.374	2.042	70	20	DEID	
CC(C)OC1CCC(NC(=O)[C@@H](C(C)C)N2CCCC2=O)CC1	159497215	AZNKGCHQGNHVGP-VMBOVVBDSA-N	324.465	2.486	70	20	DEID	
CNC(=O)[C@H]1CCCN1C(=O)N[C@H](C)c1ccc(C)c(F)c1	159737901	OFNLRYYUTIXZPJ-BXUZGUMPSA-N	307.369	2.115	70	20	DEID	
CCN(CC)C(=O)[C@@H](C)Sc1nnc(-c2ccccn2)n1C	159545353	YRZOLFOGOKGQQM-LLVKDONJSA-N	319.434	2.226	70	20	DEID	
CC[C@@H]1CCCCCN1C(=O)c1nnn(C2CCNCC2)c1C	159371072	KCZQJVXCNZRZHN-CQSZACIVSA-N	319.453	2.306	70	20	DEID	
CN1CCC(NC(=O)NCCOc2ccccc2Cl)CC1	159567308	LGAXDOVMIHFGOS-UHFFFAOYSA-N	311.813	2.112	70	20	DEID	
CCn1cnnc1CNCc1ccccc1OC(F)(F)F	218232582	HYGVCVKXSVRZMN-UHFFFAOYSA-N	300.284	2.486	70	20	DEID	
CC(C)(C)OC(=O)N1CCSC[C@@H]1CC(=O)NC1CC1	160923243	PWPPCPBTVNJZMR-NSHDSACASA-N	300.424	2.008	70	20	DEID	
CCC(C)(C)OCC(=O)Nc1ccc(S(=O)(=O)F)cc1	460089432	FHVFTRMWBIURJA-UHFFFAOYSA-N	303.355	2.489	70	20	DEID	
O=C(O)c1ccc(C(=O)Nc2cccc(S(=O)(=O)F)c2)cc1	1595222051	QOVSPHRULDQKLY-UHFFFAOYSA-N	323.301	2.295	70	20	DEID	
COCCOc1cc(NC(=O)[C@]2(C)CCCNC2)ccc1OC	161377377	OASXXPCHAGQBLA-QGZVFWFLSA-N	322.405	2.049	70	20	DEID	
Cc1cc(C)n(-c2ccc(N[C@@H](CO)CC(C)(C)C)nn2)n1	161403040	CJIDPVGOAILLCY-CYBMUJFWSA-N	303.410	2.488	70	20	DEID	
CC(C)(C)c1nsc(N2CCCC[C@@H]2[C@H]2CNC(=O)C2)n1	160161255	SAUISQBUKWSIIN-GHMZBOCLSA-N	308.451	2.331	70	20	DEID	
CCCN1CCCN(C(=O)c2cc(C)nc3onc(C)c23)CC1	160356214	PFFFDDZWRQDJCQ-UHFFFAOYSA-N	316.405	2.398	70	20	DEID	
CC[C@@H](NC(=O)Nc1ccc(CC(=O)NC)cc1)[C@@H]1CCCO1	160497137	YTCUQGWUOQTSFX-CABCVRRESA-N	319.405	2.054	70	20	DEID	
Cc1c(CNC(=O)N[C@@H](C)Cc2ccccc2F)cnn1C	160508467	KHWJZQYDFPWPDN-NSHDSACASA-N	304.369	2.298	70	20	DEID	
Cc1c(CNC(=O)NCC(C)(C)N2CCC[C@@H](C)C2)cnn1C	160524306	VWSRLDKIZKQXCB-CYBMUJFWSA-N	321.469	2.038	70	20	DEID	
C[C@@H]1CN(C(=O)Nc2ccn(CC(F)(F)F)n2)CCS1	160633960	KBRUZTKJVFIHNV-MRVPVSSYSA-N	308.329	2.415	70	20	DEID	
C[C@@H]1CCN(C(=O)NCc2ccc(-n3cncn3)cc2)C[C@@H]1C	160655711	WXKYDRYGJZNTQZ-KGLIPLIRSA-N	313.405	2.455	70	20	DEID	
CCC(CC)N(CCOC)C(=O)N[C@@H]1CCN(CC2CC2)C1	160753955	IMXXXARRPJNOBP-OAHLLOKOSA-N	311.470	2.317	70	20	DEID	
COCC1CCN(C(=O)N[C@@H]2CCN(C3CCCC3)C2)CC1	160809042	UCWAJELQTUFCET-OAHLLOKOSA-N	309.454	2.071	70	20	DEID	
O=C(NC[C@@H](O)c1ccsc1)[C@@H]1CC(c2ccccc2)=NO1	159663662	FZEOQSNOUVPCRG-CABCVRRESA-N	316.382	2.091	70	20	DEID	
CCCN(C(=O)c1ccc(C(C)C)nc1)[C@@H]1CCS(=O)(=O)C1	159867969	KCEHHFIEMUHYFH-CQSZACIVSA-N	324.446	2.244	70	20	DEID	
O=C([C@@H]1CCCCN1)N1CCc2ccc(Br)cc21	159990946	DTDPBKMAZZIHDJ-LBPRGKRZSA-N	309.207	2.480	70	20	DEID	
COCCCCC(=O)Nc1ccc(C)c(S(=O)(=O)F)c1	857675512	PXAWTIGEPDPCOB-UHFFFAOYSA-N	303.355	2.408	70	20	DEID	
O=C(CSC1CC1)Nc1ccc(S(=O)(=O)F)c(F)c1	857672802	JWXHQDWWBDVJDT-UHFFFAOYSA-N	307.343	2.318	70	20	DEID	
CC(C)OCCCN(C)C(=O)c1cccc(S(=O)(=O)F)c1	1338067517	HXSVVPUTBNSRJD-UHFFFAOYSA-N	317.382	2.232	70	20	DEID	
CN(c1ccccc1NC(=O)C[C@H]1C=CCC1)S(C)(=O)=O	161421879	UPYSOZFMCJQQQV-LBPRGKRZSA-N	308.403	2.377	70	20	DEID	
CC1CCN(CCCNC(=O)N[C@H](CCO)C(C)(C)C)CC1	161468325	OEJPFICDTUCIHY-OAHLLOKOSA-N	313.486	2.205	70	20	DEID	
Cc1cc(C(=O)Nc2ncnn2C)c(C)cc1Br	160215461	KUCAXAIZWPSMNC-UHFFFAOYSA-N	309.167	2.447	70	20	DEID	
C[C@H]1CN(CC2CCN(CCOCC3CC3)CC2)C[C@@H](C)O1	160289490	XVQZIQJGHNQEGO-IYBDPMFKSA-N	310.482	2.234	70	20	DEID	
COc1cccc(CC(=O)NC[C@H]2CCCN2CC(C)C)c1	160394903	MPNLCTIUSISJSU-MRXNPFEDSA-N	304.434	2.474	70	20	DEID	
C[C@H](NC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)[C@H]1CN(C)CCO1	160552967	YDEIEKCBZXPBBF-FIDHJVLJSA-N	308.466	2.428	70	20	DEID	
CCO[C@H]1C[C@@H](N(C)C(=O)NCCCn2cccn2)C12CCC2	160932986	CNTUOLAMKZXVGQ-CABCVRRESA-N	320.437	2.262	70	20	DEID	
C[C@H](C(=O)N1CCC[C@@H](N2CCCC2=O)C1)c1cccs1	159808537	CSQFEQKSDGSJII-QWHCGFSZSA-N	306.431	2.465	70	20	DEID	
O=C(Nc1cnn(CC(F)(F)F)c1)[C@@H]1NCCc2ccccc21	159702785	LJNLNZBQWKRAKO-CYBMUJFWSA-N	324.306	2.271	70	20	DEID	
COC(=O)c1ccc(NC(=O)N(C)CC2(O)CCCC2)cc1	159977354	QQLORLFMQIKBCZ-UHFFFAOYSA-N	306.362	2.242	70	20	DEID	
C[C@H]1CCCC[C@@H]1C(=O)Nc1cncc(OS(=O)(=O)F)c1	2088595707	AIUNOTXEQXDHFX-CABZTGNLSA-N	316.354	2.440	70	20	DEID	
O=C(Nc1ccc(F)c(F)c1)c1cc(S(=O)(=O)F)c[nH]1	1515238115	ZUWCPFWUQPESSF-UHFFFAOYSA-N	304.249	2.203	70	20	DEID	
CCc1n[nH]c(-c2ccccc2NC(=O)[C@@H]2CCCOC2)n1	161010705	HAOGDDYTYHYWME-LLVKDONJSA-N	300.362	2.399	70	20	DEID	
CCC(CC)n1ncc(C(=O)NCCCC(=O)N(C)C)c1C	161025612	FBPLQSNGVWPJQD-UHFFFAOYSA-N	308.426	2.151	70	20	DEID	
CCOCCO[C@H]1CCN(C(=O)NCCc2ccc(C)cc2)C1	160004752	YKUMPBVMXBEYOV-KRWDZBQOSA-N	320.433	2.375	70	20	DEID	
Cc1conc1NC(=O)C(=O)N[C@@H](C)c1ccc(F)cc1F	160031059	HPWZNZUHZWSLFB-QMMMGPOBSA-N	309.272	2.077	70	20	DEID	
O=C(NC[C@@H](O)CN1CCCCC1)c1cc2cccc(F)c2o1	160137304	KUCBLOYCJWHFHN-CYBMUJFWSA-N	320.364	2.149	70	20	DEID	
CCN(CC)CCC[C@H](C)NC(=O)[C@H]1CCn2ccnc2C1	160225905	MXVHKLSKNFDVLP-GJZGRUSLSA-N	306.454	2.072	70	20	DEID	
CSC[C@](C)(O)CNC(=O)N[C@H]1CCC[C@H](SC)C1	160277806	BOGTUCMSZJXAQX-GMXVVIOVSA-N	306.497	2.074	70	20	DEID	
COC(=O)CCCC(=O)Nc1ccccc1-n1nccc1C	160464098	NBROTSGXYTUFIH-UHFFFAOYSA-N	301.346	2.463	70	20	DEID	
CCc1cc(C)c(C(=O)N(C2CC2)[C@H](C)CS(C)(=O)=O)o1	160620196	ROMJJWGADKNVJA-LLVKDONJSA-N	313.419	2.188	70	20	DEID	
COCC(=O)N1CCC(NCc2cc(F)cc(Cl)c2)CC1	160886206	MDMMACKJJQXRJE-UHFFFAOYSA-N	314.788	2.206	70	20	DEID	
Cc1nc(C)c(CCNC(=O)N(C)Cc2cccn2C)s1	159809309	IEOQGTPFTKDKIC-UHFFFAOYSA-N	306.435	2.483	70	20	DEID	
CC(C)(C)S(=O)(=O)CC(=O)Nc1cc(Cl)ccc1O	159413233	OCYUCZZDRQAEPF-UHFFFAOYSA-N	305.783	2.197	70	20	DEID	
O=C(Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1)[C@@H]1CCCCN1	159420708	XGDNSKQKDFBURG-ULQDDVLXSA-N	318.417	2.450	70	20	DEID	
CCNC(=O)C(C)(C)CNC(=O)Nc1cnc(Cl)cc1C	159482380	VPDHRYHEHFFSCF-UHFFFAOYSA-N	312.801	2.327	70	20	DEID	
CN(CCCO)C1CCN(c2nc(C(C)(C)C)ns2)CC1	159509271	CMDTUNOKDNVYJH-UHFFFAOYSA-N	312.483	2.119	70	20	DEID	
CCc1cc(N(CC)CCC(=O)OC)nc(-c2ccncc2)n1	159585104	KUTGCAUYISZANZ-UHFFFAOYSA-N	314.389	2.490	70	20	DEID	
CC(C)(Cc1ccccc1)C(=O)NC[C@@H](O)CN1CCCCC1	159988505	YGKPEXDTFBBDQO-QGZVFWFLSA-N	318.461	2.218	70	20	DEID	
N[C@H]1CCC[C@@H](NC(=O)CSc2ccc(F)c(F)c2)C1	160926152	JUSVAQAPDQJZIE-VHSXEESVSA-N	300.374	2.443	70	20	DEID	
CC[C@@H](C)[C@H](OC)C(=O)Nc1cccc(S(=O)(=O)F)c1	460088053	BWLFLGORZQETDK-SKDRFNHKSA-N	303.355	2.344	70	20	DEID	
CN(CCOC(C)(C)C)C(=O)c1cccc(S(=O)(=O)F)c1	1348720928	XYVUIABOWOBOBF-UHFFFAOYSA-N	317.382	2.232	70	20	DEID	
CC(C)CSCCCNC(=O)[C@@H](C)OC[C@H]1CCCO1	160717271	CWIPDVRVEFETRC-ZIAGYGMSSA-N	303.468	2.466	70	20	DEID	
COC(=O)c1csc(NC(=O)NCC2(O)CCCCC2)c1	161065950	RHYVXJQKQNXPIC-UHFFFAOYSA-N	312.391	2.351	70	20	DEID	
COc1ccc(CC[C@@H](C)NC(=O)c2cccc(=O)n2C)cc1	161390279	RVGSHJBRYRNOSJ-CYBMUJFWSA-N	314.385	2.145	70	20	DEID	
CCCn1nccc1CNC[C@H]1CCN(CC(F)(F)F)C1	160089738	IIONRLNQVMHOCP-GFCCVEGCSA-N	304.360	2.267	70	20	DEID	
CCc1n[nH]c(=O)c(CNC(=O)N(C)[C@@H](C)C2(C)CC2)c1CC	160432888	VJOYQCYWJACIGQ-NSHDSACASA-N	320.437	2.225	70	20	DEID	
CCOC(=O)c1cnc(SC[C@@H]2CCC(C)(C)O2)nc1N	160460750	QWXRMNQCUPFBIT-VIFPVBQESA-N	311.407	2.285	70	20	DEID	
CCC[C@@](C)(CO)NC(=O)Nc1cc(C(=O)OC)cs1	160631300	WVTOGYACEUWUEL-ZDUSSCGKSA-N	300.380	2.207	70	20	DEID	
CCN(CC)C(=O)[C@@H](C)ONC(=O)CCCc1ccccc1	160771205	VLHPXMZSPYSQBR-CQSZACIVSA-N	306.406	2.314	70	20	DEID	
COc1ccc(C(=O)CCC(=O)N[C@@H]2CCC[C@H](N)C2)cc1	160885624	FHTFQZYSENXADD-UONOGXRCSA-N	304.390	2.044	70	20	DEID	
COCCOC[C@@H]1CCN(C(=O)C[C@@H](C)c2ccncc2)C1	160895901	RGBGVFLMOYELGT-HUUCEWRRSA-N	306.406	2.087	70	20	DEID	
Cn1c(C(=O)N[C@@H]2CCOc3c(Cl)cccc32)cccc1=O	160936142	UMEJYMWHAOZCFW-GFCCVEGCSA-N	318.760	2.292	70	20	DEID	
COc1cccnc1N(C)S(=O)(=O)c1ccc(C(C)=O)cc1	159540412	CQOMDQCHNTUGPJ-UHFFFAOYSA-N	320.370	2.118	70	20	DEID	
O=C(Cn1nc(-c2ccccc2)ccc1=O)NCC1(C2CC2)CC1	159778009	JZZOIZCXLKFTQL-UHFFFAOYSA-N	323.396	2.217	70	20	DEID	
CCOC(=O)N1CCN(C(=O)NCCC2CCCCC2)CC1	217305249	SLRARDSREKTWCC-UHFFFAOYSA-N	311.426	2.441	70	20	DEID	
CO[C@H]1CCC[C@@H]1C(=O)Nc1cccc(S(=O)(=O)F)c1	1121101844	BZVCYFKJUHKSTF-RYUDHWBXSA-N	301.339	2.098	70	20	DEID	
CC1(C)CCCC[C@@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1120944096	GJMGOLNRPJYUFM-NSHDSACASA-N	302.371	2.372	70	20	DEID	
Cc1cccc(N(C)C(=O)c2cccc(S(=O)(=O)F)c2)n1	1340082233	QLAXUQXQYGSSTK-UHFFFAOYSA-N	308.334	2.325	70	20	DEID	
CCS(=O)(=O)c1cc(S(=O)(=O)Cl)ccc1Cl	100651897	IHAIRACGEFCZAE-UHFFFAOYSA-N	303.188	2.061	70	20	DEID	
CCCC(=O)N1CCC[C@H](C(=O)Nc2ccc(OC)c(N)c2)C1	161277052	CLJAYIAVBRBLPI-LBPRGKRZSA-N	319.405	2.255	70	20	DEID	
CC(C)C(=O)NCCN(C)C(=O)Nc1cc(F)c(F)c(F)c1	161492973	SUCUDEBEPBXUDS-UHFFFAOYSA-N	317.311	2.340	70	20	DEID	
CNC(=O)Nc1cccc(NC(=O)c2c(C)ccnc2O)c1	160051456	GTHBTOALMYLYHG-UHFFFAOYSA-N	300.318	2.099	70	20	DEID	
COC(=O)c1ccc(NC[C@](C)(O)c2ccccc2Cl)nn1	160200241	SFKPDQOLEVRTCM-HNNXBMFYSA-N	321.764	2.236	70	20	DEID	
O=C1CCCC[C@@H]1[C@H]1COCCN1C(=O)c1ccnc(Cl)c1	160618485	RGAIGHIYWTYUAJ-CHWSQXEVSA-N	322.792	2.335	70	20	DEID	
O=C(NCCCOc1ccccc1)c1cccc(-n2ccnn2)c1	160852565	MSRGYQNHDZWPMX-UHFFFAOYSA-N	322.368	2.466	70	20	DEID	
CCN1CCCN(C(=O)NC[C@@H](C)Oc2ccccc2)CC1	159860458	SXDBLSBDULXSRL-OAHLLOKOSA-N	305.422	2.191	70	20	DEID	
CCC(=O)c1cccc(NC(=O)NCC(C)(C)C(=O)NC)c1	159519551	QEXIOYBWRSDAPN-UHFFFAOYSA-N	305.378	2.173	70	20	DEID	
CCCC(=O)NC[C@H]1CCCN(Cc2cnc3ccccn23)C1	159542692	IWKMRTDGFGLLCC-OAHLLOKOSA-N	314.433	2.463	70	20	DEID	
O=S(=O)(OCC(F)(F)Sc1cnccn1)C(F)(F)F	1330274099	HIDLEDSGYFYNSE-UHFFFAOYSA-N	324.252	2.028	70	20	DEID	
O=C(O)c1ccc(NC(=O)c2ccc(S(=O)(=O)F)cc2)cc1	1602378855	MOZSDSXKRUINEG-UHFFFAOYSA-N	323.301	2.295	70	20	DEID	
N[C@@H]1CCC[C@@H](NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)C1	161112977	VHGDUMCEVOTSGE-CHWSQXEVSA-N	302.353	2.216	70	20	DEID	
O=C1C[C@@H](CC(=O)N2CC[C@@H](Oc3ccccc3Cl)C2)CO1	161422490	JTSQQANYZCAGPD-VXGBXAGGSA-N	323.776	2.273	70	20	DEID	
N[C@H]1CCC[C@@H](NC(=O)c2ccn(-c3ccccc3F)n2)C1	161505061	ODIGQQVCECGFLV-NWDGAFQWSA-N	302.353	2.011	70	20	DEID	
CCc1nn(C)c2[nH]nc(NC(=O)c3cccn3C(C)C)c12	160110813	JUNRLIHMZNYDCP-UHFFFAOYSA-N	300.366	2.494	70	20	DEID	
CCCCOC(=O)[C@H](C)N(CCC(N)=O)c1cccc(C)c1	160211952	VYRRMZZSBNOOBO-AWEZNQCLSA-N	306.406	2.409	70	20	DEID	
C[C@H](CNC(=O)Cc1c[nH]c2cc(F)ccc12)Cn1cccn1	160325847	ICDPYXHMHQCGJL-GFCCVEGCSA-N	314.364	2.499	70	20	DEID	
COCC[C@H](C)NC(=O)Nc1ccc(O[C@H]2CCOC2)cc1	160396284	JNQNASNDYHZKSX-WFASDCNBSA-N	308.378	2.401	70	20	DEID	
Cn1cc(NC(=O)c2ccc([S@](C)=O)cc2)cc(Cl)c1=O	160496232	ZMLJBTRJCVARPT-OAQYLSRUSA-N	324.789	2.028	70	20	DEID	
CC[C@@H](C)OCC(=O)Nc1nnc(-c2ccccc2OC)[nH]1	160539847	GQCIMPQXHHKOTH-SNVBAGLBSA-N	304.350	2.234	70	20	DEID	
CCN(CC(=O)Nc1cccc(OC)c1)Cc1cnn(CC)c1	160644104	CZSRGKXNPKIIFW-UHFFFAOYSA-N	316.405	2.372	70	20	DEID	
CCCC1(CNC(=O)[C@H]2CSCN2C(=O)C2CCC2)CC1	160700429	XMIVGKQAYINHJG-CYBMUJFWSA-N	310.463	2.385	70	20	DEID	
CC[C@@H]1CN(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)CCO1	160735176	IGMBTZKNMOBCHR-CQSZACIVSA-N	315.377	2.125	70	20	DEID	
Cc1nc(CN2CCC(C(=O)NC3CC=CC3)CC2)cs1	160768960	IPKBHNJJMLDSHV-UHFFFAOYSA-N	305.447	2.498	70	20	DEID	
O=C(CCCNC(=O)c1cccnc1)NCc1cccc(F)c1	160949279	LPLXEIKGXSYGGX-UHFFFAOYSA-N	315.348	2.047	70	20	DEID	
CCn1cnnc1[C@H]1CCCN(Cc2cnc3ccccn23)C1	159441057	GZUGKIKAFBSIIV-AWEZNQCLSA-N	310.405	2.325	70	20	DEID	
O=C(CNC[C@@H]1CCCO1)N[C@H]1CCC[C@@H]1Cc1ccccc1	159447662	LJALSEIQRHEYBB-SQNIBIBYSA-N	316.445	2.283	70	20	DEID	
COc1ccc2c(c1)C=C(C(=O)Nc1c[nH]c(=O)c(C)c1)CO2	159487007	GKCMSVYQOPMCJR-UHFFFAOYSA-N	312.325	2.106	70	20	DEID	
COC(=O)CCCNC(=O)Cc1cccc(OC(F)(F)F)c1	159928893	IXNHBHXTYVVWOX-UHFFFAOYSA-N	319.279	2.197	70	20	DEID	
Cc1ccc(NC(=O)[C@@H]2CCO[C@@H](C)C2)cc1S(=O)(=O)F	857675206	GDWMZGNLRWHATF-WDEREUQCSA-N	315.366	2.407	70	20	DEID	
CCOC(=O)NCCCC(=O)Nc1nnc(C(C)C)s1	160363197	OVDKOQRSTCNTHN-UHFFFAOYSA-N	300.384	2.126	70	20	DEID	
CCS(=O)(=O)CCN(C)C(=O)NC1CC(c2ccccc2)C1	161015745	IUXZULQAMPYGLI-UHFFFAOYSA-N	324.446	2.009	70	20	DEID	
COCCOCCNC(=O)C[C@H](C)c1ccc(F)cc1F	161222409	HIKGNCZJUZTIHS-NSHDSACASA-N	301.333	2.238	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)[C@H](CC)Oc1ccccc1F	160031690	LRWYCBGYQWNVBV-YPMHNXCESA-N	311.353	2.441	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)c1c(F)c(F)cc(F)c1F	160207724	UPMZDQWZUOJNRO-LURJTMIESA-N	307.243	2.315	70	20	DEID	
CCOCc1ccc(CNC(=O)N2CCC[C@](C)(O)C2)cc1	160273346	ZQVQEWFYECWDEV-KRWDZBQOSA-N	306.406	2.280	70	20	DEID	
CNS(=O)(=O)c1cccc(CNC(=O)[C@@H]2CCC[C@@H](C)C2)c1	160342724	GCQONGPUFLOEPD-TZMCWYRMSA-N	324.446	2.037	70	20	DEID	
CC(C)c1nc(N[C@H]2CCO[C@H](C3CC3)C2)nc(N(C)C)n1	160405970	ADAMCZIAXUTTKK-STQMWFEESA-N	305.426	2.431	70	20	DEID	
COCCOc1ccc(CNC(=O)N[C@@H]2CCC[C@H]2OC)cc1	160432210	BJKRWUPMSRFYNT-HZPDHXFCSA-N	322.405	2.079	70	20	DEID	
CCC(N)(CC)CNC(=O)c1ccccc1OC[C@H]1CCCO1	160545945	NIVYVSZJJSWJRJ-CQSZACIVSA-N	320.433	2.492	70	20	DEID	
O=C1CC[C@H]2CN(C(=O)c3cccc(Cl)c3F)CC[C@H]2N1	160558165	IQNJYKAEIGEWTE-JOYOIKCWSA-N	310.756	2.220	70	20	DEID	
O=C(NCC1(C2CC2)CC1)N[C@H]1CCN(C2CCCCC2)C1=O	160656028	TYFBANFMTXSTRR-HNNXBMFYSA-N	319.449	2.409	70	20	DEID	
C[C@H](CC(=O)N[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(F)cc1F	160665330	VZQSATLWPSSGKN-ZYHUDNBSSA-N	322.355	2.338	70	20	DEID	
CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)C2CC=CC2)nc1	160922307	CVBWKPLOFZWDHB-UHFFFAOYSA-N	323.418	2.063	70	20	DEID	
COc1cc(CCC(=O)Nc2c[nH]c(=O)c(C)c2)cc(OC)c1	159609264	NWNLJAOBVRCSDD-UHFFFAOYSA-N	316.357	2.272	70	20	DEID	
O=C(NCCc1cscn1)N1CCC[C@H]1CN1CCCCC1	159468940	FXTORJLKZTXJBV-HNNXBMFYSA-N	322.478	2.346	70	20	DEID	
CSCC[C@@H](CO)NC(=O)COc1ccc(Cl)cc1C	159899090	YERJHGKAKHARGD-LBPRGKRZSA-N	317.838	2.257	70	20	DEID	
Cc1conc1NC(=O)C(=O)N[C@@H](C)CCc1ccccc1	159938712	NMZLGWCOTMSPPE-LBPRGKRZSA-N	301.346	2.059	70	20	DEID	
CSC[C@](C)(O)CNC(=O)CCOc1c(C)cccc1C	217671749	BHIZEMKPPSQWHL-MRXNPFEDSA-N	311.447	2.303	70	20	DEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCc2cc(F)ccc21	1348404267	DEDKHDMRUNZELS-UHFFFAOYSA-N	312.297	2.015	70	20	DEID	
C[C@@H]1CC2(CCOCC2)CN1c1ccc(S(=O)(=O)F)cn1	1550626929	FINFLLZMVOTTBU-LLVKDONJSA-N	314.382	2.135	70	20	DEID	
COc1cc(F)cc(CNC(=O)c2cnc3c(c2)ncn3C)c1	161073241	IAPZDKSDPSRFTP-UHFFFAOYSA-N	314.320	2.046	70	20	DEID	
COc1cccc2c1CC[C@@H]2NC(=O)Nc1cccn(C)c1=O	161137815	QTUXBKHBJXRQTE-ZDUSSCGKSA-N	313.357	2.203	70	20	DEID	
CCC[C@H](C)N1C[C@H](C(=O)Nc2ccc(OC)c(N)c2)CC1=O	161240930	AAHIVVSFQJRIMR-NWDGAFQWSA-N	319.405	2.253	70	20	DEID	
Cc1ncc(/C=C/C(=O)N[C@H]2CCN(c3ccccn3)C2)s1	161316773	WMYQTCOLXJBMTM-GFUIURDCSA-N	314.414	2.255	70	20	DEID	
Cc1cc(NS(=O)(=O)c2ccc(F)c3ncccc23)nn1C	161508489	JOXMOMQOHCGCAG-UHFFFAOYSA-N	320.349	2.217	70	20	DEID	
CC(C)NC(=O)CCNC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F	160027897	LWIWFNXXGJQWSN-NWDGAFQWSA-N	310.344	2.099	70	20	DEID	
CC(=O)N(C)CC(=O)N[C@@H](c1cccc(C)c1)c1ccccn1	160041338	XYISMEGWIUZAHU-SFHVURJKSA-N	311.385	2.074	70	20	DEID	
CCn1nnnc1-c1cccc(NC(=O)NOCC(C)C)c1	160458276	TUAJHDLDEOKAJB-UHFFFAOYSA-N	304.354	2.069	70	20	DEID	
CC(C)[C@@H](CCO)NC(=O)CCc1nnc(-c2ccsc2)o1	160460050	WXRUSQNGEOZAPM-GFCCVEGCSA-N	323.418	2.254	70	20	DEID	
C[C@@H](NCC(=O)NCC(F)(F)F)c1ccc(F)cc1N(C)C	160600193	WABPXLPCUPQZKR-SECBINFHSA-N	321.318	2.221	70	20	DEID	
CC(C)[C@H](CCO)NC(=O)c1cccnc1N1CCCCC1	160628267	GCLJGPVVQAAFJB-HNNXBMFYSA-N	305.422	2.209	70	20	DEID	
O=C1CCCC[C@H]1[C@H]1COCCN1C(=O)/C=C/c1ccco1	160642325	BHPZBFFMVHOHRR-MHKRFPNSSA-N	303.358	2.280	70	20	DEID	
CCC(CC)(CO)CNC(=O)Nc1cccc(C(=O)OC)c1	160743257	HVOZDRJAQITHBB-UHFFFAOYSA-N	308.378	2.393	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)c1cccnc1N1CCCCC1	160869449	NELUHZPLJJYINI-ZDUSSCGKSA-N	319.405	2.143	70	20	DEID	
Cc1ccc(C(=O)N[C@H]2CCOC3(CCCCC3)C2)c(=O)[nH]1	160899148	RKBVBRNAOXZHFF-ZDUSSCGKSA-N	304.390	2.295	70	20	DEID	
COc1cc(C(=O)NCc2ccccc2F)cc(OC)c1O	160924610	IIHPZKVTUQLIEV-UHFFFAOYSA-N	305.305	2.479	70	20	DEID	
CCN1CCCN(C(=O)NCCCN2C[C@@H](C)C[C@H](C)C2)CC1	159626751	NHQQLOZUXCCABH-IRXDYDNUSA-N	324.513	2.092	70	20	DEID	
Cc1nc(CC(=O)N2CCC[C@H](NC(=O)C(C)C)C2)c(C)s1	159628451	HEIWAIYXQOTBDF-ZDUSSCGKSA-N	323.462	2.066	70	20	DEID	
Cc1noc(NC(=O)c2cc(C)n(-c3ccc(F)cc3F)n2)n1	159890614	OOLMSEOCBYAXAZ-UHFFFAOYSA-N	319.271	2.403	70	20	DEID	
CCCCn1ncc(NC(=O)N[C@H](C)[C@H](CO)SC)c1C	159950240	WTAJIZPSWMZTLI-MFKMUULPSA-N	314.455	2.226	70	20	DEID	
CC[C@@H](NC(=O)c1cccc(S(=O)(=O)F)c1)[C@@H]1CCCO1	1348708033	VDOPAIJVHWTRQQ-OLZOCXBDSA-N	315.366	2.032	70	20	DEID	
Cc1noc([C@H]2COCCN2Cc2ccc3ncccc3c2)n1	161131325	CFSSOFQRPLHEHE-MRXNPFEDSA-N	310.357	2.500	70	20	DEID	
CC(C)(C)NC(=O)CNC(=O)CNc1ccc(C(C)(C)C)cc1	161176012	OJQHQVWTKYOKCT-UHFFFAOYSA-N	319.449	2.427	70	20	DEID	
CC1CCN(C2CCC(NC(=O)c3cnccn3)CC2)CC1	161486942	DXSVXYDSENPZQB-UHFFFAOYSA-N	302.422	2.250	70	20	DEID	
CNS(=O)(=O)c1cccc(CNC(=O)[C@@H]2CCC[C@H](C)C2)c1	160342855	GCQONGPUFLOEPD-GXTWGEPZSA-N	324.446	2.037	70	20	DEID	
CC[C@@](C)(CCO)NC(=O)NCCOCc1cccc(OC)c1	160590631	FVJDBLFDRGLPGW-KRWDZBQOSA-N	324.421	2.062	70	20	DEID	
CCCn1c(C)nnc1CN(C)Cc1ccc([S@@](C)=O)cc1	160690996	YPHVANDOZQWMEJ-QFIPXVFZSA-N	320.462	2.366	70	20	DEID	
COC(=O)CN(C(=O)c1cc(-c2ccco2)on1)C1CCCC1	160838547	NUAFUZUTJZTWCM-UHFFFAOYSA-N	318.329	2.492	70	20	DEID	
Cc1cc(C)c(CN2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1C	160958696	NJNYNRBEPXCFMC-SFHVURJKSA-N	316.445	2.435	70	20	DEID	
CC(C)(O)CNS(=O)(=O)c1ccccc1-c1ccccc1	160989087	UHNBMHJRWUIHJJ-UHFFFAOYSA-N	305.399	2.403	70	20	DEID	
CC(=O)Nc1cccc(NC(=O)CN(C)[C@@H]2CCSC2)c1C	159717947	PMBVIKVIJGSVFC-CYBMUJFWSA-N	321.446	2.329	70	20	DEID	
CCOc1ccccc1N(C)C[C@H](O)COC1CCOCC1	159387098	RTZZDPVQXCPDRL-AWEZNQCLSA-N	309.406	2.078	70	20	DEID	
NC(=O)c1cccc(CCNC(=O)c2cncc3ccccc23)c1	216630374	OOLYZAWFEOMFGB-UHFFFAOYSA-N	319.364	2.306	70	20	DEID	
CSCC(C)(C)NC(=O)c1ccc(S(=O)(=O)F)cc1	1518651237	RLSSEWQHGJHCTE-UHFFFAOYSA-N	305.396	2.216	70	20	DEID	
O=S(=O)(F)c1ccc(N[C@H](C2CC2)[C@H]2CCCOC2)nc1	1551194032	JDWRGSNRHFBALG-SMDDNHRTSA-N	314.382	2.357	70	20	DEID	
CCNCC1CCN(C(=O)[C@H](c2ccccc2)N(C)C)CC1	161068328	GDTKFPJDAZVPLM-KRWDZBQOSA-N	303.450	2.137	70	20	DEID	
CS[C@@H](C)CC(=O)Nc1ccc(C)c(NS(C)(=O)=O)c1	161180037	OVCJZAPZRGQCFD-JTQLQIEISA-N	316.448	2.447	70	20	DEID	
CCCN(CCC)C(=O)CN1CCC([C@H](O)C(F)(F)F)CC1	161494083	XVLRXOXUDFEDFG-AWEZNQCLSA-N	324.387	2.270	70	20	DEID	
CC(C)COC(=O)N1CCN(C(=O)Nc2ccccn2)CC1	160025551	LTPLAARFRPGOKS-UHFFFAOYSA-N	306.366	2.024	70	20	DEID	
Cc1cc(Cl)ccc1C(=O)N1CSC[C@@H]1C(=O)N(C)C	160035252	PWKSPKBBQILFPA-GFCCVEGCSA-N	312.822	2.252	70	20	DEID	
O=C(C[C@H]1COC(=O)C1)NCc1ccc(C(F)(F)F)cc1	160121440	ACGLSMHILAWCJG-SNVBAGLBSA-N	301.264	2.275	70	20	DEID	
CCC(O)(CC)CNS(=O)(=O)c1cc(C)c(F)cc1F	160216049	MRRAWMHQBQPNQD-UHFFFAOYSA-N	307.362	2.103	70	20	DEID	
Cc1ccccc1[C@@H]1CN(C(=O)CNCC2CC2)[C@H](C)CO1	160410847	RNVHMGOWSRKENT-PBHICJAKSA-N	302.418	2.283	70	20	DEID	
CCO[C@@H]1C[C@H](NC(=O)[C@H]2NCCc3ccccc32)C12CCC2	160997897	AWAKOQNJVZOJTB-BBWFWOEESA-N	314.429	2.337	70	20	DEID	
COc1ccc(C)cc1NC(=O)N[C@@H]1CC(=O)N(C(C)C)C1	217288279	DPGMCVNCQJKIGZ-GFCCVEGCSA-N	305.378	2.134	70	20	DEID	
CCO[C@@H](C(=O)Nc1cccc(S(=O)(=O)F)c1)C1CC1	460096929	VEWOATPARBKBAV-GFCCVEGCSA-N	301.339	2.098	70	20	DEID	
CC(=O)[C@H](C)CCOC(=O)c1ccc(S(=O)(=O)F)cc1	849794941	WMIPSSXURAXFLV-SECBINFHSA-N	302.323	2.117	70	20	DEID	
Cc1ccc(NC(=O)CCOC(C)C)cc1S(=O)(=O)F	857675693	XXRXVQPFIYMCML-UHFFFAOYSA-N	303.355	2.407	70	20	DEID	
CCC(CC)[C@@H](O)CNC(=O)Nc1cc(C(=O)OC)cs1	161013216	NWWFDICPEKYTCI-NSHDSACASA-N	314.407	2.453	70	20	DEID	
C[C@H](NC(=O)NCc1cccc(N(C)C)n1)c1cccc(O)c1	161196910	DZLYCFZYKODJNZ-LBPRGKRZSA-N	314.389	2.414	70	20	DEID	
CNC(=O)NC(=O)CNC(C)(C)c1ccc(Cl)c(Cl)c1	161450482	JOSDBIYKVOXNFR-UHFFFAOYSA-N	318.204	2.274	70	20	DEID	
CC(C)(C)c1cccc(OCCNC(=O)[C@H]2CSCN2)c1	160107917	VYPURWYLYLPPMD-CQSZACIVSA-N	308.447	2.142	70	20	DEID	
COc1ccc(N(C)C(=O)[C@H]2CCN(C)C(=O)C2)cc1Cl	160226671	PCZWHQAJQKYTML-JTQLQIEISA-N	310.781	2.180	70	20	DEID	
CCc1oc(C(=O)N2CCN(Cc3cc(C)no3)CC2)cc1C	160239451	QGIQPOHLWUNQAE-UHFFFAOYSA-N	317.389	2.405	70	20	DEID	
CCOc1ccccc1OCCCC(=O)N1CCC[C@H]1CN	160378060	GLUAKNMSODLOFC-AWEZNQCLSA-N	306.406	2.194	70	20	DEID	
Cc1cc(C)c(C(=O)N2CCOC[C@@H]2[C@@H]2CCCCC2=O)o1	160388820	ZBLDOKIVIJBVRN-UONOGXRCSA-N	305.374	2.497	70	20	DEID	
CN(CCN(C)c1ccccc1)C(=O)c1cnc2c(c1)ncn2C	160429031	ONIUGCCXKNXXRR-UHFFFAOYSA-N	323.400	2.177	70	20	DEID	
CNC(=O)c1cccc(NC(=O)N(C)[C@@H]2CCSC2)c1C	160489270	BTJPRNLWSKLDIF-LLVKDONJSA-N	307.419	2.324	70	20	DEID	
CC(C)CC(=O)NCCC(=O)NCCO[C@@H]1CCCC[C@@H]1C	160646476	RFSICQUOPICURJ-LSDHHAIUSA-N	312.454	2.250	70	20	DEID	
COC[C@@H](O)CCNC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C	160905166	SHVZQVOSWWVOJB-GJZGRUSLSA-N	323.433	2.399	70	20	DEID	
CCNC(=O)C(C)(C)CNC(=O)C[C@H](C)c1c(C)noc1C	160976444	YQAXKFKVQOOVCA-JTQLQIEISA-N	309.410	2.064	70	20	DEID	
CC[C@@H](C)[C@H](O)CNC(=O)c1cc(OC)c(OC)cc1Cl	159400799	FXCIASWJRYALNY-BXKDBHETSA-N	315.797	2.494	70	20	DEID	
Cc1noc(C)c1[C@H](C)CNC(=O)NC[C@H]1CCCN(C)C1	159801736	RRMJAIMETUBKJV-BXUZGUMPSA-N	308.426	2.036	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)Nc1ccn(CCC(C)C)n1	159659346	NYCULHVEIIVUMF-GFCCVEGCSA-N	310.398	2.392	70	20	DEID	
COc1ccc(CCC(=O)N[C@@H]2CCN(C(C)=O)C2)cc1Cl	159705199	ARARKHXBCQIBAL-CYBMUJFWSA-N	324.808	2.018	70	20	DEID	
CCOc1cc(Cl)ccc1CNS(=O)(=O)[C@@H](C)COC	159989702	UWZNNBHUWDBNSK-JTQLQIEISA-N	321.826	2.193	70	20	DEID	
Cc1ccc(NC(=O)[C@@H](F)C(F)(F)F)cc1S(=O)(=O)F	857675370	LJHGPHGKEGTEPJ-MRVPVSSYSA-N	317.235	2.492	70	20	DEID	
CSSCCNC(=O)Cc1ccc(S(=O)(=O)F)cc1	1339033823	HGCLMEPHUCGEMN-UHFFFAOYSA-N	323.436	2.015	70	20	DEID	
C[C@H]1[C@H](C)CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1517958762	ZLLBERHRKNZOGB-VWYCJHECSA-N	316.398	2.475	70	20	DEID	
CSC[C@@](C)(O)CNC(=O)c1nc(C(C)C)ncc1Cl	217659126	JOXUWFMDEIFLBZ-ZDUSSCGKSA-N	317.842	2.097	70	20	DEID	
Cc1conc1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1	161114086	KGJVCLJAEKFRQH-NWDGAFQWSA-N	319.748	2.247	70	20	DEID	
Cc1conc1NC(=O)C(=O)N[C@H]1CCC[C@H]1c1ccccc1	161161089	OKYDKMORUSXVMY-KBPBESRZSA-N	313.357	2.374	70	20	DEID	
CNC[C@@H]1CCCN1C(=O)c1cc(Br)cs1	161166354	DPYIIGHKTFBTGE-VIFPVBQESA-N	303.225	2.335	70	20	DEID	
COC(=O)c1[nH]c(C)cc1NC(=O)N(C)CC1CCOCC1	161351321	XPSLCJHBBBZPKS-UHFFFAOYSA-N	309.366	2.000	70	20	DEID	
C[C@H](NC(=O)[C@@H]1CCCCO1)c1ccc(-n2cncn2)cc1	160151970	UMHMCHQZNKZFHT-WFASDCNBSA-N	300.362	2.014	70	20	DEID	
OCC1(CNC[C@@H](O)COc2ccccc2Cl)CCCC1	160156740	AJFANTQGIKYZOG-CYBMUJFWSA-N	313.825	2.222	70	20	DEID	
CC(C)(CCC(=O)NC[C@H]1CCCS1(=O)=O)c1ccccc1	160164001	UGABUENXYFIHGH-OAHLLOKOSA-N	323.458	2.438	70	20	DEID	
C[C@H]1CC(=O)CC[C@@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1	159416445	WTXGRGHODDKAFM-JSGCOSHPSA-N	324.421	2.071	70	20	DEID	
COc1ccc([C@@H](O)CNS(=O)(=O)c2ccccc2C)cc1	159483175	YLRPTKGABUBECC-HNNXBMFYSA-N	321.398	2.016	70	20	DEID	
CC(C)Cc1ccc(S(=O)(=O)N(C)[C@H](CN)C2CC2)cc1	159946806	WKTNQFMRNINQKU-MRXNPFEDSA-N	310.463	2.243	70	20	DEID	
CCOC(=O)CCCSc1nnc(-c2ccccn2)n1C	159555061	KYGYVPMUCNLTRB-UHFFFAOYSA-N	306.391	2.313	70	20	DEID	
O=C([C@@H]1C[C@H]1c1ccccc1OC(F)F)N1CCC(O)CC1	159595395	GINAPUIOJKEQQO-QWHCGFSZSA-N	311.328	2.375	70	20	DEID	
C[C@@H]1O[C@H](C)[C@H](C(=O)Nc2ccc(S(=O)(=O)F)cc2)[C@H]1C	875551425	VEWRZDIGVZRGBM-QISWUMQESA-N	315.366	2.343	70	20	DEID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N[C@@H](C#N)CC(C)C	1517876771	LFJMLYTXJQLXMT-LLVKDONJSA-N	312.366	2.321	70	20	DEID	
Cn1ccc(CNC[C@@H]2CCCCN2C(=O)OC(C)(C)C)n1	218149463	AVSVUZXVXNHXNL-AWEZNQCLSA-N	308.426	2.299	70	20	DEID	
C[C@@H](NC(=O)C(=O)Nc1cccc(Cl)c1)C1CCOCC1	161082028	CSLSCUCKABVZHN-SNVBAGLBSA-N	310.781	2.210	70	20	DEID	
CCCCn1c(S[C@H]2Cc3ccccc3C2=O)n[nH]c1=O	161214533	ZPZMYZGSCSGCLX-LBPRGKRZSA-N	303.387	2.271	70	20	DEID	
C[C@H](N[C@H](C)C1CCN(C)CC1)C(=O)NCc1ccccc1	161216541	XSYGDWQEVQTQIG-CABCVRRESA-N	303.450	2.011	70	20	DEID	
CO[C@@H](C)c1noc(CN2CCN(C)C[C@@H]2c2ccccc2)n1	161334556	URABMQVJUFDUBG-DZGCQCFKSA-N	316.405	2.266	70	20	DEID	
O=C(Oc1ccccc1)N1CCCN(C[C@H]2CCCO2)CC1	161499659	ASVDZSHXUBLDQG-MRXNPFEDSA-N	304.390	2.372	70	20	DEID	
CCc1c(C(=O)N[C@H]2CCC[C@@H](N)C2)cnn1-c1ccccc1	161502339	BRBWSKUBFKGHMR-KGLIPLIRSA-N	312.417	2.434	70	20	DEID	
O=C(C[C@@H]1COC(=O)C1)N[C@@H]1CCSc2c(F)cccc21	160099013	KNGJJSGHISRKPJ-JOYOIKCWSA-N	309.362	2.432	70	20	DEID	
O=C(CCc1nc(-c2ccccn2)no1)NCC1(C2CC2)CC1	160113754	VGBCTCDLUCAPKM-UHFFFAOYSA-N	312.373	2.371	70	20	DEID	
O=C(NC[C@@H]1CCCO1)Nc1ccc(O[C@H]2CCOC2)cc1	160383832	MQYMRYZLEHJOBP-GJZGRUSLSA-N	306.362	2.155	70	20	DEID	
CN(Cc1cnc2ccccn12)[C@@H]1CCCC[C@@H]1S(C)(=O)=O	160593282	OFHGKGFFCYXDIF-CABCVRRESA-N	321.446	2.122	70	20	DEID	
Cn1cc(CCNC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)cn1	160927707	QVANYPHTKVITIK-QWHCGFSZSA-N	305.328	2.161	70	20	DEID	
CCc1nnc(NC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)s1	160930939	RYLYVVVGYXSGKO-IEBDPFPHSA-N	308.407	2.180	70	20	DEID	
Cc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2S(C)(=O)=O)cc1N	160961984	NYCFUJIZSKXUER-LSDHHAIUSA-N	324.446	2.005	70	20	DEID	
CN(C)[C@@H](CNC(=O)N[C@H](CCO)C(C)(C)C)c1ccccc1	161182896	UDWMSDVLHLQTHB-JKSUJKDBSA-N	321.465	2.386	70	20	DEID	
CC(C)NC(=O)c1ccc(C(=O)N(C)[C@H]2CCSC2)cc1	161467416	OHEBFTHZVZJDOI-AWEZNQCLSA-N	306.431	2.402	70	20	DEID	
CCN1CCCC[C@H]1CNC(=O)NCC1(CCOC)CCC1	160100418	QPPATQSYBPFDFF-HNNXBMFYSA-N	311.470	2.367	70	20	DEID	
CC(C)NC(=O)c1ccc(C(=O)N[C@@H](C)[C@H]2CCCO2)cc1	160274917	UAZJTGDXJVQSPO-SWLSCSKDSA-N	304.390	2.122	70	20	DEID	
COC[C@H](NC(=O)N[C@H](CCCO)c1ccccc1)C1CC1	160296479	ORXJHKVNHDKOSL-CVEARBPZSA-N	306.406	2.224	70	20	DEID	
COC(=O)C[C@H](NS(C)(=O)=O)c1ccc(C(C)(C)C)cc1	160360160	RISBDIQMIGJHRS-ZDUSSCGKSA-N	313.419	2.138	70	20	DEID	
CC(C)CN1CCCC[C@@H]1CNC(=O)N(C[C@@H](C)O)C(C)C	160961027	KMUNCXWKHNLRLI-HZPDHXFCSA-N	313.486	2.298	70	20	DEID	
Cn1c(C(=O)N[C@H]2CCc3c(Cl)cccc32)cccc1=O	160980496	SQASBIVZBBSMMF-ZDUSSCGKSA-N	302.761	2.456	70	20	DEID	
COc1ccc(N(C)C(=O)CSc2nncs2)cc1F	159435135	GWXPNEGHJRWEMU-UHFFFAOYSA-N	313.379	2.441	70	20	DEID	
CCOCCCC(=O)Nc1cccn(CC(F)(F)F)c1=O	159867489	FFVJQALWZOBRDX-UHFFFAOYSA-N	306.284	2.166	70	20	DEID	
Cc1ccsc1CCCC(=O)N(C)[C@H]1CCS(=O)(=O)C1	159890280	RZBUYNQGCOQLCF-LBPRGKRZSA-N	315.460	2.025	70	20	DEID	
CC(C)CCOc1ccc(S(=O)(=O)NC[C@@H](C)CO)cc1	159703693	JRCFZUOWXIGIKE-CYBMUJFWSA-N	315.435	2.018	70	20	DEID	
CC(=O)N1CC[C@@H](CN(C)C(=O)Nc2ccnc(C)c2Cl)C1	159942088	RCKLFZNBDYSFEU-LBPRGKRZSA-N	324.812	2.376	70	20	DEID	
CN(C)C(=O)c1nnn(-c2ccccc2F)c1C(F)(F)F	159573307	LRAMWKRLFKADGT-UHFFFAOYSA-N	302.231	2.127	70	20	DEID	
O=C1CC[C@@H]2CN(C(=O)c3cc(Cl)c(Cl)[nH]3)CC[C@@H]2N1	160568476	XAGBKJBDNDMCTN-APPZFPTMSA-N	316.188	2.062	70	20	DEID	
O=C(NC[C@@H]1CCCSC1)c1ccc(S(=O)(=O)F)cc1	865210813	PSYSFXJVCRNBEK-JTQLQIEISA-N	317.407	2.218	70	20	DEID	
O=[N+]([O-])c1ccc(N2CC[C@@H]3C[C@H]3C2)c(CS(=O)(=O)F)c1	882627084	FFMOZBYMNWGGDA-ZJUUUORDSA-N	314.338	2.240	70	20	DEID	
O=C(NS(=O)(=O)Cl)Oc1ccccc1Br	100634767	JLDKNXNWYSNTES-UHFFFAOYSA-N	314.544	2.021	70	20	DEID	
C[C@H](CNC(=O)[C@@H]1[C@@H](N)[C@H]2CC[C@@H]1C2)Oc1ccc(F)cc1	161122551	KJMHLKFKYQVTPN-SEQRPAEDSA-N	306.381	2.083	70	20	DEID	
Cc1nn(-c2ccccc2)c(C)c1C(=O)N[C@H]1CCC[C@H](N)C1	161163464	WADGWYSANRMNLV-GJZGRUSLSA-N	312.417	2.489	70	20	DEID	
Cc1ccccc1[C@@H](O)CNC(=O)NCCCC(=O)OC(C)C	160038915	RRHKFIPSEIYIRC-HNNXBMFYSA-N	322.405	2.059	70	20	DEID	
O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)[C@@H]2CCCCO2)C1	160351055	ZYWKZYFMBBPNAM-ZBFHGGJFSA-N	316.401	2.433	70	20	DEID	
CCCCCN(CCO)C(=O)Nc1ccn(CC(F)(F)F)n1	160353757	DMSACQGMICUNCW-UHFFFAOYSA-N	322.331	2.462	70	20	DEID	
COc1ccc(C(=O)N(C)C)cc1NC(=O)C[C@H](C)SC	160547540	BZXWEFNMKJOBCF-JTQLQIEISA-N	310.419	2.477	70	20	DEID	
CC(C)c1ccc(C(=O)NC[C@H](C(C)C)N2CCOCC2)cn1	160626444	YMCMKVQOVKVRSL-QGZVFWFLSA-N	319.449	2.292	70	20	DEID	
Cc1nnc(CSc2nnc(-c3ccccc3)n2C)n1C	160965193	YJKANAGTILLAKZ-UHFFFAOYSA-N	300.391	2.211	70	20	DEID	
O=C(NC[C@@H](O)c1ccsc1)[C@H]1CC(c2ccccc2)=NO1	159663761	FZEOQSNOUVPCRG-HUUCEWRRSA-N	316.382	2.091	70	20	DEID	
C[C@@H](NCc1cn2ccccc2n1)c1cccc(-n2cnnn2)c1	159398427	JHJAZMSKLPASGE-CYBMUJFWSA-N	319.372	2.161	70	20	DEID	
C#CCCCC(=O)Nc1ccc(F)c(CS(=O)(=O)F)c1	876318652	HSURLSZMLZWTAY-UHFFFAOYSA-N	301.314	2.367	70	20	DEID	
COc1cnc(NC(=O)c2cccc(S(=O)(=O)F)c2)s1	1349532748	OQWXIVALACCHGG-UHFFFAOYSA-N	316.335	2.062	70	20	DEID	
O=C(O)c1cccc(OC(=O)c2ccc(S(=O)(=O)F)cc2)c1	1602448091	LMKYIWICLYSFCF-UHFFFAOYSA-N	324.285	2.262	70	20	DEID	
CCOc1ccc(S(=O)(=O)NCC(C)(C)O)c2ccccc12	161001509	WJJLCRPAHSPQDY-UHFFFAOYSA-N	323.414	2.288	70	20	DEID	
CC(C)CCn1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2C(N)=O)n1	161193403	CGRAIOHRVIADQV-QWHCGFSZSA-N	321.425	2.095	70	20	DEID	
COC[C@@H](O)CCNC(=O)CCc1ccc(CC(C)C)cc1	161255954	DUXVFICYPWYBFB-KRWDZBQOSA-N	307.434	2.331	70	20	DEID	
NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)CCc1ccc(F)cc1F	161282812	QUHUBJVUJRTLQL-OCCSQVGLSA-N	310.344	2.058	70	20	DEID	
CN1CCC[C@@H]1CCN1CCN(CCOc2ccccc2)CC1	161295340	IKISYCQCIMXILT-GOSISDBHSA-N	317.477	2.167	70	20	DEID	
Cc1cnccc1CCNC(=O)N[C@@H](C)Cc1c(C)noc1C	161426513	DHCLOFWEXOYXCN-LBPRGKRZSA-N	316.405	2.468	70	20	DEID	
Cc1cc(C(=O)N[C@H](CN2CCCC2)c2ccccc2)ncn1	161457606	HMFMUSPFSAFUHA-QGZVFWFLSA-N	310.401	2.352	70	20	DEID	
CCc1n[nH]c(=O)c(CNC(=O)N2CC[C@@H](C)C[C@H]2C)c1CC	160349655	YVVBACCQAWEDFC-VXGBXAGGSA-N	320.437	2.225	70	20	DEID	
CN(C(=O)C[S@@](=O)c1ncc(C(C)(C)C)s1)C1CC1	160430724	CXIFSVXFTLRYTL-IBGZPJMESA-N	300.449	2.169	70	20	DEID	
C[C@@H](C(=O)NC1CC1)[S@@](=O)c1ncc(C(C)(C)C)s1	160567991	SLNPVEMLJLYFHU-RLBGWGEZSA-N	300.449	2.215	70	20	DEID	
COc1ccccc1OC[C@H](C)CNC(=O)NC[C@@H]1CCCO1	160571956	FPUQNLFRGCHEMM-KGLIPLIRSA-N	322.405	2.188	70	20	DEID	
CC[C@@H](O)CCNC(=O)NC[C@H](c1ccccc1)N1CCCC1	160630819	NWCSMYRXVYKTFM-IAGOWNOFSA-N	319.449	2.284	70	20	DEID	
CCOC(=O)NCCCC(=O)N[C@@H]1CCC[C@H]1SCC	160653027	VTYDJKONKNCFQF-VXGBXAGGSA-N	302.440	2.303	70	20	DEID	
C[C@@]1(C(=O)N[C@H](Cc2ccccc2)C(F)(F)F)CCNC1	160832912	NBBOPQNUWMRWEH-TZMCWYRMSA-N	300.324	2.276	70	20	DEID	
CN(C(=O)c1cnc2c(c1)ncn2C)[C@@H](CCO)c1ccccc1	160892405	UAEFRORPSSTWNN-INIZCTEOSA-N	324.384	2.164	70	20	DEID	
C[C@@H]1CCCC[C@@H]1OCCSc1nnc(Cn2cncn2)o1	160977495	RSTQLVVDZBDOKI-NEPJUHHUSA-N	323.422	2.397	70	20	DEID	
CCCN(CC)CCNC(=O)N[C@H](CO)c1ccc(CC)cc1	159412628	YPUFQXIJHFFBLR-QGZVFWFLSA-N	321.465	2.314	70	20	DEID	
COc1cc(NC(=O)C(=O)N2CCC3(CCC3)C2)cc(OC)c1	159418381	SHTBDBRRMFMMNL-UHFFFAOYSA-N	318.373	2.045	70	20	DEID	
COc1ccc(Cl)cc1CN(C)C(=O)c1cc[nH]c(=O)c1	159739045	UVLDJFAUPVWKIX-UHFFFAOYSA-N	306.749	2.309	70	20	DEID	
CCOCCO[C@@H](C)C(=O)NCCc1cc2ccccc2[nH]1	159575348	CCLFRMUXGHQZBV-ZDUSSCGKSA-N	304.390	2.268	70	20	DEID	
O=C(N[C@@H]1CCC[C@H]2OCC[C@H]12)c1ccc(N2CCCC2)nc1	159778703	DLJURLLYVPKGNK-BZUAXINKSA-N	315.417	2.369	70	20	DEID	
C[C@@H](NC(=O)c1ccoc1)C(=O)N[C@@H]1CCOC2(CCCC2)C1	159974290	LQBVOWGGWGVCKE-TZMCWYRMSA-N	320.389	2.006	70	20	DEID	
CC(C)CN(CC(N)=O)C(=O)[C@@H](C)Oc1cccc(Cl)c1	159785640	JGMWDEITXLRHAG-LLVKDONJSA-N	312.797	2.077	70	20	DEID	
COCCN(CCOC)C(=O)NCCCOc1ccc(C)cc1	217297910	PKHBUUQPCFFHQV-UHFFFAOYSA-N	324.421	2.068	70	20	DEID	
C[C@H]1C[C@@H](C)O[C@H]1C(=O)Nc1ccc(S(=O)(=O)F)cc1	283615716	UWIMDGHTMLBPDS-YGOYTEALSA-N	301.339	2.097	70	20	DEID	
CCCCN(CCOC)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	161073964	PLHNQYHGOIPRQF-ZNMIVQPWSA-N	310.438	2.402	70	20	DEID	
CCC[C@H](CCO)CNC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	161105854	AARQUHCHDLBSBE-BARDWOONSA-N	310.438	2.042	70	20	DEID	
CCOc1cc(NC2CCN(C(=O)CC(C)C)CC2)ncn1	161113050	BZXOVEKZGIRHEK-UHFFFAOYSA-N	306.410	2.324	70	20	DEID	
CC(C)[C@H]1CCCN(C(=O)N[C@@H]2CCc3ncnn3C2)CC1	161352262	PFZRPZLIDNLARP-UONOGXRCSA-N	305.426	2.061	70	20	DEID	
CC(C)c1nc(C(=O)NCCCN)nn1-c1ccccc1Cl	160105105	SEEYSGKRBOQTEI-UHFFFAOYSA-N	321.812	2.123	70	20	DEID	
COCCN1CCC(NC(=O)c2cnc(C(C)C)s2)CC1	160378626	LPPWEEDIPKPIDZ-UHFFFAOYSA-N	311.451	2.107	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)c1ccn(-c2cccc(F)c2)n1	160546866	KQTDEDSIUSWOJN-LLVKDONJSA-N	319.336	2.083	70	20	DEID	
NC(=O)c1cccc(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)c1	160788490	GZBQWBDRPPONNX-OAHLLOKOSA-N	316.401	2.397	70	20	DEID	
CCC[C@@H]1CN(C(=O)NC[C@@H]2Cc3ccccc3O2)CCO1	159670721	QMKPCFAQUIWMQJ-CABCVRRESA-N	304.390	2.201	70	20	DEID	
COc1ccnc(C(=O)NCc2nc3cccc(C)c3n2C)c1	159782001	OZGZTCGKNRCYRM-UHFFFAOYSA-N	310.357	2.215	70	20	DEID	
C#CCN(C(=O)c1cc(S(=O)(=O)F)ccc1Cl)C1CC1	1338080373	SLYZKCRTBWHKKV-UHFFFAOYSA-N	315.753	2.236	70	20	DEID	
C[C@@H]1CCC[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1350747385	KEQAFVVHWMKGJA-ZJUUUORDSA-N	302.371	2.229	70	20	DEID	
CC[C@@H](C(=O)N[C@@H](C)CCS(C)(=O)=O)c1ccc(F)cc1	161144401	UGNRVRZMNWDHPF-SMDDNHRTSA-N	315.410	2.259	70	20	DEID	
C[C@H](Cc1cccs1)NC(=O)CNC(=O)CC1CCCC1	160004027	SWVBEYDQZGKYCF-GFCCVEGCSA-N	308.447	2.492	70	20	DEID	
COc1ccccc1[C@H]1CCN(C(=O)NCCn2cccn2)C1	160041647	ITQMXJJHGLGUPC-AWEZNQCLSA-N	314.389	2.091	70	20	DEID	
C[C@H](NC(=O)c1cncc(-c2ccc(Cl)cc2)c1)C(N)=O	160259016	XVTAQKCZOKTINL-VIFPVBQESA-N	303.749	2.006	70	20	DEID	
COc1ccc(OC)c([C@@H](C)N[C@H]2CCc3nc(C)nn3C2)c1	160327045	BWEPIEKYYFBSEE-YPMHNXCESA-N	316.405	2.269	70	20	DEID	
CCOC(=O)C(C)(C)n1cc(NC(=O)N(C)CCC2CC2)cn1	160542329	DRXWFQCMVCNWQV-UHFFFAOYSA-N	322.409	2.445	70	20	DEID	
C[C@@H](C(=O)NC1CC1)[S@](=O)c1ncc(C(C)(C)C)s1	160568259	SLNPVEMLJLYFHU-WPCRTTGESA-N	300.449	2.215	70	20	DEID	
CC[C@H](C)C(=O)N1CCC[C@H](C(=O)Nc2cccc(F)n2)C1	160618901	OTZFZFVKFJMRLR-RYUDHWBXSA-N	307.369	2.444	70	20	DEID	
CC(C)COc1ccccc1CNC(=O)c1cccc(=O)n1C	160769553	ZYOIESNZSOAFSI-UHFFFAOYSA-N	314.385	2.350	70	20	DEID	
COCCN(C)CCN[C@@H](C)c1ccc(N2CCCC2=O)cc1	159405714	PJTCFPUVBVVAGK-HNNXBMFYSA-N	319.449	2.042	70	20	DEID	
CC(=O)N1CC[C@@H](NC(=O)[C@H](C)c2cc3ccccc3o2)C1	159854004	MFGUVJLZGUEXBK-BXUZGUMPSA-N	300.358	2.273	70	20	DEID	
CSCc1ccc(C(=O)NC[C@@H](O)CN2CCCCC2)cc1	159977009	RPDKFRXAMYYGNN-MRXNPFEDSA-N	322.474	2.126	70	20	DEID	
O=C(NCC[C@H]1CCCCO1)c1cccc(S(=O)(=O)F)c1	1337520055	OLFFGQUGLPJIFV-GFCCVEGCSA-N	315.366	2.034	70	20	DEID	
CS[C@@H]1CCCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1346641341	FZSVQTIGNDZFHT-SECBINFHSA-N	320.411	2.031	70	20	DEID	
O=C(CCc1ccc(S(=O)(=O)F)cc1)N1C[C@H]2C=C[C@H]1C2	1518365113	JZSCKOXKHBOENP-STQMWFEESA-N	309.362	2.064	70	20	DEID	
CC1(C)CN(c2ccc(S(=O)(=O)F)cn2)[C@H]1[C@H]1CCCO1	1550621666	VQQUMJFWASLLIV-YPMHNXCESA-N	314.382	2.134	70	20	DEID	
CCc1n[nH]c(-c2ccccc2NC(=O)COCC2CC2)n1	161019135	QQVCKUQNXUDPDR-UHFFFAOYSA-N	300.362	2.399	70	20	DEID	
CCC(=O)N1CC[C@@H](C(=O)Nc2ccc(-c3ncc[nH]3)cc2)C1	161169713	IKRVGWJHHZJPSF-CYBMUJFWSA-N	312.373	2.274	70	20	DEID	
C[C@@H](C(=O)N(C)c1ccccc1)N1CCN(c2ccncc2)CC1	161320123	UHULVBAXCGAUHD-INIZCTEOSA-N	324.428	2.255	70	20	DEID	
COC(=O)Nc1cccc(NC(=O)[C@H]2CCn3ccnc3C2)c1	160119719	DPMVVABJIOZOIQ-NSHDSACASA-N	314.345	2.263	70	20	DEID	
CCC(O)(CC)CNS(=O)(=O)c1ccc(SC)cc1	160204527	UCSGPTQYXNUQDF-UHFFFAOYSA-N	303.449	2.238	70	20	DEID	
Cc1cccc(C)c1OCCNC(=O)N1CCC[C@@](C)(O)C1	160576012	JYWFONXLIWMNFL-QGZVFWFLSA-N	306.406	2.239	70	20	DEID	
CC(C)CSCCCNC(=O)[C@H](C)OC[C@@H]1CCCO1	160717152	CWIPDVRVEFETRC-KBPBESRZSA-N	303.468	2.466	70	20	DEID	
CCS(=O)(=O)C[C@H](C)N(C)CCC(=O)c1ccc(C)cc1	159668280	XNCMEFJSXZUJMU-AWEZNQCLSA-N	311.447	2.323	70	20	DEID	
CN(CCn1ccnc1)C1CCN(C(=O)OC(C)(C)C)CC1	159868286	ONGNLPRLNUYCIK-UHFFFAOYSA-N	308.426	2.214	70	20	DEID	
CS[C@H]1CC[C@@H](NC(=O)c2ccc(S(=O)(=O)F)cc2)C1	889252605	ZRFFANDZPWBGIW-MNOVXSKESA-N	317.407	2.359	70	20	DEID	
CCOC[C@H](NC(=O)c1cccc(S(=O)(=O)F)c1)C(C)C	1354883537	BEFYYMPBFKRUQZ-ZDUSSCGKSA-N	317.382	2.136	70	20	DEID	
CC(C)(C)NCCNC(=O)CCc1nc(C2CCCC2)no1	161021601	CIDHZKWCYHXYKR-UHFFFAOYSA-N	308.426	2.164	70	20	DEID	
CCN(Cc1ccc(C(=O)NCC[C@H](O)COC)cc1)C(C)C	161236656	LTFRDXANFLVDLO-KRWDZBQOSA-N	322.449	2.044	70	20	DEID	
CC(=O)Nc1ccc(C(=O)N[C@H]2CCN(c3ccccn3)C2)cc1	161326158	GOKCXQYWJHOEPG-INIZCTEOSA-N	324.384	2.049	70	20	DEID	
CN(C)C[C@@](C)(O)CNC(=O)CCC(C)(C)c1ccccc1	161414769	LPJDTAIUTVPOSL-SFHVURJKSA-N	306.450	2.173	70	20	DEID	
CCOCCC1(CNC(=O)NCC(C)(C)C[C@H](C)O)CC1	161470676	LMQRRYZXMSCOBP-ZDUSSCGKSA-N	300.443	2.290	70	20	DEID	
CSc1ccc(NC(=O)NCC2(CO)CCOCC2)cc1	160000447	VOIMCTAMBKREAU-UHFFFAOYSA-N	310.419	2.319	70	20	DEID	
CS[C@@H](C)CC(=O)NCc1cccc(CN2CCOCC2)c1	160164521	CKCAPFWMMZDSQG-AWEZNQCLSA-N	322.474	2.277	70	20	DEID	
CCc1ccc([C@@H](C)CC(=O)NCCN2C(=O)CCC2=O)cc1	160315300	AFUSQUPPZBTOFL-ZDUSSCGKSA-N	316.401	2.008	70	20	DEID	
O=C(NCCCNc1ccccn1)[C@@H]1OCCc2ccccc21	160435307	FQWCBSWGRZGLNN-QGZVFWFLSA-N	311.385	2.314	70	20	DEID	
O=C1CC[C@H]2CN(C(=O)Nc3ccc(Cl)cc3)CC[C@H]2N1	160699974	QRVGUEQWAFDVGR-GXFFZTMASA-N	307.781	2.472	70	20	DEID	
CC(C)=CC(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cn1	160907907	RQOPTFAUDDRRSX-UHFFFAOYSA-N	311.407	2.063	70	20	DEID	
CC[C@@H](Oc1ccccc1Cl)C(=O)NCC[C@@H](O)COC	160972379	KXICOFMZBQFEHT-DGCLKSJQSA-N	315.797	2.011	70	20	DEID	
CCOC(=O)NCCCC(=O)N1CCc2c(F)cccc2C1	160980618	HFLJJAPIFMQZSC-UHFFFAOYSA-N	308.353	2.237	70	20	DEID	
C[C@H](OC[C@@H]1CCCO1)C(=O)NCCc1cc2ccccc2[nH]1	159605500	ATZCWMCDCCVGHV-BBRMVZONSA-N	316.401	2.411	70	20	DEID	
COc1cc(Cl)c(C(=O)NC[C@H](C)CCO)cc1OC	159611252	BNIYBCHCOSPXMY-SECBINFHSA-N	301.770	2.106	70	20	DEID	
Cc1cc(N[C@H](C)C(=O)NC(=O)Nc2ccccc2F)nn1C	159615803	POGDTQSXUOLLQB-SNVBAGLBSA-N	319.340	2.016	70	20	DEID	
Cc1c(C(=O)NC[C@H](C)CN2CCCC2)cnn1CC(C)C	159422731	PFNONTKQJQCRBK-AWEZNQCLSA-N	306.454	2.309	70	20	DEID	
C[C@@H](NC(=O)/C=C/c1ccc(Cl)nc1)C(=O)NC(C)(C)C	159858579	AZANAWCKZAJUNQ-QEHWCHDUSA-N	309.797	2.168	70	20	DEID	
C[C@H](C(=O)Nc1ccc(F)c(F)c1)N(C)C[C@@H]1CCC[C@@H]1O	159509504	PDPVPFUEBRLCBJ-ZETOZRRWSA-N	312.360	2.385	70	20	DEID	
Cc1cccc([C@H]2CCCN2CC(=O)NC(=O)NC(C)(C)C)n1	159931288	DDSMNXIEQFBEAU-CQSZACIVSA-N	318.421	2.151	70	20	DEID	
C[C@@H]1CCCN(CCNC(=O)[C@H](O)c2ccccc2Cl)C1	159542939	WEDXPQYKSJUJHT-IUODEOHRSA-N	310.825	2.222	70	20	DEID	
Cc1c(/C=C/C(=O)NCCO[C@@H]2CCCC[C@H]2C)cnn1C	159384499	BKVFLUVSSFEMGZ-UHBMGKAKSA-N	305.422	2.453	70	20	DEID	
O=C(CNc1nnc(C(F)(F)F)s1)NCc1ccccc1	160157789	GXASEOKDZJZCIA-UHFFFAOYSA-N	316.308	2.285	70	20	DEID	
O=C(NCCCc1ccsc1)c1cc(S(=O)(=O)F)c[nH]1	1337685367	ULRVSGAMUBCKQY-UHFFFAOYSA-N	316.379	2.097	70	20	DEID	
O=C(Cc1ccc(S(=O)(=O)F)cc1)N[C@@H]1CCCC[C@H]1F	1518251126	WZKXMQIPNCDLPO-CHWSQXEVSA-N	317.357	2.284	70	20	DEID	
CCc1ccc([C@H](CNC(=O)c2cc(C)ncn2)N(C)C)cc1	161301852	YMGXMEOLURIVBB-KRWDZBQOSA-N	312.417	2.380	70	20	DEID	
CCc1nn(C)c(Cl)c1C(=O)NCCc1ccncc1C	161322821	KTCDAGJLZKONHM-UHFFFAOYSA-N	306.797	2.312	70	20	DEID	
C[C@]1(c2cc(F)cc(F)c2)NC(=O)N(Cc2nccs2)C1=O	161411894	YBEIQFDBRLJEIA-CQSZACIVSA-N	323.324	2.389	70	20	DEID	
CCc1ccc(/C=C/C(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)o1	160004288	PAZRBAGRHVKSIZ-NYXKHXTOSA-N	313.419	2.135	70	20	DEID	
Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NCCCN	160024700	FLXPXEDLOPWQSZ-UHFFFAOYSA-N	320.824	2.280	70	20	DEID	
NCCCNC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1	160033376	IHSYZBFPERLINS-UHFFFAOYSA-N	322.796	2.178	70	20	DEID	
CC(C)CCn1ccc(NC(=O)NCC2CCN(C)CC2)n1	160072041	DUTXJROAGSNCHO-UHFFFAOYSA-N	307.442	2.393	70	20	DEID	
CC[C@@](C)(O)CNS(=O)(=O)/C=C/c1ccccc1Cl	160312126	DZCQDNZXSPICMX-MMQHEFTJSA-N	303.811	2.391	70	20	DEID	
COc1ccc(CCNC(=O)[C@@H](N)CCSC)c(Cl)c1	160606530	XZMBPZMLEJYKRR-ZDUSSCGKSA-N	316.854	2.088	70	20	DEID	
C[C@@H](N[C@@H](CN1CCCC1=O)c1ccccc1)c1cnccn1	160710546	UKPFJCZCIBTSIV-PBHICJAKSA-N	310.401	2.491	70	20	DEID	
O=C(NCCCNc1ccccc1)N[C@@H]1CCN(CC2CC2)C1	160731633	GTMUTRHOFLYCFM-QGZVFWFLSA-N	316.449	2.272	70	20	DEID	
O=C(NC[C@@H]1CCCC[C@H]1O)Nc1ccn(CC(F)(F)F)n1	160821090	ZFTYUASPJQEJBB-VHSXEESVSA-N	320.315	2.118	70	20	DEID	
Cc1cc(NC(=O)[C@H]2CSCN2)ccc1OC1CCOCC1	160938616	NVRGMBKRGYHYFL-CQSZACIVSA-N	322.430	2.154	70	20	DEID	
COc1cccc(CS(=O)(=O)CCc2c(C)noc2C)c1	159604822	UORNKKUFNZTQTH-UHFFFAOYSA-N	309.387	2.458	70	20	DEID	
COC[C@]1(C)NC(=O)N(CCSc2ccc(C)c(C)c2)C1=O	159415410	QDFMOHSRSYNEGR-INIZCTEOSA-N	322.430	2.352	70	20	DEID	
CCC(C)(CC)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1	159419039	BLAVUUFXCIKEAT-UHFFFAOYSA-N	302.378	2.336	70	20	DEID	
Cc1cc(NC(=O)COc2ccc(F)c(Cl)c2)c[nH]c1=O	159623579	VNVYIFYQQDXSCQ-UHFFFAOYSA-N	310.712	2.493	70	20	DEID	
Cc1noc(C)c1[C@H](C)CNC(=O)NC[C@@H](C)N(C)C1CC1	159863090	RQUZATFTVLBMDU-GHMZBOCLSA-N	308.426	2.177	70	20	DEID	
COC[C@H](O)CNC(=O)c1ccccc1Oc1ccccc1	159538668	GMDBZRHVNKKWCK-CYBMUJFWSA-N	301.342	2.216	70	20	DEID	
CCCCNC(=O)CN1CCO[C@@]2(CCc3ccccc32)C1	159549351	FRAVKZREKMCLRV-SFHVURJKSA-N	302.418	2.077	70	20	DEID	
CN(Cc1cccn1C)C(=O)c1cncc(Br)c1	160351767	OEBHDNSAPRYPQC-UHFFFAOYSA-N	308.179	2.455	70	20	DEID	
CCC1(C)CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1348647571	SUXHELJBNCUALT-UHFFFAOYSA-N	302.371	2.325	70	20	DEID	
CC[C@]1(C)CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1263717025	VECADWLFWLKKAY-CYBMUJFWSA-N	302.371	2.325	70	20	DEID	
Cc1ccc(NC(=O)C2(CN)CCCC2)cc1S(=O)(=O)F	1579715736	JOWNVDISSAYYGE-UHFFFAOYSA-N	314.382	2.111	70	20	DEID	
Cn1ccc(C(=O)NCc2cc(Br)cs2)n1	218010604	SRENKDUIDABIKV-UHFFFAOYSA-N	300.181	2.174	70	20	DEID	
CC(C)C[C@H](CO)NC(=O)c1cccc(Oc2cnccn2)c1	161080874	DXFNQIPTEBFVBS-CQSZACIVSA-N	315.373	2.406	70	20	DEID	
O=C(Cc1ccc(Br)c(F)c1)NC[C@H]1CCOC1	161106327	YBGHIYMLLYGYCA-SNVBAGLBSA-N	316.170	2.283	70	20	DEID	
O=C1N[C@@]2(CCc3ccccc3C2)C(=O)N1Cc1nccs1	161128884	UJAQYAYYXSUIMU-MRXNPFEDSA-N	313.382	2.123	70	20	DEID	
CCC(=O)N1CC[C@H](NC(=O)[C@@H](CC)c2ccc(F)cc2)C1	161140987	APQGQCLGPWMCGP-GJZGRUSLSA-N	306.381	2.446	70	20	DEID	
COC[C@@H](O)CCNC(=O)c1ccccc1Oc1cccnc1	161146027	LCRWLZVVQOKQRE-ZDUSSCGKSA-N	316.357	2.001	70	20	DEID	
CCCN(C)S(=O)(=O)N(CC(=O)OC(C)(C)C)[C@@H](C)CC	161172454	CEHUWPXEUDGTTH-LBPRGKRZSA-N	322.471	2.015	70	20	DEID	
COC[C@@H](O)CCNC(=O)c1cccc(Oc2nccs2)c1	161476515	GKBAMJDSARNJOG-LBPRGKRZSA-N	322.386	2.063	70	20	DEID	
C[C@H](CC(=O)N1CCC(N2CCCC2=O)CC1)c1ccncc1	160059002	KVDRAFOWVCDFGQ-CQSZACIVSA-N	315.417	2.189	70	20	DEID	
CCCCn1ncc(NC(=O)N[C@@H]2CCN(C(C)C)C2=O)c1C	160160930	RZPCTTMDYLWRJD-CYBMUJFWSA-N	321.425	2.122	70	20	DEID	
C[C@H](CCO)NC(=O)NC1CCN([C@H](C)c2ccccc2)CC1	160203332	RKSNXOQYXHWTIK-HUUCEWRRSA-N	319.449	2.282	70	20	DEID	
CCN(C(=O)C1CCC(C)(C)CC1)[C@H](C)CS(C)(=O)=O	160346094	XCMHQNTZWKCCJY-GFCCVEGCSA-N	303.468	2.484	70	20	DEID	
C[C@]1(O)CCCN(C(=O)NC[C@H]2CCN(c3ccccc3)C2)C1	160443291	OWHHTZPBFFYDRX-QAPCUYQASA-N	317.433	2.069	70	20	DEID	
CCC(O)(CC)CNC(=O)Nc1ccn(CC(F)(F)F)n1	160493020	UNUVUHMJPMSUIV-UHFFFAOYSA-N	308.304	2.118	70	20	DEID	
CCCCn1ncc(NC(=O)NCC2(OC)CCOCC2)c1C	160642671	YGVJZKCEXCSKMZ-UHFFFAOYSA-N	324.425	2.309	70	20	DEID	
COc1cc(C(=O)N[C@H](CCO)C(C)C)ccc1OC(F)F	160687816	MPGLPAJVUIPDOT-LLVKDONJSA-N	317.332	2.433	70	20	DEID	
CC[C@H]1CN(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)CCO1	160735300	IGMBTZKNMOBCHR-AWEZNQCLSA-N	315.377	2.125	70	20	DEID	
CCn1cc(NC(=O)Nc2ccn(CC(F)(F)F)n2)cn1	160784908	BSWQIDYEZLDGKK-UHFFFAOYSA-N	302.260	2.306	70	20	DEID	
CC(=O)N(Cc1ccc(NC(=O)[C@@H]2CSCN2)cc1)C(C)C	160953933	XOIOATFJFCDLGK-HNNXBMFYSA-N	321.446	2.045	70	20	DEID	
COc1ccsc1S(=O)(=O)NCC1(O)CCCCCC1	160979600	VBUNTXNRQBKIHY-UHFFFAOYSA-N	319.448	2.120	70	20	DEID	
CCOC(=O)C[C@H](C)Sc1nc(C(C)C)nc(N(C)C)n1	159802876	LOTKXUQHWKAGGR-JTQLQIEISA-N	312.439	2.495	70	20	DEID	
Cc1ccc([C@H](C)CNS(=O)(=O)c2cn(C)c(C)n2)cc1	159673487	PSVKPXQGQDSHBM-GFCCVEGCSA-N	307.419	2.119	70	20	DEID	
CCN1CCCN(C(=O)N[C@H](CCCO)c2ccccc2)CC1	159896051	DSOOMNQHRHQJAB-QGZVFWFLSA-N	319.449	2.237	70	20	DEID	
C[C@@H]1CSc2ccccc2N(C(=O)[C@H](C)S(C)(=O)=O)C1	159533723	JAAQAPGGBRMQTL-QWRGUYRKSA-N	313.444	2.195	70	20	DEID	
COCCOc1ccccc1NC(=O)CCc1cnn(C)c1C	159750053	MKZUSNLSGXAJJH-UHFFFAOYSA-N	317.389	2.325	70	20	DEID	
CN(CCCNC(=O)N1CCC[C@@](C)(O)C1)Cc1ccccc1	159951074	GFDZEJRAKCLKKM-GOSISDBHSA-N	319.449	2.065	70	20	DEID	
CC(C)N(CCN(C)C)C(=O)NCCOCc1ccccc1	159384453	GHLCQXNHONHRCR-UHFFFAOYSA-N	307.438	2.185	70	20	DEID	
CC1(O)CCN(c2ccccc2S(=O)(=O)C(F)F)CC1	161188639	XISIXUHUBMKDJP-UHFFFAOYSA-N	305.346	2.034	70	20	DEID	
C[C@H](CC(=O)Nc1ccc(S(=O)(=O)F)cc1)n1ccnc1	864238852	QGXKIAYSGPIEJY-SNVBAGLBSA-N	311.338	2.131	70	20	DEID	
CO[C@H]1CC[C@@H](OC(=O)c2ccc(S(=O)(=O)F)cc2)C1	890422046	PRGTXSYXXYOVQS-WDEREUQCSA-N	302.323	2.069	70	20	DEID	
COCC(C)(C)CNC(=O)c1ccc(S(=O)(=O)F)cc1C	1338935443	ZLOPHDDLNHIFEH-UHFFFAOYSA-N	317.382	2.056	70	20	DEID	
COc1ccc2c(c1)CN(CCCS(=O)(=O)C(C)C)CC2	161005843	UAOXHQRWJWAYKE-UHFFFAOYSA-N	311.447	2.267	70	20	DEID	
CC(=O)NC1CCN(C(=O)Nc2ccn(CCC(C)C)n2)CC1	161107086	FMXFIEYGLFLMTH-UHFFFAOYSA-N	321.425	2.062	70	20	DEID	
CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)[C@@H]1CCOC1=O	161228401	QWEIGUCCPVPPAJ-MRXNPFEDSA-N	317.364	2.396	70	20	DEID	
Cc1ccc(NC(=O)C(=O)N[C@H](C)Cc2ccccc2F)cn1	161243344	OSCLKKSDXFKOKR-GFCCVEGCSA-N	315.348	2.215	70	20	DEID	
CCc1c(C(=O)N(CCCCO)C2CC2)[nH]c(C)c1C(C)=O	160208654	UQTLCRWKHNOWPC-UHFFFAOYSA-N	306.406	2.465	70	20	DEID	
Cc1ccc(C(=O)NC2CCN([C@H]3CCCC[C@@H]3O)CC2)o1	160240099	SLHHPGUCWVSZFO-GJZGRUSLSA-N	306.406	2.086	70	20	DEID	
Cc1nc(CCN[C@@H](C)c2nnnn2-c2ccccc2)cs1	160271859	NZWZUCXWDBBRNW-NSHDSACASA-N	314.418	2.321	70	20	DEID	
COc1c(CNC(=O)NCc2ccccc2Cl)c(C)nn1C	160327525	KHPWACOWZOSLPY-UHFFFAOYSA-N	322.796	2.390	70	20	DEID	
CC[C@@H]1CC(=O)N(CN(C)CCN(C)C(=O)OC(C)(C)C)C1	160536188	QCTLSYZBPZFXPZ-CYBMUJFWSA-N	313.442	2.001	70	20	DEID	
CCN(CC)CCCNC(=O)N[C@H]1[C@@H]2Cc3ccccc3[C@H]12	160664296	MGTDUYYQOMNGOR-IKGGRYGDSA-N	301.434	2.356	70	20	DEID	
CCCNC(=O)CCC(=O)N[C@@H]1CCc2c(OC)cccc21	159880022	SLAZRFWJNNEFPK-CQSZACIVSA-N	304.390	2.105	70	20	DEID	
O=c1n(CCCOc2ccc(F)cc2)nnn1-c1ccccc1	217131620	BQBSHIIUBCBOQW-UHFFFAOYSA-N	314.320	2.037	70	20	DEID	
CO[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	1339084619	DXRGHJPXRLXZID-GXSJLCMTSA-N	319.329	2.238	70	20	DEID	
CC[C@](C)(CNC(=O)c1ccc(S(=O)(=O)F)cc1C)OC	1354979002	CPDJQKUYBJUOGG-CQSZACIVSA-N	317.382	2.198	70	20	DEID	
CCN(CCc1ccccc1)C(=O)C(=O)Nc1ccc(C)nc1	161060830	AHDMGOUBBYWUOK-UHFFFAOYSA-N	311.385	2.420	70	20	DEID	
C[C@@H](CC(=O)NCCn1c(=O)[nH]c2ccccc21)c1ccncc1	161026932	NBAFHTJSPCZMNV-ZDUSSCGKSA-N	324.384	2.035	70	20	DEID	
COCc1ccc([C@H]2CCCN2C(=O)c2ccc(C)[nH]c2=O)o1	161333296	LMZJATVUHGKKFB-CQSZACIVSA-N	316.357	2.400	70	20	DEID	
CC[C@H](NC(=O)[C@H]1CCn2ccnc2C1)c1nc(C)cs1	161440821	DFGOZKNQLIPKTR-RYUDHWBXSA-N	304.419	2.478	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)COc1ccc(Cl)cc1C	160034129	XDNCHEQRVUBHTQ-LLVKDONJSA-N	313.781	2.485	70	20	DEID	
Cc1conc1NC(=O)C(=O)N(C)[C@@H](C)c1cc(F)ccc1F	160408413	ZRJZNDAEQQUERM-VIFPVBQESA-N	323.299	2.419	70	20	DEID	
C[C@H](CC(=O)N(C)Cc1ccccc1Cl)NCC(C)(C)O	160635265	WASUAZYLPUWKDU-GFCCVEGCSA-N	312.841	2.438	70	20	DEID	
O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)N1CCC(CO)CC1	160865693	GKKJUTWFAXYOCS-IRXDYDNUSA-N	318.417	2.321	70	20	DEID	
CC1CCN(CCCCNC(=O)[C@@H](O)c2ccccc2)CC1	159605167	LGXBCVADGQFNDZ-KRWDZBQOSA-N	304.434	2.348	70	20	DEID	
COC[C@@H](O)CNC(=O)c1ccccc1Nc1ccccc1	159447149	WIRWGCIBUCSWJF-AWEZNQCLSA-N	300.358	2.167	70	20	DEID	
O=C(NCCc1nnc2n1CCCCC2)N1CCC2(CCC2)C1	159679533	VSJRGZVCEZUHLZ-UHFFFAOYSA-N	317.437	2.133	70	20	DEID	
CCN1CCC(NC(=O)N2CCc3cccc(F)c3C2)CC1	159709142	AULXOZJDOOUFAV-UHFFFAOYSA-N	305.397	2.378	70	20	DEID	
CCCN1CC[C@H](CNC(=O)NCC2(CCOCC)CC2)C1	159763823	APJJCFXYLMZDCH-OAHLLOKOSA-N	311.470	2.224	70	20	DEID	
CC(=O)Nc1nc(C(=O)N[C@H]2CCOC3(CCCC3)C2)cs1	159972776	VOMOWACOXMGANP-NSHDSACASA-N	323.418	2.323	70	20	DEID	
CC(C)CN(CC(N)=O)C(=O)CCSc1ccc(F)cc1	159795506	NQPKNKLKMPSOCG-UHFFFAOYSA-N	312.410	2.278	70	20	DEID	
CCOCCC1(CNC(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)CC1	159998629	PZFPFOUZSMZDRP-ZIAGYGMSSA-N	309.454	2.118	70	20	DEID	
O=C(N[C@H]1CCSC1)c1cc(S(=O)(=O)F)ccc1Cl	1337368177	GHQWIIZRQSJYET-ZETCQYMHSA-N	323.798	2.234	70	20	DEID	
Cc1cc(C)c(Br)c(C(=O)Nc2ncnn2C)c1	161133034	LUMVTJGWUFPHKX-UHFFFAOYSA-N	309.167	2.447	70	20	DEID	
CCc1nc(CN2CCC(CCC(=O)N(CC)CC)CC2)n[nH]1	161234152	MNQYZFFOTVMLTI-UHFFFAOYSA-N	321.469	2.228	70	20	DEID	
CSCc1noc(CCc2nc(-c3ccccn3)no2)n1	161248782	UGHXICFUDAGSQF-UHFFFAOYSA-N	303.347	2.163	70	20	DEID	
CCN(Cc1ccccc1)C(=O)CSCCN1CCOCC1	160046374	DLEHFKGIIJKARJ-UHFFFAOYSA-N	322.474	2.101	70	20	DEID	
C[C@@H](CN1CCCCC1)NC(=O)c1cccc(-c2ncn[nH]2)c1	160265850	FFYMIGWXNXPHEX-ZDUSSCGKSA-N	313.405	2.076	70	20	DEID	
CC[C@H](COC)NS(=O)(=O)c1ccc(C)c2ncccc12	160329275	OTBCQXCWFBJHBP-GFCCVEGCSA-N	308.403	2.247	70	20	DEID	
O=C(CCCNC(=O)C1CC1)Nc1cccc(OCCF)c1	160483826	YLDVNYGJKUDDJI-UHFFFAOYSA-N	308.353	2.280	70	20	DEID	
CC1(O)CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1	160614372	HZUVPRYDUBXZQW-UHFFFAOYSA-N	305.399	2.375	70	20	DEID	
CC1(C)C[C@H](Nc2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)CCO1	160657253	MBVXKWUAWNAVJD-SNVBAGLBSA-N	319.409	2.244	70	20	DEID	
CCO[C@H]1C[C@H](N(C)C(=O)NC2CCN(CC)CC2)C12CCC2	160752774	RCCSWWVHLYRUIL-HOTGVXAUSA-N	323.481	2.460	70	20	DEID	
CCN1CCN(C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)CC1	160926405	LHWWWKOPXCFVQD-SJORKVTESA-N	317.433	2.254	70	20	DEID	
CC[C@H](N)C(=O)Nc1cccc(CS(=O)(=O)C(C)(C)C)c1	159834844	RSHVSGJCLSHCLY-ZDUSSCGKSA-N	312.435	2.076	70	20	DEID	
CSc1ccc(S(=O)(=O)NCc2ccccc2CO)cc1	159741323	HYHKSVFUAKDFRC-UHFFFAOYSA-N	323.439	2.379	70	20	DEID	
O=C(Nc1cnn(C(F)F)c1)c1ccc(S(=O)(=O)F)cc1	864239899	LKIXHEQKTXIGNL-UHFFFAOYSA-N	319.264	2.189	70	20	DEID	
CC(C)C[C@@H]1C[C@H]1NC(=O)Cc1ccc(S(=O)(=O)F)cc1	1121218908	BJMVJHVOXALDRL-TZMCWYRMSA-N	313.394	2.438	70	20	DEID	
CC[C@@]1(C)CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1263717026	VECADWLFWLKKAY-ZDUSSCGKSA-N	302.371	2.325	70	20	DEID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N1CCC[C@H](F)C1	1340779593	XSSRUHQUJVEISV-JTQLQIEISA-N	303.330	2.227	70	20	DEID	
O=C(N[C@@H]1CCCC2(CC2)C1)c1cc(S(=O)(=O)F)c[nH]1	1518552196	WHYVVXNTWPBEHR-SECBINFHSA-N	300.355	2.126	70	20	DEID	
O=C(NCCCc1ccccc1)c1cc(S(=O)(=O)F)c[nH]1	1518681104	XTWHHIKKBVSXNE-UHFFFAOYSA-N	310.350	2.036	70	20	DEID	
CCOCCCCNC(=O)c1ccc(C(=O)NC(C)C)cc1	161094521	OXMPIAIUUMNVIH-UHFFFAOYSA-N	306.406	2.371	70	20	DEID	
CN(C[C@@H]1CCCCO1)S(=O)(=O)Cc1c(F)cccc1F	161098003	CHDMGMKEVDCPAM-NSHDSACASA-N	319.373	2.296	70	20	DEID	
COC[C@H](O)CCNC(=O)c1cc(Cl)ccc1OC(C)C	161187942	VZWATKSDEYIMHK-GFCCVEGCSA-N	315.797	2.254	70	20	DEID	
CCC[C@H](C(=O)NC[C@H](c1ccccc1OC)N(C)C)N(C)C	161244162	NIBCFJASEVKGEU-HZPDHXFCSA-N	321.465	2.144	70	20	DEID	
CC[C@@H](C)N(C)CCN[C@@H](C)c1cccc(-n2cnnn2)c1	160059276	JAXFMECMVWSURO-KGLIPLIRSA-N	302.426	2.043	70	20	DEID	
CCN(CCS(C)(=O)=O)C(=O)Nc1ccc(F)cc1C	160124108	YDRWCUFXVOYRGR-UHFFFAOYSA-N	302.371	2.033	70	20	DEID	
CC(C)c1noc(CCC(=O)NCCc2cccc(O)c2)n1	160180934	OVZFNSZATOCPTA-UHFFFAOYSA-N	303.362	2.190	70	20	DEID	
CCOCc1ccccc1CNC(=O)N1CCC[C@](C)(O)C1	160274599	HXDZITHHKHAONB-KRWDZBQOSA-N	306.406	2.280	70	20	DEID	
O=C(NCc1cccc(O)c1)Nc1ccn(CC(F)(F)F)n1	160373799	RGTHCWXCJCYGFS-UHFFFAOYSA-N	314.267	2.473	70	20	DEID	
Cc1nn2c(SCC(=O)CCC3CCCC3)nnc2nc1O	160401945	NAKOTDAJVPGTSR-UHFFFAOYSA-N	321.406	2.165	70	20	DEID	
Cc1ccc(-c2nnc(NC(=O)c3cc(C(C)C)[nH]n3)[nH]2)o1	160429735	OVLSFOHKFYVRFK-UHFFFAOYSA-N	300.322	2.472	70	20	DEID	
Cc1c(/C=C/C(=O)NC2CCN(C(C)(C)C)CC2)cnn1C	160507922	GLWHGMUBVIOGMN-VOTSOKGWSA-N	304.438	2.121	70	20	DEID	
C[C@H](CNC(=O)c1ccc(CN(C)C)cc1)CN1CCCC1	160607421	MPTCKSOMUIFTGR-OAHLLOKOSA-N	303.450	2.210	70	20	DEID	
Cc1nc(Cl)cc(N(C)Cc2nc3ccsc3c(=O)[nH]2)n1	160610706	UEFGGLMSBYUEGH-UHFFFAOYSA-N	321.793	2.373	70	20	DEID	
CCCN(CCO)C(=O)Nc1ccc2c(c1)CCCN2C(C)=O	160873267	RFOACBMHQUXJSL-UHFFFAOYSA-N	319.405	2.222	70	20	DEID	
CCOC(=O)NCCCC(=O)N[C@@H]1CCc2cc(F)ccc21	160844206	VTNPUBHAOMBQMH-CQSZACIVSA-N	308.353	2.456	70	20	DEID	
Cc1onc(-c2ccccn2)c1C(=O)N[C@H](C)[C@@H]1CCOC1	160958020	WNMGEIZZLOJGPB-ZYHUDNBSSA-N	301.346	2.200	70	20	DEID	
C[C@@H](NC(=O)N1CCC[C@@](C)(O)C1)c1nc2ccccc2[nH]1	159912221	XZZLBPXCXSEIGB-BDJLRTHQSA-N	302.378	2.180	70	20	DEID	
O=C(NCCc1cc2ccccc2[nH]1)[C@H]1CCc2cn[nH]c2C1	159598276	PRRYHSDYKAOIJL-ZDUSSCGKSA-N	308.385	2.355	70	20	DEID	
C[C@@H]1CCCC[C@@H]1C(=O)Nc1cncc(OS(=O)(=O)F)c1	2088595709	AIUNOTXEQXDHFX-SKDRFNHKSA-N	316.354	2.440	70	20	DEID	
O=S(=O)(F)c1cccc(NS(=O)(=O)c2ccccc2)c1	490536845	MKSWSIFXCLELPC-UHFFFAOYSA-N	315.347	2.146	70	20	DEID	
O=C(CC[C@@H]1CCOC1)Nc1ccc(S(=O)(=O)F)c(F)c1	857674138	CZMNSVDPVLOOTD-SECBINFHSA-N	319.329	2.239	70	20	DEID	
Cc1ncc(NC(=O)c2ccc(S(=O)(=O)F)cc2)s1	864243036	XWGFZKPJCVSEDC-UHFFFAOYSA-N	300.336	2.362	70	20	DEID	
O=C(CCc1ccc(S(=O)(=O)F)cc1)N(C1CC1)C1CC1	1338978244	YNYYKMXRGSHETE-UHFFFAOYSA-N	311.378	2.431	70	20	DEID	
COC(=O)[C@H](NC[C@H]1CCCN1C(=O)OC(C)(C)C)C(C)C	218059665	CWYUIDSPNDMURG-CHWSQXEVSA-N	314.426	2.173	70	20	DEID	
CCCC(=O)N1CCC[C@H]1C(=O)Nc1ccc(OC)c(N)c1	161010142	FDBUBRGHGUBCOW-ZDUSSCGKSA-N	305.378	2.007	70	20	DEID	
COC(=O)CCNC(=O)CN1c2ccccc2S[C@@H](C)[C@H]1C	161228069	IEQVCUMOYBOMLH-NEPJUHHUSA-N	322.430	2.055	70	20	DEID	
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)c2cscn2)C1	161376316	VKUNLUMJNLDLEO-JTQLQIEISA-N	311.407	2.272	70	20	DEID	
CN(c1ccccc1NC(=O)[C@@H]1CC=CCC1)S(C)(=O)=O	161391556	GLDCVSNPFLBGAX-GFCCVEGCSA-N	308.403	2.377	70	20	DEID	
COc1cccc2c1CC[C@@H]2NC(=O)CCc1nc(C)no1	160051490	HALFNFMNLUTLDY-ZDUSSCGKSA-N	301.346	2.123	70	20	DEID	
CC(C)c1cc(C(=O)NCc2cccc(NC(N)=O)c2)no1	160116635	WHYWPJGTVZFJMT-UHFFFAOYSA-N	302.334	2.219	70	20	DEID	
O=C(NCC1(C2CC2)CC1)c1ccc(C(F)(F)F)[nH]c1=O	160200585	QURRFJSKBCLMNK-UHFFFAOYSA-N	300.280	2.314	70	20	DEID	
COc1c(CNC(=O)NCc2ccc(Cl)cc2)c(C)nn1C	160333274	AIUHCPUZYGSCFJ-UHFFFAOYSA-N	322.796	2.390	70	20	DEID	
CN[C@H]1CCN(C(=O)Cc2csc(Cc3ccccc3)n2)C1	160571720	LXMWLNIZVKSWIP-AWEZNQCLSA-N	315.442	2.097	70	20	DEID	
Cn1c(C(=O)NCc2ccc(Br)cc2)cccc1=O	160651268	FSAWPNDDURZDPC-UHFFFAOYSA-N	321.174	2.078	70	20	DEID	
CCCN(CCO)C(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1	160775739	GKGHVYZKBBEZGY-HZPDHXFCSA-N	306.406	2.321	70	20	DEID	
COC(=O)c1csc(NC(=O)NCC[C@H](O)C(C)C)c1	160887364	IGFLFMHXCINQMJ-JTQLQIEISA-N	300.380	2.063	70	20	DEID	
O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N(C[C@@H]1CCOC1)C1CC1	160982792	IXTXTEGCDGWXIV-HNKHHVNMSA-N	320.433	2.155	70	20	DEID	
CC(=O)N1CC[C@H](NC(=O)c2ccc(F)c(C(F)(F)F)c2)C1	159814568	QGMVKQSCZZXJQJ-JTQLQIEISA-N	318.270	2.195	70	20	DEID	
Cc1nccn1C[C@@H](C)CNC(=O)c1ccc(N(C)C)cc1F	159620168	ITXCZCGMGDXXAK-LBPRGKRZSA-N	318.396	2.463	70	20	DEID	
CCN(CC)C(=O)[C@H]1CSCN1C(=O)c1cc(C)c(C)o1	159870434	SUHNTGUNROVSAE-GFCCVEGCSA-N	310.419	2.280	70	20	DEID	
COc1ccc(C(=O)N[C@@H]2CCN(C(C)=O)C2)c2ccccc12	159694745	YCRDEEHIBGEJGD-CYBMUJFWSA-N	312.369	2.199	70	20	DEID	
Cc1noc(C)c1N(C)C(=O)Nc1ccc(C(N)=O)c(F)c1	159909628	OYANNQKLGNUHRS-UHFFFAOYSA-N	306.297	2.198	70	20	DEID	
COc1cccc(NC(=O)N[C@H]2CCN(c3ccccn3)C2)c1	159726837	OYISZERDQAXADF-AWEZNQCLSA-N	312.373	2.491	70	20	DEID	
Cc1nn(C)c(C)c1CNC(=O)N1CCc2cccc(F)c2C1	159729730	OCLQPIKPUSMYQS-UHFFFAOYSA-N	316.380	2.444	70	20	DEID	
O=C(Nc1ccc(Sc2ccncc2)cc1)C(=O)NC1CC1	159950004	SAXQCWZEPPYCDK-UHFFFAOYSA-N	313.382	2.450	70	20	DEID	
CNS(=O)(=O)c1cccc([C@@H](C)N[C@@H]2CCCSC2)c1	159597215	BNACSXSNQRFQDJ-DGCLKSJQSA-N	314.476	2.141	70	20	DEID	
CCCN(C(=O)Cc1cccc(S(=O)(=O)CC)c1)C1CC1	159790626	XBPPHHCEZDLJAH-UHFFFAOYSA-N	309.431	2.424	70	20	DEID	
O=C(CCc1cccnc1)Nc1ccc(S(=O)(=O)F)cc1	123035776	GJTRQFUBRLXRPL-UHFFFAOYSA-N	308.334	2.311	70	20	DEID	
COc1cc(NC(=O)N2CCc3ncncc3C2)cc(OC)c1	218069111	CSKDTBWAMQVMPN-UHFFFAOYSA-N	314.345	2.084	70	20	DEID	
CC(C)CO[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)F)cc1	460096240	WSBAWTSVYPSAKZ-JTQLQIEISA-N	303.355	2.344	70	20	DEID	
CN(CC(C)(C)CN1CCOCC1)C(=O)c1ccc(Cl)o1	160325643	AASCBMYBUQEBGX-UHFFFAOYSA-N	314.813	2.363	70	20	DEID	
CCCN1CCC(NC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1	161267256	VPEHMYCAJHJOSI-XHSDSOJGSA-N	321.465	2.118	70	20	DEID	
Cc1noc(Cl)c1CC(=O)NCCCOCC(F)(F)F	160021032	VYTIRXUXSFFSQO-UHFFFAOYSA-N	314.691	2.264	70	20	DEID	
Cc1nccc(NC(=O)N[C@@H]2CCc3[nH]ncc3C2)c1Cl	160028638	SHERNHGMTULVBB-SNVBAGLBSA-N	305.769	2.446	70	20	DEID	
CC[C@@H](O)CCNC(=O)NC[C@H](c1ccco1)N1CCCCC1	160691109	SPLKHEFDRYXMTJ-HUUCEWRRSA-N	323.437	2.267	70	20	DEID	
CN(C[C@@H]1CCCOC1)C(=O)Nc1ccn(CC(F)(F)F)n1	160730080	IKZFXONGSYSQFB-JTQLQIEISA-N	320.315	2.336	70	20	DEID	
CCOc1ccccc1CCNC(=O)N1CCCN(CC)CC1	159810393	ZKTSNFYAWLLRPO-UHFFFAOYSA-N	319.449	2.365	70	20	DEID	
CC(C)(C)OC(=O)NCC(=O)N[C@H]1CCOC2(CCCC2)C1	159845345	VIMCOHNNLDVEAU-LBPRGKRZSA-N	312.410	2.119	70	20	DEID	
CCOCC1(C(=O)Nc2cccc(S(=O)(=O)F)c2)CC1	281870664	OTGPLGIMSTUIST-UHFFFAOYSA-N	301.339	2.100	70	20	DEID	
CC1(C)CC(CNC(=O)Cc2ccc(S(=O)(=O)F)cc2)C1	1262791908	JONBOWKRFRFCAL-UHFFFAOYSA-N	313.394	2.440	70	20	DEID	
CC(C)(CNC(=O)c1ccc(OCC(N)=O)cc1)C1CCCC1	161110277	GLXKWHVIVYBAJU-UHFFFAOYSA-N	318.417	2.497	70	20	DEID	
CN1CCO[C@H](C(=O)NC2(c3ccc(F)cc3F)CCCC2)C1	161143659	SUAMRSUWKUCGQP-HNNXBMFYSA-N	324.371	2.181	70	20	DEID	
Cc1cc(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)ncn1	161457483	HMFMUSPFSAFUHA-KRWDZBQOSA-N	310.401	2.352	70	20	DEID	
CSC[C@@](C)(O)CNC(=O)Nc1ccn(CCC(C)C)n1	160012951	PYKNHDKRXWNMQR-AWEZNQCLSA-N	314.455	2.165	70	20	DEID	
CCS(=O)(=O)CC(=O)O[C@@H](C)c1cc(C)ccc1OC	160160499	QRHVKYHTXPIULG-NSHDSACASA-N	300.376	2.043	70	20	DEID	
Cc1nc(CC(=O)NCc2cccc3c2OCO3)c(C)s1	160300889	PEVMBRHIAPTHHA-UHFFFAOYSA-N	304.371	2.348	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)[C@@H]1Cc2cc(C)c(C)cc2O1	160326208	IYCVDUOVWUXOKN-WFASDCNBSA-N	305.374	2.065	70	20	DEID	
CCOCCCNC(=O)Nc1ccc(O[C@H]2CCOC2)cc1	160334657	VWEIWVFHTKTJEC-HNNXBMFYSA-N	308.378	2.402	70	20	DEID	
O=C(NCC1(O)CCCCCC1)N[C@H]1CCO[C@@H](C2CC2)C1	160606261	KVSVRMCEBTWFDT-LSDHHAIUSA-N	310.438	2.329	70	20	DEID	
COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NCC(C)(C)O	160633617	ZESMYXMZMMRQFY-SNVBAGLBSA-N	314.813	2.426	70	20	DEID	
O=C1CCCC[C@@H]1[C@H]1COCCN1C(=O)/C=C/c1ccco1	160642586	BHPZBFFMVHOHRR-FHFZEBMASA-N	303.358	2.280	70	20	DEID	
C[C@@H]1CCC[C@@](CNC(=O)N2CCC[C@@](C)(O)C2)(N(C)C)C1	160785295	QIPDMBMPBRLBAZ-DJIMGWMZSA-N	311.470	2.053	70	20	DEID	
CCOC(=O)c1ccc2c(c1)CCCN2C(=O)[C@@H]1CCCO1	160854720	CZZVSRFFPNRPSE-HNNXBMFYSA-N	303.358	2.322	70	20	DEID	
CCc1c(C(=O)N[C@@H]2CCCc3occc32)[nH]c(C)c1C(N)=O	160921494	CHODXIDBBIKWLH-GFCCVEGCSA-N	315.373	2.385	70	20	DEID	
O=C(c1ccc(OC(F)(F)F)cc1)N1CC[C@]2(CCNC2)C1	159401251	LVNFYKKBUIQGKX-AWEZNQCLSA-N	314.307	2.411	70	20	DEID	
O=C1[C@H](SCCN2CCOCC2)CCCN1c1ccccc1	159807865	CMVLPFLNVCCPQM-MRXNPFEDSA-N	320.458	2.247	70	20	DEID	
CC[C@@]1(C)C[C@H]1C(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1	159844093	QEOIOQOITUWKRF-WFASDCNBSA-N	310.419	2.278	70	20	DEID	
O=C(CCC1CCCC1)NCC(=O)N[C@@H]1CCC[C@H]2OCC[C@H]12	159916995	KWNXLJMMTBYUOI-BZUAXINKSA-N	322.449	2.147	70	20	DEID	
CCc1cccc(S(=O)(=O)NC[C@H](O)C2CCCCC2)c1	159534892	LECYMVSBNPFNRE-INIZCTEOSA-N	311.447	2.469	70	20	DEID	
Cc1ccc(NCc2ccc(CO)o2)cc1NS(C)(=O)=O	159790279	KTEBOCORHGZAFK-UHFFFAOYSA-N	310.375	2.064	70	20	DEID	
Cc1ccc(S(=O)(=O)N2CCO[C@H](C)[C@H]2C)cc1Cl	216797726	VKUFYBAXMDIBDR-GHMZBOCLSA-N	303.811	2.446	70	20	DEID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N[C@H](C#N)C(C)(C)C	1337368492	GTUZBHHHGXNLHC-GFCCVEGCSA-N	312.366	2.321	70	20	DEID	
COC(=O)c1ccc(C(=O)N[C@H]2CCOC3(CCCC3)C2)cn1	161349517	INLJSQHWTCQKPD-ZDUSSCGKSA-N	318.373	2.090	70	20	DEID	
CC(=O)NC1CCC(N[C@@H](C)[C@H](O)c2ccc(F)cc2)CC1	161495705	MYLNSHLOQIDWFU-QANALZHHSA-N	308.397	2.285	70	20	DEID	
CCc1n[nH]c(=O)c(CNC(=O)N(CC(C)C)C2CC2)c1CC	160310890	RPFPBZSXPBVTGS-UHFFFAOYSA-N	320.437	2.225	70	20	DEID	
CCN(CCNC(=O)N1CCC[C@@](C)(O)C1)c1ccccc1C	160380459	ZCNQGZUDIKOQGB-GOSISDBHSA-N	319.449	2.378	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)[C@H](C)Oc1ccc(F)c(F)c1	160756257	LZIUFCAZLNINJI-ZJUUUORDSA-N	315.316	2.190	70	20	DEID	
CN(CCCNC(=O)N1CCC2(CCC2)C1)CC(F)(F)F	160769191	KRTMHNPJKFKPOZ-UHFFFAOYSA-N	307.360	2.456	70	20	DEID	
C[C@H](CC(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccncc1	160895795	NFERHEZKSNPKSY-OCCSQVGLSA-N	303.406	2.091	70	20	DEID	
CCOCCN(CC)C(=O)Nc1cc(C(=O)OC)cs1	160946805	QOSXQYOXJCDRGI-UHFFFAOYSA-N	300.380	2.425	70	20	DEID	
CC[C@@H](C)[C@@H](C)NC(=O)N1CCN(Cc2ccccn2)CC1	159619022	KXGPDXBPLFGDIY-HUUCEWRRSA-N	304.438	2.343	70	20	DEID	
COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H](C[C@@H]1CCOC1)c1ccccc1	159438782	DHRXUNRLCMZTCN-HNKHHVNMSA-N	317.385	2.080	70	20	DEID	
Cc1cc(C(=O)N(C)CC(C)(C)O)nn1-c1ccc(F)cc1F	159633465	WIBYTAYMFPIFJS-UHFFFAOYSA-N	323.343	2.302	70	20	DEID	
CC(C)[C@H](CNC(=O)N[C@@H]1CCO[C@H](C2CC2)C1)N1CCCC1	159660670	APJYXVHLYDGYOV-IKGGRYGDSA-N	323.481	2.364	70	20	DEID	
CC1CCN([C@H](C)CNC(=O)N(C)CC2CCOCC2)CC1	159785456	MYXGWPZRBJAAQL-OAHLLOKOSA-N	311.470	2.175	70	20	DEID	
COC[C@H](O)CCNC(=O)CSCc1ccc(Cl)cc1	161494804	YSNDFLJFIIEAQB-CYBMUJFWSA-N	317.838	2.087	70	20	DEID	
CNS(=O)(=O)c1ccc(CN2C[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2)cc1	216633989	BOQXFHIDFVLDSU-NXNVCVFFSA-N	320.458	2.073	70	20	DEID	
O=C(OC[C@H]1CCC[C@H](O)C1)c1ccc(S(=O)(=O)F)cc1	490536350	JDBCVJYTTDPJLG-JQWIXIFHSA-N	316.350	2.053	70	20	DEID	
O=C(OC[C@@H]1CCCCO1)c1ccc(S(=O)(=O)F)cc1	490537828	VURHVFDORYZISC-NSHDSACASA-N	302.323	2.071	70	20	DEID	
CCc1nc(C)c(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)s1	1349533399	RYCGXBCRFMXWES-UHFFFAOYSA-N	317.367	2.253	70	20	DEID	
Cn1ccc(CNC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1	218175659	SHYMIGOZMKOETP-CYBMUJFWSA-N	308.426	2.157	70	20	DEID	
CCN(CC(=O)Nc1ccc(C)c(F)c1)Cc1cnn(C)c1	161078380	OYQYWIHPURNKEM-UHFFFAOYSA-N	304.369	2.328	70	20	DEID	
COC[C@H](O)CCNC(=O)C(C)(C)Oc1cccc(Cl)c1	161244086	ZOZFDVCMTHBABE-GFCCVEGCSA-N	315.797	2.011	70	20	DEID	
Cc1conc1NC(=O)C(=O)NCC(C)(C)c1cccc(F)c1	161271225	AVLUVKXIRBOXTF-UHFFFAOYSA-N	319.336	2.155	70	20	DEID	
O=C(NCc1ccc(COC2CCOCC2)cc1)c1cn[nH]c1	161331748	GPKNSDOGTGAHCY-UHFFFAOYSA-N	315.373	2.035	70	20	DEID	
CN(C)c1ccc(C(=O)N[C@@H]2CCC[C@@H](N(C)C)C2)c(F)c1	161497037	MXUYRRGNXNNAQW-CHWSQXEVSA-N	307.413	2.494	70	20	DEID	
Cc1noc(C)c1C[C@@H](C)NC(=O)[C@@H]1NCCc2ccccc21	160224770	SAWKJRBPDADZLF-PIGZYNQJSA-N	313.401	2.226	70	20	DEID	
CCCN1CCC(N(C)C(=O)N[C@H]2CCO[C@@H](C3CC3)C2)CC1	160239500	RXYDUACLIJLSBJ-DOTOQJQBSA-N	323.481	2.460	70	20	DEID	
COc1ccccc1OCCC(=O)N(C)Cc1cccn1C	160431182	FMJVZOVBYJCFJB-UHFFFAOYSA-N	302.374	2.461	70	20	DEID	
CC[C@H](NC(=O)[C@H](C)NC(=O)c1ccoc1)c1c(C)noc1C	160547474	NINBIQPIQDWFHV-GWCFXTLKSA-N	319.361	2.270	70	20	DEID	
CCCn1c(C)nnc1CN(CCO)[C@H]1CCc2ccccc21	160687030	LVTQSMXRXCYFPN-KRWDZBQOSA-N	314.433	2.478	70	20	DEID	
CC[C@@H]1CCC[C@H]1NC(=O)CCOc1cccc(C(N)=O)c1	159622347	DKQZVSLDIRYKPN-IUODEOHRSA-N	304.390	2.249	70	20	DEID	
O=C(NC[C@@H]1CC=CCC1)N1CCN(Cc2ccccn2)CC1	159708357	PIOQOWBSZGYDBA-MRXNPFEDSA-N	314.433	2.265	70	20	DEID	
FC(F)(F)COCCNC1CCN(Cc2cccnc2)CC1	159373824	NUMYRKNAHPTOFJ-UHFFFAOYSA-N	317.355	2.215	70	20	DEID	
CCCN1CC[C@@H](CNC(=O)NC[C@@H](C)c2c(C)noc2C)C1	159764874	RWROUCODUSZAJA-DOMZBBRYSA-N	322.453	2.426	70	20	DEID	
CC(C)OCCNC[C@@H](O)COCc1ccccc1Cl	160196094	OCYKDVANXCIDKJ-CQSZACIVSA-N	301.814	2.232	70	20	DEID	
CCCCCOCC(=O)Nc1cccc(S(=O)(=O)F)c1	460090170	HMTUWCXFUXYIJW-UHFFFAOYSA-N	303.355	2.490	70	20	DEID	
CO[C@@H](C(=O)Nc1ccc(C)c(S(=O)(=O)F)c1)C(C)C	857675556	RMPGNMBKBZBMRF-GFCCVEGCSA-N	303.355	2.263	70	20	DEID	
Cc1ccc(NC(=O)c2cc3n(n2)CCC3)cc1S(=O)(=O)F	857674427	XJHXQYWZKNXRCR-UHFFFAOYSA-N	323.349	2.048	70	20	DEID	
C[C@@H]1CC(NC(=O)c2cccc(S(=O)(=O)F)c2)C[C@@H](C)O1	1120943868	ALODRCMHQCCRMK-NXEZZACHSA-N	315.366	2.031	70	20	DEID	
CN(Cc1ccccc1F)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1120866683	WKMMDCMUNHTPJV-UHFFFAOYSA-N	314.313	2.084	70	20	DEID	
CC(C)OCCNC(=O)c1cc(S(=O)(=O)F)ccc1Cl	1337374007	OELXOBQUAVOVJN-UHFFFAOYSA-N	323.773	2.153	70	20	DEID	
C[C@H](NC(=O)c1cccc(S(=O)(=O)F)c1)c1ccccn1	1262732458	IHCPYJYRLLLBLX-JTQLQIEISA-N	308.334	2.231	70	20	DEID	
C[C@@H](C#N)N(C(=O)CCc1ccc(S(=O)(=O)F)cc1)C1CC1	1340775452	BKNWYZRDKYPJFR-NSHDSACASA-N	324.377	2.180	70	20	DEID	
CC(C)C[C@H](CO)NC(=O)[C@@H]1COc2ccc(Cl)cc2C1	161056986	HFJSDUQVIGUPDS-GXTWGEPZSA-N	311.809	2.414	70	20	DEID	
COC[C@H](O)CCNC(=O)CCOc1cc(C)ccc1C(C)C	161255822	PVVINSRVVOKODD-OAHLLOKOSA-N	323.433	2.401	70	20	DEID	
CC(C)[C@@H]1CCCN(C(=O)N[C@H]2CCc3ncnn3C2)CC1	161352396	PFZRPZLIDNLARP-KGLIPLIRSA-N	305.426	2.061	70	20	DEID	
CCc1ccccc1C(=O)NCCCN1C[C@H](C)O[C@H](C)C1	161373586	QLVMJCAJADWOGP-GASCZTMLSA-N	304.434	2.478	70	20	DEID	
Cc1ccc2nc(SCCn3ccnc3)n(C)c(=O)c2c1	160093092	MHGWIRIBPWXKCG-UHFFFAOYSA-N	300.387	2.231	70	20	DEID	
CC(C)(CO)CN[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1	160127387	WBYFQUDXXKVQOJ-CHWSQXEVSA-N	300.443	2.430	70	20	DEID	
C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)[C@@H]1CCCCO1	160162140	DSEINPYYSAFSJZ-BBRMVZONSA-N	314.389	2.356	70	20	DEID	
CCOC(=O)c1cnc(SC[C@H]2CCC(C)(C)O2)nc1N	160460886	QWXRMNQCUPFBIT-SECBINFHSA-N	311.407	2.285	70	20	DEID	
Cc1cccc(CCNC(=O)c2csc(S(C)(=O)=O)c2)c1	160572352	ORQWWYCLJBCCFU-UHFFFAOYSA-N	323.439	2.433	70	20	DEID	
COc1ccc(/C=C/C(=O)N[C@H](CCO)C(C)C)c(OC)c1	160698028	HEHGYFYMNBNUNP-PMGBHYCQSA-N	307.390	2.240	70	20	DEID	
Cc1cccc(-n2cc(C(=O)N(C)C[C@H]3CCCCO3)nn2)c1	160840399	RNKAGINHLWZLLD-OAHLLOKOSA-N	314.389	2.217	70	20	DEID	
CCN(C[C@H]1CCCO1)C(=O)CCNC(=O)C1CCCCC1	160955182	LXDGMPFGCQHTEI-OAHLLOKOSA-N	310.438	2.101	70	20	DEID	
CN(C)[C@@H](CNC(=O)NOCc1cccnc1)c1cccs1	160999225	PGTGEZKRXFBJRW-ZDUSSCGKSA-N	320.418	2.177	70	20	DEID	
C[C@@H](CNC(=O)CN)Sc1ccc(Br)cc1	159653375	IJRJPHWPNUFAKL-QMMMGPOBSA-N	303.225	2.005	70	20	DEID	
O=C(CCCNC(=O)c1cccnc1)Nc1ncc(Cl)s1	159729070	BCGWPDZFGOXHFI-UHFFFAOYSA-N	324.793	2.340	70	20	DEID	
CN(C)C(=O)CNCc1ccc(Br)c2cccnc12	160310195	LZMDKOZOPFECKJ-UHFFFAOYSA-N	322.206	2.175	70	20	DEID	
C[C@@H](O)CN1CCC(CN(C)c2nc3ccccc3o2)CC1	216931575	WCYWIGWMVCBAAN-CYBMUJFWSA-N	303.406	2.357	70	20	DEID	
C/C=C/c1ccc(OCC(=O)N2CCC[C@@H]2CNC)c(OC)c1	161247855	WSJHSZZYMMEJES-CSPWOOARSA-N	318.417	2.318	70	20	DEID	
CC(C)(C)NC(=O)c1ccccc1NC(=O)C[C@H]1COC(=O)C1	161342094	HACFABGCCOSKGK-LLVKDONJSA-N	318.373	2.107	70	20	DEID	
Cc1noc(Cl)c1CC(=O)N1CCC(n2cccn2)CC1	161465463	MHFHRVXILRPRFX-UHFFFAOYSA-N	308.769	2.239	70	20	DEID	
O=S(=O)(c1ccccc1)N1CCC[C@@H](N2CCCC2)CC1	160165864	ZVSKXOJXYCDKKO-OAHLLOKOSA-N	308.447	2.326	70	20	DEID	
C[C@@H](CCO)NC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1	160202961	RKSNXOQYXHWTIK-GJZGRUSLSA-N	319.449	2.282	70	20	DEID	
CCCn1c(C)nnc1CN1CCN(C)CC12CCCCC2	160688427	BIWBRCNJMOFSKT-UHFFFAOYSA-N	305.470	2.447	70	20	DEID	
O=C(CCCc1nc(C2CC2)no1)NCCc1cccnc1	159403711	XIRVPKBLWLNKCH-UHFFFAOYSA-N	300.362	2.024	70	20	DEID	
CCOCCC1(CNC(=O)[C@@H](C(C)C)N2CCCC2=O)CCC1	159640686	WSTHPKRBRYEOHI-MRXNPFEDSA-N	324.465	2.347	70	20	DEID	
CN1CCc2ccc(C(=O)N3CC[C@H]4[C@H](CCCN4C)C3)cc21	159452540	NMNZWTXEEDPHOS-SJORKVTESA-N	313.445	2.235	70	20	DEID	
CCO[C@H](CCNC(=O)c1ccc2[nH]c(=O)n(C)c2c1)C(C)C	159654434	LRBFRIBUCPVUKH-OAHLLOKOSA-N	319.405	2.048	70	20	DEID	
CCN(CC)[C@H](C(=O)N1C[C@@H]2CCC[C@H](C1)N2)c1ccccc1	159896632	SUSCEFVAKACQID-KSZLIROESA-N	315.461	2.422	70	20	DEID	
C[C@H](c1ccccc1)N(C)C(=O)CSCCN1CCOCC1	159924894	CAZORQGDYQKFJP-OAHLLOKOSA-N	322.474	2.271	70	20	DEID	
CCC1(CC)[C@H](NC(=O)NCc2cccnc2OC)C[C@H]1OC	159563361	BGWJCFYPRJYFLX-ZIAGYGMSSA-N	321.421	2.483	70	20	DEID	
CC(C)C(=O)NCCNC(=O)c1cncc(-c2ccccc2)c1	159792368	OYMIZPWVXSLKLS-UHFFFAOYSA-N	311.385	2.251	70	20	DEID	
Cc1cc(C(=O)Nc2ccc(S(=O)(=O)F)cc2)ns1	460088548	COAVFAZDZQRAMI-UHFFFAOYSA-N	300.336	2.362	70	20	DEID	
C[C@@H]1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H](C)C1	1348695870	IJKDMBCXCYRGIK-FXPVBKGRSA-N	302.371	2.227	70	20	DEID	
Cc1cc(C(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)ncn1	161273866	FNXWHBZMHPHXEJ-CYBMUJFWSA-N	322.372	2.199	70	20	DEID	
CNC(=O)[C@H]1CCCCN1C(=O)[C@H]1C[C@H]1c1sccc1C	161306689	STZKRHIMEXMSTL-FRRDWIJNSA-N	306.431	2.287	70	20	DEID	
O=C(NCCCN1CCOCC1)c1cc(F)c(Cl)cc1F	161366756	GUQPLKDSMHYOMC-UHFFFAOYSA-N	318.751	2.070	70	20	DEID	
CN(CC(C)(C)CN1CCOCC1)C(=O)CCc1ccccc1	160057172	ZKHLQSUKFGKKGZ-UHFFFAOYSA-N	318.461	2.436	70	20	DEID	
COCCOCCN(Cc1ccccc1)C(=O)c1cccn1C	160198503	HEKQAIBVLNVTLF-UHFFFAOYSA-N	316.401	2.331	70	20	DEID	
CCc1ccc(/C=C/C(=O)N2CCSC[C@H]2CC(=O)OC)o1	160332163	MEMLGODHDUMKOU-NNNHXZLVSA-N	323.414	2.362	70	20	DEID	
Cc1nc2ccccn2c1CN1CCNC(=O)[C@H]1c1ccccc1	160537418	UDDSDPUGOQYURL-GOSISDBHSA-N	320.396	2.316	70	20	DEID	
CCCCOCC(=O)Nc1ccc(CS(C)(=O)=O)c(F)c1	160640239	UGMHLMWTFJWKAA-UHFFFAOYSA-N	317.382	2.126	70	20	DEID	
O=C1CC[C@@H]2CN(C(=O)CCCc3cccs3)CC[C@@H]2N1	160664372	DLPSCFABAXQHEM-OCCSQVGLSA-N	306.431	2.198	70	20	DEID	
CC(C)CSCCCNC(=O)c1cccc(OCC(N)=O)c1	160706475	UJVAQZVVFVDCNN-UHFFFAOYSA-N	324.446	2.060	70	20	DEID	
CCCN(CC(=O)Nc1ccccc1OC)Cc1cc[nH]n1	160901634	JYCGMIHAVZFKOF-UHFFFAOYSA-N	302.378	2.269	70	20	DEID	
CN(C)C(=O)CN(Cc1cnc2ccccn12)c1ccccc1	160911569	LZQOIWBPLAANRR-UHFFFAOYSA-N	308.385	2.429	70	20	DEID	
COC(=O)[C@H](C)CS[C@H]1CCCN(CC(F)(F)F)C1=O	159814550	GCOKFSABQMZVEY-BDAKNGLRSA-N	313.341	2.082	70	20	DEID	
O=C(Cc1cn2ccccc2n1)N[C@H]1CCOC2(CCCC2)C1	159429603	JWLLXNLPOABDLQ-AWEZNQCLSA-N	313.401	2.485	70	20	DEID	
Cc1ccc(C)c(NC(=O)N(CCS(C)(=O)=O)C2CC2)c1	159692898	DNXVOPRXXYWSPX-UHFFFAOYSA-N	310.419	2.344	70	20	DEID	
O=C(N[C@@H]1CCOC2(CCCC2)C1)c1ccc2[nH]nnc2c1	159701114	BCLWSBDQMOBCBH-GFCCVEGCSA-N	300.362	2.180	70	20	DEID	
COc1ccc(COCCC(=O)NCC2(N)CCCCC2)cc1	159545757	FKNJMIUYUSWYPP-UHFFFAOYSA-N	320.433	2.380	70	20	DEID	
COC[C@H](C)[C@H](C)C(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	857673147	SKPCRNDHZBGYFL-IUCAKERBSA-N	321.345	2.341	70	20	DEID	
Cc1ccc(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)c(C)c1	1339471802	HZXNKSPUFDBLMF-UHFFFAOYSA-N	310.350	2.220	70	20	DEID	
Cc1ccc(NC(=O)C(=O)N[C@@H](C)C2CCOCC2)c(C)c1	161049392	WIHQGDJXTMCREN-ZDUSSCGKSA-N	304.390	2.173	70	20	DEID	
CCC(CC)(CN)C(=O)N[C@H]1C[C@@H](C)N(c2ccccc2)C1=O	161246570	GOXCMJWDYHNADG-HIFRSBDPSA-N	317.433	2.062	70	20	DEID	
CCC(CC)(CN)C(=O)NC[C@H](C[C@H](C)O)c1ccccc1	161260084	QRYJXPNEIIMONM-HOCLYGCPSA-N	306.450	2.422	70	20	DEID	
CC(=O)Nc1ccc(CCNC(=O)c2ccc(O)nc2C)cc1	161406938	LZFCBBPOIYNSKC-UHFFFAOYSA-N	313.357	2.027	70	20	DEID	
CC[C@@](C)(O)CNS(=O)(=O)c1ccc(OC)c2ccccc12	160302224	WNGLVNKDROGYBV-MRXNPFEDSA-N	323.414	2.288	70	20	DEID	
CCCCN(CCO)C(=O)Nc1ccc(O[C@H]2CCOC2)cc1	160374794	ZTCIMQIUCRYCDK-INIZCTEOSA-N	322.405	2.481	70	20	DEID	
CC(C)CN1CCC[C@@H]1CNC(=O)Cc1ccc2c(c1)OCO2	160393476	WAQADHHECKMVNZ-OAHLLOKOSA-N	318.417	2.194	70	20	DEID	
Cc1conc1NC(=O)C(=O)NCc1ccccc1OC(C)C	160663439	WTDAMXIQIDVZFX-UHFFFAOYSA-N	317.345	2.025	70	20	DEID	
Cc1nn(C)c(=O)c(-c2nc(-c3ccc(F)c(F)c3)no2)c1C	160822409	UOLXEFIQYONDOX-UHFFFAOYSA-N	318.283	2.392	70	20	DEID	
CCNC(=O)c1ccc(C)c(NC(=O)N[C@@]2(C)CCOC2)c1	160862257	RCCCODCDWMFILK-INIZCTEOSA-N	305.378	2.045	70	20	DEID	
Cc1nn(C)c(C)c1CNC(=O)NC[C@@H](C)c1c(C)noc1C	159621107	HAIIUIOXCHCJIC-SECBINFHSA-N	319.409	2.245	70	20	DEID	
Cc1ccc(CNC(=O)NC[C@](C)(O)c2ccc(F)cc2)cn1	159865973	LEAVZGJHPAGEOI-KRWDZBQOSA-N	317.364	2.236	70	20	DEID	
COC[C@H](NC(=O)C[C@H]1CSCCS1)c1ccco1	159905800	YDCUFGFDSYCXSK-QWRGUYRKSA-N	301.433	2.322	70	20	DEID	
NC(=O)c1ccc(C(=O)N[C@H]2CCOC3(CCCC3)C2)s1	159514890	QHLJKCYQDCNSKM-JTQLQIEISA-N	308.403	2.069	70	20	DEID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N[C@H]1CS[C@@H](C)C1	1338197366	BVURWVWLYBDRIJ-VHSXEESVSA-N	317.407	2.277	70	20	DEID	
O=S(=O)(F)c1ccc(NC[C@H]2CCN2C2CCCC2)nc1	1550633526	CLQPKUTYQOGPTR-GFCCVEGCSA-N	313.398	2.169	70	20	DEID	
CCN(C)CCNC(=O)c1c(C)nc(C2CC2)nc1SC	161059910	KGMIIZCIPGSPJX-UHFFFAOYSA-N	308.451	2.066	70	20	DEID	
CC[C@@H](C)N(CC(=O)OC(C)(C)C)S(=O)(=O)CC(C)C	161170323	LQCOWECPDRXZMJ-GFCCVEGCSA-N	307.456	2.414	70	20	DEID	
CCNc1ccc(Cl)cc1C(=O)NC[C@]1(OC)CCOC1	161243042	WQEGGUGBZSRXQH-OAHLLOKOSA-N	312.797	2.307	70	20	DEID	
CC(C)CCn1ccc(NC(=O)N[C@@H](C)C(=O)NC(C)(C)C)n1	161482609	VLDAZTYNGFMOFC-LBPRGKRZSA-N	323.441	2.354	70	20	DEID	
CCN1CCC[C@@H]1CNC(=O)C(F)(F)c1ccc(OC)cc1	160332452	XIDAUIROWXPPQY-CYBMUJFWSA-N	312.360	2.388	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)Cc1cccc2cccnc12	160338377	VCYPDHYQAZIHKX-LBPRGKRZSA-N	300.358	2.235	70	20	DEID	
CCNc1nc(C(=O)NCc2cccc(C(=O)OC)c2)cs1	160392353	URLZTGXYGMDAHV-UHFFFAOYSA-N	319.386	2.292	70	20	DEID	
CCN1CCC(NC(=O)Nc2ccn(CC(F)(F)F)n2)CC1	160426246	DFUQZBKLUZBGMO-UHFFFAOYSA-N	319.331	2.051	70	20	DEID	
COC(=O)[C@@H](C)CNC(=O)COc1cc(C)c(Cl)c(C)c1	160460470	KYZXTXNELOZDBT-NSHDSACASA-N	313.781	2.261	70	20	DEID	
CS[C@H](C)CNC(=O)Nc1ccc(-c2ncn(C)n2)cc1	160562675	LPCGAILYZZMNCF-SNVBAGLBSA-N	305.407	2.355	70	20	DEID	
CCCC1(CNC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)CC1	160573726	ZWJZZLJDMZPJEQ-SNVBAGLBSA-N	306.328	2.094	70	20	DEID	
NC(=O)CC1CCN(C(=O)[C@H]2C[C@H]2c2cccc(F)c2F)CC1	160873092	GXHXOKZRVMOVJR-STQMWFEESA-N	322.355	2.182	70	20	DEID	
CCCS(=O)(=O)Nc1cccc(N[C@H](C)C(=O)OCC)c1	160968991	XRVKVUZJPRTRDR-LLVKDONJSA-N	314.407	2.202	70	20	DEID	
CCc1nc(CN2CCN(C(=O)[C@@H]3CC3(C)C)CC2)cs1	160999637	FHVSGQFCPFTNGL-ZDUSSCGKSA-N	307.463	2.396	70	20	DEID	
COCCC1(C(=O)NC[C@H](Cc2ccccc2)N(C)C)CCC1	159633696	VNTSHFHDFUTCGQ-KRWDZBQOSA-N	318.461	2.482	70	20	DEID	
C[C@@H]1C[C@H](NC(=O)Nc2cnn(C)c2)CN1Cc1ccccc1	159881493	MUJMPNLPHSIWPM-HIFRSBDPSA-N	313.405	2.205	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)C(C)(C)c1ccc(OC)cc1	159553617	NLIKMWANXBHAGI-LBPRGKRZSA-N	307.390	2.431	70	20	DEID	
CC(C)OCCNC(=O)NCCCc1nc2ccccc2[nH]1	159569752	KPGCBMCETTXHRO-UHFFFAOYSA-N	304.394	2.220	70	20	DEID	
CC(C)(C)OCC(=O)Nc1ccc(F)c(CS(=O)(=O)F)c1	876319344	SZAPHRQTDOTACU-UHFFFAOYSA-N	321.345	2.379	70	20	DEID	
CC[C@@](C)(C#N)NC(=O)CCc1ccc(S(=O)(=O)F)cc1	1340579197	KBCPOAZCMONMJZ-AWEZNQCLSA-N	312.366	2.086	70	20	DEID	
O=C(NC1(CS(=O)(=O)Cl)CC1)OCc1ccccc1	219102274	TXVWUOSLBQJVGE-UHFFFAOYSA-N	303.767	2.014	70	20	DEID	
N[C@H]1CCC[C@@H](NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)C1	161112816	VHGDUMCEVOTSGE-QWHCGFSZSA-N	302.353	2.216	70	20	DEID	
N[C@H]1CC[C@@H](C(=O)N2CC[C@@H](COCc3ccccc3)C2)C1	161323324	JOYIZHUQZNVUOT-ZACQAIPSSA-N	302.418	2.179	70	20	DEID	
CSCc1ccc(NC(=O)C(=O)NCCn2cccc2)cc1	160156877	FFCORVHOGHMEDI-UHFFFAOYSA-N	317.414	2.106	70	20	DEID	
COC(=O)[C@H]1CCCN(C(=O)NCCc2ccc(C)cc2)C1	160179488	MYXZAXBFPANEKY-HNNXBMFYSA-N	304.390	2.132	70	20	DEID	
C[C@H]1CN(C(=O)NCCn2ccnc2)C[C@@H](c2ccsc2)O1	160188728	MTPCPIGTNXNZFD-JSGCOSHPSA-N	320.418	2.116	70	20	DEID	
CCCN1CCC(N(C)C(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)CC1	160239363	RXYDUACLIJLSBJ-NVXWUHKLSA-N	323.481	2.460	70	20	DEID	
CC(C)CCC1CCN(C(=O)N[C@H]2CCS(=O)(=O)C2)CC1	160249871	XQKABIOJEKXBHI-AWEZNQCLSA-N	316.467	2.031	70	20	DEID	
CSC[C@@](C)(O)CNC(=O)N[C@@H]1CCC[C@H](SC)C1	160277685	BOGTUCMSZJXAQX-MDZLAQPJSA-N	306.497	2.074	70	20	DEID	
COc1ccc(OC)c(CCC(=O)N[C@@H](CCO)C(C)C)c1	160506764	JQODTGSSIHQEKK-HNNXBMFYSA-N	309.406	2.160	70	20	DEID	
CC1(C)CC[C@H](CSc2nnnn2-c2ccc(O)cc2)O1	160771826	XTBMKBJGIJNCDJ-GFCCVEGCSA-N	306.391	2.418	70	20	DEID	
C[C@H](CC(=O)N1CC[C@H](Cc2cnn(C)c2)C1)c1ccncc1	160976944	CJWHSVGZPREQQT-HUUCEWRRSA-N	312.417	2.400	70	20	DEID	
CCO[C@@H](CCNC(=O)c1cccc2[nH]c(=O)oc12)C(C)C	159651789	KGIFVXZFCXDZAV-ZDUSSCGKSA-N	306.362	2.302	70	20	DEID	
CC(C)CNC(=O)[C@@H](C)N1CCO[C@]2(CCc3ccccc32)C1	159663748	GPALLVHADADFGO-DNVCBOLYSA-N	316.445	2.321	70	20	DEID	
CCN(C)C(=O)CCN1CCO[C@@]2(CCc3ccccc32)C1	159678014	QVOFCPRGXBRLSY-SFHVURJKSA-N	302.418	2.029	70	20	DEID	
Cn1cccc(NC(=O)Cc2csc(-c3ccoc3)n2)c1=O	159919709	MNBKBZCEGAOZDZ-UHFFFAOYSA-N	315.354	2.283	70	20	DEID	
NC(=O)COc1ccc(NC(=O)NCC2(C3CC3)CCC2)cc1	159721632	UBTIUMKFROEZJM-UHFFFAOYSA-N	317.389	2.253	70	20	DEID	
CC(C)OC(=O)CCCNC(=O)NCc1ccc(O)c(F)c1	159724973	UVUBYRDLLDBSSK-UHFFFAOYSA-N	312.341	2.062	70	20	DEID	
Cn1ccc(NC(=O)Nc2ccccc2SCCC(N)=O)n1	159548976	DIOZWKLXFXOZHS-UHFFFAOYSA-N	319.390	2.032	70	20	DEID	
CN(Cc1nc(CCc2ccccc2)no1)C[C@H]1CCC[C@@H]1O	159590372	LBZXYIYUEGZRJE-CVEARBPZSA-N	315.417	2.448	70	20	DEID	
COC(C)(C)CNC[C@@H](O)COCc1ccccc1Cl	160238425	POEPUSJPUCVLLH-CYBMUJFWSA-N	301.814	2.232	70	20	DEID	
CCn1cc(S(=O)(=O)Nc2ccc(Cl)cc2O)nc1C	160400685	BXYDGQCDKVROQG-UHFFFAOYSA-N	315.782	2.371	70	20	DEID	
CSCC[C@H](C)N(C)S(=O)(=O)c1cc(N)ccc1C	161031134	NMRDUGFRAOFKEN-NSHDSACASA-N	302.465	2.339	70	20	DEID	
CC(C)C[C@@](C)(C#N)NC(=O)c1cccc(S(=O)(=O)F)c1	1121032059	NQLHDYLYRQYXKQ-AWEZNQCLSA-N	312.366	2.403	70	20	DEID	
CCSC1(CNC(=O)c2cccc(S(=O)(=O)F)c2)CC1	1121094228	AOXTUJSMWUZING-UHFFFAOYSA-N	317.407	2.360	70	20	DEID	
CC(=O)c1ccc(OCCCC(=O)N[C@H]2CCC[C@@H](N)C2)cc1	161172808	MFCKIPSQAYTQSA-CVEARBPZSA-N	318.417	2.434	70	20	DEID	
C[C@H](C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)C1CCOCC1	160539877	YEWYTUQTSUQPNL-WDEREUQCSA-N	318.373	2.407	70	20	DEID	
CC(=O)Nc1ccc(O)c(C(=O)N[C@H]2[C@@H]3Cc4ccccc4[C@H]23)c1	160618585	QBACLAPWCRXYRL-NJAFHUGGSA-N	322.364	2.419	70	20	DEID	
CC[C@@H](O)CCNC(=O)NC[C@@H](c1ccco1)N1CCCCC1	160690810	SPLKHEFDRYXMTJ-CABCVRRESA-N	323.437	2.267	70	20	DEID	
COC(=O)c1csc(NC(=O)N[C@@H](C)c2cnn(C)c2)c1	160960871	IANDOLXGVHAHGM-QMMMGPOBSA-N	308.363	2.151	70	20	DEID	
O=C(CNC[C@@H]1CCCO1)N[C@@H]1CCC[C@@H]1Cc1ccccc1	159447915	LJALSEIQRHEYBB-FGTMMUONSA-N	316.445	2.283	70	20	DEID	
Cc1cc(NC(=O)[C@H](C)NC(=O)CC2CCCCC2)c[nH]c1=O	159647190	RJQCQWBPWPXGAO-LBPRGKRZSA-N	319.405	2.097	70	20	DEID	
CC(C)(C)n1cc(C(=O)NCCO)c(-c2ccc(F)cc2F)n1	159363390	HBQZLOJGGHBGQF-UHFFFAOYSA-N	323.343	2.305	70	20	DEID	
COCCN(C)CCN[C@@H](C)c1cnn(Cc2ccccc2)c1	159401745	PKLJFYXHVKUBFY-INIZCTEOSA-N	316.449	2.160	70	20	DEID	
CC1(C)CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H]2CCC[C@@H]21	1348011403	FIYBGJNSDFNBSW-CMPLNLGQSA-N	314.382	2.324	70	20	DEID	
CC(C)n1nccc1C(=O)NCCN1CCc2sccc2C1	161260955	WEMAAJMZZJQVER-UHFFFAOYSA-N	318.446	2.314	70	20	DEID	
CC[C@H](NC(=O)C(=O)Nc1nocc1C)c1ccc(F)cc1F	161319715	SQIYSYSSMOPWFT-LBPRGKRZSA-N	323.299	2.467	70	20	DEID	
COCCOc1cc(C)ccc1NC(=O)N[C@@]1(C)CCOC1	161385478	QETQJPGLGNROMU-INIZCTEOSA-N	308.378	2.321	70	20	DEID	
CCCCn1ncc(NS(=O)(=O)N2CCCCC2)c1C	160152792	WYMBSKUEICNPMM-UHFFFAOYSA-N	300.428	2.134	70	20	DEID	
CCOCCC1(CNC(=O)CCCc2nc(C)no2)CCC1	160256008	LEPUJYBJQGVQGD-UHFFFAOYSA-N	309.410	2.414	70	20	DEID	
CC[C@H](COC)NS(=O)(=O)c1cccc2c1N=S=N2	160283537	LGLHIMAXPNDMJW-MRVPVSSYSA-N	301.393	2.116	70	20	DEID	
CC[C@@H](COC)NS(=O)(=O)c1cccc2cc(C)cnc12	160328846	TWGYMBWFEPCGKK-ZDUSSCGKSA-N	308.403	2.247	70	20	DEID	
CN[C@@H]1CCN(C(=O)CCCc2ncc(-c3ccccc3)o2)C1	160485583	SZUUWHJESSJGRK-OAHLLOKOSA-N	313.401	2.485	70	20	DEID	
CCOCCC1(CNC(=O)CCNC(=O)C(C)(C)C)CCC1	160529561	SGBNBLIYBZLMTJ-UHFFFAOYSA-N	312.454	2.252	70	20	DEID	
O=C(NCC1(O)CCCCCC1)N[C@H]1CCO[C@H](C2CC2)C1	160605978	KVSVRMCEBTWFDT-GJZGRUSLSA-N	310.438	2.329	70	20	DEID	
CO[C@@H]1CCC[C@H]1NC(=O)NC[C@@H]1CCN(c2ccccc2)C1	160716069	DPBXFENHCXPHMR-USXIJHARSA-N	317.433	2.380	70	20	DEID	
CC(C)c1cc(=O)n(CC(=O)N(CC(F)(F)F)C(C)C)cn1	160816127	YKOVIFAAGXGNKJ-UHFFFAOYSA-N	319.327	2.166	70	20	DEID	
COC[C@@H](O)CCNC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C	160905288	SHVZQVOSWWVOJB-CABCVRRESA-N	323.433	2.399	70	20	DEID	
COC(=O)N(C)CCCC(=O)NCCc1cc2ccccc2[nH]1	159704985	WBGQXZZDHWJIML-UHFFFAOYSA-N	317.389	2.305	70	20	DEID	
NC1(CNC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)CCCCC1	159514691	GBMFQWIPVYWRKM-ZDUSSCGKSA-N	319.380	2.029	70	20	DEID	
Cc1ccccc1CNC(=O)[C@H](C)SCCN1CCOCC1	159911771	WRJYUWWDBBAXFT-HNNXBMFYSA-N	322.474	2.065	70	20	DEID	
CCc1noc(C)c1NC(=O)Nc1ccnn1C[C@H]1CCOC1	159936863	OZPWSVALWXPQBP-LLVKDONJSA-N	319.365	2.422	70	20	DEID	
CCC[C@H](N)C(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O	159746608	GGOJZYNJVUGMCF-GXTWGEPZSA-N	323.824	2.031	70	20	DEID	
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)c2ccncc2F)C1	161375005	MEUHSQKQKSCPCL-NSHDSACASA-N	323.368	2.350	70	20	DEID	
CO[C@H](C(=O)Nc1ccc(C)c(S(=O)(=O)F)c1)C(C)C	857675557	RMPGNMBKBZBMRF-LBPRGKRZSA-N	303.355	2.263	70	20	DEID	
O=C(CSc1ccc(C(F)(F)F)cn1)N[C@@H]1CCC[C@H]1O	161164248	WZSHEDPWSDDPAD-NXEZZACHSA-N	320.336	2.222	70	20	DEID	
Cc1conc1NC(=O)C(=O)NCc1ccc2ccccc2c1	161288157	AMJPUZGOAGRBMC-UHFFFAOYSA-N	309.325	2.391	70	20	DEID	
COc1ccc(NC(=O)[C@@H]2C(=O)N(CC(C)C)N=C2C)cc1	160150654	ACEMBWUPIMBRDB-CQSZACIVSA-N	303.362	2.124	70	20	DEID	
CC[C@@H](NC(=O)CCNC(=O)CC(C)C)c1c(C)noc1C	160417717	FFRXXZZBKIPKMO-CYBMUJFWSA-N	309.410	2.411	70	20	DEID	
CCc1nc(CN[C@@H](C)c2cc(OC)c(OC)cc2F)n[nH]1	160433297	RAIHXHGRKFXXQN-VIFPVBQESA-N	308.357	2.374	70	20	DEID	
CC(C)c1ccc(C(=O)NC[C@@H](C(C)C)N2CCOCC2)cn1	160626341	YMCMKVQOVKVRSL-KRWDZBQOSA-N	319.449	2.292	70	20	DEID	
C[C@@H]1CC[C@@H](NC(=O)NCCC(=O)N(C)C)c2ccccc21	159647173	UUVHUAAEWROMHY-IUODEOHRSA-N	303.406	2.403	70	20	DEID	
CC(C)COCCCNC(=O)Nc1ccnn1C[C@H]1CCOC1	159494066	LHPGGAPTDYHCQT-CQSZACIVSA-N	324.425	2.104	70	20	DEID	
Cc1noc(CSc2nnc(COc3ccccc3)n2C)n1	159393701	XQMZTWXUTVQKHR-UHFFFAOYSA-N	317.374	2.378	70	20	DEID	
COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(Cl)o1	218049895	RDUOYYIHQGQLQT-LLVKDONJSA-N	307.733	2.447	70	20	DEID	
CC1(C)C[C@]1(C#N)NC(=O)CCc1ccc(S(=O)(=O)F)cc1	1338935386	YMSVXTCWQJSLAO-OAHLLOKOSA-N	324.377	2.086	70	20	DEID	
CC(C)C1(CNC(=O)Cc2ccc(S(=O)(=O)F)cc2)CC1	1349434435	HVELAJJOAOZDAF-UHFFFAOYSA-N	313.394	2.440	70	20	DEID	
NC1CCC(NC(=O)Cc2ccccc2Br)CC1	217268326	GYZHYHPRSZPOPW-UHFFFAOYSA-N	311.223	2.378	70	20	DEID	
O=S(=O)(F)c1ccc(N[C@@H](C2CCC2)[C@@H]2CCCO2)nc1	1550637718	RIAOFRVIQDOKQC-JSGCOSHPSA-N	314.382	2.499	70	20	DEID	
CC(C)C(=O)Nc1ccc(C(=O)N[C@H]2CCC[C@H](N)C2)cc1	161114607	QYYZYUVKEOKCMV-ZFWWWQNUSA-N	303.406	2.281	70	20	DEID	
CCC[C@H](CCO)CNC(=O)CCn1cnc2ccccc21	161162299	LATSIYZHXJGABC-CQSZACIVSA-N	303.406	2.341	70	20	DEID	
COC(=O)c1ccc(/C=C/C(=O)N2CCOC[C@@H]2C2CC2)cc1	161267555	SDOVSCFWKXRGSD-VCIFKONDSA-N	315.369	2.124	70	20	DEID	
Cc1ccccc1[C@@]1(C)NC(=O)N(Cc2nccs2)C1=O	161317013	PWFQGRAZJSHXJX-OAHLLOKOSA-N	301.371	2.419	70	20	DEID	
CCOCCC1(CNC(=O)[C@H](CC)N2CCCC2=O)CCC1	161342382	IUPLBYYVOIRSKM-AWEZNQCLSA-N	310.438	2.101	70	20	DEID	
CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1CCCO1	161407764	RJDPJUITNFWPLQ-QWHCGFSZSA-N	312.410	2.071	70	20	DEID	
CC[C@@H](Oc1cccc(C)c1)C(=O)NCCSCCCO	161475413	UVZMGBDZANYKSM-OAHLLOKOSA-N	311.447	2.384	70	20	DEID	
Cc1cc(C(=O)N2CCOCC3(CCOCC3)C2)cc(Cl)n1	160508576	ASQSOCUSRRUKNO-UHFFFAOYSA-N	324.808	2.313	70	20	DEID	
CCOC(=O)CCCS(=O)(=O)N1CCC2(CCCC2)CC1	160593449	HKVVDJQMOQHJHF-UHFFFAOYSA-N	317.451	2.316	70	20	DEID	
Cc1nn(C)c(C)c1C(=O)C(=O)NCCCSCC(C)C	160762477	SSRUVYCRGMZDQI-UHFFFAOYSA-N	311.451	2.115	70	20	DEID	
COC[C@@H]1CCCN(C(=O)N[C@H]2CCN(C3CCCC3)C2)C1	160828436	PGYWILBDDALKGU-CABCVRRESA-N	309.454	2.071	70	20	DEID	
CCCOc1cccc(CC(=O)N(CC)CC(=O)NCC)c1	160881746	YPUVLEQLAXJLFU-UHFFFAOYSA-N	306.406	2.003	70	20	DEID	
CCCCN(CCO)C(=O)NC[C@H]1CCCCN1CC(C)C	160909482	TVEDCWLPGBGJOM-MRXNPFEDSA-N	313.486	2.301	70	20	DEID	
C[C@H](CC(=O)c1cccs1)NC(=O)c1ccc(C(N)=O)cc1	160917973	FLTNWXXJMIPBEW-SNVBAGLBSA-N	316.382	2.238	70	20	DEID	
CC[C@H](C)[C@@H](C)NC(=O)N1CCN(Cc2ccccn2)CC1	159619168	KXGPDXBPLFGDIY-LSDHHAIUSA-N	304.438	2.343	70	20	DEID	
COC(=O)c1[nH]c(C)c(C(=O)NCCc2ccc(C)nc2)c1C	159813036	BGNBMXLIUNSEIK-UHFFFAOYSA-N	315.373	2.094	70	20	DEID	
CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCC[C@H]2CC)c1	159645731	NWGAKJIXPYZHFB-DOMZBBRYSA-N	324.446	2.293	70	20	DEID	
CCN(C(=O)c1cnc2c(c1)ncn2C)c1nc(C)cs1	159904211	VFBRXYCQZYJEPT-UHFFFAOYSA-N	301.375	2.400	70	20	DEID	
CCCCc1cc(NS(=O)(=O)c2ccc3c(c2)CCO3)[nH]n1	159972366	DQQOPPQFRPCRQY-UHFFFAOYSA-N	321.402	2.488	70	20	DEID	
Cc1ncsc1NC(=O)c1ccc(S(=O)(=O)F)cc1	864241184	MLEBHWINCXLJGI-UHFFFAOYSA-N	300.336	2.362	70	20	DEID	
O=C(N[C@@H]1C[C@H]1Cc1ccccc1)c1cc(S(=O)(=O)F)c[nH]1	1338391253	YDORHDDKNOXBSA-DGCLKSJQSA-N	322.361	2.034	70	20	DEID	
CCn1ccnc1CNC1CCN(C(=O)OC(C)(C)C)CC1	217799215	SECXRIBBKXNSOS-UHFFFAOYSA-N	308.426	2.392	70	20	DEID	
COc1cc(C(=O)NC[C@H](C)CCO)ccc1OC(F)F	161004829	KGBWOAXLSOEDKV-SECBINFHSA-N	303.305	2.045	70	20	DEID	
CCc1nn(C)c(CC)c1CNC(=O)NCCCC(C)(C)CO	161496365	KLOQMNAGQDRFAJ-UHFFFAOYSA-N	324.469	2.143	70	20	DEID	
O=C(CCCNC(=O)c1cccnc1)Nc1cc(F)ccc1O	160007181	IULUUMNKVCFXQF-UHFFFAOYSA-N	317.320	2.075	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)c1cc(-c2ccccc2)[nH]n1	160267647	SLWBVZBDGAUOKB-LLVKDONJSA-N	301.346	2.148	70	20	DEID	
Cc1ccc(NC(=O)C(=O)N[C@@H]2C[C@H]3C[C@@H]2[C@H]2CCC[C@@H]23)cn1	160332715	GYAXUSOIKMBHFY-YMILTQATSA-N	313.401	2.269	70	20	DEID	
COCCN(Cc1ccco1)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1	160428357	QNYUSGGALQCXCY-ZBFHGGJFSA-N	322.405	2.395	70	20	DEID	
CN1CCN(CCCN(C)C(=O)C2CCC(C)(C)CC2)CC1	160523930	DYQAYTAPBFJCBN-UHFFFAOYSA-N	309.498	2.299	70	20	DEID	
COC[C@H](NC(=O)Nc1ccc([S@@](C)=O)c(F)c1)C1CC1	160577265	DHUAUCUYUCBSPE-QKVFXAPYSA-N	314.382	2.110	70	20	DEID	
COc1ccccc1-c1noc(-c2c(C)c(C)nn(C)c2=O)n1	160789245	CGSQEEBNLNMGGO-UHFFFAOYSA-N	312.329	2.123	70	20	DEID	
Cc1ccsc1CNC(=O)Cn1cnc(C(C)C)cc1=O	160878034	RSWRBLRWCZEYOH-UHFFFAOYSA-N	305.403	2.053	70	20	DEID	
C[C@@]1(CNC(=O)Nc2ccnn2C[C@H]2CCOC2)CCCS1	159807436	ZBDFKYCEOLRENX-DOMZBBRYSA-N	324.450	2.327	70	20	DEID	
COc1ccc(NC(=O)[C@H](C)Nc2cc(C)n(C)n2)cc1OC	159630559	WZKUMNWXJBKTLK-NSHDSACASA-N	318.377	2.185	70	20	DEID	
CC1CCN(CCNC(=O)CCCc2nc(C3CC3)no2)CC1	159878361	QAJSSKPKUZIBLW-UHFFFAOYSA-N	320.437	2.118	70	20	DEID	
CCN(CCNC(=O)N1CCC[C@](C)(O)C1)c1cccc(C)c1	159878400	NGLUOVSVCCGIOQ-SFHVURJKSA-N	319.449	2.378	70	20	DEID	
CC1(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCC(F)(F)CC1	1123819021	GNPZJOBUFZMRAY-UHFFFAOYSA-N	324.324	2.371	70	20	DEID	
CN1CCN(C(=O)Cc2ccc(F)cc2Cl)C(C)(C)C1=O	161140180	VQJMMQJMQZPZRL-UHFFFAOYSA-N	312.772	2.101	70	20	DEID	
CC(C)n1nccc1C(=O)Nc1cccc(-c2noc(=O)[nH]2)c1	161397495	KEWYPXOGZMITAB-UHFFFAOYSA-N	313.317	2.060	70	20	DEID	
C[C@@H](CO)N(C)C(=O)[C@@H](C)Oc1ccccc1C(F)(F)F	160367755	ZAUDIBARCBMWOG-VHSXEESVSA-N	305.296	2.312	70	20	DEID	
CCc1cc(C(=O)NC[C@H](O)CN2CCCCC2)sc1C	160502680	WZZAIFSIKFODFB-AWEZNQCLSA-N	310.463	2.196	70	20	DEID	
CC(C)[C@@H](CCO)NC(=O)CC[C@H]1Cc2ccccc2NC1=O	160505615	AMJKSFITIWWDQJ-LSDHHAIUSA-N	318.417	2.101	70	20	DEID	
COCCOCCC(=O)NCCc1csc(C(C)(C)C)n1	160635067	RLPQYPUPDPSEHE-UHFFFAOYSA-N	314.451	2.152	70	20	DEID	
Cc1cccc(C(C)(C)CNC(=O)C(=O)Nc2nocc2C)c1	160837142	JIHMLCZXRRVUAR-UHFFFAOYSA-N	315.373	2.324	70	20	DEID	
C[C@@H](CC(=O)c1cccs1)NC(=O)CCn1ccccc1=O	160837434	RBTKWWBXFLACAU-LBPRGKRZSA-N	318.398	2.078	70	20	DEID	
O=C(Nc1cccc(F)n1)c1cccc(N2CCOC2=O)c1	160866201	UEKRSFPIGIAKIV-UHFFFAOYSA-N	301.277	2.430	70	20	DEID	
CN(Cc1cccc(N(C)C)c1)C(=O)c1cnc2c(c1)ncn2C	160906160	OEIISTWRJMCFGV-UHFFFAOYSA-N	323.400	2.307	70	20	DEID	
Cc1nnc(CSc2nnc(C)n2Cc2ccccc2)n1C	160971796	PPVCUOVOTQTYNZ-UHFFFAOYSA-N	314.418	2.364	70	20	DEID	
C[C@@H]1CN(C)CC[C@@H]1NC[C@@H](C)N1CCc2ccccc2C1	159807831	JSRJNHYNNBIDJU-MDZRGWNJSA-N	301.478	2.363	70	20	DEID	
CC(C)N1C[C@H](C)[C@@H](NC(=O)Cc2ccc(O)cc2Cl)C1	159474494	QDRYTECVKVPXKX-NHYWBVRUSA-N	310.825	2.433	70	20	DEID	
COc1ccc(CNC(=O)N(C)C[C@@H]2CCC[C@@H]2O)c(OC)c1	159699970	DCCKTZSWXKHAMO-ZFWWWQNUSA-N	322.405	2.006	70	20	DEID	
CC(C)[C@@H](O)CNC(=O)[C@H]1CCCN(Cc2ccccc2)C1	159706124	FBDFNXAFXKSMMO-IRXDYDNUSA-N	304.434	2.032	70	20	DEID	
CC(C)OCCS(=O)(=O)NC1CCC(OC(C)C)CC1	159384277	CXHIQTJFGYXUMM-UHFFFAOYSA-N	307.456	2.067	70	20	DEID	
C[C@@H](CNc1ccccc1)NC(=O)c1ncn(-c2ccccc2)n1	159794427	YSQVOQUBBVIJLA-AWEZNQCLSA-N	321.384	2.498	70	20	DEID	
O=[N+]([O-])c1ccc(N2CC[C@@H](CF)C2)c(CS(=O)(=O)F)c1	882838588	OTXJMUDDGYAGCS-VIFPVBQESA-N	320.317	2.190	70	20	DEID	
C#C[C@H](CCC)NC(=O)CCc1ccc(S(=O)(=O)F)cc1	1337475211	QDWMYLZULHCXDX-CYBMUJFWSA-N	311.378	2.196	70	20	DEID	
COCc1ccccc1CNC(=O)NOCc1cccnc1	161069255	JRYBMZWDYYOJPX-UHFFFAOYSA-N	301.346	2.159	70	20	DEID	
CCCc1cc(N(CCCO)CC(C)(C)C)n2ncnc2n1	161292295	DVDJETGSCPJEFZ-UHFFFAOYSA-N	305.426	2.312	70	20	DEID	
N[C@H]1CCC[C@H](NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)C1	161310626	WUMSBWMRYZXMMZ-KBPBESRZSA-N	311.385	2.042	70	20	DEID	
COCCCNC(=O)C1CCN(C(=O)[C@@H]2CCC[C@@H](C)C2)CC1	161366620	WBXVRPRMETUGKM-GDBMZVCRSA-N	324.465	2.204	70	20	DEID	
CCCCOCCNS(=O)(=O)Cc1c(F)cccc1F	161433612	VQNSWNYXIBTTSO-UHFFFAOYSA-N	307.362	2.201	70	20	DEID	
COc1ccc(F)cc1[C@H](C)NC(=O)c1cccc(=O)n1C	160083688	OPTNAOJPFAQBHL-JTQLQIEISA-N	304.321	2.024	70	20	DEID	
COc1cc(C2(C(=O)NC[C@H](C3CC3)N(C)C)CC2)ccc1C	160108307	HUKYZCUHIOLFNU-MRXNPFEDSA-N	316.445	2.492	70	20	DEID	
CCn1cnnc1C1CCN(Cc2cnc3ccccn23)CC1	160146466	XPJFIUGKGKQWTC-UHFFFAOYSA-N	310.405	2.325	70	20	DEID	
C[C@H]1Oc2ccccc2N(CC(=O)NCC2(C3CC3)CC2)C1=O	160198425	DMDXPQRTHXGPCB-GFCCVEGCSA-N	314.385	2.107	70	20	DEID	
COCCC(=O)N1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1	160234738	SBWCOXXIHUTWOZ-CYBMUJFWSA-N	322.405	2.143	70	20	DEID	
COc1ccc(N(C)C(=O)CCN2CCCC2=O)cc1Cl	160244176	CBAWRXXWWISUNU-UHFFFAOYSA-N	310.781	2.324	70	20	DEID	
O=C(NC[C@@H]1CCCS1)Nc1ccn(CC(F)(F)F)n1	160445600	QEFAXMSIAQHKQF-QMMMGPOBSA-N	308.329	2.463	70	20	DEID	
Cc1ccc(C(=O)N[C@H](CO)CC(C)C)c(Br)n1	160711954	IABYWTIJLUAFQG-JTQLQIEISA-N	315.211	2.289	70	20	DEID	
C[C@@H]1CN(C)[C@H](C)C[C@H]1NCc1ccccc1CS(C)(=O)=O	160940666	RVVLLKFOQNRURP-CKEIUWERSA-N	324.490	2.050	70	20	DEID	
COc1ccccc1[C@@H](C)N[C@H](C)C(=O)NCC(F)(F)F	159839170	DKHJWCOFCNNDRR-NXEZZACHSA-N	304.312	2.413	70	20	DEID	
CCc1noc(C)c1CNc1ccc(C(=O)N[C@@H](C)CO)cc1	159443624	YLRVXJZZGFBGFD-NSHDSACASA-N	317.389	2.268	70	20	DEID	
O=C(C[C@H]1CCCCO1)Nc1cccn(CC(F)(F)F)c1=O	159853565	GNBZYNSVJUQHTJ-SNVBAGLBSA-N	318.295	2.308	70	20	DEID	
Cc1nc(Cl)ccc1C(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1	159856334	NFYCUIVOVQNXOD-JTQLQIEISA-N	309.797	2.173	70	20	DEID	
CN(CCCNC(=O)N1CCC[C@](C)(O)C1)c1ccccc1	159874501	KVZKMATWKUVJMT-KRWDZBQOSA-N	305.422	2.069	70	20	DEID	
C[C@@H]1CSc2ccccc2N(C(=O)C2=NN(C)C(=O)CC2)C1	159517269	KPOQRXSBAPLRGG-NSHDSACASA-N	317.414	2.370	70	20	DEID	
CCN1CCCN(C(=O)N[C@@H](COC)c2ccc(C)o2)CC1	159939052	VJCXZZMQOOYGQV-AWEZNQCLSA-N	309.410	2.013	70	20	DEID	
CC1(C)CCCC[C@H]1NC(=O)N1CCC[C@H]1C(=O)NC1CC1	159788403	WNGDUHBOAQMVAT-UONOGXRCSA-N	307.438	2.408	70	20	DEID	
CCC[C@H](OC)C(=O)Nc1ccc(F)c(CS(=O)(=O)F)c1	876319766	LNTZOLFPOKYJMV-LBPRGKRZSA-N	321.345	2.379	70	20	DEID	
CN(CC(C)(C)C)C(=O)c1cccc(C(=O)Nc2nnc[nH]2)c1	161025945	RKCRWPUKZPCRDL-UHFFFAOYSA-N	315.377	2.175	70	20	DEID	
Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)[C@@H]2CSCN2)cc1	161098713	RKWPCVMKYQXHMS-HRCADAONSA-N	320.458	2.241	70	20	DEID	
Cc1conc1NC(=O)C(=O)N[C@@H](c1ncccc1C)C(C)C	161211399	ARODGVZDUPKTQI-GFCCVEGCSA-N	316.361	2.138	70	20	DEID	
CC(=O)N[C@@H](C(=O)N(C)C1C2CC3CC(C2)CC1C3)C(C)C	160118379	RCHHHPWPMSVYSS-OBYDGYHJSA-N	306.450	2.430	70	20	DEID	
CC(C)c1nc(S(=O)(=O)N[C@H](C)c2cccc(O)c2)c[nH]1	160183223	KXZSIGFTCNNMCB-SNVBAGLBSA-N	309.391	2.278	70	20	DEID	
C[C@@H](NC(=O)c1ccco1)C(=O)N[C@@H]1CCOC2(CCCC2)C1	160183543	DCPMCXMRPMOVAZ-CHWSQXEVSA-N	320.389	2.006	70	20	DEID	
Cc1c(C(=O)NCCc2cccc(O)c2)cnn1-c1ccccn1	160199935	SEUQSVRNPQRWMI-UHFFFAOYSA-N	322.368	2.254	70	20	DEID	
CN(C)c1ccc(C(=O)Nc2nnc(C(F)(F)F)[nH]2)c(F)c1	160504111	XIFBITFNDIPEEC-UHFFFAOYSA-N	317.246	2.281	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)C1(c2ccc(C)c(OC)c2)CC1	160601797	MSOVRCGEPZWRDA-CYBMUJFWSA-N	319.401	2.493	70	20	DEID	
C[C@@H]1CN(C(=O)NCc2ccc(-n3cncn3)cc2)CC[C@H]1C	160655994	WXKYDRYGJZNTQZ-ZIAGYGMSSA-N	313.405	2.455	70	20	DEID	
CCCn1c(C)nnc1CN1CCN([C@@H](C)C(F)(F)F)CC1	160683862	VCEIYHGGZCMFPE-NSHDSACASA-N	319.375	2.065	70	20	DEID	
CCN(Cc1ccccc1NC(=O)N[C@@]1(C)CCOC1)C(C)=O	160723222	CYYUTLZMWHLPTI-KRWDZBQOSA-N	319.405	2.356	70	20	DEID	
C[C@]1(CNC(=O)Nc2ccnn2C[C@H]2CCOC2)CCCS1	159807307	ZBDFKYCEOLRENX-IUODEOHRSA-N	324.450	2.327	70	20	DEID	
O=S(=O)(CCCF)N[C@@H](C[C@H]1CCOC1)c1ccccc1	159818052	QSEMAIICLNFTFV-HIFRSBDPSA-N	315.410	2.433	70	20	DEID	
CN(C)CCN(Cc1ccco1)C(=O)NCCc1cscn1	159364391	PTXIGWZEHMCWQC-UHFFFAOYSA-N	322.434	2.052	70	20	DEID	
COC(=O)c1oc([C@H](C)N2CCC(CC(N)=O)CC2)cc1C	159753472	OQQBETYEDVFBNG-NSHDSACASA-N	308.378	2.023	70	20	DEID	
Cc1ccc(F)c(S(=O)(=O)NC[C@@H](O)C2CCCCC2)c1	159567519	XNVOKZXFOYTYRK-CQSZACIVSA-N	315.410	2.354	70	20	DEID	
O=C(c1cccnc1Br)N1CCOC[C@@H]1C1CC1	161353037	PSZKTTXUUDAVMU-LLVKDONJSA-N	311.179	2.095	70	20	DEID	
C[C@H]1CC[C@H](COC(=O)c2ccc(S(=O)(=O)F)cc2)O1	490537746	VFQJLEOXMKYAFI-GXSJLCMTSA-N	302.323	2.069	70	20	DEID	
O=C(N[C@H]1CCc2ncnn2C1)N1CCC[C@H]1C1CCCCC1	161031355	DJEBPZZBLRXEBG-GJZGRUSLSA-N	317.437	2.347	70	20	DEID	
Cc1nn(-c2ccccc2)c(C)c1C(=O)N[C@H]1CCC[C@@H](N)C1	161163703	WADGWYSANRMNLV-CABCVRRESA-N	312.417	2.489	70	20	DEID	
CN(C)C(=O)c1cc(NC(=O)C2(N)CCCCC2)ccc1F	161410419	JKADDSSGWPGEFL-UHFFFAOYSA-N	307.369	2.128	70	20	DEID	
CC(=O)NC1CCC(N[C@H](C)[C@H](O)c2ccc(F)cc2)CC1	161495809	MYLNSHLOQIDWFU-YZWQVAQESA-N	308.397	2.285	70	20	DEID	
C[C@H]1CCCC[C@@H]1N(C)C(=O)CSCCN1CCOCC1	160023976	QQUUMCXMQQAEFE-GJZGRUSLSA-N	314.495	2.089	70	20	DEID	
Cc1c(C(=O)N2CC[C@@H](N)C2)cnn1-c1ccccc1Cl	160235791	ZDRDVYLGMWQFEY-LLVKDONJSA-N	304.781	2.007	70	20	DEID	
Cc1ccc([C@@H](C)N(C)C(=O)C(=O)Nc2nocc2C)cc1	160394778	KBMZXGJBEFULGN-GFCCVEGCSA-N	301.346	2.450	70	20	DEID	
CCS(=O)(=O)c1ccccc1C(=O)N(C)Cc1cccn1C	160609678	DGKBBCRPQPZQQH-UHFFFAOYSA-N	320.414	2.091	70	20	DEID	
CN(Cc1cccc(N(C)C)c1)C(=O)CN(C)[C@@H]1CCSC1	160613634	RUWSVQDGEYSNMS-MRXNPFEDSA-N	321.490	2.148	70	20	DEID	
O=C1CC[C@H]2CN(C(=O)c3ccc(Cl)cc3F)CC[C@H]2N1	160639611	PRMDGZKTGKEWKR-TVQRCGJNSA-N	310.756	2.220	70	20	DEID	
COC(=O)NCCCC(=O)N[C@H]1CCOC2(CCCCC2)C1	160719005	KCCDOENSMOCDGH-ZDUSSCGKSA-N	312.410	2.121	70	20	DEID	
COc1ccc(OC)c(CCC(=O)NOCc2cccnc2)c1	160806085	WKZABRQWXCDTFR-UHFFFAOYSA-N	316.357	2.279	70	20	DEID	
COC(=O)N(C)CCCC(=O)N(C)c1ccc(OC)c(F)c1	159451616	PSBKVYOMWJNXRP-UHFFFAOYSA-N	312.341	2.276	70	20	DEID	
C[C@@H](CNC(=O)[C@@H]1CCn2ccnc2C1)N1CCc2ccccc21	159664481	ADVBXLCMFGWUFV-GOEBONIOSA-N	324.428	2.013	70	20	DEID	
CC(=O)N1CC[C@H](NC(=O)c2cncc(-c3ccccc3)c2)C1	159664655	NLIYZAZKMVJDRF-KRWDZBQOSA-N	309.369	2.099	70	20	DEID	
Cc1ccc2c(CC(=O)N3CCCC[C@@H]3C(N)=O)coc2c1	159865256	ZMAAGUZMSUPRTE-CQSZACIVSA-N	300.358	2.150	70	20	DEID	
CSCCCCC(=O)N(C)CC(C)(C)CN1CCOCC1	159880960	JGBXXUAVFNYLTO-UHFFFAOYSA-N	316.511	2.337	70	20	DEID	
CC(C)[C@H](O)CNC(=O)[C@H]1CCCN(Cc2ccccc2)C1	159705986	FBDFNXAFXKSMMO-DLBZAZTESA-N	304.434	2.032	70	20	DEID	
O=S(=O)(Cl)CCCOc1cncc(Br)c1	112155645	BYIUFVPFZRPADY-UHFFFAOYSA-N	314.588	2.182	70	20	DEID	
CSC[C@@](C)(O)CNC(=O)CCOc1ccc(C)c(C)c1	217622809	BOJULOCWQMQXOS-INIZCTEOSA-N	311.447	2.303	70	20	DEID	
CC[C@H]1CC[C@@H](C(=O)Nc2ccc(S(=O)(=O)F)cc2)O1	274977878	OZBBIDPESNKFPZ-JQWIXIFHSA-N	301.339	2.241	70	20	DEID	
C[C@@H]1CCCC[C@H]1OCCNC(=O)NOCc1cccnc1	161083792	BZHVTDSCNQWUDV-UKRRQHHQSA-N	307.394	2.408	70	20	DEID	
CC(=O)NC1CCC(NCCN2CCc3ccccc3C2)CC1	161252390	NUWQTPMLSBJFRA-UHFFFAOYSA-N	315.461	2.082	70	20	DEID	
Cc1conc1NC(=O)C(=O)NC1CCC(C(F)(F)F)CC1	160125771	WLUKDQQYJSNUPX-UHFFFAOYSA-N	319.283	2.159	70	20	DEID	
C[C@@H](CNC(=O)c1cnc(C(F)(F)F)nc1)c1nccs1	160522470	XHBHRMQAQUSILB-ZETCQYMHSA-N	316.308	2.485	70	20	DEID	
COC[C@@H](O)CNC(=O)Nc1ccc(COC2CCCC2)cc1	160538936	BWQVCYNMKUGAJR-HNNXBMFYSA-N	322.405	2.275	70	20	DEID	
CN[C@@H]1CCN(C(=O)CCc2nc(C)c(-c3ccccc3)o2)C1	160581624	VOJFDOOENDVORD-OAHLLOKOSA-N	313.401	2.403	70	20	DEID	
C[C@@H](CC(=O)c1cccs1)NC(=O)CCCC(=O)N(C)C	160947157	XVYRDAFUHVJMRJ-NSHDSACASA-N	310.419	2.084	70	20	DEID	
COc1ccc(C(C)=O)cc1CC(=O)N(C)Cc1cccn1C	160943204	BXANKEHNLQBJMV-UHFFFAOYSA-N	314.385	2.437	70	20	DEID	
CC[C@@H](NS(=O)(=O)C[C@@H]1CCOC1)c1ccc(F)cc1F	159611733	VPFNDYSIZBSFCM-QMTHXVAHSA-N	319.373	2.372	70	20	DEID	
CCC[C@@H]1CN(C(=O)NCCc2cn3ccccc3n2)CCO1	159464728	GRPPLGRHPMSFHF-OAHLLOKOSA-N	316.405	2.087	70	20	DEID	
CCc1nn(C)c(CC)c1S(=O)(=O)Nc1ccc(C)nc1	159702020	OQNDAEIHNRIWBY-UHFFFAOYSA-N	308.407	2.049	70	20	DEID	
CC1CCC(NC(=O)[C@H](C)SCCN2CCOCC2)CC1	159956141	ZHNDMUVMYYMMPR-SLTAFYQDSA-N	314.495	2.135	70	20	DEID	
Cc1cc(NC(=O)[C@@H](CC(C)C)N2CCCCC2=O)c[nH]c1=O	159578571	MNEQTQZTSUDEEM-CQSZACIVSA-N	319.405	2.049	70	20	DEID	
CC(=O)N1CC[C@H](NC(=O)c2cc(C3CC3)nc3ccccc23)C1	159593669	GDYXCMFYQWDTGS-AWEZNQCLSA-N	323.396	2.463	70	20	DEID	
CC(C)(C)[C@](C)(C#N)NC(=O)c1cccc(S(=O)(=O)F)c1	1121181325	TXRNGNRZJJPYNN-AWEZNQCLSA-N	312.366	2.403	70	20	DEID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)NC[C@@H]1CCCS1	1338752790	SPVAWIOZJPSFRS-JTQLQIEISA-N	317.407	2.279	70	20	DEID	
C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)c2ccccc2O1	1348695295	ACULRQNRIWRPHE-SECBINFHSA-N	324.333	2.101	70	20	DEID	
O=C(O)c1cccc(NC(=O)c2ccc(S(=O)(=O)F)cc2)c1	1595249059	OLFUIFCAHOHZRE-UHFFFAOYSA-N	323.301	2.295	70	20	DEID	
COc1cccc(O[C@H](C)CNC(=O)[C@@H]2CCC[C@H](N)C2)c1	161128762	FNHIKNSWEMWILR-MCIONIFRSA-N	306.406	2.096	70	20	DEID	
CCc1nc2c(s1)[C@@H](N(C)C(=O)C[C@@H]1COC(=O)C1)CCC2	161240541	DLUOISUNZSJHQB-JQWIXIFHSA-N	322.430	2.495	70	20	DEID	
Cc1cccc(CN2CCN(C(=O)c3cc(C)ncn3)CC2)c1	161256523	ALZDNIBBAXVMRV-UHFFFAOYSA-N	310.401	2.051	70	20	DEID	
O=C1[C@@H](Nc2cncc(Cl)n2)CCCN1CC(F)(F)F	161500619	VXJDOPXACBEOGR-ZETCQYMHSA-N	308.691	2.095	70	20	DEID	
O=C(CC1CCCC1)NCC(=O)N1CCC[C@H]1c1ccc[nH]1	160070465	VHYXPJGAIUVTHI-HNNXBMFYSA-N	303.406	2.375	70	20	DEID	
COc1cccc2c1CC[C@@H]2NC(=O)CNC(=O)OC(C)(C)C	160076069	SFGCZKHKCASSGK-ZDUSSCGKSA-N	320.389	2.323	70	20	DEID	
CC[C@H](CC(=O)N(C)C[C@H](C)C(=O)NC)c1ccc(OC)cc1	160420041	DETWGFRTNXGYAC-UONOGXRCSA-N	320.433	2.419	70	20	DEID	
Cc1cnc([C@H](C)NC(=O)c2cnc3c(c2)ncn3C)s1	160729755	DNSWATFVVOBYOY-VIFPVBQESA-N	301.375	2.224	70	20	DEID	
O=C(/C=C/c1ccc(Cl)cc1)NC[C@H](O)COCC1CC1	159432195	LAVGANLCPNHTTB-PXTSUWAFSA-N	309.793	2.257	70	20	DEID	
COc1ccc2c(c1)CN(C(=O)CCc1cnn(C)c1C)CC2	159844705	UTTYASZFQUSULU-UHFFFAOYSA-N	313.401	2.255	70	20	DEID	
COC[C@@H](NC(=O)c1cccc2[nH]c(=O)oc12)c1ccc(C)o1	159894522	DOKAJMUGYAGVMQ-GFCCVEGCSA-N	316.313	2.140	70	20	DEID	
CCNc1nc(C(=O)N[C@H](CCO)c2ccccc2)cs1	159540919	WQNWDKLZYYGTQC-GFCCVEGCSA-N	305.403	2.428	70	20	DEID	
CCc1nc(CN(CC(=O)OC)[C@H](CC)c2ccccc2)n[nH]1	159389616	LWMNESURUDWUQY-CQSZACIVSA-N	316.405	2.493	70	20	DEID	
CSCc1cccc(NC(=O)N[C@H](C)[C@H]2CN(C)CCO2)c1	159589648	QOWFMTAEMLSQGY-IUODEOHRSA-N	323.462	2.390	70	20	DEID	
Nc1ccc(Cl)cc1C(=O)OCc1nnc2n1CCCC2	217322767	HLUHEQXPAKLWLA-UHFFFAOYSA-N	306.753	2.207	70	20	DEID	
C[C@@H]1O[C@H](C)[C@@H](C(=O)Nc2cccc(S(=O)(=O)F)c2)[C@@H]1C	875562575	QYKIWBQLHAEFSO-COMAGPEQSA-N	315.366	2.343	70	20	DEID	
C[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@H]1C[C@H]2CC[C@H]1C2	1354031802	KUGVTABGKWBREZ-QFOLPQNPSA-N	314.382	2.227	70	20	DEID	
NC(=O)C[C@H](Nc1nc2cc(F)ccc2o1)C1CCOCC1	161258516	NSAHNOYDRIRIIG-NSHDSACASA-N	307.325	2.049	70	20	DEID	
CC[C@@H](C)OCC(=O)Nc1ccc(C2=NNC(=O)CC2)cc1	161258661	KROJOZDHNRIQHO-LLVKDONJSA-N	303.362	2.054	70	20	DEID	
CCN(C(=O)[C@@H](C)SCCN1CCOCC1)c1ccccc1	160009334	GIADQPHLNHKLRQ-OAHLLOKOSA-N	322.474	2.493	70	20	DEID	
N[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)(F)F)C1	160192680	JPACYDICILFCNC-ADEWGFFLSA-N	314.307	2.248	70	20	DEID	
C[C@@H](CC(=O)NCc1ccc(C(N)=O)o1)c1ccc(F)cc1F	160225675	OMZJDNJQAWGXQX-VIFPVBQESA-N	322.311	2.467	70	20	DEID	
O=C1CC[C@H]2CN(C(=O)CCCc3cccs3)CC[C@H]2N1	160664505	DLPSCFABAXQHEM-GXTWGEPZSA-N	306.431	2.198	70	20	DEID	
CNC(=O)c1cc(OC)ccc1NC(=O)c1ccnn1C(C)C	160713965	WEPLSZNKWYSXOF-UHFFFAOYSA-N	316.361	2.085	70	20	DEID	
O=C(Nc1cc(Cl)ccc1-n1cncn1)[C@@H]1CCCCO1	159975350	PBZKHRDFOVAWCE-ZDUSSCGKSA-N	306.753	2.428	70	20	DEID	
O=S(=O)(Cc1cccc(Cl)c1)N1CCc2ncncc2C1	218074275	OURSSQMLSGQFAO-UHFFFAOYSA-N	323.805	2.018	70	20	DEID	
CCc1noc(C)c1C(=O)Nc1cccc(S(=O)(=O)F)c1	460088920	DSZJPZQGTSDMCR-UHFFFAOYSA-N	312.322	2.456	70	20	DEID	
COC[C@@H](C)[C@H](C)C(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	857673145	SKPCRNDHZBGYFL-BDAKNGLRSA-N	321.345	2.341	70	20	DEID	
O=C(N[C@@H]1CCCc2occc21)c1cc(S(=O)(=O)F)c[nH]1	1121032871	SJWHIGNTPYFDAW-SNVBAGLBSA-N	312.322	2.073	70	20	DEID	
CC1(C)COCN1C(=O)c1cc(S(=O)(=O)F)ccc1Cl	1339088276	XJJMYGVKXRWECZ-UHFFFAOYSA-N	321.757	2.207	70	20	DEID	
Cc1cccc2c1CCN2C(=O)c1cc(S(=O)(=O)F)c[nH]1	1347084584	YNYLAMIAUYBMDP-UHFFFAOYSA-N	308.334	2.184	70	20	DEID	
O=C(Nc1ccc2ncccc2c1)c1cc(S(=O)(=O)F)c[nH]1	1515237586	PZLXSEXNWSGGLF-UHFFFAOYSA-N	319.317	2.473	70	20	DEID	
COCc1ccc([C@H]2CCCN2C(=O)c2ccn(C)c(=O)c2)o1	161424534	IFFJQWYULCFMEI-CQSZACIVSA-N	316.357	2.102	70	20	DEID	
CC[C@@H](NC(=O)[C@@H](NC(=O)OC)C(C)C)c1c(C)noc1C	160030981	YIMPFSQGPCFIBB-YPMHNXCESA-N	311.382	2.239	70	20	DEID	
CCOCCO[C@H]1CCN(C(=O)Nc2cnc(C3CC3)nc2)C1	160040886	JVTHKOZPUUXQQI-AWEZNQCLSA-N	320.393	2.013	70	20	DEID	
CCCOc1ncccc1CNC(=O)CCc1cnn(C)c1C	160214504	YDHCBXNVWRIMAJ-UHFFFAOYSA-N	316.405	2.161	70	20	DEID	
COc1ccc(C(F)(F)C(=O)NCC(C)(C)CN(C)C)cc1	160335692	KVBCWGNITYYGDV-UHFFFAOYSA-N	314.376	2.491	70	20	DEID	
COc1cccc(-c2nc(C(=O)N[C@@H]3CCC[C@H]3O)c(C)[nH]2)c1	160438547	SBHVZUWMWGWPHR-ZIAGYGMSSA-N	315.373	2.037	70	20	DEID	
COCCN(Cc1ccco1)c1nc(C(C)C)nc(N(C)C)n1	160505625	KLHSRXIJXRQHSB-UHFFFAOYSA-N	319.409	2.307	70	20	DEID	
C[C@H](CO)N(C)C(=O)CCc1ccccc1Br	160565919	ZFIGTTXJYYMLFD-SNVBAGLBSA-N	300.196	2.221	70	20	DEID	
CC1(O)CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1	160621343	JGHZRNDPRIYJEF-UHFFFAOYSA-N	309.431	2.101	70	20	DEID	
O=C1C[C@@H](CC(=O)N2CCn3cccc3[C@@H]2c2ccccc2)CO1	160704618	OEDWHLKTJVAOMV-KUHUBIRLSA-N	324.380	2.373	70	20	DEID	
CC(C)c1nnc(NC(=O)c2cccc3c2oc(=O)n3C)s1	160757866	VGQWLMYLPBOFLI-UHFFFAOYSA-N	318.358	2.359	70	20	DEID	
COC(=O)c1csc(NC(=O)N(C)CCN2CCCC2)c1	160809925	RGJKPJBPOGBQFU-UHFFFAOYSA-N	311.407	2.094	70	20	DEID	
Cc1cc(N(C)C)ccc1NC(=O)NCCCNC(=O)C(C)C	160823393	WTZODKASJLTHIC-UHFFFAOYSA-N	320.437	2.345	70	20	DEID	
Cc1nc(O)ccc1C(=O)NC1CCN(CC2CCCC2)CC1	160886504	XSNQTKDCXCHJKK-UHFFFAOYSA-N	317.433	2.480	70	20	DEID	
CN(CC(F)(F)F)C(=O)c1ccc(C(=O)NC2CC2)cc1	160916035	WBCGIIGQOCUOMB-UHFFFAOYSA-N	300.280	2.213	70	20	DEID	
CC(C)OC1CCC(NC(=O)[C@@H]2CCn3ccnc3C2)CC1	159453811	AJTPKJRDOHWCQO-WLYUNCDWSA-N	305.422	2.298	70	20	DEID	
CCOC(C)(C)CNc1ncc(I)cn1	159543365	PPRCJZNHGRKSOF-UHFFFAOYSA-N	321.162	2.308	70	20	DEID	
NC(=O)[C@H]1CCCC[C@H]1NC(=O)CCc1ccc(F)cc1F	161282486	QUHUBJVUJRTLQL-GXTWGEPZSA-N	310.344	2.058	70	20	DEID	
CCNC(=O)C(C)(C)CNc1cncc(Br)c1	161328746	NLNYHFKBPPJFIN-UHFFFAOYSA-N	300.200	2.418	70	20	DEID	
CC(C)(C)OC(=O)N1CC[C@]2(CCN(c3ncc(F)cn3)C2)C1	160023542	ZKTHISFXZMZNHJ-INIZCTEOSA-N	322.384	2.453	70	20	DEID	
CCN(CC)CCC[C@H](C)NC(=O)[C@@H]1CCn2ccnc2C1	160225629	MXVHKLSKNFDVLP-LSDHHAIUSA-N	306.454	2.072	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1	160374284	CKDOVMVIEPNHKW-JTQLQIEISA-N	319.336	2.287	70	20	DEID	
Cc1ccccc1[C@H]1CN(C(=O)CNCC2CC2)[C@@H](C)CO1	160411216	RNVHMGOWSRKENT-WMLDXEAASA-N	302.418	2.283	70	20	DEID	
Cn1c(C(=O)NCCc2csc(C(C)(C)C)n2)cccc1=O	160758094	OGWFGVKJKRDCDA-UHFFFAOYSA-N	319.430	2.112	70	20	DEID	
CCC[C@@H](O)CNC(=O)c1ccc(-n2cnc3ccccc32)nc1	160764950	FVQCQNADMRKFJN-CQSZACIVSA-N	324.384	2.311	70	20	DEID	
COC(=O)N[C@H](C(=O)N1CCc2c(F)cccc2C1)C(C)C	160817695	JARMMQRSSWARAC-AWEZNQCLSA-N	308.353	2.091	70	20	DEID	
C[C@](O)(CNC(=O)NCCc1nccs1)c1ccc(F)cc1	160820168	HDDDXEQGEOQSDN-HNNXBMFYSA-N	323.393	2.032	70	20	DEID	
CCOc1cccc(CNC(=O)N[C@H]2CCc3[nH]ncc3C2)c1	160837275	AMGZBDWRSAQQEQ-AWEZNQCLSA-N	314.389	2.165	70	20	DEID	
C[C@@H](CC(=O)Nc1ccc(-n2cncn2)nc1)c1ccncc1	159412985	AADWLYPPEAKYAD-LBPRGKRZSA-N	308.345	2.190	70	20	DEID	
Cc1c(C(=O)N(C)Cc2ccccn2)cnn1C1CCOCC1	159443590	LMFBMDKUOQNKSS-UHFFFAOYSA-N	314.389	2.210	70	20	DEID	
Cc1ccsc1[C@H]1C[C@H]1C(=O)NCC(C)(C)N1CCOCC1	159491065	FNNGDLFEXSIBNJ-UONOGXRCSA-N	322.474	2.387	70	20	DEID	
COc1ccc(N(C)C(=O)[C@H](C)OC[C@@H]2CCCO2)cc1F	159707736	DOBNASUVPRFXQZ-AAEUAGOBSA-N	311.353	2.381	70	20	DEID	
CCNc1nc(C(=O)N[C@@H](CCO)c2ccccc2)cs1	159540832	WQNWDKLZYYGTQC-LBPRGKRZSA-N	305.403	2.428	70	20	DEID	
O=C(NCCc1cscn1)Nc1ccc(-n2cccn2)nc1	159547486	VXUKSAVPLMPPHN-UHFFFAOYSA-N	314.374	2.088	70	20	DEID	
CO[C@@](C)(C(=O)Nc1ccc(C)c(S(=O)(=O)F)c1)C1CC1	857673894	NCOUHSVQNFMCTG-CQSZACIVSA-N	315.366	2.407	70	20	DEID	
CCCN(Cc1ccccc1NC(C)=O)[C@H]1CCS(=O)(=O)C1	161111795	OCMHIPYMSMKYBD-HNNXBMFYSA-N	324.446	2.044	70	20	DEID	
C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)CCCC(=O)N(C)C	161263086	CFLGXZHKSXDBHL-GFCCVEGCSA-N	322.380	2.162	70	20	DEID	
NC(=O)c1cc(NC(=O)N2CCOC3(CCCC3)C2)ccc1F	161268483	NZAFWKDEEBMRSK-UHFFFAOYSA-N	321.352	2.102	70	20	DEID	
CN(C)Cc1ccc(CNC(=O)N[C@@H](CCO)C(C)(C)C)cc1	161433826	RLFSRLGGWRYJPK-INIZCTEOSA-N	321.465	2.345	70	20	DEID	
CNC(=O)COc1ccc(NC(=O)N2CC[C@@H](C)[C@H](C)C2)cc1	161444498	YCVBCMRJOPZCND-CHWSQXEVSA-N	319.405	2.321	70	20	DEID	
CC[C@@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)c1c(C)noc1C	160011111	IWPKZTJOAUQMCL-CMPLNLGQSA-N	309.410	2.410	70	20	DEID	
C[C@@H](CCc1ccc(O)cc1)NC(=O)N1CCC[C@](C)(O)C1	160083193	XOPMETGGRLBKDL-GUYCJALGSA-N	306.406	2.270	70	20	DEID	
O=C(NCCOc1ccc(Cl)cn1)NCc1ncccc1F	160396536	VILYNFFUKJREBS-UHFFFAOYSA-N	324.743	2.147	70	20	DEID	
CCN(CC(=O)Nc1cccc(OC)c1)Cc1c[nH]nc1C	160651602	BJWOENRCGSJQOU-UHFFFAOYSA-N	302.378	2.187	70	20	DEID	
Cc1nc2ccccn2c1CN1CCC[C@H](CCC(N)=O)C1	159616184	NHHSRQJQYFYFCZ-CQSZACIVSA-N	300.406	2.120	70	20	DEID	
CCCCN(C)CCNC(=O)NCc1ccnc(OC(C)C)c1	159837076	ZRRVYPOCDCOXOZ-UHFFFAOYSA-N	322.453	2.400	70	20	DEID	
O=C1C[C@H](C(=O)NC(c2ccccc2)c2ccccc2)CCN1	159958446	NREAKFHINKAKQQ-MRXNPFEDSA-N	308.381	2.418	70	20	DEID	
O=C([C@H]1CCCNC1)N1CCc2cccc(Br)c2C1	160917580	YTKUWDWQVDFDIM-LBPRGKRZSA-N	323.234	2.333	70	20	DEID	
O=C(CC[C@H]1CCCO1)Nc1ccc(S(=O)(=O)F)cc1	123040564	ZCILPMQEHHRZDT-LLVKDONJSA-N	301.339	2.243	70	20	DEID	
COC1(CNC(=O)c2cccc(S(=O)(=O)F)c2)CCCC1	1354887197	ZNBLZNARQGKMFU-UHFFFAOYSA-N	315.366	2.034	70	20	DEID	
C[C@@H]1CCC[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H]1C	1517958760	ZLLBERHRKNZOGB-MXWKQRLJSA-N	316.398	2.475	70	20	DEID	
CC1(C)CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CCS1	1528227400	NIDQVXGTUVQERB-UHFFFAOYSA-N	320.411	2.031	70	20	DEID	
Cc1noc(C)c1CNC(=O)c1ccc(C(=O)NC2CC2)cc1	161124560	PDBVKONQOKZLFW-UHFFFAOYSA-N	313.357	2.114	70	20	DEID	
C[C@@H](NC(=O)CN(C)[C@@H](CN)C1CC1)c1ccccc1Cl	160004698	HDHANFSBDZHNLU-ABAIWWIYSA-N	309.841	2.186	70	20	DEID	
C[C@@H](CCc1ccc(O)cc1)NC(=O)N1CCC[C@@](C)(O)C1	160082974	XOPMETGGRLBKDL-SUMWQHHRSA-N	306.406	2.270	70	20	DEID	
CCCCOC(=O)[C@H](C)N1CCC(N(C)C(=O)OCC)CC1	160319385	RFBAFYKPCVSNTQ-ZDUSSCGKSA-N	314.426	2.271	70	20	DEID	
O=C(NC[C@@H](O)CN1CCCCC1)c1coc2ccccc12	160343808	BXEANEXHTBKOOC-CYBMUJFWSA-N	302.374	2.009	70	20	DEID	
CC[C@H](C)NC[C@@H](c1ccc(OC)c(OC)c1)N1CCOCC1	160352494	NCAACFOCJIXKLD-HOCLYGCPSA-N	322.449	2.465	70	20	DEID	
CSCC[C@@H](N)C(=O)N1CC[C@H](Cc2ccc(F)cc2)C1	160399362	SUMQOSOTYDSKIT-UKRRQHHQSA-N	310.438	2.297	70	20	DEID	
CC(C)CCn1ccc(NC(=O)NCCNC(=O)C(C)(C)C)n1	160947077	CANGFPKNGPCAQI-UHFFFAOYSA-N	323.441	2.213	70	20	DEID	
CN(CC(C)(C)O)C(=O)Cc1ccc(Br)c(F)c1	159629186	XVMHMMUKLSOHGF-UHFFFAOYSA-N	318.186	2.360	70	20	DEID	
COC(=O)CN(C(=O)c1cc(C)c(C)o1)c1cccc(C)n1	159723690	XZRLVWIQUZREMJ-UHFFFAOYSA-N	302.330	2.420	70	20	DEID	
CS[C@@H](CO)[C@@H](C)NC(=O)Nc1ccnc(C)c1Cl	159740471	RGUNPJRJGFEFAQ-XCBNKYQSSA-N	303.815	2.277	70	20	DEID	
CCN(CCCNC(=O)N1CCC[C@@](C)(O)C1)c1ccccc1	159952733	ODGWCAAVKCBKHR-GOSISDBHSA-N	319.449	2.459	70	20	DEID	
CO[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1cccc(C(C)C)c1	159955521	GYOXAASDNLCDLB-HUUCEWRRSA-N	304.390	2.432	70	20	DEID	
Cc1cnn(-c2ccc(NC(=O)[C@@H]3CC[C@@H](N)C3)cc2F)c1	159775580	XGLWOMPCMWVARB-VXGBXAGGSA-N	302.353	2.386	70	20	DEID	
C[C@@H]1CCSCCN1C(=O)c1ccc(S(=O)(=O)F)cc1	865210156	UYPVLGDRJZDXBL-SNVBAGLBSA-N	317.407	2.312	70	20	DEID	
Cc1ccc(I)cc1OS(=O)(=O)F	1975731215	PLLVFNLMEPRMKG-UHFFFAOYSA-N	316.091	2.193	70	20	DEID	
Cc1c(Cl)cc(S(=O)(=O)N(C)[C@@H](C)CO)cc1Cl	161288242	RZNWEZPFCJSEEH-ZETCQYMHSA-N	312.218	2.303	70	20	DEID	
Cc1nccc(N[C@H](Cc2ccccc2)C(=O)N2CCCC2)n1	161318195	WQBQSPDBFGRDLH-MRXNPFEDSA-N	310.401	2.431	70	20	DEID	
C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cccn1C	161470806	WCDPLFBBKWPHAK-GFCCVEGCSA-N	307.394	2.107	70	20	DEID	
CCOC(=O)NCCCC(=O)N[C@@H]1CCO[C@H]1c1ccccc1	160170310	OYENLYBBHCYWEF-ZBFHGGJFSA-N	320.389	2.159	70	20	DEID	
CCNC(=O)c1cccc(CN[C@H]2CCN(CC)C[C@@H]2C)c1	160172148	CKGJWYMOLQFKHK-YOEHRIQHSA-N	303.450	2.256	70	20	DEID	
Cc1ccc([C@H](CNC(=O)C2=CCCC2)N2CCOCC2)o1	160215991	RARFCVUOOSKKAW-HNNXBMFYSA-N	304.390	2.188	70	20	DEID	
Cc1ccccc1-n1ncc(C(=O)NC[C@H](O)C(C)C)c1C	159687556	KNMUVYACQOHHTM-INIZCTEOSA-N	301.390	2.236	70	20	DEID	
O=C(Nc1cccn(CC(F)(F)F)c1=O)[C@H]1C[C@H]1C1CC1	159506380	ADSCGEOLJKORBP-UWVGGRQHSA-N	300.280	2.395	70	20	DEID	
C[C@H]1CC(NC(=O)c2cnc(C(F)(F)F)nc2)C[C@H](C)O1	159723088	PCMAGVPVVHUDME-YUMQZZPRSA-N	303.284	2.181	70	20	DEID	
Cc1sc(=O)n(CC(=O)N[C@H]2CCOC3(CCCC3)C2)c1C	159745805	UXUFFHBGFUSGHV-ZDUSSCGKSA-N	324.446	2.135	70	20	DEID	
CC(C)CC1(CNC(=O)NCC2(CO)CCOCC2)CCC1	159592986	ZEKUGGMIUJVIBN-UHFFFAOYSA-N	312.454	2.291	70	20	DEID	
Cc1ccc(S(=O)(=O)NCC2(CO)CCCC2)c(Cl)c1	160340483	PXUKMZWMYACEBU-UHFFFAOYSA-N	317.838	2.479	70	20	DEID	
CCN(Cc1ccc(F)c(Cl)c1)[C@H]1CCS(=O)(=O)C1	160547265	RIOHWEIUNTYKQM-NSHDSACASA-N	305.802	2.488	70	20	DEID	
COCCSc1ccc([N+](=O)[O-])cc1CS(=O)(=O)F	882039186	LWUZDKSVXCSBFL-UHFFFAOYSA-N	309.340	2.133	70	20	DEID	
O=C(CCc1ccc(S(=O)(=O)F)cc1)N1C2CCC1CC2	1262695449	BYBWAPVYAMBCLN-UHFFFAOYSA-N	311.378	2.431	70	20	DEID	
COc1c(F)cc(NC(=O)N[C@H]2CC[C@H](O)CC2)cc1F	161158879	WYJVBHBBQXTMCL-WAAGHKOSSA-N	300.305	2.398	70	20	DEID	
COC[C@H](NC(=O)NC[C@@H](C[C@@H](C)O)c1ccccc1)C1CC1	161183352	PURUWTLIEDHLMW-XYPHTWIQSA-N	320.433	2.265	70	20	DEID	
COCC(C)(C)C(=O)NCc1ccccc1Cn1cccn1	161191566	PSGSBWSXUSUYJH-UHFFFAOYSA-N	301.390	2.220	70	20	DEID	
CCN(C(=O)Cc1cccc(OCC(=O)NC)c1)C1CCCC1	161210527	WXIHMFCIRHHRTI-UHFFFAOYSA-N	318.417	2.145	70	20	DEID	
Cc1ccc(NC(=O)CN2CCN(c3ccncc3)CC2)c(C)c1	161298446	FKQDGOAOFIDDDI-UHFFFAOYSA-N	324.428	2.459	70	20	DEID	
C[C@@]1(NC(=O)Nc2ccn(Cc3ccccc3)n2)CCOC1	161396646	QUWWQZJPTGZMHZ-MRXNPFEDSA-N	300.362	2.232	70	20	DEID	
CCOCCC1(CNC(=O)NCC(C)(C)C[C@@H](C)O)CC1	161470547	LMQRRYZXMSCOBP-CYBMUJFWSA-N	300.443	2.290	70	20	DEID	
CC(C)c1nn(C)c(Cl)c1C(=O)N1CCN(C(C)C)CC1	160051855	HJPWGPBIJXFRKH-UHFFFAOYSA-N	312.845	2.363	70	20	DEID	
CC(=O)Nc1ccc(CC(=O)NCCc2cccc(O)c2)cc1	160146245	YQZXXZXXYLBTKQ-UHFFFAOYSA-N	312.369	2.252	70	20	DEID	
CCCCOC(=O)[C@@H](C)N(CCC(N)=O)c1cccc(C)c1	160211848	VYRRMZZSBNOOBO-CQSZACIVSA-N	306.406	2.409	70	20	DEID	
Cc1cccc([C@@H]2CCCN2C[C@H](O)COC2CCOCC2)n1	160251081	OOHZNHQATAORTL-YJBOKZPZSA-N	320.433	2.083	70	20	DEID	
C[C@H](CO)N(C)C(=O)CCc1ncc(-c2ccccc2F)o1	160543430	FGJCUTWZDMBTBM-LLVKDONJSA-N	306.337	2.253	70	20	DEID	
COCC(C)(C)C(=O)NCc1cc2c(cc1OC)C[C@H](C)O2	160905926	SCMDRKOKJVRMCK-NSHDSACASA-N	307.390	2.307	70	20	DEID	
COc1cc(C)ccc1NC(=O)N(C)CCNC(=O)C(C)C	159802451	VCQNTBDJOULYJU-UHFFFAOYSA-N	307.394	2.240	70	20	DEID	
CCCCn1ncc(NC(=O)N(C)Cc2cnn(C)c2)c1C	159629912	XBXOORGNDQFBQD-UHFFFAOYSA-N	304.398	2.389	70	20	DEID	
Cc1c(C(=O)NCCNC(=O)OC(C)(C)C)cnn1CC(C)C	159792354	OPMNQQVYGMHJEU-UHFFFAOYSA-N	324.425	2.102	70	20	DEID	
Cc1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(F)cc2F)cn1	159799529	HZAIJNUHCHNKFC-SNVBAGLBSA-N	319.311	2.484	70	20	DEID	
O=C(Nc1ccn(CC(F)(F)F)n1)N[C@H]1CC[C@H](CO)CC1	160761921	DEGPKAARQFMBHU-AOOOYVTPSA-N	320.315	2.118	70	20	DEID	
Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(Cl)cc1O	160402282	GABLVRVZAAZBMT-UHFFFAOYSA-N	301.755	2.186	70	20	DEID	
CO[C@@H](CNC(=O)c1cccc(S(=O)(=O)F)c1)C(C)(C)C	1348708441	XKZPKBZCYRBQOX-LBPRGKRZSA-N	317.382	2.136	70	20	DEID	
CCCOc1ccc(O[C@H]2CCCC[C@@H]2NC(=O)CN)cc1	161031839	INTMBSAGGQUKPK-HOTGVXAUSA-N	306.406	2.240	70	20	DEID	
COC(=O)c1csc(NC(=O)N[C@H](C)C2CCOCC2)c1	161099649	MAAUUKSLBURPCX-SECBINFHSA-N	312.391	2.471	70	20	DEID	
COc1cccc2c1CC[C@H]2NC(=O)Nc1cccn(C)c1=O	161137675	QTUXBKHBJXRQTE-CYBMUJFWSA-N	313.357	2.203	70	20	DEID	
CCN1CCCC[C@@H]1CN[C@@H](C)c1cccc(-n2cnnn2)c1	161158493	NBOHEUKOFHEVPZ-WMLDXEAASA-N	314.437	2.187	70	20	DEID	
CCOc1cc(CCCNC(=O)[C@@H]2CCCCN2)ccc1OC	160062393	YAZUQIJMZFECLO-HNNXBMFYSA-N	320.433	2.285	70	20	DEID	
CCCCn1ncc(NC(=O)NC[C@@H](C)C(=O)OCC)c1C	160269986	VMXHNNXITDVECQ-LLVKDONJSA-N	310.398	2.312	70	20	DEID	
C[C@@H]1CCC[C@](CNC(=O)[C@@H]2CCn3ccnc3C2)(N(C)C)C1	160310834	ANIWSRWHIZGXFR-RKVPGOIHSA-N	318.465	2.072	70	20	DEID	
CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)N[C@H](C)CCO	160400142	HUPHYJAIELEOAB-GYSYKLTISA-N	314.813	2.486	70	20	DEID	
CCOC(=O)CCc1ccc(NC(=O)C[C@@H]2CCCN2)cc1	160494360	BTRHHNGKRSEGDW-HNNXBMFYSA-N	304.390	2.263	70	20	DEID	
CC(C)Cn1cc(NC(=O)C(=O)Nc2c(F)cccc2F)cn1	160511305	ULYSUHBJWXEOSM-UHFFFAOYSA-N	322.315	2.395	70	20	DEID	
O=C(Nn1cnc2ccccc2c1=O)c1noc2c1CCCCC2	160638804	SEQJBKVQZZXSPV-UHFFFAOYSA-N	324.340	2.037	70	20	DEID	
O=C1CC[C@@H]2CN(C(=O)c3cccc(F)c3Cl)CC[C@H]2N1	160663243	QMEMTWOOQGMYFJ-BXKDBHETSA-N	310.756	2.220	70	20	DEID	
CN(CCC(=O)OC(C)(C)C)C(=O)NCCc1cscn1	159462303	VQSNPXQJAHLZRD-UHFFFAOYSA-N	313.423	2.059	70	20	DEID	
CCC(C)(C)NC(=O)[C@@H](SCCN1CCOCC1)C(C)C	159914259	VGVOYJWLFCKIMC-AWEZNQCLSA-N	316.511	2.381	70	20	DEID	
CC1CCC(NC(=O)[C@@H](C)SCCN2CCOCC2)CC1	159955998	ZHNDMUVMYYMMPR-SHARSMKWSA-N	314.495	2.135	70	20	DEID	
Cc1cc(C)cc(OCCC(=O)NC[C@H](O)COCC(C)C)c1	159382430	QWQAZQMQHUIAPJ-INIZCTEOSA-N	323.433	2.222	70	20	DEID	
CC(=O)N[C@H](C)C(=O)N[C@@H](c1cccc(C)c1)c1ccccn1	159776495	SXTOOOVAYVWRMM-DYVFJYSZSA-N	311.385	2.120	70	20	DEID	
Cc1ccc(NC(=O)[C@H]2CO[C@H](C)C2)cc1S(=O)(=O)F	857675103	BCSCOTAMIBBBKL-NXEZZACHSA-N	301.339	2.017	70	20	DEID	
CCCN(CC(F)F)C(=O)Cc1ccc(S(=O)(=O)F)cc1	1337013014	PQKFAGBSLLJTTP-UHFFFAOYSA-N	323.336	2.391	70	20	DEID	
CCCc1nnc(NC(=O)NCCCC(=O)OC(C)C)s1	161272362	IXDFHQRVBDXMOF-UHFFFAOYSA-N	314.411	2.344	70	20	DEID	
CC(C)(C)C[C@@H](CO)Nc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1	161422037	PMESASYMFVAICL-JTQLQIEISA-N	321.425	2.084	70	20	DEID	
C[C@H]1CC(NC(=O)Nc2cnn(-c3ccccn3)c2)C[C@H](C)O1	161476968	HXCFPJBOAOXENA-RYUDHWBXSA-N	315.377	2.345	70	20	DEID	
O=C(C[C@@H]1COC(=O)C1)N[C@H]1CCSc2c(F)cccc21	160098896	KNGJJSGHISRKPJ-CABZTGNLSA-N	309.362	2.432	70	20	DEID	
Cn1c(=O)[nH]c2ccc(C(=O)Nc3nc(C4CC4)cs3)cc21	160551369	GYZHGRWHLCEPKF-UHFFFAOYSA-N	314.370	2.453	70	20	DEID	
O=C(N[C@H]1CCN(CC2CC2)C1)N(Cc1cccnc1)C1CC1	160709490	LENIBWUIUZQPKF-INIZCTEOSA-N	314.433	2.240	70	20	DEID	
O=C(Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1)[C@@H]1CCCCN1	159420565	XGDNSKQKDFBURG-YESZJQIVSA-N	318.417	2.450	70	20	DEID	
C[C@]1(CNC(=O)NCCCOC[C@H]2CCCO2)CCCS1	159423244	OOBMKEKNCAOVSU-UKRRQHHQSA-N	316.467	2.157	70	20	DEID	
CCOCCCCNC(=O)Nc1ccc(C(C)(C)C(N)=O)cc1	159860706	AKUZIYLSZLHQPK-UHFFFAOYSA-N	321.421	2.388	70	20	DEID	
CCOC(=O)CN(C)[C@H](C)C(=O)N[C@H](C)c1ccc(CC)cc1	159486065	NXSRRKXNGPDNAE-ZIAGYGMSSA-N	320.433	2.310	70	20	DEID	
Cc1cccc(F)c1NC(=O)C(=O)N(C)Cc1ccccn1	159574420	IIRPLTTZEOIFGC-UHFFFAOYSA-N	301.321	2.126	70	20	DEID	
CC[C@H](C)OCC(=O)Nc1ccccc1N1CCC(O)CC1	159793682	CNYQGSOOBVYXBQ-ZDUSSCGKSA-N	306.406	2.401	70	20	DEID	
C[C@@H](CN1CCOCC1)NC(=O)NCC1CCC(C)(C)CC1	159794602	LLKVNARODMDFCW-AWEZNQCLSA-N	311.470	2.223	70	20	DEID	
CSC[C@](C)(O)CNC(=O)CCOc1ccc(C)c(C)c1	217622888	BOJULOCWQMQXOS-MRXNPFEDSA-N	311.447	2.303	70	20	DEID	
CCOC1CC(COC(=O)c2ccc(S(=O)(=O)F)cc2)C1	490535771	DBXWLWUZZVDFSS-UHFFFAOYSA-N	316.350	2.317	70	20	DEID	
CCOc1cccc(NC(=O)c2cccc(S(=O)(=O)F)c2)n1	1121094605	HDUQAPYWTRFPEI-UHFFFAOYSA-N	324.333	2.391	70	20	DEID	
CC(C)(C)[C@H](CCO)NC(=O)NCc1ccc2c(c1)OCCO2	161222830	OVSLUHJPFBTLOS-HNNXBMFYSA-N	322.405	2.054	70	20	DEID	
CC(C)CCOc1ccc(S(=O)(=O)N(C)[C@@H](C)CO)cc1	161302587	HKAVJQZFNVEKAZ-ZDUSSCGKSA-N	315.435	2.113	70	20	DEID	
CCOCCC1(CNC(=O)[C@@H]2CCCCN2C(=O)CC)CCC1	161425773	VPLCSTZWEKCELY-HNNXBMFYSA-N	324.465	2.491	70	20	DEID	
C[C@H]1CC[C@H](C)N1C(=O)c1cc(N2CCNC2=O)ccc1F	161508417	MNSSLQGOYPBXPY-QWRGUYRKSA-N	305.353	2.368	70	20	DEID	
C[C@H](SCCN1CCOCC1)c1cn(-c2ccccc2)nn1	160071069	XYRUOYCQQQUZGT-AWEZNQCLSA-N	318.446	2.394	70	20	DEID	
COc1cccc2c1CC[C@H]2NC(=O)CNC(=O)OC(C)(C)C	160075931	SFGCZKHKCASSGK-CYBMUJFWSA-N	320.389	2.323	70	20	DEID	
CCNC(=O)CN(CC)Cc1ccc(OCC)c(OCC)c1	160103213	RRYPDKRIUCNXPF-UHFFFAOYSA-N	308.422	2.442	70	20	DEID	
CCn1cc(C(=O)C(=O)N[C@@H]2CCCc3sccc32)cn1	160493285	PSCPUEHEJCZZMY-GFCCVEGCSA-N	303.387	2.341	70	20	DEID	
C[C@@H](CO)N(C)C(=O)c1cccc(OCc2cccnc2)c1	160493480	MULHKOPNPIQMKX-ZDUSSCGKSA-N	300.358	2.113	70	20	DEID	
CSC[C@@](C)(O)CNC(=O)c1cnn(CCC(C)C)c1C	160597319	CFIXVXSKIHMAGM-HNNXBMFYSA-N	313.467	2.081	70	20	DEID	
CC(=O)N1CCC[C@@H]1C(=O)NCCc1csc(C(C)(C)C)n1	160611312	DZRQPZBAAFJXGL-CYBMUJFWSA-N	323.462	2.110	70	20	DEID	
CN[C@H]1CCN(C(=O)C[C@H]2CCCc3cc(OC)ccc32)C1	160669623	MSZZLURFJCUCCP-CABCVRRESA-N	302.418	2.326	70	20	DEID	
O=S(=O)(CCCF)N[C@H](C[C@@H]1CCOC1)c1ccccc1	159817643	QSEMAIICLNFTFV-DZGCQCFKSA-N	315.410	2.433	70	20	DEID	
Cc1ccc(NC(=O)NCC2CCS(=O)(=O)CC2)c(F)c1	159438987	CUILOQGHLBLPSB-UHFFFAOYSA-N	314.382	2.080	70	20	DEID	
CNC(=O)COc1cccc(CC(=O)O[C@H]2CCC[C@@H](C)C2)c1	159630428	ZXMLTVQYCIMYIH-CJNGLKHVSA-N	319.401	2.476	70	20	DEID	
Cc1ccc2c(n1)OCCN2C(=O)CCc1cncc(F)c1	159904934	CPSTVMNNAHIWRT-UHFFFAOYSA-N	301.321	2.282	70	20	DEID	
CSC[C@H](C)NC(=O)Nc1ccc(C(C)(C)C(N)=O)cc1	159910085	JNPUJMFXSGQZMV-JTQLQIEISA-N	309.435	2.323	70	20	DEID	
O=C(c1ccc(O)c(Cl)c1)N1CCC(Cn2ccnn2)CC1	159527132	UNKPGUZAWPIMNX-UHFFFAOYSA-N	320.780	2.190	70	20	DEID	
COC(=O)[C@H](NCCC(F)(F)F)c1cc(OC)cc(OC)c1	159731626	LGPBIJVVXZRWKR-GFCCVEGCSA-N	321.295	2.460	70	20	DEID	
COCCC1(C(=O)NCc2cccc(Cn3cccn3)c2)CC1	159555956	UGVIRAQEKQBJBS-UHFFFAOYSA-N	313.401	2.364	70	20	DEID	
O=C(N[C@H]1CCC[C@H]2OCC[C@H]12)c1ccc(N2CCCC2)nc1	159778841	DLJURLLYVPKGNK-OWCLPIDISA-N	315.417	2.369	70	20	DEID	
N[C@@H]1CCC[C@H](NC(=O)c2cc(Br)ccc2O)C1	161197376	IRTXDGWDRVIVPY-ZJUUUORDSA-N	313.195	2.154	70	20	DEID	
Cn1cncc1CNC[C@H]1CCCN(C(=O)OC(C)(C)C)C1	218175305	BJAQAJINRIWUMR-CYBMUJFWSA-N	308.426	2.157	70	20	DEID	
CC(C)(C)NC(=O)CNC(=O)CNc1cccc2c1CCCC2	161070073	HTIBFQBIKBMGGC-UHFFFAOYSA-N	317.433	2.008	70	20	DEID	
CNC[C@@H]1CCCN1C(=O)c1cnn(-c2ccccc2F)c1C	161340140	KKQCNPINMGDHKG-ZDUSSCGKSA-N	316.380	2.144	70	20	DEID	
Cc1cnccc1CCNC(=O)N[C@H]1[C@@H]2CCO[C@@H]2C1(C)C	161479651	ASCCPVIXFHBXIC-KKUMJFAQSA-N	303.406	2.045	70	20	DEID	
COC(=O)CN(C(=O)c1ccc(-c2nnc(C)o2)cc1)C(C)C	160037640	KESUYTDSFAOLOI-UHFFFAOYSA-N	317.345	2.069	70	20	DEID	
CC(C)OC(=O)CCCNC(=O)N1CCOC2(CCCC2)C1	160183576	ZPGADNVVHDWRHQ-UHFFFAOYSA-N	312.410	2.073	70	20	DEID	
CCCCn1ncc(NC(=O)N[C@@H]2CCCn3ncnc32)c1C	160270646	YNRRTABWWIBFNF-GFCCVEGCSA-N	317.397	2.240	70	20	DEID	
CS[C@H](C)C(=O)Nc1ccc(CS(C)(=O)=O)c(F)c1	160324263	VRZUPDACSUOTNL-MRVPVSSYSA-N	305.396	2.060	70	20	DEID	
CS[C@@H](C)CNC(=O)NCCOc1ccc(Cl)cn1	160396939	BJGIDOQRLRONFG-VIFPVBQESA-N	303.815	2.165	70	20	DEID	
O=C(CN[C@H]1CCCOc2ccc(F)cc21)NCC(F)(F)F	160540107	OPKNYAOBHDHIOU-NSHDSACASA-N	320.286	2.308	70	20	DEID	
C[C@@H](NCCS(=O)(=O)c1ccc(F)cc1)c1ccncc1	160550432	XJZLTWQSVWEXOO-GFCCVEGCSA-N	308.378	2.345	70	20	DEID	
C[C@H](NCC(=O)NCC(F)(F)F)c1cc(F)c(F)c(F)c1	160563679	BPHJUZFVLNYGBV-LURJTMIESA-N	314.229	2.433	70	20	DEID	
O=C(N[C@@H]1CCN(CC2CC2)C1)N1CCc2ccccc2CC1	160624046	ZDBIEWLPQDRMOH-GOSISDBHSA-N	313.445	2.281	70	20	DEID	
C[C@@]1(NC(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)CCOC1	160710005	WMRJIANPOUXDMM-YQQAZPJKSA-N	304.390	2.385	70	20	DEID	
CN1CCCN(C(=O)C[C@H]2COC(=O)C2)c2cc(Cl)ccc21	160729444	AJTQNBPLNQDSBH-LLVKDONJSA-N	322.792	2.466	70	20	DEID	
CCn1c(Cc2ccccc2)nnc1SCc1nncn1C	160933709	SJCPLIQCRGAEMF-UHFFFAOYSA-N	314.418	2.310	70	20	DEID	
COC(=O)CCCC(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1	159441793	WPQWXFQIMOWANE-HUUCEWRRSA-N	305.374	2.366	70	20	DEID	
OC[C@H]1CCCN1C[C@@H](O)Cc1ccc(C(F)(F)F)cc1	159851652	IDSASCYXRJIMEV-KGLIPLIRSA-N	303.324	2.066	70	20	DEID	
C[C@@H](C(=O)N1CCC[C@@H](CN2CCOCC2)C1)c1cccs1	159912435	VFGCPEPAAUTRRK-CABCVRRESA-N	322.474	2.422	70	20	DEID	
Cc1onc(-c2ccccn2)c1C(=O)N(C)[C@@H]1CCCN(C)C1	159917975	AHZYBGJSPSIWPO-CYBMUJFWSA-N	314.389	2.211	70	20	DEID	
COC(=O)CCCc1csc(NC(=O)[C@H]2CCO[C@@H]2C)n1	159742902	QFRIDANOMXCJSN-KOLCDFICSA-N	312.391	2.002	70	20	DEID	
CC(C)N(CCN(C)C)C(=O)N[C@H]1CCCC[C@@H]1n1cccn1	159366594	QEZUMQIIBHPCGD-HOTGVXAUSA-N	321.469	2.348	70	20	DEID	
CCNC(=O)c1ccc(NC(=O)N2CCC[C@@](C)(O)C2)c(C)c1	159555961	SXEDANPVFCZVBN-QGZVFWFLSA-N	319.405	2.123	70	20	DEID	
COCCC1(CNC(=O)N(C)[C@H]2CCCc3c2cnn3C)CC1	159774668	HVQFEJQPSSQWBX-AWEZNQCLSA-N	320.437	2.256	70	20	DEID	
CO[C@@H]1CC[C@H](OC(=O)c2ccc(S(=O)(=O)F)cc2C)C1	1338918461	WDCXMLMDPSNOJS-MNOVXSKESA-N	316.350	2.378	70	20	DEID	
O=S(=O)(F)CCN1CCc2cc(Br)ccc21	1336947634	LUPSIVCJERLFSC-UHFFFAOYSA-N	308.172	2.111	70	20	DEID	
N[C@H]1CCC[C@H](NC(=O)c2ccn(-c3ccc(F)cc3)n2)C1	161080741	LGMSLMDCAGHBEC-STQMWFEESA-N	302.353	2.011	70	20	DEID	
CCC[C@@H](CCO)CNC(=O)[C@@]1(C)Cc2ccccc2C(=O)O1	161161464	TVCFXGIYEHFSNO-SCLBCKFNSA-N	319.401	2.073	70	20	DEID	
CN(C)Cc1ccc(CNC(=O)N[C@H](CCO)C(C)(C)C)cc1	161433667	RLFSRLGGWRYJPK-MRXNPFEDSA-N	321.465	2.345	70	20	DEID	
CO[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(C(C)C)cc1	160025627	GCVQXSZJWXMWBK-HUUCEWRRSA-N	304.390	2.432	70	20	DEID	
C[C@@H](NS(=O)(=O)c1c[nH]c2ncccc12)c1cccc(O)c1	160198395	RSJNVLNEIWMIGD-SNVBAGLBSA-N	317.370	2.308	70	20	DEID	
COc1ccccc1[C@@H](C)NCCN1CCC(N(C)C)CC1	160203554	SJWLMNIWCSNWPR-OAHLLOKOSA-N	305.466	2.372	70	20	DEID	
Cn1nccc1NC(=O)C(=O)NCC(C)(C)C1CCCCC1	160272139	MVYBGDFIYHHWTR-UHFFFAOYSA-N	306.410	2.081	70	20	DEID	
Cc1cccc(OC[C@H](C)NC(=O)[C@H]2CCn3ccnc3C2)c1	160357261	YCKMAEFPCVAJHF-GJZGRUSLSA-N	313.401	2.338	70	20	DEID	
COCC(C)(C)C(=O)NC[C@H](c1cccc(OC)c1)N(C)C	160372825	FOINRYOLQLITTN-OAHLLOKOSA-N	308.422	2.087	70	20	DEID	
COc1ccc([C@@H](C)N[C@@H]2CCc3nc(C)nn3C2)cc1F	160384315	QTUZZEAFHMKURY-ZWNOBZJWSA-N	304.369	2.400	70	20	DEID	
CCOc1cccc2c1OCC(C(=O)NCC(N)(CC)CC)=C2	160494158	LRSRAUHLQURWAW-UHFFFAOYSA-N	318.417	2.495	70	20	DEID	
O=C(NCC1CCN(CCO)CC1)c1cccc2ccccc12	160561198	YPUCHADMXLFNLV-UHFFFAOYSA-N	312.413	2.274	70	20	DEID	
N[C@@H](CCC(=O)NCCCOC[C@H]1CCOC1)c1ccccc1	160584085	VBAWVUDLAFKASG-WBVHZDCISA-N	320.433	2.026	70	20	DEID	
CN(C)C1(CNC[C@@H](O)COCc2cccs2)CCCC1	160897432	IQCVJQYAMJXROT-CQSZACIVSA-N	312.479	2.090	70	20	DEID	
Cc1ccc(N2CC[C@@H](N3CCN(CC4CC4)CC3)C2=O)cc1	159406447	RJJQMKSWYCADIY-GOSISDBHSA-N	313.445	2.128	70	20	DEID	
CCOc1ncccc1C(=O)Nc1ccc(S(=O)(=O)F)cc1	185110198	NIVVFHGILZSRBQ-UHFFFAOYSA-N	324.333	2.391	70	20	DEID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N[C@@H]1CSC[C@@H]1C	1354971928	XOQCOGWBRBCXDF-JOYOIKCWSA-N	317.407	2.135	70	20	DEID	
CC(C)Oc1cncc(C(=O)N[C@H](C)C(=O)OC(C)(C)C)c1	161064792	DBQBJKSDZWMIMN-LLVKDONJSA-N	308.378	2.329	70	20	DEID	
CCc1c(C(=O)NC2CCN(C3CC3)CC2)cnn1CC(C)C	161295497	IJXMATGRTSIZQC-UHFFFAOYSA-N	318.465	2.458	70	20	DEID	
CCCOc1ncccc1CNC(=O)N(C)C[C@H]1CCC[C@@H]1O	160036649	YHPJNBOXLOBFOI-CABCVRRESA-N	321.421	2.173	70	20	DEID	
COc1cccc2c1CC[C@H]2NC(=O)CCNC(=O)C(C)(C)C	160105680	FNDSFKCHVAPREG-CQSZACIVSA-N	318.417	2.351	70	20	DEID	
COc1ccc(/C=C/C(=O)N[C@@H](CCO)C(C)C)c(OC)c1	160698127	HEHGYFYMNBNUNP-VFADXPBXSA-N	307.390	2.240	70	20	DEID	
O=C(Nc1cnn(-c2ccccc2)c1)[C@@H]1CCn2ccnc2C1	160750737	ICCNFIBNOUTSTP-CYBMUJFWSA-N	307.357	2.270	70	20	DEID	
NC(=O)c1cccc(C(=O)N[C@H]2CCOC3(CCCCC3)C2)c1	160788629	GZBQWBDRPPONNX-HNNXBMFYSA-N	316.401	2.397	70	20	DEID	
CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)[C@H]1CCCNC1	160832484	ODARJPPBAONTGS-DOTOQJQBSA-N	322.424	2.343	70	20	DEID	
COc1cc(Cl)c(C(=O)NC[C@@H](C)CCO)cc1OC	159611114	BNIYBCHCOSPXMY-VIFPVBQESA-N	301.770	2.106	70	20	DEID	
COCCOc1cc(C)ccc1NC(=O)N1CCC[C@@](C)(O)C1	159440622	DUCHVHAFGGMOGW-QGZVFWFLSA-N	322.405	2.399	70	20	DEID	
C[C@H](CO[C@@H]1CCOC1)NC(=O)N1CCc2cccc(F)c2C1	159863618	KEJVZZDPLTUMLK-TZMCWYRMSA-N	322.380	2.087	70	20	DEID	
CCc1noc(C)c1CSCCN1C(=O)NC(C)(C)C1=O	159694032	QONNOVADXQWPKV-UHFFFAOYSA-N	311.407	2.109	70	20	DEID	
COC1(C(=O)N2C[C@H](c3ccccc3C)C[C@H]2C)CCNCC1	159894294	PFFWSHTVMQZHTD-HZPDHXFCSA-N	316.445	2.468	70	20	DEID	
CCN1CCCN(C(=O)NC[C@@H](c2ccccc2)N(C)C)CC1	159518730	VSDJSXNWDKJXSR-KRWDZBQOSA-N	318.465	2.027	70	20	DEID	
Nc1ccc(C(=O)OCc2nnc3n2CCCC3)c(Cl)c1	217322746	WDYJXJZLLALJBT-UHFFFAOYSA-N	306.753	2.207	70	20	DEID	
CC[C@H](C)NC(=O)[C@H](C)NC(=O)C[C@@H]1OCCc2ccccc21	217205123	KZYYBIBBUPSFKS-XEZPLFJOSA-N	318.417	2.110	70	20	DEID	
CC(C)OCCCC(=O)Nc1cccc(S(=O)(=O)F)c1	460092574	MAIUTMVFMLJWOF-UHFFFAOYSA-N	303.355	2.489	70	20	DEID	
Cc1ccc(NC(=O)[C@H]2CCSC2)cc1S(=O)(=O)F	857675129	CEPYFNIJJDLBLA-VIFPVBQESA-N	303.380	2.345	70	20	DEID	
CC1(C)CCC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1340624821	LOEGOLRQHLNKAV-VIFPVBQESA-N	302.371	2.372	70	20	DEID	
CC(C)OCCCNC(=O)N[C@@H](C)c1ccc(NC(N)=O)cc1	161022581	OOJDTOIPIGNBTL-LBPRGKRZSA-N	322.409	2.353	70	20	DEID	
Cc1ccc(F)c(NC(=O)C(=O)N[C@@H](C)C2CCOCC2)c1	161064427	YQMYCLNIWSRING-NSHDSACASA-N	308.353	2.004	70	20	DEID	
Cn1ccnc1CS(=O)(=O)Cc1cccc(OC(F)F)c1	161206156	WLVPCEBUPVUQRK-UHFFFAOYSA-N	316.329	2.137	70	20	DEID	
CCn1cnnc1[C@H]1CCCN([C@@H](C)C(=O)NC(C)(C)CC)C1	161280551	VJCGHBYZNWAWJG-KBPBESRZSA-N	321.469	2.171	70	20	DEID	
C[C@@H]1OCCN(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)[C@@H]1C	161308727	GFVQYOZAGPAJLE-NEPJUHHUSA-N	315.377	2.123	70	20	DEID	
COC(=O)[C@@H]1CCCN1C(=O)c1cc(NC(C)=O)ccc1Cl	160012992	BMQXQMZDESANJC-ZDUSSCGKSA-N	324.764	2.076	70	20	DEID	
Cc1cc(NC(=O)CS(=O)(=O)C(C)(C)C)ccc1N(C)C	160097444	ISWRPEKKNZYEGS-UHFFFAOYSA-N	312.435	2.213	70	20	DEID	
O=C(NC[C@H]1CCOC1)Nc1ccc(O[C@@H]2CCOC2)cc1	160143585	NTXNGQALPYBBJT-IUODEOHRSA-N	306.362	2.012	70	20	DEID	
CC[C@H](C)N(C)CCN[C@@H](C)c1ccc(S(C)(=O)=O)cc1	160146949	MTYGCJDLGULPBA-KBPBESRZSA-N	312.479	2.471	70	20	DEID	
CC(C)(CO)CNC[C@H](O)COc1ccc(Cl)c(Cl)c1	160159028	XIYKULSUEGUKHL-JTQLQIEISA-N	322.232	2.341	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)Cc1c[nH]c2c(C)cccc12	160232883	IJQUCXRCNBIHDE-GFCCVEGCSA-N	302.374	2.477	70	20	DEID	
O=C(NCCCS(=O)(=O)Cc1ccccc1)NC1CC=CC1	160291824	OFTGKGLUKKNMLQ-UHFFFAOYSA-N	322.430	2.009	70	20	DEID	
CCc1nc(CN[C@@H](C)c2cccc(N3CCCC3=O)c2)n[nH]1	160389591	SHEYHLIWBCDFFC-LBPRGKRZSA-N	313.405	2.345	70	20	DEID	
COc1cccc(COCCNC(=O)N(C[C@H](C)O)C(C)C)c1	160571822	TWWOCENXFXOWJG-AWEZNQCLSA-N	324.421	2.013	70	20	DEID	
COc1ccccc1[C@@H](NC(=O)N[C@@H](C)CO)c1ccco1	160637075	ZRBVDABFHAGAPG-XHDPSFHLSA-N	304.346	2.058	70	20	DEID	
CCO[C@@H]1C[C@H](N(C)C(=O)NC2CCN(C)CC2)C12CCC2	160714214	GHLTUMDJLGWORJ-LSDHHAIUSA-N	309.454	2.070	70	20	DEID	
C[C@H]1C[C@@H](C)CN(C(=O)CCCNC(=O)c2cccnc2)C1	160934680	QWNQSZFRJZCREZ-OKILXGFUSA-N	303.406	2.096	70	20	DEID	
CN(C(=O)NC[C@H]1CCCS1)[C@H]1CCCc2c1cnn2C	159584289	RVVWTSADSWCLNK-YPMHNXCESA-N	308.451	2.335	70	20	DEID	
CC[C@@H](C)CS(=O)(=O)Oc1cccc(C(=O)NC2CC2)c1	159999178	AVZHQLNHDMGACF-LLVKDONJSA-N	311.403	2.334	70	20	DEID	
Cc1nc(C(=O)Nc2cccc(S(=O)(=O)F)c2)ccc1C#N	460091053	IYYJRYZMWRKAPI-UHFFFAOYSA-N	319.317	2.172	70	20	DEID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)NC[C@H]1CCCS1	1338752792	SPVAWIOZJPSFRS-SNVBAGLBSA-N	317.407	2.279	70	20	DEID	
CN(CC1CCCCC1)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1347188756	FDNBGKCVKKHHDL-UHFFFAOYSA-N	302.371	2.325	70	20	DEID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N1CCC[C@@H](F)C1	1340779595	XSSRUHQUJVEISV-SNVBAGLBSA-N	303.330	2.227	70	20	DEID	
CCCC[C@H](NCc1cnn(C)c1)C(=O)Nc1cc(C)on1	161141303	XXMCCPXWMMVVIT-ZDUSSCGKSA-N	305.382	2.004	70	20	DEID	
COC(=O)c1ccc(NC(=O)N2CCC[C@@](C)(O)C2)cc1C	161264025	SKRJBELDZRSFQD-MRXNPFEDSA-N	306.362	2.160	70	20	DEID	
Cc1cc(C)cc(C[C@@H](C)NC(=O)CNC[C@@H]2CCCO2)c1	161347130	YSZMMPQZPCBTDP-WBVHZDCISA-N	304.434	2.119	70	20	DEID	
CCc1ccccc1C(=O)NCCCN1C[C@H](C)O[C@@H](C)C1	161373880	QLVMJCAJADWOGP-GJZGRUSLSA-N	304.434	2.478	70	20	DEID	
CN(C)Cc1ccc(C(=O)NCCNC(=O)OC(C)(C)C)cc1	161432496	UAGHTXLYSMMEJI-UHFFFAOYSA-N	321.421	2.003	70	20	DEID	
CCC[C@@H](C(=O)OCC)N1CCC([C@@H](O)C(F)(F)F)CC1	161457636	IKPUKZQIYRDKKR-NWDGAFQWSA-N	311.344	2.353	70	20	DEID	
O=S(=O)(Nc1ccn(CC(F)(F)F)n1)c1cccs1	160275012	GKYLXXMISTYTPY-UHFFFAOYSA-N	311.310	2.308	70	20	DEID	
COc1cc(/C=C/C(=O)N(C)[C@@H](C)CO)ccc1OC(C)C	160483969	AYCVKZUZEVQZQW-XOVSCCBYSA-N	307.390	2.335	70	20	DEID	
CC[C@H](NCc1ccccc1CN1CCOCC1)[C@@H]1CCOC1	160486824	OXUJYXDAYRIJPW-MOPGFXCFSA-N	318.461	2.424	70	20	DEID	
CC(C)Cc1ccc(S(=O)(=O)N2CCC(C)(O)CC2)cc1	160619947	DXAODOKCVDAXOQ-UHFFFAOYSA-N	311.447	2.421	70	20	DEID	
CCOc1ccccc1CCNC(=O)N(C)C[C@@H]1CCC[C@H]1O	160624636	QLPSBMIEPDBYJL-JKSUJKDBSA-N	320.433	2.430	70	20	DEID	
C[C@H](NC[C@H]1CCCC[C@@H]1O)c1ccc(-n2cncn2)cc1	160638765	CFQQDCHBRBDYGK-LXZKKBNFSA-N	300.406	2.469	70	20	DEID	
COCCN(CCO)C(=O)c1ccc(SC(F)(F)F)cc1	160652380	QZNMSIBUWCGSLG-UHFFFAOYSA-N	323.336	2.379	70	20	DEID	
CCN(CC)CCCNC(=O)N[C@H]1[C@H]2Cc3ccccc3[C@@H]21	160664027	MGTDUYYQOMNGOR-ULQDDVLXSA-N	301.434	2.356	70	20	DEID	
C[C@H](N[C@H](CN1CCCC1=O)c1ccccc1)c1cnccn1	160710674	UKPFJCZCIBTSIV-WMLDXEAASA-N	310.401	2.491	70	20	DEID	
CC[C@@H](CCO)CNC(=O)Nc1cc(C(=O)OC)cs1	160715951	LAONPMXONLEDDB-VIFPVBQESA-N	300.380	2.065	70	20	DEID	
CN(CC(C)(C)O)C(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1	160842481	NQJZLKVKIGRNFP-LSDHHAIUSA-N	306.406	2.319	70	20	DEID	
CCC(CC)(CNCc1nc(-c2ccco2)no1)C(=O)OC	159674010	LQJWACFVZKGHSI-UHFFFAOYSA-N	307.350	2.399	70	20	DEID	
CCC[C@H](N)C(=O)N(C)[C@H]1CCN(c2ccccc2Cl)C1=O	159746876	GGOJZYNJVUGMCF-JSGCOSHPSA-N	323.824	2.031	70	20	DEID	
CCC(CC)(CC)CNC(=O)N1CCS(=O)(=O)[C@@H](C)[C@H]1C	159794104	WCOICLUPXBWKAN-OLZOCXBDSA-N	318.483	2.420	70	20	DEID	
CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC1CCN(S(C)(=O)=O)CC1)C2	218462101	WVXDGMWMLBDHMV-NOLJZWGESA-N	314.495	2.215	70	20	DEID	
C#C[C@@H](CC)NC(=O)c1cc(S(=O)(=O)F)ccc1Cl	1354996988	SXYSDAWKUACBCZ-QMMMGPOBSA-N	303.742	2.140	70	20	DEID	
CC[C@@H](CC(F)(F)F)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1516700862	BOGDJPDJVLZOEZ-LURJTMIESA-N	316.276	2.134	70	20	DEID	
CCc1c(C(=O)NC[C@H](C)CCO)cnn1-c1ccccc1	161012873	VFKJYRHCCCJSFF-CYBMUJFWSA-N	301.390	2.183	70	20	DEID	
Cn1ccnc1CS(=O)(=O)Cc1ccc(F)cc1Cl	161166205	YOUXKXYOAXYGBS-UHFFFAOYSA-N	302.758	2.328	70	20	DEID	
CCCOc1ccc(/C=C/C(=O)NCCCN)cc1OCC	160137902	MZCOWSBSKYBSOR-VQHVLOKHSA-N	306.406	2.352	70	20	DEID	
O=C(CCC(=O)N1C[C@@H]2CCC[C@H](C1)N2)c1ccc(F)cc1	160145136	SDPGNCKGYVTLHI-GASCZTMLSA-N	304.365	2.142	70	20	DEID	
CCOc1ccc(CNC(=O)N2CCO[C@@H](C)[C@H]2C)cc1OC	160182655	JVGHWSKHTIHLGQ-OLZOCXBDSA-N	322.405	2.413	70	20	DEID	
C[C@H](NC(=O)c1ccco1)C(=O)N[C@@H]1CCOC2(CCCC2)C1	160183410	DCPMCXMRPMOVAZ-QWHCGFSZSA-N	320.389	2.006	70	20	DEID	
C[C@H]1CN(C(=O)[C@@H](N)C(C)(C)C)C[C@H](c2ccc(F)cc2)O1	160509899	VCEVQHHKAHFECY-NILFDRSVSA-N	308.397	2.488	70	20	DEID	
C[C@H]1CN(C(=O)[C@@H](N)C(C)(C)C)C[C@@H](c2ccc(F)cc2)O1	160510155	VCEVQHHKAHFECY-TUKIKUTGSA-N	308.397	2.488	70	20	DEID	
Cc1ccc(NC(=O)NC2CC=CC2)cc1NS(C)(=O)=O	160510179	DSNFGQJYMUXRRI-UHFFFAOYSA-N	309.391	2.207	70	20	DEID	
CC(C)C[C@H](CO)NC(=O)C(C)(C)NC(=O)Nc1ccccc1	160636056	GVASKPJNXGUARJ-CQSZACIVSA-N	321.421	2.110	70	20	DEID	
COC[C@@H](NC(=O)Nc1ccc2c(c1)N(C)CCO2)C1CC1	160760921	MNMCVRXKGYTNEY-CYBMUJFWSA-N	305.378	2.062	70	20	DEID	
CC1CCN(C2CCC(NS(=O)(=O)CCCF)CC2)CC1	160974762	CARIZSPTGXNRMB-UHFFFAOYSA-N	320.474	2.309	70	20	DEID	
CCCCOCCCNC(=O)c1cnc(C(F)(F)F)nc1	159511314	AIURCEWXJUMBLT-UHFFFAOYSA-N	305.300	2.432	70	20	DEID	
CCN1CCCN(C(=O)NCCc2cc(F)cc(F)c2)CC1	159786750	CWGPBGMDMKTTPN-UHFFFAOYSA-N	311.376	2.245	70	20	DEID	
O=C(OCC[C@@H]1CCCO1)c1ccc(S(=O)(=O)F)cc1	490535779	DEBRIGKTLSKOAT-NSHDSACASA-N	302.323	2.071	70	20	DEID	
O=C(OCCC1CCOCC1)c1cccc(S(=O)(=O)F)c1	1339915568	VGOOCRHYTIYHNK-UHFFFAOYSA-N	316.350	2.318	70	20	DEID	
COC[C@H](NC(=O)Nc1ccc(C(=O)OC)c(F)c1)C1CC1	161063045	FMJLIDNRWXSMIJ-ZDUSSCGKSA-N	310.325	2.159	70	20	DEID	
Cc1nc(Cc2noc(-c3csc([C@@H]4CCCO4)n3)n2)no1	161417942	XHMOGCYGABWOTO-VIFPVBQESA-N	319.346	2.327	70	20	DEID	
CCc1cccc(S(=O)(=O)NC[C@@H](O)c2cccc(F)c2)c1	160029921	VAGGTLWREFFNHU-MRXNPFEDSA-N	323.389	2.400	70	20	DEID	
CC(C)OC(=O)CCCNC(=O)N1CCSC(C)(C)C1	160073471	UZRRCIDEZZLJPW-UHFFFAOYSA-N	302.440	2.255	70	20	DEID	
O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)N(CCO)Cc1ccccc1	160264282	LMEBWKVTUPDWHW-IAGOWNOFSA-N	318.417	2.148	70	20	DEID	
CN[C@@H]1CCN(C(=O)CCc2ncc(-c3ccc(C)cc3)o2)C1	160463888	KEMOTMFWCIQIGE-OAHLLOKOSA-N	313.401	2.403	70	20	DEID	
CC[C@](C)(CCO)NC(=O)Nc1cc(C(=O)OC)cs1	160776155	FJEAVMCGMCIMBR-CYBMUJFWSA-N	300.380	2.207	70	20	DEID	
CN(Cc1cccn1C)C(=O)CCNC(=O)C1CCCCC1	160894636	LUMPYJWMVVWICO-UHFFFAOYSA-N	305.422	2.070	70	20	DEID	
O=C(CCc1ccc(F)cc1F)NCCCNC(=O)C1CCC1	160902817	QHBZOXHWSRWXIO-UHFFFAOYSA-N	324.371	2.320	70	20	DEID	
CCNC(=O)c1ccc(NC(=O)NCC(CC)(CC)CO)cc1	160947472	AHHHZOAEDPJSCS-UHFFFAOYSA-N	321.421	2.357	70	20	DEID	
O=C(Nc1ccc(F)c(F)c1F)C(=O)N1CCC2(CCC2)C1	159418090	JNSCBOSFOHHFEZ-UHFFFAOYSA-N	312.291	2.445	70	20	DEID	
CNS(=O)(=O)c1ccc([C@@H](C)N[C@H]2CCCSC2)cc1	159648437	MDLCDSVYQOAOSN-YPMHNXCESA-N	314.476	2.141	70	20	DEID	
CCN1CCCN(C(=O)NC[C@@H](C)Oc2ccc(C)cc2)CC1	159919650	GZCYZKUYSULVFX-MRXNPFEDSA-N	319.449	2.500	70	20	DEID	
C[C@H]1CN(C(=O)c2cccc(NC(=O)N(C)C)c2)[C@H](C)CO1	159573208	PBNRRCYJWRIMPD-NEPJUHHUSA-N	305.378	2.030	70	20	DEID	
C[C@H]1CCCCN1CCCCNC(=O)[C@@H](O)c1ccccc1	159593715	ZAIYVZJASJSJRY-RDJZCZTQSA-N	304.434	2.491	70	20	DEID	
CCNc1nc(C(=O)N(C)CCC(=O)OC(C)(C)C)cs1	160608425	RJNGPKBVUDAQLU-UHFFFAOYSA-N	313.423	2.379	70	20	DEID	
COC[C@H](C)CC(=O)Nc1ccc(F)c(CS(=O)(=O)F)c1	876319502	ZJNSOWCVNAEFLC-SECBINFHSA-N	321.345	2.236	70	20	DEID	
CC[C@H](C)[C@@H](CNC(=O)c1cccc(S(=O)(=O)F)c1)OC	1338817491	OZYXJBGCUSAYCQ-GXFFZTMASA-N	317.382	2.136	70	20	DEID	
O=S(=O)(F)c1ccc(N[C@@H]2CCCN3CCCC[C@@H]23)nc1	1550627343	FDSSMQONDMFKNR-OLZOCXBDSA-N	313.398	2.169	70	20	DEID	
COc1cc(C(=O)NCCc2cccs2)cc(OC)c1O	161009146	YLLLEBKTHDYIDT-UHFFFAOYSA-N	307.371	2.443	70	20	DEID	
CCc1n[nH]c(-c2ccccc2NC(=O)CCOCCOC)n1	161053980	RGAKNUNSWMYTGM-UHFFFAOYSA-N	318.377	2.026	70	20	DEID	
Cc1ncc([C@H](C)N[C@@H](C)C(=O)NCc2ccccc2)c(C)n1	161190642	STCDLFNHRWUVJJ-JSGCOSHPSA-N	312.417	2.449	70	20	DEID	
C[C@@H]1OCCN(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)[C@H]1C	161308852	GFVQYOZAGPAJLE-RYUDHWBXSA-N	315.377	2.123	70	20	DEID	
N[C@H]1CCC[C@H](NC(=O)c2ccc(OCC(F)(F)F)nc2)C1	161334293	GBSIZKJSBIRBNE-QWRGUYRKSA-N	317.311	2.022	70	20	DEID	
COC(=O)N[C@H](C(=O)OCc1nc(C)sc1C)C(C)C	161365306	NOKUMJMBIBTPCX-NSHDSACASA-N	300.380	2.184	70	20	DEID	
CCOC(=O)C1(C(=O)NCCCc2ccc(OC)cc2)CCC1	160315460	PCNYMCTWNHLWOU-UHFFFAOYSA-N	319.401	2.477	70	20	DEID	
CCN1CCC(NC(=O)c2csc([C@@H]3CCCO3)n2)CC1	160338000	ZQPUHTRCXIRDQA-ZDUSSCGKSA-N	309.435	2.209	70	20	DEID	
CC(C)n1ncc2c(C(=O)NC[C@H](C)CO)cc(C3CC3)nc21	160518300	PUZZQHAIFJBBEZ-NSHDSACASA-N	316.405	2.248	70	20	DEID	
CC[C@@H](C)[C@@H](O)CNC(=O)c1cc(OC)c(OC)cc1Cl	159401041	FXCIASWJRYALNY-SKDRFNHKSA-N	315.797	2.494	70	20	DEID	
O=C(N[C@@H]1C=C[C@H](CO)C1)c1cccc(OC(F)(F)F)c1	159826111	QBOVFAZBJKAFQA-GXSJLCMTSA-N	301.264	2.252	70	20	DEID	
CC(=O)N1CC[C@H](NC(=O)C2(Cc3ccccc3)CCC2)C1	159664922	HNVOHTOWQSOIQZ-INIZCTEOSA-N	300.402	2.136	70	20	DEID	
Cc1ccsc1CCCC(=O)N(C)[C@@H]1CCS(=O)(=O)C1	159890169	RZBUYNQGCOQLCF-GFCCVEGCSA-N	315.460	2.025	70	20	DEID	
O=C(N[C@H]1CCO[C@H](C2CC2)C1)N[C@H](CCO)c1ccccc1	159739360	VTUPJDHYBXRINI-BBWFWOEESA-N	318.417	2.367	70	20	DEID	
CC(C)[C@@H](C(=O)NC[C@H](C[C@H](C)O)c1ccccc1)N(C)C	159766348	VHDMBQWKKBMUCA-XIRDDKMYSA-N	306.450	2.244	70	20	DEID	
CC(C)n1nccc1C(=O)NCCOc1ncccc1Cl	159390730	QSFQOBSADBUXGS-UHFFFAOYSA-N	308.769	2.321	70	20	DEID	
C[C@H](NC(=O)CCc1ccc(S(=O)(=O)F)cc1)c1ccc[nH]1	1338027405	GIVXSUADUZGUIU-NSHDSACASA-N	324.377	2.483	70	20	DEID	
Cc1nc(CC(C)C)c(NC(=O)C(=O)NCc2ccco2)s1	161003734	DXBCBTFNVQLKMQ-UHFFFAOYSA-N	321.402	2.498	70	20	DEID	
CC[C@@H](CCO)CNC(=O)NC[C@H]1CCCCN1CC(C)C	161016924	OEEOTNLGMRRGSC-JKSUJKDBSA-N	313.486	2.205	70	20	DEID	
CN(CCCn1ccnc1)CC1CCN(C(=O)C(C)(C)C)CC1	161210234	HBUSQMAOXVBCDB-UHFFFAOYSA-N	320.481	2.490	70	20	DEID	
C[C@H]1CN(CCCN2CCCCC2)CCN1CC(F)(F)F	161461455	FILKNHGLKQZHCG-AWEZNQCLSA-N	307.404	2.431	70	20	DEID	
C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Nc1ncnc2nc[nH]c12	160242606	ZJLGIKFAUYYRLE-OCCSQVGLSA-N	308.389	2.285	70	20	DEID	
CC(C)CCC1CCN(C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1	160249769	XQKABIOJEKXBHI-CQSZACIVSA-N	316.467	2.031	70	20	DEID	
NC(=O)c1cccc(NC(=O)C23C[C@H]4C[C@@H](CC(F)(C4)C2)C3)n1	160301900	LJCWAMJLYLEFBY-QQJLWGBUSA-N	317.364	2.428	70	20	DEID	
Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)Nc2ccsc2)C1	160502599	OHTXALZNGVEWBQ-DGCLKSJQSA-N	320.418	2.459	70	20	DEID	
CC(C)[C@@H](CCO)NC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2	160574732	ACNUNQIBUVAFDX-CMPLNLGQSA-N	322.430	2.256	70	20	DEID	
COC[C@@H](NC(=O)Nc1ccc([S@](C)=O)c(F)c1)C1CC1	160577169	DHUAUCUYUCBSPE-XUSGNXJCSA-N	314.382	2.110	70	20	DEID	
CCN(CCO)C(=O)N[C@@H](c1ccco1)c1ccccc1OC	160642135	JLKZQOQHTONRDW-MRXNPFEDSA-N	318.373	2.401	70	20	DEID	
CC[C@@H](O)CCNC(=O)N[C@@H](C)c1cccc(NC(C)=O)c1	160936562	APEPERZPVZTBGL-XHDPSFHLSA-N	307.394	2.166	70	20	DEID	
CCC(O)(CC)CNC(=O)Nc1ccc(C(C)(C)C(N)=O)cc1	159852151	HKHZPQKXOBWUIM-UHFFFAOYSA-N	321.421	2.122	70	20	DEID	
CO[C@@H]1CCC[C@H]1NC(=O)NCc1ccnc(N2CCCC2)c1	159861518	SARAPSNYUFHWHH-HUUCEWRRSA-N	318.421	2.049	70	20	DEID	
C[C@@H](CO[C@@H]1CCOC1)NC(=O)N1CCc2cccc(F)c2C1	159863483	KEJVZZDPLTUMLK-GXTWGEPZSA-N	322.380	2.087	70	20	DEID	
CN(C[C@@H]1CCC[C@@H]1O)C(=O)NC1CCN(C(C)(C)C)CC1	159738873	CDZLCWRMYOXMQW-ZFWWWQNUSA-N	311.470	2.052	70	20	DEID	
C[C@@H]1OCCN(C(=O)NCc2ccc(N3CCCC3)nc2)[C@@H]1C	159541528	HDFMGZVIEJTTNK-KGLIPLIRSA-N	318.421	2.001	70	20	DEID	
O=S(=O)(NC[C@H](O)C1CCCCC1)c1ccc(F)c(F)c1	159551923	GZAXRQQCFRGKQZ-AWEZNQCLSA-N	319.373	2.184	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)c1c(-c2ccccn2)noc1C	159562799	HPDKJNHCYWIJBR-JTQLQIEISA-N	317.345	2.117	70	20	DEID	
O=C(Cc1ccccc1Br)NC[C@@H]1CCCCN1	217268384	VXPHOOKWEXASLK-LBPRGKRZSA-N	311.223	2.250	70	20	DEID	
O=C(CC1CCSCC1)Nc1ncc(S(=O)(=O)F)s1	953095864	WWTNGHNULYLXJY-UHFFFAOYSA-N	324.424	2.273	70	20	DEID	
CC[C@](C)(C#N)NC(=O)CCc1ccc(S(=O)(=O)F)cc1	1340579565	KBCPOAZCMONMJZ-CQSZACIVSA-N	312.366	2.086	70	20	DEID	
C[C@@H]1CCC[C@@H](C)C1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1354031715	KJKFBXPPAHAFMU-RKDXNWHRSA-N	302.371	2.227	70	20	DEID	
CCCN1CCC(N(C)C(=O)NCC2(CCOC)CC2)CC1	161161331	QEWZYBQCCCKADW-UHFFFAOYSA-N	311.470	2.319	70	20	DEID	
CCc1ncc(NC(=O)NCCCCn2ccnc2C)cn1	161214055	UPESAKUNUVSOQI-UHFFFAOYSA-N	302.382	2.146	70	20	DEID	
CSCc1noc(CCc2nc(-c3ccncc3)no2)n1	161337527	CEFSSGZJCSYNRQ-UHFFFAOYSA-N	303.347	2.163	70	20	DEID	
CCCCn1ncc(NC(=O)NC[C@](C)(O)CSC)c1C	160028467	RJBYIARKXLRDMO-AWEZNQCLSA-N	314.455	2.227	70	20	DEID	
CC(C)c1cc(C(=O)NCCCN)c2cnn(C(C)C)c2n1	160048366	QAMYTORUVBILGC-UHFFFAOYSA-N	303.410	2.214	70	20	DEID	
CCc1ccc(S(=O)(=O)Nc2cccn(C)c2=O)cc1CC	160179534	QCSJCYHCIZLTPQ-UHFFFAOYSA-N	320.414	2.311	70	20	DEID	
Cc1ccc(CCC(=O)NC[C@@H](O)CN2CCCCC2)c(C)c1	160249894	SLXBVXRHRCUKQN-GOSISDBHSA-N	318.461	2.199	70	20	DEID	
COc1cccc2c1CC[C@H]2NC(=O)N[C@@H](C)Cn1ccnc1	160280696	ZCWFZXCARDZBDO-SWLSCSKDSA-N	314.389	2.267	70	20	DEID	
CC(C)(C)c1nsc(NC[C@H]2COC3(CCOCC3)O2)n1	160289547	IMANFYLHSUUVPN-JTQLQIEISA-N	313.423	2.170	70	20	DEID	
CSC[C@@](C)(O)CNC(=O)NCCOC1CCCCCC1	160333932	IELFDEZPKXXWJX-HNNXBMFYSA-N	318.483	2.139	70	20	DEID	
C[C@@H](CC(=O)c1cccs1)NC(=O)c1ccc(C(N)=O)cc1	160917856	FLTNWXXJMIPBEW-JTQLQIEISA-N	316.382	2.238	70	20	DEID	
CCCC(=O)N1CCC[C@@H](C(=O)NCC2(CCOCC)CC2)C1	159402782	KFBRSERUHOEVKQ-OAHLLOKOSA-N	324.465	2.348	70	20	DEID	
CCC(CC)n1ncc(C(=O)NCc2nncn2CC)c1C	159410178	KJORZTIIQQEXEC-UHFFFAOYSA-N	304.398	2.094	70	20	DEID	
CC(C)C[C@@H]1CCN(C(=O)c2ccc3[nH]c(=O)n(C)c3c2)C1	159437101	RRSDCHAXVFWFHD-LBPRGKRZSA-N	301.390	2.375	70	20	DEID	
Cc1ccc(NC(=O)[C@H]2CCCNC2)cc1C(=O)NC(C)C	159499835	NMIPSQQHKYEEIY-ZDUSSCGKSA-N	303.406	2.071	70	20	DEID	
C[C@@H]1CCO[C@@H]1C(=O)Nc1cccc(S(=O)(=O)C(F)F)c1	159891818	LTHXDNBWLTWEOQ-KCJUWKMLSA-N	319.329	2.046	70	20	DEID	
O=S(=O)(NCC1(CO)CCCC1)c1ccc(F)cc1Cl	160347202	MQQJJQAHAJRFIQ-UHFFFAOYSA-N	321.801	2.310	70	20	DEID	
CC[C@@H](CSC)NC(=O)c1cccc(S(=O)(=O)F)c1	1338261392	UJFZYLNDOUCGCH-JTQLQIEISA-N	305.396	2.216	70	20	DEID	
C[C@@H]1CCC[C@H](N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1337667623	VVPCDPGXTWOHMC-ZJUUUORDSA-N	302.371	2.324	70	20	DEID	
Cn1cncc1CNC[C@@H]1CCCCN1C(=O)OC(C)(C)C	218149094	AZBXPPKTCGHESU-ZDUSSCGKSA-N	308.426	2.299	70	20	DEID	
CSCC[C@H](N)C(=O)N[C@H]1C[C@@H]1c1c(F)cccc1F	161022611	XNBMUAPFLJNRMQ-UWJYBYFXSA-N	300.374	2.017	70	20	DEID	
CCNCC1CCN(C(=O)c2cc(-c3ccncc3)on2)CC1	161134516	YFRZBIBMSKGXFJ-UHFFFAOYSA-N	314.389	2.198	70	20	DEID	
C[C@@H](C(=O)Nc1cccc(F)c1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O	161153702	QYRGXABBOVUVET-ZLKJLUDKSA-N	318.348	2.328	70	20	DEID	
C[C@@H](NCCCc1nnc2n1CCCCC2)C1CCOCC1	161190431	DTBFVFHDNLPZDE-CQSZACIVSA-N	306.454	2.342	70	20	DEID	
CCC(CC)(CN)C(=O)N[C@H]1C[C@H](C)N(c2ccccc2)C1=O	161246317	GOXCMJWDYHNADG-ZFWWWQNUSA-N	317.433	2.062	70	20	DEID	
CCOC(=O)[C@@H]1CCCCN1Cc1c(CC)nn(C)c1CC	161286003	XGUKYSBGWDDGCT-INIZCTEOSA-N	307.438	2.463	70	20	DEID	
CCn1nc(C(C)C)cc1C(=O)Nc1c(C)ccn(C)c1=O	161361971	XIXAYVNIYIMKPS-UHFFFAOYSA-N	302.378	2.286	70	20	DEID	
Cc1c(/C=C/C(=O)NCCN2c3ccccc3C[C@@H]2C)cnn1C	161485690	IHVHQSICUQESNK-VFNNOXKTSA-N	324.428	2.309	70	20	DEID	
C[C@@H]1CCC[C@H](C(=O)N2CCN(C(=O)c3ccccn3)CC2)C1	160020525	IQFDMDGKNHWJCI-CABCVRRESA-N	315.417	2.192	70	20	DEID	
CN(C)CCN(CC1CCCCC1)C(=O)NCCn1cccn1	160037903	HWTJSIMVAIGLEH-UHFFFAOYSA-N	321.469	2.037	70	20	DEID	
CCNC(=O)C(C)(C)CNC(=O)N1CCc2cccc(F)c2C1	160150702	YCAJBINYBGEABM-UHFFFAOYSA-N	321.396	2.056	70	20	DEID	
CN(Cc1ccccc1)CC(C)(C)CN1CCC[C@@H]1C(N)=O	160346107	SSTJEBHYGFHVGU-MRXNPFEDSA-N	303.450	2.094	70	20	DEID	
COc1ccc([C@H]2CCCN2Cc2nncn2C)c(OC)c1	160717280	QMEYIXMRHJITGD-CQSZACIVSA-N	302.378	2.169	70	20	DEID	
COC[C@H]1CCCN(C(=O)Nc2ccn(CC(F)(F)F)n2)C1	160734292	TYOJEGLEHHRGHK-JTQLQIEISA-N	320.315	2.336	70	20	DEID	
CC(C)CCn1ccc(NC(=O)NC[C@H]2CCCN(C)C2)n1	160882370	QQMNMFYEIDBWHF-CQSZACIVSA-N	307.442	2.393	70	20	DEID	
Cc1nccn1-c1ccc([C@H](C)NCC(=O)NC(C)C)cc1	160956501	MLWVACJBQDVFAQ-ZDUSSCGKSA-N	300.406	2.356	70	20	DEID	
COC(=O)[C@@H](C)NC(=O)CSc1nccc2ccccc12	159630778	MTYKNPHYEFZRFZ-SNVBAGLBSA-N	304.371	2.005	70	20	DEID	
CCc1ccc(NC(=O)C(=O)NC[C@H]2CSCCS2)cc1	159681057	HLJMXJDGHSHZMO-ZDUSSCGKSA-N	324.471	2.152	70	20	DEID	
CCCNC(=O)CCC(=O)N[C@H]1CCc2c(OC)cccc21	159880162	SLAZRFWJNNEFPK-AWEZNQCLSA-N	304.390	2.105	70	20	DEID	
CC1CCN(C(=O)CN(C)Cc2cccc(N(C)C)c2)CC1	159793500	GQSUHABRHHYUJA-UHFFFAOYSA-N	303.450	2.443	70	20	DEID	
CC1CCN(S(=O)(=O)Nc2cccc(Cl)c2O)CC1	160392854	AUTAHUCWPJGTKC-UHFFFAOYSA-N	304.799	2.434	70	20	DEID	
Cc1cc(C)c(S(=O)(=O)NCCSCCCO)c(C)c1	161323427	MZDJFYDQRNDTRG-UHFFFAOYSA-N	317.476	2.006	70	20	DEID	
COc1ncccc1NC(=O)c1ccc(S(=O)(=O)F)cc1	864239748	JQLXRCKRPREWRT-UHFFFAOYSA-N	310.306	2.001	70	20	DEID	
CCc1cnc(COC(=O)c2cc(S(=O)(=O)F)c[nH]2)s1	1338052827	VWCNLGVDWALLDM-UHFFFAOYSA-N	318.351	2.049	70	20	DEID	
COC[C@@H](O)CCNC(=O)c1cc(C)c(OC(F)F)c(C)c1	161101745	ZUSXMQFJOFBLGX-LBPRGKRZSA-N	317.332	2.032	70	20	DEID	
COc1ccc(N(C)C(=O)CNC[C@H]2CCCO2)cc1Cl	161440878	YCOFOLOIIQUDRX-GFCCVEGCSA-N	312.797	2.080	70	20	DEID	
Cc1c([C@H](C)NC2CCN(C)CC2)nnn1-c1ccc(F)cc1	161485958	YGPLGUNDBHAFRF-LBPRGKRZSA-N	317.412	2.460	70	20	DEID	
Cc1cccc([C@H](CC(=O)NCC2(C3CC3)CC2)NC(N)=O)c1	160038288	HYXOASNCFRWELW-HNNXBMFYSA-N	315.417	2.401	70	20	DEID	
O=C(Cc1ccsc1)NC1CCN([C@H]2CCCC[C@H]2O)CC1	160303525	GYUNDYDWZWUTJC-JKSUJKDBSA-N	322.474	2.175	70	20	DEID	
NC(=O)[C@@H]1CCCN1Cc1ccccc1OCc1ccccn1	160329880	GUETXMSBTSOGSO-INIZCTEOSA-N	311.385	2.110	70	20	DEID	
CC[C@H](C)[C@H](O)CNC(=O)c1c(-c2ccccn2)noc1C	160447762	UXTWVSHDUFHDPD-GXFFZTMASA-N	303.362	2.182	70	20	DEID	
Cc1nc2n(n1)C[C@H](N[C@H](C)c1ccc3c(c1)OCCO3)CC2	160451870	VJNMZENUSIGUQX-BXUZGUMPSA-N	314.389	2.023	70	20	DEID	
COC[C@H](O)CNC(=O)Nc1ccc(COC2CCCC2)cc1	160538826	BWQVCYNMKUGAJR-OAHLLOKOSA-N	322.405	2.275	70	20	DEID	
CCOC(=O)NCCCC(=O)N[C@@H](C)COc1cccc(C)c1	160573501	ABPTWCOVPKZCRY-AWEZNQCLSA-N	322.405	2.405	70	20	DEID	
CC[C@@]1(C)C[C@@H]1C(=O)N(C)Cc1nc2ccsc2c(=O)[nH]1	160621225	RLGRLAFUVAYZES-PSLIRLAXSA-N	305.403	2.379	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)c1ccn(-c2ccc(F)cc2)n1	160641263	XLQCIICPMCABMH-LLVKDONJSA-N	319.336	2.083	70	20	DEID	
COC(=O)c1coc(S(=O)(=O)Nc2c(C)cccc2F)c1	160807757	WYVZIJIMXVIMLB-UHFFFAOYSA-N	313.306	2.315	70	20	DEID	
C[C@H]1CCC[C@H](CNC(=O)c2ccc3[nH]c(=O)n(C)c3c2)C1	160783776	UEKIAUDFPYRXQI-RYUDHWBXSA-N	301.390	2.423	70	20	DEID	
Cc1cc(NC(=O)Nc2ccn(C)n2)ccc1C(=O)N(C)C	160869951	CWZPHHOPLFVHBX-UHFFFAOYSA-N	301.350	2.074	70	20	DEID	
CCCC(=O)N1CCC[C@@H]1C(=O)NCC1(CCOCC)CC1	159402088	KYGHVCWOZZGYLM-CQSZACIVSA-N	310.438	2.101	70	20	DEID	
CC(C)c1ccc(C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)cn1	159864917	DNARQBSXARRHQP-ZDUSSCGKSA-N	303.406	2.334	70	20	DEID	
C[C@H](Oc1cccnc1)C(=O)NCCNC1CCCCCC1	159696367	LLCZUYHTCFRPJX-AWEZNQCLSA-N	305.422	2.278	70	20	DEID	
Cc1cc(NC(=O)COc2ccc(F)cc2Cl)c[nH]c1=O	159509272	OOJSNZDNUHUBFV-UHFFFAOYSA-N	310.712	2.493	70	20	DEID	
CCCCCOc1ccc(S(=O)(=O)NC[C@@H](C)CO)cc1	159725805	MAYLIYPLEQWZRE-CYBMUJFWSA-N	315.435	2.162	70	20	DEID	
CCc1ccc(C(=O)CCC(=O)N2CC[C@]3(CCNC3)C2)cc1	159378459	INRLEABJUGITDM-IBGZPJMESA-N	314.429	2.424	70	20	DEID	
CCOc1cccc(CNC(=O)C(=O)Nc2ccc(C)nc2)c1	159989145	NEFQKEDIXHALBO-UHFFFAOYSA-N	313.357	2.044	70	20	DEID	
CCC[C@H](CNC(=O)c1cccc(S(=O)(=O)F)c1)OCC	1337492180	TXVUUDADOFAOOM-GFCCVEGCSA-N	317.382	2.280	70	20	DEID	
CN(CCCNC(=O)NOCc1cccnc1)C1CCCCC1	161075044	FONYUYJTXLUEGB-UHFFFAOYSA-N	320.437	2.467	70	20	DEID	
CCCNC(=O)CCNC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F	161370581	LNMFOGRAIBJBDO-NWDGAFQWSA-N	310.344	2.101	70	20	DEID	
C[C@H](c1ccncc1)N(C)C(=O)CNC(=O)CC1CCCC1	161491695	OIDACZXDNBHBMD-CYBMUJFWSA-N	303.406	2.298	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)CCc1nnc(C2CCCC2)o1	160086432	ZPIGZNDCIWFDAQ-LLVKDONJSA-N	323.393	2.118	70	20	DEID	
O=C(NCC1(C2CC2)CC1)c1cccc(N2C(=O)CCC2=O)c1	160149800	SRIZCKIKZWNDBU-UHFFFAOYSA-N	312.369	2.260	70	20	DEID	
Cc1ccc(Cl)cc1NC(=O)C(=O)NCCn1cccc1	160258149	ZAAAGEAKERRMIF-UHFFFAOYSA-N	305.765	2.205	70	20	DEID	
CC(C)OCCCN(C)[C@@H](C)c1cccc(S(N)(=O)=O)c1	160351466	RDEOPOHSOZCWSC-ZDUSSCGKSA-N	314.451	2.142	70	20	DEID	
CN(C)C(=O)CCCS(=O)(=O)c1ncc(C(C)(C)C)s1	160406446	BCMWSFNJFQTOJC-UHFFFAOYSA-N	318.464	2.083	70	20	DEID	
Cn1cnc2cc(C(=O)NCCCc3cccc(F)c3)cnc21	160450990	FHPMTBTUYOWGCP-UHFFFAOYSA-N	312.348	2.470	70	20	DEID	
Cc1nnc(SCCC(=O)NCCCSCC(C)C)[nH]1	160781785	LPBDIRYXMKQZAH-UHFFFAOYSA-N	316.496	2.491	70	20	DEID	
CC[C@H]1CCCC[C@@H]1N(C)C(=O)c1nc2nccc(C)n2n1	160956980	VDCHZUDMWHAMGQ-STQMWFEESA-N	301.394	2.474	70	20	DEID	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCC(C)(C)N1CCOCC1	159490918	FNNGDLFEXSIBNJ-ZIAGYGMSSA-N	322.474	2.387	70	20	DEID	
CC(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)CN1CCOCC1	159910331	ATEPQMOANITKFZ-FUHWJXTLSA-N	318.461	2.338	70	20	DEID	
C[C@H]1CC[C@H](CC(=O)Nc2cccc(S(=O)(=O)F)c2)O1	460094507	PZQDWMQJEVOOGL-GXSJLCMTSA-N	301.339	2.241	70	20	DEID	
COC(C)(C)C[C@H](C)NC(=O)c1ccc(S(=O)(=O)F)cc1	864239483	KMRILTSUMPYIPW-JTQLQIEISA-N	317.382	2.278	70	20	DEID	
C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H]2CCCC[C@@H]12	1123743434	QBQHMDKIAIAIAM-SUZMYJTESA-N	314.382	2.324	70	20	DEID	
CCS[C@@H]1CCC[C@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1336961251	HNMCCEUKIKCCDV-MWLCHTKSSA-N	320.411	2.077	70	20	DEID	
O=C(N[C@@H]1CCC[C@H]1O)C1(c2ccccc2Cl)CCOCC1	161210414	JVKRPRUXHFIPOH-HUUCEWRRSA-N	323.820	2.418	70	20	DEID	
CCOc1ccc(OC)cc1NC(=O)N1CCC[C@@](C)(O)C1	161379660	NJLBOXYLKAHKAV-MRXNPFEDSA-N	308.378	2.473	70	20	DEID	
COC[C@H](O)CCNC(=O)c1cccc(Oc2ccncc2)c1	161474537	VQEMHNONGWAECL-CQSZACIVSA-N	316.357	2.001	70	20	DEID	
O=C(CCN1C(=O)CCc2ccccc21)NCc1cccc(O)c1	160225994	GSXLPJFSIXMOLP-UHFFFAOYSA-N	324.380	2.378	70	20	DEID	
CN(C(=O)c1cn(-c2ccccc2)nn1)c1ccc2c(c1)OCO2	160481041	UGPBDVLMYGJRIG-UHFFFAOYSA-N	322.324	2.273	70	20	DEID	
CC1(C)C[C@@H](NC(=O)c2cccc(-c3ncn[nH]3)c2)CCO1	160623669	RZEBANFKDJSGNH-ZDUSSCGKSA-N	300.362	2.159	70	20	DEID	
O=C(CCn1ccccc1=O)N[C@H]1CCOC2(CCCCC2)C1	160783861	RKXKOPFHKANNNN-HNNXBMFYSA-N	318.417	2.237	70	20	DEID	
CN(C)C1(CNC[C@H](O)COCc2cccs2)CCCC1	160897310	IQCVJQYAMJXROT-AWEZNQCLSA-N	312.479	2.090	70	20	DEID	
Cc1ccc([C@@H](O)CNS(=O)(=O)Cc2cccc(C)c2)cc1	159431993	YODICBGSEGWJNJ-KRWDZBQOSA-N	319.426	2.456	70	20	DEID	
CCOC(=O)CN(C)CC(=O)N[C@@H](c1ccc(F)cc1)C(C)C	159494096	IHJIEVBVOHSZKG-QGZVFWFLSA-N	324.396	2.134	70	20	DEID	
Cc1noc(NC(=O)c2cc(NC(=O)N(C)C)ccc2Cl)n1	159890196	QPFGZVLLWWUGKC-UHFFFAOYSA-N	323.740	2.377	70	20	DEID	
CC[C@H](C)NC(=O)C(=O)Nc1cc(C)ccc1-n1cc(C)cn1	159908567	HKTIEYGXVXRGMY-ZDUSSCGKSA-N	314.389	2.342	70	20	DEID	
CCN1CCCN(C(=O)NC[C@@]2(N(C)C)CCC[C@H](C)C2)CC1	159728270	QASGRPZYZRXJKW-FUHWJXTLSA-N	324.513	2.234	70	20	DEID	
COc1ccc(F)cc1[C@H](C)NC(=O)C1(O)CCSCC1	159958974	VRHIGRSKIGAXCW-JTQLQIEISA-N	313.394	2.270	70	20	DEID	
CC[C@H]1CCCCN1C(=O)[C@H](C)SCCN1CCOCC1	159764206	IAQYHVFWTLIYGR-GJZGRUSLSA-N	314.495	2.231	70	20	DEID	
C[C@H](Oc1cccnc1)C(=O)Nc1ccc(S(=O)(=O)F)cc1	187236033	OKNOKKXNOPSHRM-JTQLQIEISA-N	324.333	2.146	70	20	DEID	
C[C@H]1[C@@H](C)SCCN1C(=O)c1ccc(S(=O)(=O)F)cc1	865208015	SPSHTQZLGCPPFM-VHSXEESVSA-N	317.407	2.311	70	20	DEID	
Cc1cc2c[nH]nc2cc1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1123524296	PEAUSMJHMVDWLA-UHFFFAOYSA-N	322.321	2.110	70	20	DEID	
C[C@H]1CCC[C@@H]1CNC(=O)Cc1ccc(S(=O)(=O)F)cc1	1121121550	ZOSIUXVSDTUSFQ-WCQYABFASA-N	313.394	2.440	70	20	DEID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N[C@H]1CSC[C@H]1C	1354971930	XOQCOGWBRBCXDF-SKDRFNHKSA-N	317.407	2.135	70	20	DEID	
CCC[C@@H](C(=O)NC[C@H](c1ccccc1OC)N(C)C)N(C)C	161244057	NIBCFJASEVKGEU-JKSUJKDBSA-N	321.465	2.144	70	20	DEID	
C[C@H]1[C@@H](C)OCCN1C(=O)Nc1ccc(-c2ncn(C)n2)cc1	161309052	GFVQYOZAGPAJLE-NWDGAFQWSA-N	315.377	2.123	70	20	DEID	
CSCC[C@@H](CO)NC(=O)Nc1ccc(N(C)C)cc1C	161445430	PEOCSKJKBBRHFS-LBPRGKRZSA-N	311.451	2.297	70	20	DEID	
CN(c1ccccc1NC(=O)c1ccccc1F)S(C)(=O)=O	161474721	RMOBROVBUCMYFF-UHFFFAOYSA-N	322.361	2.474	70	20	DEID	
Cc1cc(Cl)cc(C(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)c1	160556863	JVNMVMOOGOKVMJ-BXUZGUMPSA-N	306.793	2.389	70	20	DEID	
COc1ccc([C@@H]2CCCN2Cc2nncn2C)c(OC)c1	160717404	QMEYIXMRHJITGD-AWEZNQCLSA-N	302.378	2.169	70	20	DEID	
CSC[C@](C)(O)CNC(=O)NC[C@@H]1CCc2ccccc21	159600778	KFFNQEQUNAYHNO-XJKSGUPXSA-N	308.447	2.130	70	20	DEID	
CC(C)(N)C(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1	159768370	OSMKOSNNNHHCGI-UHFFFAOYSA-N	316.361	2.202	70	20	DEID	
C[C@H]1CCC[C@H](C(=O)NCCc2nnc3n2CCCCC3)C1	159571708	ZBGBZCOCOQRWLK-KBPBESRZSA-N	304.438	2.490	70	20	DEID	
CO[C@H](CNC(=O)c1ccnc(-n2cccn2)c1)c1ccccc1	159397705	XLPNQNCUIITRRY-MRXNPFEDSA-N	322.368	2.385	70	20	DEID	
Cc1ncc(C(=O)Nc2ccc(S(=O)(=O)F)cc2)c(C)n1	123149813	DQTPPZKQMXWACH-UHFFFAOYSA-N	309.322	2.004	70	20	DEID	
O=C(NCCc1ccc(F)cc1)NCc1ccc(CO)cc1	217533367	MLAHTKBENOWNRF-UHFFFAOYSA-N	302.349	2.360	70	20	DEID	
CC(C)N1C[C@@H](NC(=O)NCc2cccc(Cl)c2)CC1=O	217289198	UZIUUKAWVNNLIV-ZDUSSCGKSA-N	309.797	2.149	70	20	DEID	
COC(=O)c1ncn(Cc2cccc(Br)c2C)n1	160130121	NGOZEIDMBWNPSR-UHFFFAOYSA-N	310.151	2.184	70	20	DEID	
COCCC(C)(C)CNC(=O)c1ccc(S(=O)(=O)F)cc1	864240947	FPQVFUGUHKRTSV-UHFFFAOYSA-N	317.382	2.137	70	20	DEID	
O=C(NCC[C@H]1CCCCO1)c1ccc(S(=O)(=O)F)cc1	864240874	DCQCYVUJRJLPSU-GFCCVEGCSA-N	315.366	2.034	70	20	DEID	
CC[C@H](O)CN(Cc1ccccc1)C(=O)NC1CCC(O)CC1	161083417	WYQDAIXNSGNHFI-CGZBRXJRSA-N	320.433	2.273	70	20	DEID	
CNC[C@@H]1CCCN1C(=O)c1ccc(NC(=O)C(C)C)cc1	161308078	PRURYQYNRSFGLY-HNNXBMFYSA-N	303.406	2.105	70	20	DEID	
CC(C)Cn1cc(NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cn1	161337518	KLEZWJHTGXZTLT-JKSUJKDBSA-N	314.389	2.319	70	20	DEID	
CC[C@H](C)OCC(=O)Nc1ccc(CCN2CCOCC2)cc1	160266236	CTUXXYHLPKHDIQ-HNNXBMFYSA-N	320.433	2.315	70	20	DEID	
CNC(=O)[C@@H](C)CN(C)C(=O)C[C@H](C)c1ccc(F)cc1F	160411327	UZZHAPXLUVCRSZ-QWRGUYRKSA-N	312.360	2.299	70	20	DEID	
CC(C)C(=O)NCCN(C)C(=O)Nc1cc(F)c(F)cc1F	160662976	MMXQWKWOJXXNSL-UHFFFAOYSA-N	317.311	2.340	70	20	DEID	
CCOC(=O)CCCNC(=O)Nc1ccn(CCC(C)C)n1	160727554	IJHUNKYPESABLK-UHFFFAOYSA-N	310.398	2.394	70	20	DEID	
CCCC1(CNC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)CC1	160836048	FBZIBASMIUEGRL-ZBFHGGJFSA-N	315.417	2.298	70	20	DEID	
CCO[C@H]1C[C@H](N(C)C(=O)c2cnc3c(c2)ncn3C)C1(C)C	159885259	UVIPVVCWJTWECV-KBPBESRZSA-N	316.405	2.244	70	20	DEID	
Cc1cc(C)cc(NC(=O)C(=O)NC[C@H]2CSCCS2)c1	159707315	CZMIKHQQXOFXSL-ZDUSSCGKSA-N	324.471	2.207	70	20	DEID	
COc1ccc(N(C)C(=O)[C@@H](C)OC[C@@H]2CCCO2)cc1F	159707869	DOBNASUVPRFXQZ-YPMHNXCESA-N	311.353	2.381	70	20	DEID	
CC(=O)N1CC[C@@H](NC(=O)c2cccc(OCC=C(C)C)c2)C1	159556424	SLVXJHXUMWZFKH-MRXNPFEDSA-N	316.401	2.382	70	20	DEID	
CC(C)(C)N1C[C@@H](NC(=O)Nc2ccc(F)cc2F)CC1=O	217286192	JJHLVKNVPBEIPX-JTQLQIEISA-N	311.332	2.486	70	20	DEID	
CCN(Cc1cnc(C(C)C)s1)[C@H]1CCS(=O)(=O)C1	160537053	CHKXVOJNXOQJFR-NSHDSACASA-N	302.465	2.276	70	20	DEID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)c1cc(C2CC2)no1	460091264	JMJTUZFMRFLENJ-UHFFFAOYSA-N	310.306	2.463	70	20	DEID	
C[C@@H]1C[C@@H]1CNc1ccc([N+](=O)[O-])cc1CS(=O)(=O)F	881807836	FYYCELFXKHYBRS-RKDXNWHRSA-N	302.327	2.462	70	20	DEID	
CO[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)F)cc1	1349519431	TYVHVPJCWQTUSJ-NWDGAFQWSA-N	301.339	2.098	70	20	DEID	
CCCCn1ncc(C(=O)NCCCOC[C@H]2CCCO2)c1C	161183700	KYSLINHSTLJXSW-OAHLLOKOSA-N	323.437	2.307	70	20	DEID	
C[C@@H]1CCC[C@@H](NC(=O)CSc2ncnc3[nH]cnc23)[C@@H]1C	161392135	DNQPPAYWMBVQNA-GMTAPVOTSA-N	319.434	2.386	70	20	DEID	
Cc1ccc(OCCCNC(=O)N2CCC[C@](C)(O)C2)cc1	161473082	FFGDBUDOPPVGOP-KRWDZBQOSA-N	306.406	2.320	70	20	DEID	
CN(C(=O)Cc1ccc(F)cc1Cl)[C@H]1CCCCNC1=O	160064368	HDKKVSLUCMBUOT-ZDUSSCGKSA-N	312.772	2.149	70	20	DEID	
CC(C)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(F)nc2)CC1	160072716	LTNJMZHQYVOZHW-GFCCVEGCSA-N	307.369	2.444	70	20	DEID	
C[C@H](CCc1ccc(O)cc1)NC(=O)N1CCC[C@](C)(O)C1	160083305	XOPMETGGRLBKDL-DYVFJYSZSA-N	306.406	2.270	70	20	DEID	
C[C@H](C(=O)NCC1CCN(CCN(C)C)CC1)c1cccs1	160142652	IEMJMUQRMMSVQM-AWEZNQCLSA-N	323.506	2.241	70	20	DEID	
O=C(Nc1nnc(C(F)F)s1)N1CCOC2(CCC2)C1	160224753	RYUAMLLISLYCAE-UHFFFAOYSA-N	304.322	2.263	70	20	DEID	
COc1ccc([C@@H](C)N[C@H]2CCc3nc(C)nn3C2)c(F)c1	160329206	BLKKNMCVRXUURX-PWSUYJOCSA-N	304.369	2.400	70	20	DEID	
COc1cccc(-c2cc(C(=O)N[C@@H](C)[C@@H]3CCOC3)[nH]n2)c1	160354905	GEWZPIPDUXWIBI-WCQYABFASA-N	315.373	2.240	70	20	DEID	
CC(C)n1nccc1C(=O)Nc1ccc(C(=O)N(C)C)cc1	160374324	UAMZNHUZYCMDLK-UHFFFAOYSA-N	300.362	2.418	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)c1cnn(-c2ccccc2C)c1	160500835	MPJBONINCCLTLT-CYBMUJFWSA-N	315.373	2.252	70	20	DEID	
COc1cc(C)ccc1CNc1nnc(Cl)cc1C(N)=O	160523872	MJMMFEVPBSMYRM-UHFFFAOYSA-N	306.753	2.158	70	20	DEID	
Cc1cc(C(=O)N(C)Cc2cccn2C)ccc1-n1cncn1	160733791	MVEBYTBVGODJET-UHFFFAOYSA-N	309.373	2.186	70	20	DEID	
CCOc1ccc(C(=O)Nc2c[nH]c(=O)c(C)c2)cc1OC	159413195	LGFOKEGHXVRBNT-UHFFFAOYSA-N	302.330	2.343	70	20	DEID	
Cc1cnccc1NC(=O)c1cc(N2CCNC2=O)ccc1F	159388107	YYNJLVJVJGATGU-UHFFFAOYSA-N	314.320	2.311	70	20	DEID	
CC(C)(CO)CN[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1	160127493	WBYFQUDXXKVQOJ-OLZOCXBDSA-N	300.443	2.430	70	20	DEID	
O=C(/C=C/c1cncs1)Nc1cccc(S(=O)(=O)F)c1	460091007	IRSGCHNTYYNFHX-SNAWJCMRSA-N	312.347	2.453	70	20	DEID	
O=C(N[C@@H]1C[C@H]1c1ccco1)c1ccc(S(=O)(=O)F)cc1	864244526	ZNCPHGZIJBRGMX-VXGBXAGGSA-N	309.318	2.224	70	20	DEID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)NCCCC(F)F	1262805939	KJVWENIHJFGLCJ-UHFFFAOYSA-N	309.309	2.428	70	20	DEID	
CC[C@@](C)(NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(F)(F)F	1517619464	ORTPMQFYZMTOSH-SECBINFHSA-N	316.276	2.134	70	20	DEID	
O=S(=O)(F)c1ccc(N2CCC[C@H]2[C@@H]2CCCOC2)nc1	1550628268	KPZCTYWIIICSGC-YPMHNXCESA-N	314.382	2.135	70	20	DEID	
CCC[C@@H](C)[C@H](CC)NCc1ccc(C(=O)NCC(N)=O)cc1	161001530	YZJODEWTJZBZJU-CJNGLKHVSA-N	319.449	2.206	70	20	DEID	
Cc1ccccc1CN(C)C(=O)CSCCN1CCOCC1	160046703	NMUZTIQUQSDQPW-UHFFFAOYSA-N	322.474	2.019	70	20	DEID	
CC[C@H](C(=O)Nc1cccc(C(N)=O)n1)c1ccc(F)cc1	160241871	LSQIXVXTHAWRKY-LBPRGKRZSA-N	301.321	2.452	70	20	DEID	
CCOC(=O)c1cnc(N[C@@H]2CCO[C@@H](C3CC3)C2)nc1C	160273518	MNHKYHVAQZUBLE-TZMCWYRMSA-N	305.378	2.331	70	20	DEID	
COC[C@H](NC(=O)N[C@@H](CCCO)c1ccccc1)C1CC1	160296223	ORXJHKVNHDKOSL-HOTGVXAUSA-N	306.406	2.224	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)c1ccc(N(CC)C(C)C)nc1	160321434	BBYQMMVPZAECLW-CYBMUJFWSA-N	321.421	2.388	70	20	DEID	
CN(C(=O)c1ccc([S@@](C)=O)cc1)c1ccc2c(c1)OCO2	160496720	ZAMUUQUITBHDAR-QFIPXVFZSA-N	317.366	2.429	70	20	DEID	
CC(C)C[C@@H](CO)NC(=O)C(C)(C)NC(=O)Nc1ccccc1	160635916	GVASKPJNXGUARJ-AWEZNQCLSA-N	321.421	2.110	70	20	DEID	
O=C(CC[C@H]1CCOC1)Nc1ccc(S(=O)(=O)F)c(F)c1	857674140	CZMNSVDPVLOOTD-VIFPVBQESA-N	319.329	2.239	70	20	DEID	
CCS(=O)(=O)c1cccc(CC(=O)N2C[C@@H]3CCC[C@H]3C2)c1	161002955	AWAQIDVWKSBKER-GJZGRUSLSA-N	321.442	2.281	70	20	DEID	
CC[C@@H](CCO)CNC(=O)NC[C@@H]1CCCCN1CC(C)C	161016691	OEEOTNLGMRRGSC-HOTGVXAUSA-N	313.486	2.205	70	20	DEID	
O=C(c1ccnc(OC2CCC2)c1)N1CCOC[C@H]1C1CC1	161282404	BYMVPWHDAGQCEH-HNNXBMFYSA-N	302.374	2.264	70	20	DEID	
Cc1cccc(OC[C@@H](C)NC(=O)C2(O)CCSCC2)c1	161291993	KHEFISLKBPFZOI-CYBMUJFWSA-N	309.431	2.137	70	20	DEID	
O=C(NCCOCc1ccc(Cl)cc1)N1CCC[C@H](O)C1	160502927	XVQDNGNRSLEYJZ-AWEZNQCLSA-N	312.797	2.023	70	20	DEID	
C[C@@H](Cn1cc(Br)cn1)NC[C@H]1CCCC[C@@H]1O	160548362	FRFPZVSWGFASKR-LOWVWBTDSA-N	316.243	2.175	70	20	DEID	
Cc1ccccc1-n1cc(C(=O)N2C[C@@H]3CCC[C@H](C2)N3)cn1	160636084	DJLDFNVARLOIDJ-IYBDPMFKSA-N	310.401	2.147	70	20	DEID	
CCC(CC)(CNc1nc(C(C)C)nc(N(C)C)n1)C(=O)OC	160822474	XZKKYMJDRTVNAF-UHFFFAOYSA-N	323.441	2.452	70	20	DEID	
CNC(=O)C(C)(C)CNC(=O)[C@@H](C)Cc1cccc(Cl)c1	160826591	QFGDRQHRHWDLTP-NSHDSACASA-N	310.825	2.407	70	20	DEID	
C[C@@H]1Cc2cc(S(=O)(=O)N(C)[C@@H]3CCSC3)ccc2O1	159414715	JWCNINWHEGHOCG-ZYHUDNBSSA-N	313.444	2.136	70	20	DEID	
COc1ccccc1[C@H](C)N[C@H](C)C(=O)NCC(F)(F)F	159838893	DKHJWCOFCNNDRR-VHSXEESVSA-N	304.312	2.413	70	20	DEID	
Cc1nccc(NC(=O)N(C)C[C@H](O)C(F)(F)F)c1Cl	159678282	AETGYMZEFXQJBH-QMMMGPOBSA-N	311.691	2.430	70	20	DEID	
COCc1nc2n(n1)C[C@H](Nc1nc(C(C)(C)C)ns1)CC2	159950746	YQIAVLAOVRBMFQ-SECBINFHSA-N	322.438	2.000	70	20	DEID	
CCOCCC1(CNC(=O)CNC(=O)OC(C)(C)C)CCC1	159969417	WGKAPYFWWJLHKV-UHFFFAOYSA-N	314.426	2.224	70	20	DEID	
Cc1cc(NC(=O)[C@@H](C)CN(C)C(=O)OC(C)(C)C)c[nH]c1=O	159383476	VDQTWPXCBIQBNI-NSHDSACASA-N	323.393	2.125	70	20	DEID	
Cc1c(/C=C/C(=O)NCCO[C@@H]2CCCC[C@@H]2C)cnn1C	159384242	BKVFLUVSSFEMGZ-FTJFNGAWSA-N	305.422	2.453	70	20	DEID	
COC1(C(=O)Nc2ccc(S(=O)(=O)F)c(F)c2)CCCC1	857674383	IGBDZKABENTSMH-UHFFFAOYSA-N	319.329	2.382	70	20	DEID	
O=[N+]([O-])c1ccc(N2CCC[C@@H]3C[C@H]32)c(CS(=O)(=O)F)c1	882349961	CVUQVBCHFJZERB-NOZJJQNGSA-N	314.338	2.383	70	20	DEID	
CC(C)(C)CN(CCC#N)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1121031763	DRLRDLUTYLVHFA-UHFFFAOYSA-N	315.370	2.075	70	20	DEID	
CCN(CCSC)C(=O)c1ccc(S(=O)(=O)F)cc1C	1337473302	BYWQKWBHMXYXSR-UHFFFAOYSA-N	319.423	2.478	70	20	DEID	
O=S(=O)(F)c1ccc(N[C@H]2CC[C@H]3CC[C@H]2OC3)nc1	1551209252	WXFGHIXSJWSFNK-ZMLRMANQSA-N	300.355	2.109	70	20	DEID	
CCN(CC(=O)Nc1cc(F)ccc1F)Cc1cnn(C)c1	161078224	PMRMHYIGGKSQDM-UHFFFAOYSA-N	308.332	2.159	70	20	DEID	
Cc1cc(S(=O)(=O)N2CCC[C@@H]2C(C)(C)O)cc(C)c1F	161149467	KFAVSRHYCRZLJO-CYBMUJFWSA-N	315.410	2.367	70	20	DEID	
CN(CCCNC(=O)NO[C@@H]1CCCCO1)c1ccccc1	161277461	SXAPYDNYKKVJOT-OAHLLOKOSA-N	307.394	2.270	70	20	DEID	
O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)[C@@H]2CCCNC2)C1	161452258	CGCSLDPKYFIRKO-CABCVRRESA-N	318.392	2.247	70	20	DEID	
CC(C)n1cc([C@H](C)NCCN2CCC(N(C)C)CC2)cn1	160269930	ROUJHBVXJLGICQ-HNNXBMFYSA-N	307.486	2.141	70	20	DEID	
O=C(Nc1ccc(CCO)cc1)c1cnc(C(F)(F)F)nc1	160285994	DFUWQGZBABNHEW-UHFFFAOYSA-N	311.263	2.283	70	20	DEID	
O=C(NC[C@H]1CCCO1)Nc1ccc(O[C@H]2CCOC2)cc1	160383933	MQYMRYZLEHJOBP-CABCVRRESA-N	306.362	2.155	70	20	DEID	
COC(=O)[C@@H](C)CNC(=O)CSc1nccc2ccccc12	160463767	IHJLGZOFCZMDGV-NSHDSACASA-N	318.398	2.252	70	20	DEID	
CC(C)c1cc(C(=O)N2CCOC[C@H]2[C@H]2CCCCC2=O)n[nH]1	160476414	NLUATJGQLVBYRT-DOMZBBRYSA-N	319.405	2.133	70	20	DEID	
O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cccc(-c2ncn[nH]2)c1	160611262	NXWGSWAZCFIIHA-ZNMIVQPWSA-N	324.384	2.159	70	20	DEID	
CCO[C@@H]1C[C@@H](N(C)C(=O)NCCN(CC)CC)C12CCC2	160636705	SZZCGOCEKNZIGS-HUUCEWRRSA-N	311.470	2.317	70	20	DEID	
COc1ccc(C(=O)Cn2cnc(C(C)C)cc2=O)cc1OC	160792901	QEQRVYTYJRXPBH-UHFFFAOYSA-N	316.357	2.267	70	20	DEID	
C[C@H](CC(=O)NCCCOC1CCOCC1)c1ccncc1	160806886	PQTHPYXZLLNUNI-CQSZACIVSA-N	306.406	2.277	70	20	DEID	
CC[C@H](NS(=O)(=O)c1c[nH]cn1)c1ccc(F)cc1F	159604952	MYTZPNZJDKGRCO-NSHDSACASA-N	301.318	2.118	70	20	DEID	
Cc1[nH]nc2ncc(C(=O)N[C@H]3CCOC4(CCCC4)C3)cc12	159604968	CMOJKHVYFVUZIV-ZDUSSCGKSA-N	314.389	2.488	70	20	DEID	
C[C@@]1(c2ccccc2)CN(C(=O)[C@@H](N)Cc2ccccc2)CCO1	159646678	OAYWAIQPXGCHLL-ICSRJNTNSA-N	324.424	2.331	70	20	DEID	
O=C(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1cocn1	159855489	COODIXYHAKOIRJ-NSHDSACASA-N	323.711	2.002	70	20	DEID	
CCSCCN1CCN(C(=O)Cc2cccc(OC)c2)CC1	159675023	BQQZAOAXJTYSMG-UHFFFAOYSA-N	322.474	2.135	70	20	DEID	
O=C1CC[C@@H]2CN(C(=O)c3cc(Cl)c(Cl)[nH]3)CC[C@H]2N1	160568329	XAGBKJBDNDMCTN-VXNVDRBHSA-N	316.188	2.062	70	20	DEID	
O=C(c1ccc(Cl)cc1O)N1CCS[C@@H]2COCC[C@@H]21	161033382	BJZZOEQDHWYWHX-WCQYABFASA-N	313.806	2.392	70	20	DEID	
CCC1(C(=O)Nc2cccc(S(=O)(=O)F)c2)CCOCC1	460089142	FBRSRMARKGOJGU-UHFFFAOYSA-N	315.366	2.490	70	20	DEID	
O=C(CCc1ccc(S(=O)(=O)F)cc1)NC[C@@H]1C=CCC1	1338240896	FBTLIFYLEFTOCC-CYBMUJFWSA-N	311.378	2.360	70	20	DEID	
COCCOc1ccc(NC(=O)N[C@]2(C)CCOC2)c(C)c1	161370509	SNVFGIAFQLTUPK-MRXNPFEDSA-N	308.378	2.321	70	20	DEID	
CC(C)C[C@H]1COCCN1C(=O)NCCCC(=O)OC(C)C	160176517	AOAPCKUJULAABB-AWEZNQCLSA-N	314.426	2.175	70	20	DEID	
CC[C@@H](NC(=O)CCNC(=O)C(C)(C)C)c1c(C)noc1C	160396911	CJVOUBFMBAJQGM-GFCCVEGCSA-N	309.410	2.411	70	20	DEID	
COCc1nc(C)cc(N2CCC[C@@H]2CN2CCCCC2)n1	160440834	VHNBXHLYJBILFX-OAHLLOKOSA-N	304.438	2.386	70	20	DEID	
C[C@H](NCc1ccccc1CN1CCOCC1)C1CCOCC1	160505512	WCMMIJDUQQYCEX-INIZCTEOSA-N	318.461	2.424	70	20	DEID	
O=C(NCCCOCC1CC1)N[C@@H]1[C@H]2Cc3ccccc3[C@H]21	160810625	SHYOFVNBHULLGB-GVDBMIGSSA-N	300.402	2.441	70	20	DEID	
Cc1noc(C)c1[C@@H](C)CNC(=O)NOCc1cccnc1	160874880	RCQRUKXVBSMDQU-JTQLQIEISA-N	304.350	2.221	70	20	DEID	
Cc1c(/C=C/C(=O)NCCCCN2CCC(C)CC2)cnn1C	159406974	HVWQDZJNELOCEV-VOTSOKGWSA-N	318.465	2.370	70	20	DEID	
O=C(Nc1ccc(Br)cc1F)NC1(CO)CC1	159895656	XRDHDPQJCCPEQV-UHFFFAOYSA-N	303.131	2.235	70	20	DEID	
COC(=O)CCCC(=O)NC[C@@](C)(O)c1ccccc1Cl	159366069	JMOUBTRDJFAPOM-OAHLLOKOSA-N	313.781	2.007	70	20	DEID	
CCc1nc(CN(CCCO)Cc2cccc(Cl)c2)n[nH]1	159370501	LDTUPHKBDDZTMJ-UHFFFAOYSA-N	308.813	2.405	70	20	DEID	
COC(=O)[C@@H](CC(C)C)NC(=O)c1ccnc(Cl)c1F	161339213	LASNMVJQHPEPJP-SECBINFHSA-N	302.733	2.192	70	20	DEID	
COc1ccc(CCNC(=O)NCc2ccc(CO)cc2)cc1	217518837	SRGKOPWVAJBJAH-UHFFFAOYSA-N	314.385	2.229	70	20	DEID	
O=C(Cc1ccc(S(=O)(=O)F)cc1)N1CCCC(F)(F)C1	1121133654	VJGIRGKKXNBGCD-UHFFFAOYSA-N	321.320	2.145	70	20	DEID	
CCc1nc2c(s1)[C@@H](N(C)C(=O)C[C@H]1COC(=O)C1)CCC2	161240278	DLUOISUNZSJHQB-PWSUYJOCSA-N	322.430	2.495	70	20	DEID	
CCOCCC1(CNC(=O)NC[C@H](O)c2ccccc2)CC1	161461286	AOZYQYZKYDZYAU-HNNXBMFYSA-N	306.406	2.226	70	20	DEID	
Cc1cc(C(=O)NCCCN)c2ccc(Br)cc2n1	160112898	RWMVMWDQTRLYKS-UHFFFAOYSA-N	322.206	2.384	70	20	DEID	
COC[C@H](O)CCNC(=O)Nc1ccc(OC(C)C)cc1F	160646276	UAXXJGDLMZCVMV-LLVKDONJSA-N	314.357	2.132	70	20	DEID	
CNC[C@H](C)C(=O)NCc1ccc(OC)cc1OC1CCCC1	160900641	LFZRIVKFGYSLFV-ZDUSSCGKSA-N	320.433	2.488	70	20	DEID	
CCOCCN1CCN(c2cc(Cl)nc(C3CC3)n2)CC1	159404595	KNNDQHMBGXOIQH-UHFFFAOYSA-N	310.829	2.166	70	20	DEID	
CCN1CCCN(C(=O)NC[C@H](C2CCCCC2)N(C)C)CC1	159623469	NWXGXSGCUHRNCG-QGZVFWFLSA-N	324.513	2.234	70	20	DEID	
CC(C)N(C(=O)CSCCN1CCOCC1)c1ccccc1	159928697	JNHUHLUZWMCYFI-UHFFFAOYSA-N	322.474	2.493	70	20	DEID	
COCCOc1cccc(CC(=O)NCC2(O)CCCCC2)c1	159747198	HRAXAHWBAVDYFL-UHFFFAOYSA-N	321.417	2.066	70	20	DEID	
Cc1ccc(NC(=O)[C@@H]2O[C@@H](C)C[C@H]2C)cc1S(=O)(=O)F	857674002	OOFNUUFZIUABSU-GBIKHYSHSA-N	315.366	2.405	70	20	DEID	
Cc1ccc2c(c1)N(C(=O)c1cc(S(=O)(=O)F)c[nH]1)CC2	1519145810	FIVYFUXTOWYMQV-UHFFFAOYSA-N	308.334	2.184	70	20	DEID	
NCC[C@H]1CCN(C(=O)Cc2ccccc2Br)C1	217268438	RHBYNCKPODYFPZ-NSHDSACASA-N	311.223	2.189	70	20	DEID	
C[C@H](O)C[C@@H]1CCCCCN1c1ccc(S(=O)(=O)F)cn1	1550621749	CGAAICXQRKWEHX-RYUDHWBXSA-N	316.398	2.260	70	20	DEID	
CC/C=C(/C)C(=O)N[C@@H]1CCN(c2ccccc2OC)C1=O	161311344	KGPAEWDYHPFLGI-FFXRNRBCSA-N	302.374	2.273	70	20	DEID	
CN(C)c1ccc(C(=O)N[C@@H]2CCC[C@H](N(C)C)C2)c(F)c1	161496811	MXUYRRGNXNNAQW-OLZOCXBDSA-N	307.413	2.494	70	20	DEID	
CC(=O)N1CCC(C(=O)Nc2cccc(OCCF)c2)CC1	160631034	KLEBLVMAVOLHDV-UHFFFAOYSA-N	308.353	2.232	70	20	DEID	
CCc1cccc(NC(=O)NCC2CCS(=O)(=O)CC2)c1	159459103	CFLCZMILLYMUEI-UHFFFAOYSA-N	310.419	2.195	70	20	DEID	
COc1ccc(C(C)(C)C(=O)NCCC(=O)OC(C)C)cc1	159517485	JKWUCOBGIIZTGJ-UHFFFAOYSA-N	307.390	2.431	70	20	DEID	
CC(=O)N1CC[C@H](NC(=O)C2(c3ccccc3)CCCC2)C1	159769609	CKUFSGGNEGNVDO-INIZCTEOSA-N	300.402	2.235	70	20	DEID	
O=C(N[C@H]1CCC[C@@H]2OCC[C@H]12)c1ccc(N2CCCC2)nc1	159779124	DLJURLLYVPKGNK-PMPSAXMXSA-N	315.417	2.369	70	20	DEID	
CCOc1ccccc1N(C)CC(=O)NC(=O)NC(C)(C)C	159393161	OVIPNLISXIBZAS-UHFFFAOYSA-N	307.394	2.146	70	20	DEID	
Cc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(F)cc2F)cn1	159799392	HZAIJNUHCHNKFC-JTQLQIEISA-N	319.311	2.484	70	20	DEID	
COCC1(COC(=O)c2ccc(S(=O)(=O)F)cc2)CCC1	838094800	YYFQHYWNVNMOKS-UHFFFAOYSA-N	316.350	2.318	70	20	DEID	
C[C@H](NCCCc1nnc2n1CCCCC2)c1cnn(C)c1	161154793	UMSHUONJKNOAQV-ZDUSSCGKSA-N	302.426	2.021	70	20	DEID	
Cc1ccc(-c2nnc(NC(=O)[C@H]3CC34CCOCC4)[nH]2)o1	160172058	UALYPHMEUSABOT-SNVBAGLBSA-N	302.334	2.128	70	20	DEID	
Cc1nc(CC(=O)NC[C@H](O)c2ccccc2C)c(C)s1	160461288	BWGLBZYMXPUDRW-HNNXBMFYSA-N	304.415	2.461	70	20	DEID	
Cc1cnccc1CCNC(=O)NC[C@H]1CCCN(C(C)C)C1	160825039	UVPNVQKHKISZKL-MRXNPFEDSA-N	318.465	2.352	70	20	DEID	
COc1cccc(-c2noc(-c3c(C)c(C)nn(C)c3=O)n2)c1	160881587	PCKIMCYBIHIMTE-UHFFFAOYSA-N	312.329	2.123	70	20	DEID	
C[C@@H](CC(=O)c1cccs1)NC(=O)c1n[nH]c2c1CCC2	160933983	QJCHGHHJSASOOA-VIFPVBQESA-N	303.387	2.351	70	20	DEID	
CCc1nc2c(s1)[C@H](N(C)C(=O)[C@H](C)NC(C)=O)CCC2	160992920	RQXKELKWTWEONZ-JOYOIKCWSA-N	309.435	2.066	70	20	DEID	
Cc1cc(N[C@H](C)C(=O)NC[C@@H](C)c2ccccc2)nn1C	159646648	NXYHLRNZOMGFIV-TZMCWYRMSA-N	300.406	2.449	70	20	DEID	
CC(C)C1(CNC(=O)Nc2ccnn2C[C@H]2CCOC2)CC1	159906040	CVGDQAMGPHITJV-CYBMUJFWSA-N	306.410	2.477	70	20	DEID	
CC(C)C[C@@H](CCO)CNC(=O)NCC(C)(C)[C@@H](O)C(C)C	159377381	ZFWSHEAACSJFCJ-CABCVRRESA-N	316.486	2.373	70	20	DEID	
CC(C)(C)OC(=O)c1ccc(CN2CCn3cnnc3C2)cc1	159970641	XFSXWRNGJYXKHX-UHFFFAOYSA-N	314.389	2.249	70	20	DEID	
O=S(=O)(Cl)Cc1cc(Br)c2c(c1)OCO2	258878637	VCEFDAVVXKXXNL-UHFFFAOYSA-N	313.556	2.246	70	20	DEID	
COCCC[C@H](C)C(=O)Nc1ccc(S(=O)(=O)F)cc1	123031198	RHFNCDSKQBHAMH-JTQLQIEISA-N	303.355	2.346	70	20	DEID	
O=C(N[C@@H]1CCCC[C@H]1F)c1ccc(S(=O)(=O)F)cc1	864244322	RWKGUBBULZNFGV-VXGBXAGGSA-N	303.330	2.355	70	20	DEID	
N#C[C@H](NC(=O)c1cccc(S(=O)(=O)F)c1)C1CCCC1	1121095869	WRSJQSLNVAELFC-ZDUSSCGKSA-N	310.350	2.157	70	20	DEID	
CS[C@@H]1CC[C@H](N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1123621381	XKPQZECMEDCBCW-DTWKUNHWSA-N	320.411	2.029	70	20	DEID	
O=C(Cc1ccc(S(=O)(=O)F)cc1)N[C@H]1CCC[C@@H]2C[C@H]12	1338948583	UUNDGAKWJNCDJE-XBFCOCLRSA-N	311.378	2.192	70	20	DEID	
COc1cccc(CCNC(=O)NOCc2cccnc2)c1	161057710	YIBNPCVHSPBEAA-UHFFFAOYSA-N	301.346	2.064	70	20	DEID	
CC[C@@H]1CCCC[C@@H]1N(C)C(=O)CCSc1nnnn1C	161215300	FQZMIMIYILUSOB-NEPJUHHUSA-N	311.455	2.120	70	20	DEID	
O=c1c2ccoc2ccn1C[C@@H](O)COCc1cccs1	161410679	XXWYIFYNCZYHPX-LLVKDONJSA-N	305.355	2.234	70	20	DEID	
O=C(c1ccc(-c2nc3ccccc3s2)o1)N1CC(O)C1	161447762	CZRMUXWOLOVJGC-UHFFFAOYSA-N	300.339	2.373	70	20	DEID	
Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C(=O)NCCCN	160071763	JDRCDIDBQDCKBN-CMDGGOBGSA-N	318.808	2.312	70	20	DEID	
Cc1conc1NC(=O)C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1	160120940	QQQXYYHTJVMDBW-BDAKNGLRSA-N	319.283	2.159	70	20	DEID	
COc1ccc(S(=O)(=O)N[C@@H](C)c2cccc(O)c2)cc1	160136333	WTPZQMWHNAWSGZ-NSHDSACASA-N	307.371	2.440	70	20	DEID	
CC(C)NC(=O)CCCC(=O)N[C@H]1CCOC2(CCCC2)C1	160240120	SKUWUTPQFRXRJN-AWEZNQCLSA-N	310.438	2.289	70	20	DEID	
CC(C)OCCCCNC(=O)c1cnc(C(F)(F)F)nc1	160281424	GEHOSCDTAOYSEA-UHFFFAOYSA-N	305.300	2.430	70	20	DEID	
CC(C)(C)C[C@@H](CO)NC(=O)Nc1ccn(CC(F)(F)F)n1	160312604	UFHMVLVCALXKNT-VIFPVBQESA-N	322.331	2.364	70	20	DEID	
O=C(Nc1cccc(-n2ccnc2)c1)[C@@H]1CCn2ccnc2C1	160346902	WCASDGWQPXVSCF-CYBMUJFWSA-N	307.357	2.270	70	20	DEID	
O=C1CC[C@@H]2CN(C(=O)Cc3cccc(Cl)c3)CC[C@H]2N1	160586864	HYKZDWYLFQCKLC-TZMCWYRMSA-N	306.793	2.010	70	20	DEID	
CC[C@H]1COCCN1C(=O)NCCOCc1cccc(OC)c1	160603184	DCEUHGCJERQGPU-HNNXBMFYSA-N	322.405	2.032	70	20	DEID	
CCn1c(S[C@H](C)C(=O)OC)nc2ccc(F)cc2c1=O	159425151	SSTHSUUJNHYLEP-MRVPVSSYSA-N	310.350	2.209	70	20	DEID	
O=C(COC[C@@H]1CCCO1)NCCc1cc2ccccc2[nH]1	159659876	PXDHGMKQEZHDFK-HNNXBMFYSA-N	302.374	2.022	70	20	DEID	
C[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC[C@@H]1O	159376017	JWVMLSCNJKGPSH-CABZTGNLSA-N	323.336	2.097	70	20	DEID	
Cc1cccc(OCCC(=O)NC[C@H](O)COCC(C)C)c1C	159384530	DJDRZCGKTZDXQO-INIZCTEOSA-N	323.433	2.222	70	20	DEID	
COc1cc(C(=O)N2CCNCC2)ccc1OC1CCCC1	159385754	UECLWVMDCJPRJA-UHFFFAOYSA-N	304.390	2.062	70	20	DEID	
O=[N+]([O-])c1cc(CS(=O)(=O)Cl)ccc1Br	106470128	UXJYFJGFZFNJOQ-UHFFFAOYSA-N	314.544	2.426	70	20	DEID	
C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2CS(=O)(=O)F)C1	881895746	ZPEDMDKFSCGFLL-VIFPVBQESA-N	302.327	2.240	70	20	DEID	
CC[C@H](NC(=O)c1cccc(-c2ncn[nH]2)c1)[C@@H]1CCCO1	161427284	OXRONQISDUBQPF-KBPBESRZSA-N	300.362	2.159	70	20	DEID	
CC(C)OC(=O)CCCNC(=O)N(C)CCc1nccs1	160211565	KZFWQLPXMWVOJG-UHFFFAOYSA-N	313.423	2.059	70	20	DEID	
CCOC(=O)C1CCN(C(=O)CN(C)CCC2CCCC2)CC1	160234860	ZHFCBEWZKQJGIO-UHFFFAOYSA-N	324.465	2.300	70	20	DEID	
CN(C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)[C@@H]1CCS(=O)(=O)C1	160318092	HKNSZDMBRLHJLK-GBJTYRQASA-N	313.463	2.238	70	20	DEID	
C[C@H]1CC(NC(=O)Nc2ccc3c(c2)oc(=O)n3C)C[C@H](C)O1	160541054	LWNKYADIADTWFD-UWVGGRQHSA-N	319.361	2.209	70	20	DEID	
CC(=O)N[C@H](C(=O)N[C@@H]1CCOC2(CCCCC2)C1)C(C)C	160579017	FTMADGOOIWAEMR-CABCVRRESA-N	310.438	2.145	70	20	DEID	
CC(C)(CNC(=O)N[C@H]1CCCc2cc(F)ccc21)C(N)=O	160597309	ZKWUWVVWKDHTEB-ZDUSSCGKSA-N	307.369	2.014	70	20	DEID	
O=C(NCCc1ccco1)Nc1ccn(CC(F)(F)F)n1	160656617	HDYFUCZZILPOCL-UHFFFAOYSA-N	302.256	2.403	70	20	DEID	
CCCC1(CNC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)CC1	160768521	XIIPEFBTSXOLTB-UHFFFAOYSA-N	300.358	2.223	70	20	DEID	
CCN(C[C@H]1CCCO1)C(=O)c1ccc(C(=O)NC2CC2)cc1	160910555	GBNOUEXEDNTHIE-MRXNPFEDSA-N	316.401	2.220	70	20	DEID	
COc1cc(C)ccc1CNC(=O)N(CCN(C)C)C(C)C	159605172	RYTOCUKBBIXUKJ-UHFFFAOYSA-N	307.438	2.485	70	20	DEID	
C[C@H]1CSc2ccccc2N(C(=O)CN2CCCC2=O)C1	159668761	VFNBRMVPFSWPCO-GFCCVEGCSA-N	304.415	2.384	70	20	DEID	
CC(C)c1ccc(C(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)cn1	159864796	DNARQBSXARRHQP-CYBMUJFWSA-N	303.406	2.334	70	20	DEID	
CC[C@@H](c1ccncc1)N(C)S(=O)(=O)c1c(C)nn(C)c1C	159737888	RPOSLYIMLBGFNF-AWEZNQCLSA-N	322.434	2.204	70	20	DEID	
Cc1csc(=O)n1CCC(=O)N[C@H]1CCOC2(CCCC2)C1	159939939	HAGYXKNJKUMOHY-ZDUSSCGKSA-N	324.446	2.216	70	20	DEID	
CC(C)CN(CC(N)=O)C(=O)c1csc2c1CC[C@@H](C)C2	159743154	RVYXUKJRSFFEHS-LLVKDONJSA-N	308.447	2.456	70	20	DEID	
COc1ccc(OC)c(NC(=O)C(=O)N2CCC3(CCC3)C2)c1	159364263	LCFZDDYSYGKJAN-UHFFFAOYSA-N	318.373	2.045	70	20	DEID	
CO[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(Cl)c(F)c1	159966395	JQVARABZXOOZJD-VXGBXAGGSA-N	314.744	2.101	70	20	DEID	
Cc1cccc([C@@H](NC(=O)CCc2nnc[nH]2)c2ccccn2)c1	159799161	NJVXHDPCGXNFAB-GOSISDBHSA-N	321.384	2.347	70	20	DEID	
O=C(OC[C@H]1CCCCO1)c1cccc(S(=O)(=O)F)c1	1332330585	QIKOQJKOWRXTHY-LLVKDONJSA-N	302.323	2.071	70	20	DEID	
CC[C@@H]1c2ccccc2CCN1C(=O)C(=O)Nc1nocc1C	161201269	RTEHGLWPIKSYMD-CQSZACIVSA-N	313.357	2.458	70	20	DEID	
COC[C@H](O)CCNC(=O)c1ccsc1-n1c(C)ccc1C	161328119	ZLQNWTBUZIPETJ-CYBMUJFWSA-N	322.430	2.283	70	20	DEID	
C[C@H]1C[C@H](NCc2ccccc2N2CCOCC2)[C@H](C)CN1C	161461670	MJYRRKQAOGLEDN-RYRKJORJSA-N	317.477	2.342	70	20	DEID	
c1ccc(-n2nnnc2Cn2nc(C3CC3)nc2C2CC2)cc1	161498703	IHMFCMSUUOTTRI-UHFFFAOYSA-N	307.361	2.057	70	20	DEID	
O=C1CC[C@@H]2CN(C(=O)c3ccc(Cl)cc3F)CC[C@@H]2N1	160639501	PRMDGZKTGKEWKR-RNCFNFMXSA-N	310.756	2.220	70	20	DEID	
CNC(=O)C(C)(C)CNC(=O)[C@H](C)Cc1ccc(Cl)cc1	160826454	YMTZQUFHBRSUDE-LLVKDONJSA-N	310.825	2.407	70	20	DEID	
O=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)[C@@H]1CCCNC1	160968385	FWXAJXPDKWOVGN-NOZJJQNGSA-N	317.216	2.143	70	20	DEID	
CCCn1c(C)nnc1CNC1(c2noc(C)n2)CCCC1	159817368	HBVJNLAIBIQOEM-UHFFFAOYSA-N	304.398	2.247	70	20	DEID	
Cc1csc([C@@H](C)CNC(=O)NOCc2cccnc2)n1	159629602	NYGQNDZSWDCZNO-JTQLQIEISA-N	306.391	2.381	70	20	DEID	
CCn1cc(S(=O)(=O)N[C@@H](C)Cc2ccc(C)s2)cn1	159645531	KGYCDHWIYOGRFY-JTQLQIEISA-N	313.448	2.182	70	20	DEID	
CC[C@]1(C)C[C@@H]1C(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1	159843705	QEOIOQOITUWKRF-IUODEOHRSA-N	310.419	2.278	70	20	DEID	
COc1ccc(N(C)C(=O)CCOC2CCOCC2)cc1F	159724946	YJWDGKFWHODEBO-UHFFFAOYSA-N	311.353	2.383	70	20	DEID	
O=C(N[C@H]1CCC[C@@H]2OCC[C@H]12)c1cc2ccccc2c(=O)[nH]1	159755836	DWRDKRRDONABRH-YCPHGPKFSA-N	312.369	2.216	70	20	DEID	
CCN(CCCNCc1ccc(Cl)cc1F)S(C)(=O)=O	160785513	PTVCDVRDIAGSNH-UHFFFAOYSA-N	322.833	2.240	70	20	DEID	
COc1ccc(C)cc1NC(=O)N[C@H]1CC(=O)N(C(C)C)C1	217288277	DPGMCVNCQJKIGZ-LBPRGKRZSA-N	305.378	2.134	70	20	DEID	
C=CCCO[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	857675008	YCWPNBNUTNIGEJ-VIFPVBQESA-N	319.329	2.404	70	20	DEID	
Cc1c(Cl)cncc1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1338066963	FWZZZUPXRZOZCS-UHFFFAOYSA-N	317.729	2.282	70	20	DEID	
CCn1ccnc1CNC[C@@H]1CCCN1C(=O)OC(C)(C)C	217802685	SRFVTDOBQKMNCZ-ZDUSSCGKSA-N	308.426	2.392	70	20	DEID	
CCCCc1noc(Cn2ccc(C(=O)OC(C)C)cc2=O)n1	161014100	ZSIBALGNZZQDMC-UHFFFAOYSA-N	319.361	2.187	70	20	DEID	
CCC(CC)(CO)NC(=O)Nc1cc(C(=O)OC)cs1	161086779	DMBRXFIGDBJGAC-UHFFFAOYSA-N	300.380	2.207	70	20	DEID	
C[C@@H](NCCCc1nnc2n1CCCCC2)c1cnn(C)c1	161154884	UMSHUONJKNOAQV-CYBMUJFWSA-N	302.426	2.021	70	20	DEID	
C[C@]1(NC(=O)Nc2ccc(CN3CCCC3=O)cc2)CCOC1	161201037	JDDCQXKQVYNKOP-KRWDZBQOSA-N	317.389	2.110	70	20	DEID	
COCc1nc2n(n1)C[C@H](Nc1ccnc3ccccc13)CC2	161341312	AAXUAPDLANWLED-GFCCVEGCSA-N	309.373	2.400	70	20	DEID	
C[C@@H](CC(=O)NCc1nncn1-c1ccccc1)c1ccncc1	160053291	SVKLTIYNFZNDQU-AWEZNQCLSA-N	321.384	2.472	70	20	DEID	
CN(C(=O)Cc1ccc(F)cc1Cl)[C@@H]1CCCCNC1=O	160064261	HDKKVSLUCMBUOT-CYBMUJFWSA-N	312.772	2.149	70	20	DEID	
C[C@]1(NC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)CCOC1	160306662	XQNIZCYAXDPNSN-KRWDZBQOSA-N	317.389	2.223	70	20	DEID	
CCc1ccc(CC(=O)N2CCC[C@H](c3nncn3C)C2)cc1	160328355	UQKQJIYSJYFWLR-INIZCTEOSA-N	312.417	2.326	70	20	DEID	
COc1ccc(S(C)(=O)=O)cc1C(=O)N1CCCCCC1	160449826	FKVOGEYDOXHEMF-UHFFFAOYSA-N	311.403	2.115	70	20	DEID	
COCCN(CC(C)C)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2	160938106	LKANXMPFCUJSBO-KFWWJZLASA-N	310.438	2.258	70	20	DEID	
Cc1cc(NC(=O)Cc2cccc(OC(F)F)c2)c[nH]c1=O	159656829	YGBHPOBJEBNJOI-UHFFFAOYSA-N	308.284	2.466	70	20	DEID	
CCCCCNC(=O)CSc1nnc(-c2ccccn2)n1C	159515573	RFHIGLLRISKPHB-UHFFFAOYSA-N	319.434	2.276	70	20	DEID	
C[C@@H]1CC(=O)CC[C@H]1C(=O)N(C)CC(=O)Nc1ccccc1	159921207	ZGQMNTAPOSABTB-IUODEOHRSA-N	302.374	2.089	70	20	DEID	
O=C(NCCOC1CCCC1)Nc1ccnn1C[C@@H]1CCOC1	159399127	LZVMNAZJCKRAES-ZDUSSCGKSA-N	322.409	2.000	70	20	DEID	
CC1(C)CCCC[C@@H]1NC(=O)N1CCC[C@@H]1C(=O)NC1CC1	159788014	WNGDUHBOAQMVAT-KGLIPLIRSA-N	307.438	2.408	70	20	DEID	
O=S(=O)(F)c1ccc(N[C@H](C2CCC2)[C@H]2CCOC2)nc1	1550638703	FOSPASWPOPLUJB-SMDDNHRTSA-N	314.382	2.357	70	20	DEID	
CC(C)CN1CCC(NC(=O)NCc2ccccc2CO)CC1	161123542	APKOERLXZCZRBX-UHFFFAOYSA-N	319.449	2.099	70	20	DEID	
C[C@@H](NC(=O)C(=O)Nc1ccccc1Cl)C1CCOCC1	161151068	XRHFDOYYKQGFQA-SNVBAGLBSA-N	310.781	2.210	70	20	DEID	
C[C@@H]1CC[C@@H](C)N1C(=O)c1cc(N2CCNC2=O)ccc1F	161508509	MNSSLQGOYPBXPY-GHMZBOCLSA-N	305.353	2.368	70	20	DEID	
Cc1[nH]ncc1CCCNC(=O)[C@@H]1COc2ccc(F)cc2C1	160186395	ZMGGRXIGMVWJMZ-AWEZNQCLSA-N	317.364	2.157	70	20	DEID	
COc1ccc(NC(=O)N(C)CCCn2ccnc2C)c(C)n1	160301385	WQYWQMZMNZFLKU-UHFFFAOYSA-N	317.393	2.458	70	20	DEID	
CC(C)(C)c1nsc(N2CCOCC3(CCOCC3)C2)n1	160323089	HZHIGKUVEOOXOR-UHFFFAOYSA-N	311.451	2.469	70	20	DEID	
CC(C)(C)c1ccc([C@H](O)CNC(=O)C[C@@H]2COC(=O)C2)cc1	160474960	SRBAVOVMSPXBDK-SWLSCSKDSA-N	319.401	2.087	70	20	DEID	
Cc1n[nH]c(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)c1C	160491339	ASZUQNCLJUKCNF-MRVPVSSYSA-N	307.375	2.151	70	20	DEID	
Cc1cc(C(=O)N(C)[C@H](C)CO)c(C)n1Cc1ccccn1	160545853	OWNLMKKJTLWQGN-CYBMUJFWSA-N	301.390	2.001	70	20	DEID	
CCCC1(CNC(=O)[C@H](C)NS(=O)(=O)c2ccccc2)CC1	160637096	QVCHHRIOODEKFF-ZDUSSCGKSA-N	324.446	2.050	70	20	DEID	
COCCCCS(=O)(=O)[C@@H](C)c1cn(-c2ccccc2)nn1	159439247	HFQCKJBFZJCGCI-ZDUSSCGKSA-N	323.418	2.170	70	20	DEID	
COc1cccc(OCCCNS(=O)(=O)CCC(C)C)c1	159579009	BTKNLWVMWOKKAU-UHFFFAOYSA-N	315.435	2.430	70	20	DEID	
C[C@@H](CCn1cccn1)Nc1ccccc1SCC(N)=O	159396659	OIYSDCVSFFTKIR-LBPRGKRZSA-N	304.419	2.351	70	20	DEID	
Cc1ccc(S(=O)(=O)N(C)[C@H](CN)C2CC2)c(Cl)c1	159974348	BRNCQQVTZTYEMD-GFCCVEGCSA-N	302.827	2.006	70	20	DEID	
C[C@H](NC(=O)CN1CCC[C@@H](CN)C1)c1ccccc1Cl	217549650	NNVVJOCDKWERNY-STQMWFEESA-N	309.841	2.188	70	20	DEID	
CSC[C@](C)(O)CNC(=O)Cc1ccc(C(F)(F)F)cc1	217674884	TVJQCMSCZAQTPU-CYBMUJFWSA-N	321.364	2.478	70	20	DEID	
Cc1nscc1C(=O)Nc1cccc(S(=O)(=O)F)c1	460088322	CIBXCIRKXUKUAN-UHFFFAOYSA-N	300.336	2.362	70	20	DEID	
CO[C@H](CNC(=O)c1ccc(S(=O)(=O)F)cc1C)C(C)C	1337270877	PHWLJKVWWDGWEY-CYBMUJFWSA-N	317.382	2.054	70	20	DEID	
O=C(CCc1ccc(S(=O)(=O)F)cc1)NC1(C2CC2)CC1	1338011869	IKVGIIGNQAPBST-UHFFFAOYSA-N	311.378	2.336	70	20	DEID	
CCCc1csc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)n1	1516701004	DHUJGLZLGPPJPB-UHFFFAOYSA-N	317.367	2.334	70	20	DEID	
CCS(=O)(=O)c1cccc(CC(=O)N2C[C@H]3CCC[C@H]3C2)c1	161002727	AWAQIDVWKSBKER-GASCZTMLSA-N	321.442	2.281	70	20	DEID	
CC(C)n1nccc1C(=O)NCCN(C)C(=O)OC(C)(C)C	161040125	KVJCPZACCYYRCJ-UHFFFAOYSA-N	310.398	2.061	70	20	DEID	
C[C@H]1CCCC[C@@H]1OCCNC(=O)NOCc1cccnc1	161083672	BZHVTDSCNQWUDV-ZFWWWQNUSA-N	307.394	2.408	70	20	DEID	
COCCOc1cccc(CC(=O)N(C)Cc2ccncc2)c1	161189403	RZPROQRJTUHWFS-UHFFFAOYSA-N	314.385	2.308	70	20	DEID	
Cc1ccc(NC(=O)C(=O)NCCO[C@H]2CCCC[C@@H]2C)cn1	160097135	BTIRLRULMDOJBT-WFASDCNBSA-N	319.405	2.040	70	20	DEID	
C[C@H](C[C@H](O)c1ccccc1)NC(=O)c1cc(N(C)C)ccn1	160695852	XQCDXYVCAUUROY-DYVFJYSZSA-N	313.401	2.390	70	20	DEID	
O=C(Nc1cccc(F)n1)[C@H]1CCCCN1C(=O)c1ccco1	160751126	ZJDNVTFFJBEDKQ-LLVKDONJSA-N	317.320	2.447	70	20	DEID	
Cn1cnc2cc(C(=O)N[C@H](CCCO)c3ccccc3)cnc21	160857754	LXYDNSSWWOQJJV-OAHLLOKOSA-N	324.384	2.212	70	20	DEID	
CCCCOc1ncccc1CNC(=O)N1CCC[C@@](C)(O)C1	160981420	NZODZJDIYNRADH-QGZVFWFLSA-N	321.421	2.317	70	20	DEID	
C[C@@H](O)C[C@@H](CNC(=O)CC1CCOCC1)c1ccccc1	159431497	KHNQBKMDZNHIMT-PBHICJAKSA-N	305.418	2.474	70	20	DEID	
CC(C)CNC(=O)[C@H](C)Sc1nnc(-c2ccccn2)n1C	159587433	ZZNDXEDDSJRAPC-NSHDSACASA-N	319.434	2.130	70	20	DEID	
CCCCOCCCNc1ccc(S(=O)(=O)NC)cc1	160363658	XMWAWBHUNWSZOA-UHFFFAOYSA-N	300.424	2.213	70	20	DEID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N[C@@H]1CS[C@H](C)C1	1338197367	BVURWVWLYBDRIJ-ZJUUUORDSA-N	317.407	2.277	70	20	DEID	
CC(C)[C@H]1N(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC12CCC2	1351947080	UVGKCIKBPMYUEU-GFCCVEGCSA-N	314.382	2.324	70	20	DEID	
CCc1cc(O)nc(CN2CCN(C)C[C@@H]2c2ccccc2)n1	161329568	DAQGRGQPDKFJDY-MRXNPFEDSA-N	312.417	2.233	70	20	DEID	
COCc1nc2n(n1)C[C@H](Nc1nc3cc(F)ccc3o1)CC2	161354427	RJTNENWHSPLIRE-SNVBAGLBSA-N	317.324	2.132	70	20	DEID	
COC(=O)NCCCC(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C	161451863	OCCHQUOYYNHPDZ-UHFFFAOYSA-N	320.349	2.361	70	20	DEID	
CCC[C@](C)(CO)NC(=O)Nc1cc(C(=O)OC)cs1	160631413	WVTOGYACEUWUEL-CYBMUJFWSA-N	300.380	2.207	70	20	DEID	
COc1ccc(NS(=O)(=O)Cc2ccc(F)cc2)c(C)n1	160666054	UBWROWBWUOXENU-UHFFFAOYSA-N	310.350	2.480	70	20	DEID	
C[C@H](O)CN(C)CC(=O)Nc1nc(-c2ccccc2)cs1	159406363	IGAHSYIMNQMAGV-NSHDSACASA-N	305.403	2.061	70	20	DEID	
c1ncn(-c2ccc(CN[C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)cc2)n1	159641779	OYXJAZYSTSBYJP-BBWFWOEESA-N	310.401	2.315	70	20	DEID	
CCCN(CC)CCNC(=O)NC[C@@H](C)c1c(C)noc1C	159959697	AKDLMHNIUFLTCY-GFCCVEGCSA-N	310.442	2.426	70	20	DEID	
CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NC[C@@H](C)CCO	161075150	MZLRWJSKEJLFNB-SUMWQHHRSA-N	316.401	2.085	70	20	DEID	
CCCCN1CCc2ccc(NC(=O)C(=O)NCC3CC3)cc21	161223338	IQCYWTKZNMHRGO-UHFFFAOYSA-N	315.417	2.314	70	20	DEID	
CCCCOCC(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1	161359126	ZUZIKVUKEPPTFL-ZDUSSCGKSA-N	314.426	2.319	70	20	DEID	
COC(=O)c1nccc2c(S(=O)(=O)N(C)C(C)C)cccc12	160007500	OCESWJBMHLCPRK-UHFFFAOYSA-N	322.386	2.050	70	20	DEID	
O=C(Nc1ccc(O[C@H]2CCOC2)cc1)N1CCC[C@@H](CO)C1	160122400	HXEFRIFYKXENKG-CJNGLKHVSA-N	320.389	2.091	70	20	DEID	
C[C@H](CN1CCCCC1)NC(=O)c1cccc(-c2ncn[nH]2)c1	160265991	FFYMIGWXNXPHEX-CYBMUJFWSA-N	313.405	2.076	70	20	DEID	
COC(=O)c1csc(NC(=O)C(=O)N[C@H]2CCC[C@H](C)C2)c1	160353688	QJLIYMSUXAWVOH-ONGXEEELSA-N	324.402	2.168	70	20	DEID	
Cc1conc1NC(=O)C(=O)N1CCC[C@@H]1Cc1ccccc1	160362641	HGQDEICHKCIXIG-CQSZACIVSA-N	313.357	2.155	70	20	DEID	
CC(C)[C@H]1C(=O)NCCN1Cc1ncc(-c2ccccc2F)o1	160449830	ROUKVFCKYKTYIE-INIZCTEOSA-N	317.364	2.437	70	20	DEID	
CN(C)CCC1CCN(C(=O)N[C@H]2CCO[C@H](C3CC3)C2)CC1	160543671	HRIXHTISQOQIPZ-IRXDYDNUSA-N	323.481	2.317	70	20	DEID	
Cc1ncsc1C(=O)N1CCOC[C@H]1[C@H]1CCCCC1=O	160587802	IIFFIUJKXYXHNK-NEPJUHHUSA-N	308.403	2.052	70	20	DEID	
CC(=O)N1CCCc2cc(NC(=O)Nc3cnn(C)c3)ccc21	160814250	RBGQOGZZFSJWIF-UHFFFAOYSA-N	313.361	2.363	70	20	DEID	
C[C@H](CCO)CNC(=O)/C=C/c1cc(Cl)c2c(c1)OCO2	160982753	GYBOLILKFHZCIX-VMZHVLLKSA-N	311.765	2.217	70	20	DEID	
CCOc1ccccc1NC(=O)NCCCNC(=O)C(C)C	159457850	SYQNDJXVNQFBQP-UHFFFAOYSA-N	307.394	2.369	70	20	DEID	
O=C(CNc1cccc(F)c1)N[C@H]1c2ccccc2C[C@@H]1O	159852657	XFSPCEBFSHGHFB-RDJZCZTQSA-N	300.333	2.012	70	20	DEID	
CN(C)[C@@H](CNC(=O)c1cnc2c(c1)ncn2C)c1ccccc1	159674763	BNMGNSUJOBMFEY-INIZCTEOSA-N	323.400	2.001	70	20	DEID	
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CCCn2cccc2)C1	159490939	HPJGUHZJAFRXFA-AWEZNQCLSA-N	321.421	2.394	70	20	DEID	
O=C(CC1CCCC1)NCC(=O)Nc1ccc2[nH]ncc2c1	159547820	RTWBWSHYDKOBJA-UHFFFAOYSA-N	300.362	2.198	70	20	DEID	
Cc1cc(C)c(C(=O)N(C)CC(C)(C)CN2CCOCC2)[nH]1	159751227	WTYSLORKOFRRMA-UHFFFAOYSA-N	307.438	2.062	70	20	DEID	
CSCC[C@@H](N)C(=O)NCCc1c[nH]c2c(C)cccc12	159560852	SJAXTJMEPJRLMH-CQSZACIVSA-N	305.447	2.215	70	20	DEID	
C[C@@H](CO)CNC(=O)c1c[nH]c2cccc(Br)c12	159575236	VNROGIVZMLXGRD-MRVPVSSYSA-N	311.179	2.289	70	20	DEID	
COC[C@H](C)[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	857673146	SKPCRNDHZBGYFL-DTWKUNHWSA-N	321.345	2.341	70	20	DEID	
N[C@@H]1CCC[C@H](NC(=O)c2ccn(-c3ccc(F)cc3)n2)C1	161080989	LGMSLMDCAGHBEC-OLZOCXBDSA-N	302.353	2.011	70	20	DEID	
CC(C)CCn1ccc(NC(=O)N[C@@H]2CCCC[C@H]2C(N)=O)n1	161193664	CGRAIOHRVIADQV-CHWSQXEVSA-N	321.425	2.095	70	20	DEID	
CC(C)c1nn(C)c(Cl)c1C(=O)NC[C@H]1CCN(C2CC2)C1	161334686	LQPNOFIRZPXPFX-LLVKDONJSA-N	324.856	2.411	70	20	DEID	
O=C(NCc1cccnc1OCC(F)(F)F)[C@H]1CCCCO1	161458448	NQLMSWRVHZQIFX-LLVKDONJSA-N	318.295	2.208	70	20	DEID	
C[C@@H](NC(=O)NCCO)[C@H](C)c1ccccc1C(F)(F)F	160031843	IHRVVPOLHSEWLY-VHSXEESVSA-N	304.312	2.489	70	20	DEID	
O=S(=O)(Cc1ccccc1)N1CCC[C@H](N2CCCC2)CC1	160112456	HBFYJZGCTDYMHA-KRWDZBQOSA-N	322.474	2.467	70	20	DEID	
CC(C)C[C@H](NC(=O)c1ccc(CN)cc1)C(=O)OC(C)C	160147069	QXOIFQWCIINEBB-HNNXBMFYSA-N	306.406	2.241	70	20	DEID	
CCOCCCN1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1	160232342	WJNWKZIDMZBOER-HNNXBMFYSA-N	309.385	2.448	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)c1ccn(-c2ccccc2F)n1	160435990	YIZGLCQFIDGAEB-NSHDSACASA-N	319.336	2.083	70	20	DEID	
CCOC(=O)CCc1ccc(NC(=O)C[C@H]2CCCN2)cc1	160494489	BTRHHNGKRSEGDW-OAHLLOKOSA-N	304.390	2.263	70	20	DEID	
CC(C)NC(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O	160660721	PFHCFRWBNULOIL-LBPRGKRZSA-N	313.760	2.292	70	20	DEID	
C[C@@H](CC(=O)c1cccs1)NC(=O)CCNC(=O)C(C)(C)C	160753748	YDMURMBFLZWSCM-NSHDSACASA-N	324.446	2.378	70	20	DEID	
CCOC(=O)N(C)C1CCN(CCCN2CCCCC2)CC1	160847720	RJLYUQJPJYEWOJ-UHFFFAOYSA-N	311.470	2.415	70	20	DEID	
C[S@@](=O)c1ccc(CN[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1	159649985	GXSOZDYJUMBCKE-OSAWLIQMSA-N	305.443	2.471	70	20	DEID	
O=C(NCC1(CO)CCOCC1)Nc1ccc(F)c(F)c1F	159673619	BGSHIAJTCMKGHO-UHFFFAOYSA-N	318.295	2.015	70	20	DEID	
CCOC(=O)c1[nH]c(C)c(S(=O)(=O)N(CC)C(C)C)c1C	159502047	POWGGNQXEOEYMP-UHFFFAOYSA-N	316.423	2.227	70	20	DEID	
CSc1ccccc1NC(=O)NCC1(CO)CCOCC1	159733780	TVTKGAYFNGBXFT-UHFFFAOYSA-N	310.419	2.319	70	20	DEID	
Cc1cc(C(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)ncn1	159772843	OQERZZLMLGSMHA-CYBMUJFWSA-N	314.364	2.180	70	20	DEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC(C2CCCCC2)C1	1123830155	RUZFHHYUMRWYDJ-UHFFFAOYSA-N	314.382	2.325	70	20	DEID	
C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2CS(=O)(=O)F)C1	881895745	ZPEDMDKFSCGFLL-SECBINFHSA-N	302.327	2.240	70	20	DEID	
COCCC1(CNC(=O)N[C@@H]2CCN(CC3CC3)C2)CCCC1	161108005	CJRIFMGPTMPJCL-MRXNPFEDSA-N	323.481	2.367	70	20	DEID	
O=C(CC1=CCCCC1)N[C@@H]1CCN(C(=O)c2ccccn2)C1	160150852	UWXPZVKBPIUWEF-OAHLLOKOSA-N	313.401	2.303	70	20	DEID	
COc1cccc2c1CC[C@@H]2NC(=O)C1CCN(C(C)=O)CC1	160178999	GBQZDOBFIXHUCD-INIZCTEOSA-N	316.401	2.057	70	20	DEID	
C[C@@]1(NC(=O)Nc2ccc(NC(=O)C3CC3)cc2)CCOC1	160235526	RKIOIQDBAXDOAC-MRXNPFEDSA-N	303.362	2.336	70	20	DEID	
CCC(CC)c1cc(C(=O)N2CCN(C(=O)N(C)C)CC2)on1	160289167	GKOHRPXKLKSYEX-UHFFFAOYSA-N	322.409	2.018	70	20	DEID	
Cc1cc(C(=O)N2CCN(c3ncccn3)CC2)cc(C)c1F	160387782	NYTSKHFSLJSINU-UHFFFAOYSA-N	314.364	2.195	70	20	DEID	
Cc1ccc(NC(=O)C(=O)N(C)c2ccc3c(c2)OCO3)cc1	160445555	GSLAIEJJJOTVCE-UHFFFAOYSA-N	312.325	2.325	70	20	DEID	
CC(C)(C)c1ccc([C@H](O)CNC(=O)C[C@H]2COC(=O)C2)cc1	160474704	SRBAVOVMSPXBDK-IUODEOHRSA-N	319.401	2.087	70	20	DEID	
CN[C@@H]1CCN(C(=O)c2cccnc2SC(F)(F)F)C1	160711363	MYYKNGNZQAIKDV-MRVPVSSYSA-N	305.325	2.127	70	20	DEID	
C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cc(F)cc2cccnc12	160910559	ZTFZIDGDOUYQOA-ZYHUDNBSSA-N	315.348	2.100	70	20	DEID	
COc1ccc(C(C)(C)C(=O)NCCCc2cnn(C)c2)cc1	160932180	XEWPFNQABMKQPA-UHFFFAOYSA-N	315.417	2.455	70	20	DEID	
CC(=O)N1CC[C@H](NC(=O)CSc2cc(C)ccc2C)C1	159602189	KQLAYMIQHHDMFC-AWEZNQCLSA-N	306.431	2.133	70	20	DEID	
CC[C@@H](C)OCC(=O)Nc1cc(C(=O)N(C)C)ccc1OC	159826374	GLRYANJZPGPDEL-LLVKDONJSA-N	308.378	2.151	70	20	DEID	
CC(=O)N1CC[C@@H](NC(=O)Cc2c[nH]c3cc(Cl)ccc23)C1	159635385	HNECJBSJVGMSQN-CYBMUJFWSA-N	319.792	2.101	70	20	DEID	
CCN1CCCN(C(=O)NCCOC2CCCCCC2)CC1	159879856	GPAFXVDSAOPLOL-UHFFFAOYSA-N	311.470	2.463	70	20	DEID	
COc1ccc(CCC(=O)N[C@H]2CCN(C(C)=O)C2)cc1Cl	159705067	ARARKHXBCQIBAL-ZDUSSCGKSA-N	324.808	2.018	70	20	DEID	
COC[C@@H](NC(=O)N(CCN(C)C)C(C)C)c1ccc(C)o1	159374149	SQFLDBWZQYPIFE-CQSZACIVSA-N	311.426	2.257	70	20	DEID	
NCC1CCN(C(=O)Cc2ccccc2Br)CC1	217268469	HUBWSOYFCRAZDZ-UHFFFAOYSA-N	311.223	2.189	70	20	DEID	
O=C(N[C@H]1CCC(F)(F)C1)c1ccc(S(=O)(=O)F)cc1	864242616	NMXZZKIOKHHHGF-VIFPVBQESA-N	307.293	2.262	70	20	DEID	
CCn1cc(S(=O)(=O)Nc2cccc(OCCF)c2)cn1	161210627	HTUOCMLJCLVWRW-UHFFFAOYSA-N	313.354	2.052	70	20	DEID	
O=C(NCc1ncccc1F)c1csc([C@H]2CCCO2)n1	161324568	DFIZZRFOTSDDMG-GFCCVEGCSA-N	307.350	2.459	70	20	DEID	
COc1ccc(Cn2c(-c3ccccn3)noc2=O)cc1F	161328062	FIGAEOWUOSDZPD-UHFFFAOYSA-N	301.277	2.094	70	20	DEID	
Cc1noc(Cl)c1CC(=O)NC[C@@H](C)N1CCC(C)CC1	161405510	QDOAYZUZCLZBDN-LLVKDONJSA-N	313.829	2.416	70	20	DEID	
Cc1cnccc1CCNC(=O)N[C@H]1[C@H]2CCO[C@@H]2C1(C)C	161479873	ASCCPVIXFHBXIC-ILXRZTDVSA-N	303.406	2.045	70	20	DEID	
CC(C)(C)OC(=O)N1CC[C@@]2(CCN(c3ncccn3)C2)C1	160018351	QHDWXVIEWRNGNI-MRXNPFEDSA-N	304.394	2.314	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)c1cccc(OC(F)F)c1	160033846	BSLUVBWYLGPKEG-SECBINFHSA-N	301.289	2.360	70	20	DEID	
CCCCN(C)CC1CCN(C(=O)c2ccc(OC)nn2)CC1	160084150	RLWJXNQLKRWWSP-UHFFFAOYSA-N	320.437	2.069	70	20	DEID	
COc1cccc2c1CC[C@@H]2NC(=O)CCOC[C@@H]1CCCO1	160098302	SUMOIIFXRVVBPG-BBRMVZONSA-N	319.401	2.384	70	20	DEID	
CS[C@H](C)CC(=O)NCc1cccc(CN2CCOCC2)c1	160164649	CKCAPFWMMZDSQG-CQSZACIVSA-N	322.474	2.277	70	20	DEID	
COC(=O)Cc1nnc(NC(=O)CC[C@H](C)c2ccccc2)[nH]1	160310443	GCXZBSGTGZCMHW-NSHDSACASA-N	316.361	2.043	70	20	DEID	
C[C@H](Oc1ccccc1Br)C(=O)N(C)[C@@H](C)CO	160477551	WZLQZYYKPIVXTO-UWVGGRQHSA-N	316.195	2.056	70	20	DEID	
COc1ccc2c(c1)CCC[C@@H]2NCC(=O)NCC(F)(F)F	160605854	CMASVJVVMJBPOX-ZDUSSCGKSA-N	316.323	2.341	70	20	DEID	
COCCS(=O)(=O)N1CCCCC[C@@H]1c1ccc(C)o1	160631452	SGZDJALWXRJBJZ-CYBMUJFWSA-N	301.408	2.481	70	20	DEID	
CC(C)[C@@H](CCO)NC(=O)CSCC(=O)c1ccccc1	160665979	LGHKGLOXHFFATA-CQSZACIVSA-N	309.431	2.126	70	20	DEID	
O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)N(CCO)CC1CC1	160673516	MRXBZBLYBWZHFV-IAGOWNOFSA-N	318.417	2.321	70	20	DEID	
O=C1CC[C@@H]2CN(C(=O)Nc3cccc(Cl)c3)CC[C@H]2N1	160700257	HFXLURCSWQGZNC-ZWNOBZJWSA-N	307.781	2.472	70	20	DEID	
CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)[C@@H]1CCCNC1	160832244	ODARJPPBAONTGS-NVXWUHKLSA-N	322.424	2.343	70	20	DEID	
COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ccnc(C)c1	160919024	ABHSAKVPTMGCSK-UHFFFAOYSA-N	324.333	2.117	70	20	DEID	
Cc1onc(-c2ccncc2)c1C(=O)N[C@H](C)[C@H]1CCOC1	160955724	ZVQUCUCNBZKTIA-MFKMUULPSA-N	301.346	2.200	70	20	DEID	
CCOC(=O)c1[nH]c(C)c(S(=O)(=O)NCC(C)(C)C)c1C	159605670	WOTQMHCZMXZQCW-UHFFFAOYSA-N	316.423	2.133	70	20	DEID	
CC[C@H](O)CCNC(=O)c1cc(OC)c(OC)cc1Cl	159854299	JKBKWHUNBOQQBI-VIFPVBQESA-N	301.770	2.248	70	20	DEID	
C[C@H]1C[C@H](NC(=O)N2CCOC[C@@H]2C)CN1Cc1ccccc1	159883853	QTSFKULCQGABEZ-ZOBUZTSGSA-N	317.433	2.080	70	20	DEID	
C[C@H]1CSc2ccccc2N(C(=O)[C@@H]2CC(=O)N(C)C2)C1	159505402	LIZFNVBLFHSIEL-VXGBXAGGSA-N	304.415	2.240	70	20	DEID	
CS[C@H](CO)[C@@H](C)NC(=O)Nc1ccn(CCC(C)C)n1	159714976	VMTLDIHCAPSKAL-VXGBXAGGSA-N	314.455	2.163	70	20	DEID	
COCCNCC(=O)Nc1cc(F)ccc1SCC(F)F	159593354	PQUDKRLJYWCKAG-UHFFFAOYSA-N	322.352	2.357	70	20	DEID	
COc1ccc(NC(=O)N(C)C2CCN(C)CC2)cc1OC	217267301	ROAUHOQEEPNMST-UHFFFAOYSA-N	307.394	2.262	70	20	DEID	
Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)NCC(C)(C)N	160065530	ISPHSEJNLFXBNQ-VOTSOKGWSA-N	312.845	2.368	70	20	DEID	
OCC1(CNC[C@H](O)COc2ccc(Cl)cc2)CCCC1	160145857	OGASQGDNOBIDML-AWEZNQCLSA-N	313.825	2.222	70	20	DEID	
O=C(Nc1cccc(-c2nnco2)c1)[C@@H]1CCn2ccnc2C1	160344380	OOLUFHBNUMPWRC-LLVKDONJSA-N	309.329	2.134	70	20	DEID	
Clc1cc(N2CCC[C@H]2CN2CCOCC2)nc(C2CC2)n1	160418362	UTWJTVWIOISEFW-ZDUSSCGKSA-N	322.840	2.308	70	20	DEID	
COC(=O)C[C@@H](C)C(=O)NC[C@H](Nc1ccccc1)C(C)C	160570352	XLJOAYRXATUTLK-HIFRSBDPSA-N	306.406	2.439	70	20	DEID	
COC(C)(C)CNC(=O)Nc1ccc(-c2ncn(C)n2)cc1	160639954	RRQHTCRHZRWIFB-UHFFFAOYSA-N	303.366	2.029	70	20	DEID	
C[C@H]1CC(=O)CC[C@@H]1C(=O)NC[C@@H](c1ccccc1)N(C)C	160926387	PKOSIUUKWKMVAN-JQFCIGGWSA-N	302.418	2.411	70	20	DEID	
O=C(/C=C/c1cccc(OC2CCCC2)c1)N1CCNCC1	159437390	KRJUYBDJIOTJKP-CMDGGOBGSA-N	300.402	2.453	70	20	DEID	
C[C@@H]1CC(NC(=O)NCCOCc2ccccc2)C[C@@H](C)O1	159633293	JMNGKVBPJWTTNN-ZIAGYGMSSA-N	306.406	2.458	70	20	DEID	
COC(=O)C(C)(C)CNC(=O)c1cc(F)cc(Cl)c1O	159451464	HXSOJTCPTMKOBU-UHFFFAOYSA-N	303.717	2.114	70	20	DEID	
CCS(=O)(=O)C[C@@H](C)N(C)CCC(=O)c1ccc(C)cc1	159668166	XNCMEFJSXZUJMU-CQSZACIVSA-N	311.447	2.323	70	20	DEID	
COc1cccc(CNC(=O)N(C)C[C@H]2CCC[C@H]2O)c1OC	159671358	ZIODGNWDERCYRZ-ZIAGYGMSSA-N	322.405	2.006	70	20	DEID	
CSCC[C@H](N)C(=O)Nc1ccc(C)c(C(=O)NC(C)C)c1	159498697	QDDRLUSINMJODP-AWEZNQCLSA-N	323.462	2.152	70	20	DEID	
O=C(Nc1ccccc1-n1cccn1)C(=O)N1CCC2(CCC2)C1	159365668	NCMVYYCSMIUTNS-UHFFFAOYSA-N	324.384	2.213	70	20	DEID	
CC(C)(CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CC1	1338818175	SNQKYQSRLDWYJO-UHFFFAOYSA-N	302.371	2.229	70	20	DEID	
CC(C)Sc1ccccc1NC(=O)C(=O)NC[C@H]1CCCO1	161018629	WOQQSENCLPJCEF-GFCCVEGCSA-N	322.430	2.421	70	20	DEID	
C[C@H]1CCC[C@H]1NC(=O)N1CCN(Cc2ccccn2)CC1	160079472	MHZXFNJKYWRVQX-GOEBONIOSA-N	302.422	2.097	70	20	DEID	
COc1cccc2c1CC[C@@H]2NC(=O)CCCC(=O)NC(C)C	160116171	CBLHHCLMQJARNC-HNNXBMFYSA-N	318.417	2.494	70	20	DEID	
CCSc1cc(Cl)ccc1C(=O)N[C@@H]1CCN(C)C1=O	160290866	JDXSMPXTYHFFNG-LLVKDONJSA-N	312.822	2.413	70	20	DEID	
O=C(NCCOCc1ccc(Cl)cc1)N1CCC[C@@H](O)C1	160503057	XVQDNGNRSLEYJZ-CQSZACIVSA-N	312.797	2.023	70	20	DEID	
COC[C@@H]1CCCN(C(=O)Nc2ccn(CC(F)(F)F)n2)C1	160734175	TYOJEGLEHHRGHK-SNVBAGLBSA-N	320.315	2.336	70	20	DEID	
CC(C)c1cc(=O)n(CC(=O)N(C)[C@H]2CCCC[C@H]2C)cn1	160875960	CBGUKGPLVJATJY-HIFRSBDPSA-N	305.422	2.404	70	20	DEID	
CCC(=O)Nc1ccc(NC(=O)C2(O)CCSCC2)cc1	159817665	GQTIFFNCSVDXAM-UHFFFAOYSA-N	308.403	2.232	70	20	DEID	
C[C@]1(O)CCCN(C(=O)NCCc2c[nH]c3ccccc23)C1	159677953	NFKHOILPLXDNNK-KRWDZBQOSA-N	301.390	2.267	70	20	DEID	
Cn1c(SCc2nc(C3CC3)no2)nnc1-c1ccccn1	159573167	MTFYQAWZPPPDQP-UHFFFAOYSA-N	314.374	2.430	70	20	DEID	
O=C(NCc1ccc(Cl)cc1)N1CCc2ncncc2C1	218068409	VDIOANVTPMZJON-UHFFFAOYSA-N	302.765	2.398	70	20	DEID	
COc1ccc(NC(=O)c2cccc(S(=O)(=O)F)c2)cn1	1120784714	CMQDBVAXHIXNBM-UHFFFAOYSA-N	310.306	2.001	70	20	DEID	
COc1ccc2c(c1)CN(C(=O)c1cccc3[nH]c(=O)oc13)CC2	161090108	BSZBAQHFJGTQCY-UHFFFAOYSA-N	324.336	2.328	70	20	DEID	
Cc1noc(C)c1CN1CCC[C@@H](c2nnc3n2CCC3)C1	161405408	FJWQXDZTUJWAPV-CYBMUJFWSA-N	301.394	2.209	70	20	DEID	
Cc1noc(C)c1C[C@H](C)NC(=O)N(C)C[C@@H]1CCC[C@@H]1O	161427139	OOJAZRQGQAWZTJ-XEGUGMAKSA-N	309.410	2.025	70	20	DEID	
CCc1noc(C)c1CS[C@H]1CCN(c2cnn(C)c2)C1=O	160066472	CPFMWDKFHYXGIT-AWEZNQCLSA-N	320.418	2.318	70	20	DEID	
CCc1noc(C)c1NC(=O)C(=O)N(C)CCc1ccccc1	160124669	VLYAOPYIESNPPS-UHFFFAOYSA-N	315.373	2.185	70	20	DEID	
O=C(CCc1ccc(Cl)cc1)NC[C@@H](O)CN1CCCCC1	160310433	DLMJEBUCEKBTBC-MRXNPFEDSA-N	324.852	2.236	70	20	DEID	
Cn1cnc2cc(C(=O)NC(C)(C)c3nccs3)cnc21	160534696	ZSWJKPDDVABJNN-UHFFFAOYSA-N	301.375	2.090	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)c1cc(-c2ccccc2)on1	160593695	ZCJVLVKQAQBSCB-LLVKDONJSA-N	302.330	2.413	70	20	DEID	
COCCNC(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1	160725790	UHILOLJLDNRAHQ-JTQLQIEISA-N	315.776	2.003	70	20	DEID	
C[C@@H](Nc1ccc(CC(=O)N(C)C)cc1)C(=O)OC(C)(C)C	160770799	VIDZECITTGULJP-GFCCVEGCSA-N	306.406	2.459	70	20	DEID	
COc1cccc(CN(Cc2nncn2C)C[C@H]2CCCO2)c1	160855554	LSDJMKNZXWDNNA-MRXNPFEDSA-N	316.405	2.005	70	20	DEID	
Cc1nccc(NC(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)c1Cl	159412988	FLWFYGWKXFGNEQ-JTQLQIEISA-N	322.796	2.176	70	20	DEID	
COc1cc(CNC(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)ccc1O	159540135	IIMLIDGDCQNADP-UKRRQHHQSA-N	320.389	2.158	70	20	DEID	
Fc1ccc(-c2noc(CSCCN3CCOCC3)n2)cc1	159759026	ZTOSSMMYNDHNPZ-UHFFFAOYSA-N	323.393	2.441	70	20	DEID	
CS[C@H](CO)[C@@H](C)NC(=O)c1cc(Cl)c(N)c(Cl)c1	159648341	GMJZWMFMLVTYDE-LHLIQPBNSA-N	323.245	2.418	70	20	DEID	
C[C@H](CS(=O)(=O)Cl)N(C)C(=O)OCc1ccccc1	219103433	QTQLVXUVFWXCEW-SNVBAGLBSA-N	305.783	2.212	70	20	DEID	
COC[C@@H](O)CCNC(=O)COc1cc(C)ccc1C(C)C	161119352	BSGCSVAPMHQDEU-AWEZNQCLSA-N	309.406	2.011	70	20	DEID	
CC(C)(C)[C@@H]1CCCN(C(=O)N[C@@H]2CCc3ncnn3C2)CC1	161242498	YAZGULQWMCDHBI-ZIAGYGMSSA-N	319.453	2.451	70	20	DEID	
CNC[C@H]1CCCN1C(=O)c1cccc(NC(=O)NC(C)C)c1	161253528	WQDVTBNZKDLBIB-OAHLLOKOSA-N	318.421	2.041	70	20	DEID	
CC(C)Cn1cc(NC(=O)N[C@H]2c3ccccc3C[C@@H]2O)cn1	161337634	KLEZWJHTGXZTLT-HOTGVXAUSA-N	314.389	2.319	70	20	DEID	
Cc1c(/C=C/C(=O)NCCN2c3ccccc3C[C@H]2C)cnn1C	161485833	IHVHQSICUQESNK-MYSGNRETSA-N	324.428	2.309	70	20	DEID	
CCCCn1ncc(NC(=O)NCCOC[C@@H]2CCCO2)c1C	160084334	NMDKBACAVKXING-AWEZNQCLSA-N	324.425	2.309	70	20	DEID	
CC(C)NC(=O)c1ccc(C(=O)NC2(C)CCOCC2)cc1	160085705	JMYDGQPXSOCDGU-UHFFFAOYSA-N	304.390	2.124	70	20	DEID	
CC(C)OC(=O)CCCNC(=O)NCC(C)(C)[C@@H](O)C(C)C	160125392	NKFMJAJWTYGTGR-AWEZNQCLSA-N	316.442	2.061	70	20	DEID	
Cc1nn(C)c(C)c1[C@@H](OC(=O)[C@H]1CCOC1)C(F)(F)F	160210336	MZTKJUYKWXTPAD-GXSJLCMTSA-N	306.284	2.220	70	20	DEID	
C[C@]1(NC(=O)Nc2ccc(NC(=O)C3CC3)cc2)CCOC1	160235398	RKIOIQDBAXDOAC-INIZCTEOSA-N	303.362	2.336	70	20	DEID	
O=C(Cc1ccsc1)NC1CCN([C@@H]2CCCC[C@@H]2O)CC1	160303126	GYUNDYDWZWUTJC-CVEARBPZSA-N	322.474	2.175	70	20	DEID	
CN[C@H]1CCN(C(=O)CCCc2ncc(-c3ccccc3)o2)C1	160485671	SZUUWHJESSJGRK-HNNXBMFYSA-N	313.401	2.485	70	20	DEID	
COc1cc(C)ccc1CNC(=O)c1cnc2c(c1)ncn2C	160792009	BLPUYPCTYRVBOC-UHFFFAOYSA-N	310.357	2.215	70	20	DEID	
O=C(NC[C@H]1CCCC[C@@H]1O)Nc1ccn(CC(F)(F)F)n1	160820943	ZFTYUASPJQEJBB-ZJUUUORDSA-N	320.315	2.118	70	20	DEID	
CC(C)CN(CC(N)=O)C(=O)CCc1nc2ccccc2s1	159811666	NRACSVQBJHPSQP-UHFFFAOYSA-N	319.430	2.199	70	20	DEID	
O=C(CCC1CCCC1)CN1C(=O)c2ccccc2S1(=O)=O	159917262	TUCRNJYLMNQQEI-UHFFFAOYSA-N	321.398	2.371	70	20	DEID	
CCc1nc(CSc2nnc(-c3ccccn3)n2C)no1	159582564	QGMPBUBBOVGKHM-UHFFFAOYSA-N	302.363	2.115	70	20	DEID	
CS[C@H](CO)[C@@H](C)NC(=O)c1cc(F)c(Cl)cc1F	159655614	DLBRYNIAIOUYLL-KSBSHMNSSA-N	309.765	2.460	70	20	DEID	
CC(=O)c1ccc(C(=O)Nc2cccc(S(=O)(=O)F)c2)o1	460093810	OYLANBOJHFHYCE-UHFFFAOYSA-N	311.290	2.393	70	20	DEID	
CCCNC(=O)[C@H](C)S(=O)(=O)c1ncc(C(C)(C)C)s1	160390495	QZWLBPUBCROTHG-VIFPVBQESA-N	318.464	2.129	70	20	DEID	
CN(C)c1cc(C(=O)Nc2cccc(S(=O)(=O)F)c2)ccn1	460090676	ICCFKJZGENBJKD-UHFFFAOYSA-N	323.349	2.058	70	20	DEID	
O=C(O)c1cc(S(=O)(=O)F)c(Br)cc1Cl	238853009	HVEHMTXOLDJVCS-UHFFFAOYSA-N	317.519	2.459	70	20	DEID	
CC(C)c1ccccc1NCC(=O)NCC(=O)NC(C)(C)C	161124435	ANUOZGQRUNZOLI-UHFFFAOYSA-N	305.422	2.253	70	20	DEID	
O=S(=O)(Cc1ccc(Cl)nc1)NCC1(C2CC2)CC1	160165896	IBWJEFRQRSPHQT-UHFFFAOYSA-N	300.811	2.345	70	20	DEID	
CC(C)NC(=O)CCCC(=O)N[C@@H]1CCOC2(CCCC2)C1	160240001	SKUWUTPQFRXRJN-CQSZACIVSA-N	310.438	2.289	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)CSc1nc2ccccc2o1	160332679	AJWYMQXWFMDLOF-JTQLQIEISA-N	322.386	2.378	70	20	DEID	
O=C(Nc1ccc(C(=O)NC2CC2)cc1)N[C@H]1CC[C@H](O)CC1	160464658	RZJTZRHBDXSVIA-GASCZTMLSA-N	317.389	2.004	70	20	DEID	
CC(=O)N[C@H]1CCCN(C(=O)Nc2ccn(CCC(C)C)n2)C1	160588141	SGRDRAUNJJHFEW-AWEZNQCLSA-N	321.425	2.062	70	20	DEID	
COC(=O)NCc1ccc(NC(=O)[C@H]2CCC(=O)C[C@@H]2C)cc1	160846566	DZWAGZHQMRAUGR-NHYWBVRUSA-N	318.373	2.486	70	20	DEID	
C[C@H](NC(=O)[C@@H](C)SCCN1CCOCC1)c1ccccc1	159929805	GDXPKOJKRASSBG-LSDHHAIUSA-N	322.474	2.318	70	20	DEID	
CCOc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]2OC)c(C)c1	159949788	SUJAPCRYCVEFJU-HUUCEWRRSA-N	320.389	2.016	70	20	DEID	
CSCc1cccc(NC(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)c1	159589226	QOWFMTAEMLSQGY-WFASDCNBSA-N	323.462	2.390	70	20	DEID	
CC(C)CCC(=O)NCC(=O)NCCc1cc2ccccc2[nH]1	159512497	PGBKXXQDZGOHQK-UHFFFAOYSA-N	315.417	2.379	70	20	DEID	
Cc1cc(NC(=O)CSCC(=O)c2ccccc2)c[nH]c1=O	159548090	VHZSTLHTIIGODY-UHFFFAOYSA-N	316.382	2.238	70	20	DEID	
CCOC(=O)CN(C(=O)[C@@H](C)Cc1ccc(OC)cc1)C1CC1	159572900	MZOIQPQDTATKAG-ZDUSSCGKSA-N	319.401	2.428	70	20	DEID	
O=C(N[C@H]1CCc2[nH]ncc2C1)N[C@@H]1CCCc2occc21	159771550	AGJRSUZOZNTKDW-SMDDNHRTSA-N	300.362	2.237	70	20	DEID	
Cc1cc(C)cc(C(=O)NCC(=O)NCC2(C3CC3)CC2)c1	159842568	WBGRMAXXEJUYER-UHFFFAOYSA-N	300.402	2.340	70	20	DEID	
C[C@H](CO[C@H]1CCOC1)NC(=O)N1CCc2cccc(F)c2C1	159863863	KEJVZZDPLTUMLK-OCCSQVGLSA-N	322.380	2.087	70	20	DEID	
Cc1cccc([C@@H](NC(=O)[C@H]2CC(=O)N(C)C2)c2ccccn2)c1	160098237	GKKWFSZTTZOAEC-MAUKXSAKSA-N	323.396	2.074	70	20	DEID	
O=C1C[C@H](C(=O)N[C@H]2CCSc3c(F)cccc32)CCN1	160196548	BPWIVBQGBFTHJP-SKDRFNHKSA-N	308.378	2.005	70	20	DEID	
Cc1n[nH]c(SCC(=O)N[C@H]2CCOC3(CCCCC3)C2)n1	160539204	AETYVROKRCNPBI-LBPRGKRZSA-N	324.450	2.203	70	20	DEID	
CC1(O)CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1	160610210	FMGRFYLWLHVRPP-UHFFFAOYSA-N	323.336	2.241	70	20	DEID	
C[C@H](O)[C@H]1CCCN(C(=O)Nc2ccn(CC(F)(F)F)n2)C1	160648556	BJAQZLWKGQHCSE-UWVGGRQHSA-N	320.315	2.070	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)Cc1c(C)[nH]c2ccccc12	160821819	ZQVAQQSUJLEVMH-NSHDSACASA-N	302.374	2.477	70	20	DEID	
COC(=O)c1csc(NC(=O)N[C@H](C)c2cnn(C)c2)c1	160960989	IANDOLXGVHAHGM-MRVPVSSYSA-N	308.363	2.151	70	20	DEID	
CSCC[C@@H](N)C(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C	161178638	MLXVZQRAVRIYEW-YNEHKIRRSA-N	302.484	2.024	70	20	DEID	
CC1CCN(C2CCC(NC(=O)C3=COCCO3)CC2)CC1	161503452	YIANUINXGMAFOH-UHFFFAOYSA-N	308.422	2.034	70	20	DEID	
COC1CC(C(=O)Nc2ccc(C)c(S(=O)(=O)F)c2)C1	875836805	WBRQZSQDXFTXSB-UHFFFAOYSA-N	301.339	2.017	70	20	DEID	
C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2CS(=O)(=O)F)C[C@@H]1C	882037155	VYJAKSFRLDQVNM-AOOOYVTPSA-N	316.354	2.486	70	20	DEID	
O=C(NC[C@H]1CCCSC1)c1cccc(S(=O)(=O)F)c1	1517974237	CYUYJCSUFQLLHZ-SNVBAGLBSA-N	317.407	2.218	70	20	DEID	
Cc1cc2n[nH]cc2cc1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1521438566	SAOWJFZNDAKFSG-UHFFFAOYSA-N	322.321	2.110	70	20	DEID	
CC(C)N(CC(F)F)C(=O)c1cccc(S(=O)(=O)F)c1	1348708399	WRSQMCQCIIZNPP-UHFFFAOYSA-N	309.309	2.461	70	20	DEID	
C[C@@H](CCC(=O)NCCN1C(=O)CCCC1=O)c1ccccc1	161127141	LLSUIRDVKZHLFB-AWEZNQCLSA-N	316.401	2.226	70	20	DEID	
Cc1ccc(NC(=O)N[C@@H](C)C(=O)NCc2ccccc2)cn1	161376467	TZXHNERGSYZPBE-ZDUSSCGKSA-N	312.373	2.216	70	20	DEID	
CCO[C@H](C)C(=O)NCc1ccc(COC2CCOCC2)cc1	161456358	SSVKMWJFLHHZNZ-CQSZACIVSA-N	321.417	2.423	70	20	DEID	
COc1cc(CCC(=O)NCc2ccnn2C)ccc1Cl	161460395	DPQDCHUMSIXHOY-UHFFFAOYSA-N	307.781	2.331	70	20	DEID	
O=S(=O)(Cc1cc(-c2cccs2)on1)C1CCOCC1	160045644	GAOKOZYIVXCSHS-UHFFFAOYSA-N	313.400	2.497	70	20	DEID	
CCN1CCCC[C@@H]1CNC(=O)NCCc1ccc(Cl)nc1	160104815	QGZCMXIVSNQMBC-CQSZACIVSA-N	324.856	2.451	70	20	DEID	
CN(C[C@@H]1CCC[C@H]1O)C(=O)NCCc1cc(F)cc(F)c1	160364387	UAPOGEPPNGBECA-SWLSCSKDSA-N	312.360	2.310	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)Cc1cn(C)c2ccccc12	160413581	OVNODYHTGWBZGA-GFCCVEGCSA-N	302.374	2.179	70	20	DEID	
COc1ccccc1OC[C@@H](C)CNC(=O)NC[C@H]1CCCO1	160572087	FPUQNLFRGCHEMM-UONOGXRCSA-N	322.405	2.188	70	20	DEID	
COCCC(C)(C)C(=O)Nc1ccc(S(=O)(=O)F)cc1	122985275	YSYZCBCPUOPHQK-UHFFFAOYSA-N	303.355	2.346	70	20	DEID	
CC(C)(C#N)CC(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	857674259	GURRWVWIJAAZAM-UHFFFAOYSA-N	302.302	2.362	70	20	DEID	
Cc1ccc(CCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)c(C)c1	1339472931	WWULJJWEKKBLRB-UHFFFAOYSA-N	324.377	2.262	70	20	DEID	
CCOc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CCNC(=O)C2)cc1	160014024	RWRGBDBQPFMLTP-ZBFHGGJFSA-N	316.401	2.275	70	20	DEID	
COCCOc1cccc(CC(=O)NCCc2ccco2)c1	160025486	SFMLRSWIDAHAER-UHFFFAOYSA-N	303.358	2.206	70	20	DEID	
Cc1ccc2c(c1)[C@H](NC(=O)c1ncn(-c3ccccc3)n1)CO2	160332088	BKEWAIMYNDFRHN-OAHLLOKOSA-N	320.352	2.439	70	20	DEID	
COC(=O)c1csc(NC(=O)C(=O)N[C@H]2CCC[C@@H](C)C2)c1	160353565	QJLIYMSUXAWVOH-KOLCDFICSA-N	324.402	2.168	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)c1ccc(C)c(NC(C)=O)c1	160437622	WHUHFYFFRFAACL-NSHDSACASA-N	306.362	2.025	70	20	DEID	
CCCC1(CNC(=O)CCOc2cccc(C(N)=O)c2)CC1	160576435	PVHQSVSKQKBGSK-UHFFFAOYSA-N	304.390	2.251	70	20	DEID	
COc1ccc(S(=O)(=O)Nc2ccc(OC)nc2C)cc1	160670501	GGWAKWZPCVYBIB-UHFFFAOYSA-N	308.359	2.208	70	20	DEID	
CC(=O)N1CC[C@H](NC(=O)c2nc(-c3ccco3)sc2C)C1	159498106	FKRDSJWYOVYFMZ-NSHDSACASA-N	319.386	2.062	70	20	DEID	
CCC(=O)N1CCCN(C(=O)c2ccc(Cl)nc2C)CC1	159919491	IPTNFUGSMJXVGA-UHFFFAOYSA-N	309.797	2.128	70	20	DEID	
COCc1cc(NCCSCCCO)nc(C(C)(C)C)n1	159737545	IRPVZKPAANOMNR-UHFFFAOYSA-N	313.467	2.448	70	20	DEID	
Cc1cc(NC(=O)CSc2nccn2C(C)(C)C)c[nH]c1=O	159549356	BGGATXNBPVAOEG-UHFFFAOYSA-N	320.418	2.366	70	20	DEID	
CCCCc1cc(NS(=O)(=O)c2cnn(C(C)C)c2)[nH]n1	159958027	IUWNCSAYSHBENY-UHFFFAOYSA-N	311.411	2.331	70	20	DEID	
O=C(NCCc1ccccc1)c1cccc(S(=O)(=O)F)c1	1336920656	JKLSNJASYMFONQ-UHFFFAOYSA-N	307.346	2.317	70	20	DEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCCc2ccccc21	1337667368	ONQUGWOZZITOMZ-UHFFFAOYSA-N	308.334	2.266	70	20	DEID	
CC1(C)C[C@H](NC(=O)NCc2ccc3c(c2)OCCO3)CCO1	161042786	QKOYWWOHBSKGCI-CYBMUJFWSA-N	320.389	2.215	70	20	DEID	
CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)[C@H]1CSCN1	161057602	DEBNNHRYGNWJAZ-OASPWFOLSA-N	314.838	2.195	70	20	DEID	
COc1ccc(NC(=O)CNC(=O)CC2CCCCC2)cc1N	161066771	UURHGVGRAOXZRR-UHFFFAOYSA-N	319.405	2.303	70	20	DEID	
Cc1onc(-c2ccccn2)c1C(=O)N[C@@H](CO)CC(C)C	161147397	QXBRADXTFYYUGD-GFCCVEGCSA-N	303.362	2.182	70	20	DEID	
Cc1conc1NC(=O)C(=O)N[C@H](C)c1ccccc1Cl	160017269	DRJCVDVWKGTDSV-SECBINFHSA-N	307.737	2.452	70	20	DEID	
CC[C@H](NC(=O)C(=O)Nc1nocc1C)c1ccc(OC)cc1	160056201	SATQHKCFESVNOX-ZDUSSCGKSA-N	317.345	2.198	70	20	DEID	
CC(=O)c1cc(C(=O)N(C)c2ccc3c(c2)OCO3)n(C)c1	160100379	STHSKNYFGFROTN-UHFFFAOYSA-N	300.314	2.233	70	20	DEID	
CC[C@H](COC)NC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1	160170101	VDSFCRDEGCCFLR-IUODEOHRSA-N	308.378	2.401	70	20	DEID	
CC(C)[C@H](C(=O)NC[C@@H](O)CN1CCCCC1)c1ccccc1	160206650	OADVHFWVMPCKQG-MSOLQXFVSA-N	318.461	2.389	70	20	DEID	
C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Nc1ccncc1C(N)=O	160218237	FMYOOLAOJVBXSI-DYVFJYSZSA-N	310.401	2.113	70	20	DEID	
O=C1CC[C@H]2CN(C(=O)c3ccc(F)cc3Cl)CC[C@H]2N1	160560899	AJCDWTMENCBJBT-TVQRCGJNSA-N	310.756	2.220	70	20	DEID	
Cc1nn(C)c(C)c1C[C@H](C)C(=O)N(C)Cc1cccn1C	160657875	HSROGXZUBPVPQB-LBPRGKRZSA-N	302.422	2.213	70	20	DEID	
CCCC1(CNC(=O)c2cc3c([nH]c2=O)CCCC3=O)CC1	160698904	QELLSYRSOUZHFZ-UHFFFAOYSA-N	302.374	2.204	70	20	DEID	
C[C@@H]1CCC[C@H](CNC(=O)c2ccc3[nH]c(=O)n(C)c3c2)C1	160783641	UEKIAUDFPYRXQI-NEPJUHHUSA-N	301.390	2.423	70	20	DEID	
CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N(C)Cc2cccn2C)C1	160894205	KMUWRMPSYKSIKI-GJZGRUSLSA-N	319.449	2.268	70	20	DEID	
Cc1ccc(N2CC[C@H](NC(=O)CNc3ccccc3)C2=O)cc1	160924702	IVDICPLNGCHHSX-KRWDZBQOSA-N	323.396	2.329	70	20	DEID	
CCc1nc2c(s1)[C@@H](N(C)C(=O)[C@H](C)NC(C)=O)CCC2	160993041	RQXKELKWTWEONZ-CABZTGNLSA-N	309.435	2.066	70	20	DEID	
CC[C@]1(C)C[C@@H]1C(=O)N1CCN(C(=O)c2cccs2)CC1	159884230	LGTZVOVQGRGRAU-MLGOLLRUSA-N	306.431	2.469	70	20	DEID	
CO[C@@]1(C)C[C@H](NC(=O)c2cccc3[nH]c(=O)oc23)C1(C)C	159526155	ZWYDMDJECPNBHN-ZBEGNZNMSA-N	304.346	2.055	70	20	DEID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N[C@@]1(C#N)CC1(C)C	1262799191	WUNAOVILAWDORT-CQSZACIVSA-N	310.350	2.075	70	20	DEID	
COCCC1(CNC(=O)N(CCO)Cc2ccccc2)CC1	161121458	KLKKHHBWAHBQFU-UHFFFAOYSA-N	306.406	2.007	70	20	DEID	
Cc1cc(C[C@H](C)NC(=O)c2cccc(-n3ccnc3)c2)n[nH]1	161167250	SRDCOOOHRCJVIP-LBPRGKRZSA-N	309.373	2.265	70	20	DEID	
Cc1cc(N[C@H]2CCN(C)C2=O)ccc1OC1CCOCC1	161251359	VKNSLMUFKMXMTF-HNNXBMFYSA-N	304.390	2.195	70	20	DEID	
NC(=O)[C@@H]1CCCC[C@H]1NC(=O)CCc1ccc(F)cc1F	161282698	QUHUBJVUJRTLQL-TZMCWYRMSA-N	310.344	2.058	70	20	DEID	
O=S(=O)(NCC1(C2CC2)CC1)c1cnn(-c2ccccc2)c1	160216031	HLAZEXLDXRAULX-UHFFFAOYSA-N	317.414	2.341	70	20	DEID	
CC[C@H](COC)NCc1ccc(CN2CCN(CC)CC2)cc1	160329754	QUCZKKJQAYTBSG-LJQANCHMSA-N	319.493	2.339	70	20	DEID	
O=C1C[C@@H](CC(=O)N2CCC(OCc3ccccc3)CC2)CO1	160334654	REEQWUWXCQLHET-OAHLLOKOSA-N	317.385	2.147	70	20	DEID	
CN[C@H]1CCN(C(=O)c2nn(-c3ccc(C)cc3)c3c2CCC3)C1	160479443	HVLGFACBYDTUPV-AWEZNQCLSA-N	324.428	2.103	70	20	DEID	
COc1ccccc1[C@@H](NC(=O)NCC(C)(C)O)c1ccco1	160623247	SWNVWLCJXWBSHD-OAHLLOKOSA-N	318.373	2.448	70	20	DEID	
CSCC[C@@H](N)C(=O)Nc1ccc(-c2nccc(C)n2)cc1	160879083	HERMUPPNSGBGJJ-CQSZACIVSA-N	316.430	2.471	70	20	DEID	
C[C@@H](NCc1ccccc1CS(C)(=O)=O)C1CCOCC1	160959627	UNFDBXCWPXIVNC-CYBMUJFWSA-N	311.447	2.136	70	20	DEID	
CC(C)C[C@@H](CO)NC(=O)CSc1nc2ccccc2[nH]1	160977878	IXGGRMXURGUSKX-NSHDSACASA-N	307.419	2.178	70	20	DEID	
Cc1nccc(NC(=O)NCCSCCCO)c1Cl	159726735	OIWGLDNDHZZHHO-UHFFFAOYSA-N	303.815	2.281	70	20	DEID	
CC[C@@H]1CCCN(C(C)(C)CNC(=O)c2ccc(OC)nn2)C1	159752260	JHAMBVFESGAHLI-CYBMUJFWSA-N	320.437	2.116	70	20	DEID	
CCNC(=O)CN(C)c1ncc(Cl)cc1Br	159763627	AYLUAZMOCCRFEJ-UHFFFAOYSA-N	306.591	2.070	70	20	DEID	
CCC(CC)N(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CC1	1120784717	CPUWILMWMRCPBW-UHFFFAOYSA-N	302.371	2.466	70	20	DEID	
O=C(Nc1ccc(O)c(Cl)c1)c1cc(S(=O)(=O)F)c[nH]1	1123648533	LVJWBFHCLXOXHH-UHFFFAOYSA-N	318.713	2.284	70	20	DEID	
O=C1C[C@@H](CC(=O)N(Cc2ccccc2)C[C@H]2CCCO2)CO1	161179564	WGQDRWJGRBOBEA-HZPDHXFCSA-N	317.385	2.147	70	20	DEID	
C[C@@H](c1ccncc1)N1CCC(NC(=O)N(C)C2CC2)CC1	161200014	VNEAGOQMYHJNOQ-ZDUSSCGKSA-N	302.422	2.411	70	20	DEID	
CCCn1c(C)nnc1CN1C(=O)CC2(CCCCC2)C1=O	161238195	ASJSFPOZAXBNOS-UHFFFAOYSA-N	304.394	2.206	70	20	DEID	
COC1(C(=O)N2CC[C@H](c3ccccc3)[C@H]2C)CCNCC1	161423445	IYFJPGNIZVEHQS-ZBFHGGJFSA-N	302.418	2.160	70	20	DEID	
NCCCNC(=O)COc1ccc(OCc2ccccc2)cc1	160023828	YESJROUTZMIFJT-UHFFFAOYSA-N	314.385	2.109	70	20	DEID	
CC1(CNC(=O)N2CCN(Cc3ccccn3)CC2)CCCC1	160120708	NMEWDJSBFULUTP-UHFFFAOYSA-N	316.449	2.489	70	20	DEID	
O=C([C@H]1CCn2ccnc2C1)N1CCCN(c2ccccc2)CC1	160185733	ZPAYSLFIDYFNFX-INIZCTEOSA-N	324.428	2.184	70	20	DEID	
CCCOc1ccc(CN2CCC[C@@H]2C(N)=O)cc1OCC	160340706	PPUSEWJWQRQMAL-CQSZACIVSA-N	306.406	2.324	70	20	DEID	
Cc1cnccc1CCNC(=O)NCc1nccn1C(F)F	160502758	QHFYBETXBUCPRV-UHFFFAOYSA-N	309.320	2.024	70	20	DEID	
C[C@]1(O)CCCN(C(=O)NCc2ncc(-c3ccccc3)o2)C1	160516668	IOPNAQRGZCCZRM-KRWDZBQOSA-N	315.373	2.398	70	20	DEID	
CCN(CCC(=O)OC)C(=O)c1ccccc1-c1nnc(C)o1	160573353	LONCNIIHDIRMFV-UHFFFAOYSA-N	317.345	2.070	70	20	DEID	
COc1ccc(Cl)cc1NC(=O)C[C@H](C)NCC(C)(C)O	160633490	ZESMYXMZMMRQFY-JTQLQIEISA-N	314.813	2.426	70	20	DEID	
C[C@@H](C(=O)N[C@H]1CCCC[C@@H]1C(N)=O)c1c(F)cccc1F	160737160	CVCODHSFVOVDSC-NRUUGDAUSA-N	310.344	2.229	70	20	DEID	
COC[C@H](N)C(=O)N[C@@H](c1ccc(F)cc1)c1cccs1	159440012	HUOORQHOTNXTCH-JSGCOSHPSA-N	308.378	2.067	70	20	DEID	
C[C@H]1CC[C@@H](NC(=O)NCCC(=O)N(C)C)c2ccccc21	159647280	UUVHUAAEWROMHY-SWLSCSKDSA-N	303.406	2.403	70	20	DEID	
CC(=O)N1CC[C@H](NC(=O)CCSc2ccccc2F)C1	159698356	BBQUSRMWYZRDFU-LBPRGKRZSA-N	310.394	2.045	70	20	DEID	
CSCC[C@H](CO)NC(=O)COc1ccc(Cl)cc1C	159899189	YERJHGKAKHARGD-GFCCVEGCSA-N	317.838	2.257	70	20	DEID	
CS[C@H](C)CNC(=O)N[C@H](C)CN1C[C@H](C)C[C@@H](C)C1	159759606	NULQNRJWQVXHFY-AAVRWANBSA-N	301.500	2.404	70	20	DEID	
COC[C@@H](O)CCNC(=O)[C@H](C)Sc1ccc(Cl)cc1	161122321	UPHWBJVSOBWMEZ-JQWIXIFHSA-N	317.838	2.334	70	20	DEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N(CC1CCC1)CC1CC1	1338944953	VKWNILARGDBVJL-UHFFFAOYSA-N	314.382	2.325	70	20	DEID	
C[C@H]1C[C@@H](NCCCc2nnc3n2CCCCC3)CCN1C	161134359	RBIKPGZQYBWKDB-GJZGRUSLSA-N	305.470	2.009	70	20	DEID	
CC(C)C[C@H](C)NC(=O)Nc1ccccc1OCCC(N)=O	161211851	PLZVIJAESIRVCQ-LBPRGKRZSA-N	307.394	2.497	70	20	DEID	
Cc1ocnc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C	161410438	OCMAJNOTWWFXAX-JTQLQIEISA-N	309.366	2.064	70	20	DEID	
CCC[C@H](C(=O)OCC)N1CCC([C@@H](O)C(F)(F)F)CC1	161457737	IKPUKZQIYRDKKR-VXGBXAGGSA-N	311.344	2.353	70	20	DEID	
CCc1ccccc1C(=O)NC[C@H](C(C)C)N1CCOCC1	161472914	FSXACRWSKWDWJF-QGZVFWFLSA-N	304.434	2.336	70	20	DEID	
C[C@@H]1CCC[C@@H](C(=O)N2CCN(C(=O)c3ccccn3)CC2)C1	160020740	IQFDMDGKNHWJCI-HUUCEWRRSA-N	315.417	2.192	70	20	DEID	
CCOc1cc(CCCNC(=O)[C@H]2CCCNC2)ccc1OC	160063645	GPPINSPJMHFPQL-HNNXBMFYSA-N	320.433	2.142	70	20	DEID	
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N1CC[C@@H](N)C1	160202139	SMNZMOHMKSGFCS-CYBMUJFWSA-N	318.808	2.066	70	20	DEID	
CC[C@H](C)[C@@](C)(O)CNC(=O)Nc1ccn(CC(F)(F)F)n1	160477376	PCKGXZHZFBKJOT-CABZTGNLSA-N	322.331	2.364	70	20	DEID	
COC[C@@H](NC(=O)c1c(-c2ccncc2)noc1C)C(C)C	160776630	HNXFYGHHMOXHHV-CYBMUJFWSA-N	303.362	2.446	70	20	DEID	
O=C(NCCn1ccnc1)NCC1(c2cccc(F)c2)CC1	160797274	IQDJIFUPOYGBCG-UHFFFAOYSA-N	302.353	2.053	70	20	DEID	
CC(C)Cc1noc(CSCCCCS(C)(=O)=O)n1	160926504	SYFXHWWXHLDEQX-UHFFFAOYSA-N	306.453	2.326	70	20	DEID	
NC(=O)Nc1cccc(C(=O)NC[C@@H]2[C@H]3Cc4ccccc4[C@H]32)c1	159871959	JDGXPCZLANYSJD-BRWVUGGUSA-N	321.380	2.493	70	20	DEID	
C[C@H]1CCCC[C@H]1N(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1120785377	YGAXMUNIYUYZJX-JOYOIKCWSA-N	302.371	2.324	70	20	DEID	
CO[C@H](CNC(=O)c1cccc(S(=O)(=O)F)c1)C(C)(C)C	1348708440	XKZPKBZCYRBQOX-GFCCVEGCSA-N	317.382	2.136	70	20	DEID	
O=S(=O)(F)c1ccc(NC[C@]2(O)CC3CCC2CC3)nc1	1551229710	XDNLUGTYBFGHBT-QIMFLAQGSA-N	314.382	2.093	70	20	DEID	
N[C@H]1CCC[C@H](NC(=O)C2(c3ccc(F)cc3)CCOCC2)C1	161066079	GXHCLUUARHOFGT-HOTGVXAUSA-N	320.408	2.260	70	20	DEID	
Cc1cscc1NC(=O)c1coc(S(=O)(=O)N(C)C)c1	161176281	MLQNDAAENYJSLR-UHFFFAOYSA-N	314.388	2.152	70	20	DEID	
O=C(C1=Cc2cc(F)ccc2OC1)N1CCOC[C@H]1C1CC1	161283291	YWIZTZGGNBUYIN-HNNXBMFYSA-N	303.333	2.239	70	20	DEID	
Cc1nc(-c2c[nH]c(C(=O)N3CCC(C)(O)CC3)c2)cs1	161288469	SCVSAYJQGZXBNE-UHFFFAOYSA-N	305.403	2.434	70	20	DEID	
CCc1ccc(/C=C/C(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O)o1	160004658	PAZRBAGRHVKSIZ-ZGFRAZBVSA-N	313.419	2.135	70	20	DEID	
COC[C@H](NC(=O)Nc1cc(OC)c(OC)cc1F)C1CC1	160148584	LLNXKWNORNQIIB-LBPRGKRZSA-N	312.341	2.389	70	20	DEID	
CC[C@@H](C)OCC(=O)N1CCC[C@@H](NC(=O)OC(C)(C)C)C1	160309650	WBGRBJDVSSSRFT-CHWSQXEVSA-N	314.426	2.317	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)Cn1c(C)cc2ccccc21	160428612	WWKGAZDQKQCCBD-LBPRGKRZSA-N	302.374	2.408	70	20	DEID	
Cc1nc2n(n1)C[C@@H](N[C@@H](C)c1ccc(-n3ccnc3)cc1)CC2	160484835	OTNRUEDIBNVWFN-BBRMVZONSA-N	322.416	2.438	70	20	DEID	
O=C1CCCC[C@@H]1[C@@H]1COCCN1C(=O)/C=C/c1ccco1	160642683	BHPZBFFMVHOHRR-PEGRTIRESA-N	303.358	2.280	70	20	DEID	
CCOC[C@H]1CCCN(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)C1	160710817	PEBSDTJCPMVUAC-ZDUSSCGKSA-N	322.405	2.307	70	20	DEID	
CC(=O)c1cccc(O[C@H](C)C(=O)N[C@H](CCO)C(C)C)c1	160752160	RMAMCCSEINECTL-CZUORRHYSA-N	307.390	2.180	70	20	DEID	
COc1ccc(C(=O)CCC(=O)N[C@@H]2CCC[C@@H](N)C2)cc1F	160887919	DKVPJOPTMZJXRG-CHWSQXEVSA-N	322.380	2.183	70	20	DEID	
O=C(Cc1cc(Br)ccc1F)N[C@H]1CCC[C@@H]1O	159449685	SCGSSHSIDIZWOJ-RYUDHWBXSA-N	316.170	2.160	70	20	DEID	
CCN1CCCN(C(=O)NC[C@H]2CCc3ccccc32)CC1	159845679	YCOIQCQWSGGEIY-MRXNPFEDSA-N	301.434	2.454	70	20	DEID	
C[C@H](Oc1ccc(F)c(F)c1)C(=O)N1C[C@@H]2CCC[C@H](C1)N2	159722622	NFHVNTFRNAQZRW-SDDRHHMPSA-N	310.344	2.085	70	20	DEID	
C[C@H]1CCC[C@@H](C(=O)NCCc2nnc3n2CCCCC3)C1	159571940	ZBGBZCOCOQRWLK-UONOGXRCSA-N	304.438	2.490	70	20	DEID	
CCC(=O)CCCOC(=O)c1cccc(S(=O)(=O)F)c1	1354179818	BFDRIMXOAQKWLL-UHFFFAOYSA-N	302.323	2.261	70	20	DEID	
COC[C@@H](NC(=O)Nc1ccc(C(=O)OC)c(F)c1)C1CC1	161063154	FMJLIDNRWXSMIJ-CYBMUJFWSA-N	310.325	2.159	70	20	DEID	
CCOC(=O)CCN(C(=O)c1ccc(N(C)C)cc1F)C1CC1	161373522	GMXNHIUWNIUMRP-UHFFFAOYSA-N	322.380	2.450	70	20	DEID	
NCCCNC(=O)CCc1ncc(-c2ccccc2Cl)o1	160022272	USEWXAWXMDAESW-UHFFFAOYSA-N	307.781	2.393	70	20	DEID	
Cc1conc1NC(=O)C(=O)N(C)[C@H](C)c1cc(F)ccc1F	160408531	ZRJZNDAEQQUERM-SECBINFHSA-N	323.299	2.419	70	20	DEID	
CSC[C@@H]1CCCN1C(=O)c1ncn(-c2ccccc2)n1	160627510	FSPONNDNQJOEPJ-ZDUSSCGKSA-N	302.403	2.235	70	20	DEID	
CN(C[C@H]1CCOC1)[C@@H]1CCCN(c2ccccc2F)C1=O	160685674	XYRVBLQDEAPOKN-CZUORRHYSA-N	306.381	2.289	70	20	DEID	
COCc1cc(C(=O)N[C@@H](C)CC(=O)c2cccs2)no1	160733505	QYSPNZNOWXIQJL-VIFPVBQESA-N	308.359	2.274	70	20	DEID	
CN(Cc1cccn1C)C(=O)C1(NC(=O)OC(C)(C)C)CC1	160835713	DOZYUSOCIMIWGW-UHFFFAOYSA-N	307.394	2.041	70	20	DEID	
O=C(NCC1(O)CCC1)N[C@H]1CCO[C@@H](c2ccccc2)C1	160908551	BCCDCWLZUKQCOZ-LSDHHAIUSA-N	304.390	2.121	70	20	DEID	
CC(C)CN1CCC(NC(=O)c2cccc3[nH]cnc23)CC1	159401344	OFNOQLPBZDFSMB-UHFFFAOYSA-N	300.406	2.413	70	20	DEID	
CCc1nc(NC(=O)CN(C)C[C@H]2CCC[C@@H]2O)sc1C	159803142	ROXOWROURPGDIB-YPMHNXCESA-N	311.451	2.045	70	20	DEID	
CCC(CC)(CNCC(=O)N1[C@@H](C)CCC[C@H]1C)C(=O)OC	159658135	NAGFKFFPFMCULJ-OKILXGFUSA-N	312.454	2.345	70	20	DEID	
CC[C@@H](C)NC(=O)C(=O)Nc1cnn(-c2ccccc2)c1C	159906426	QCHMFKGPYUOQPK-LLVKDONJSA-N	300.362	2.034	70	20	DEID	
O=S(=O)(NCc1ccc(OCC2CC2)nc1)c1cccs1	159773522	XEFVLCKQQOFJSZ-UHFFFAOYSA-N	324.427	2.410	70	20	DEID	
CN(Cc1ccc(Cl)s1)C(=O)CN(C)[C@@H](CN)C1CC1	160013997	DCPMQECUHVKGOH-LBPRGKRZSA-N	315.870	2.029	70	20	DEID	
O=C(c1cccs1)N1CCCC[C@H]1CCS(=O)(=O)F	1615056919	OAOCLUXPAVTGMG-JTQLQIEISA-N	305.396	2.432	70	20	DEID	
CC(C)n1nccc1C(=O)Nc1ccc(S(=O)(=O)F)cc1	123024482	YHRMNHDWPVEYRX-UHFFFAOYSA-N	311.338	2.375	70	20	DEID	
CN(CCNC1CCC2(CC1)OCCO2)Cc1ccccc1	161347626	YVEUKMKRPXFRBF-UHFFFAOYSA-N	304.434	2.394	70	20	DEID	
C[C@H]1C[C@@H](C)O[C@@H]1C(=O)Nc1cccc(S(=O)(=O)F)c1	283603254	TWOJKQUCFUFNMJ-SBMIAAHKSA-N	301.339	2.097	70	20	DEID	
CCOC1CC(C(=O)Nc2ccc(C)c(S(=O)(=O)F)c2)C1	857674257	SZXOJQXLHIRXAE-UHFFFAOYSA-N	315.366	2.407	70	20	DEID	
CC(C)(C)[C@H](CCO)NC(=O)NCCc1ccc2c(c1)OCO2	161441339	MQPFWLVGQWVUNG-HNNXBMFYSA-N	322.405	2.054	70	20	DEID	
O=C1CC[C@H]2CN(C(=O)c3cc(Cl)ccc3F)CC[C@H]2N1	160175926	UCJMQSZZLRYUFQ-TVQRCGJNSA-N	310.756	2.220	70	20	DEID	
CN[C@H]1CCN(C(=O)c2cn(-c3ccc(Cl)cc3)nc2C)C1	160633454	MWXABVQZPTZKHK-ZDUSSCGKSA-N	318.808	2.268	70	20	DEID	
O=C(Nc1ccc(F)cc1Br)NC1(CO)CC1	160897783	VVRLSSTUYVZNLB-UHFFFAOYSA-N	303.131	2.235	70	20	DEID	
CC[C@@H]1CCN(C(=O)N[C@H]2CCN(C3CCCCC3)C2=O)C1	159438669	NZFOVTGPBXCCSB-HIFRSBDPSA-N	307.438	2.362	70	20	DEID	
Cc1cccc(NC(=O)CN(C)C(=O)[C@@H]2CCCCO2)c1C	159891262	DJOBAMUUXHKHCR-HNNXBMFYSA-N	304.390	2.269	70	20	DEID	
CN(C[C@@H]1CCC[C@H]1O)C(=O)NC1CCN(C(C)(C)C)CC1	159739118	CDZLCWRMYOXMQW-DZGCQCFKSA-N	311.470	2.052	70	20	DEID	
COc1ncccc1CNC(=O)NCc1nc(C2CC2)cs1	159556088	IICUZKQIVNYFPS-UHFFFAOYSA-N	318.402	2.424	70	20	DEID	
C[C@@H]1CCCN(C[C@@H](C)NC(=O)NCc2ncccc2F)C1	159750005	PBUNDIJRCXYDCE-CHWSQXEVSA-N	308.401	2.140	70	20	DEID	
O=C(N[C@@H]1CCc2[nH]ncc2C1)N[C@@H]1CCCc2occc21	159771298	AGJRSUZOZNTKDW-BXUZGUMPSA-N	300.362	2.237	70	20	DEID	
COC(=O)c1ccc(NC(=O)N2CCC[C@H]2C[C@@H](C)O)cc1	159983180	XBDBZSNMPKCYTC-RISCZKNCSA-N	306.362	2.240	70	20	DEID	
CCCCOCCCNc1ccccc1S(=O)(=O)NC	160367050	LCCIFHJJORZADF-UHFFFAOYSA-N	300.424	2.213	70	20	DEID	
CN(C)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)c1nnc[nH]1	161079039	AEWRSZGSFFWCFM-SNVBAGLBSA-N	313.283	2.184	70	20	DEID	
CCc1oc2ccccc2c1CN(C)C(=O)[C@@H]1CCNC(=O)C1	160022919	RGLDQDPPWBVHOF-GFCCVEGCSA-N	314.385	2.480	70	20	DEID	
CC(C)C[C@H]1CCCN(C(=O)NC[C@H]2CCCS2(=O)=O)C1	160116112	WOEZLVLNXHJVBM-ZIAGYGMSSA-N	316.467	2.031	70	20	DEID	
C[C@H]1CN(Cc2ccccc2)C[C@@H]1Nc1nccc(N(C)C)n1	160240398	APYOWPDVENAVRL-HOCLYGCPSA-N	311.433	2.475	70	20	DEID	
CN(Cc1cnn(C)c1)C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F	160249223	KIXDKOUOFMFSHS-OLZOCXBDSA-N	305.328	2.460	70	20	DEID	
CCCOc1nc(C(=O)NC2(CO)CC2)cc2ccccc12	160281211	RGKBUVNXNXDTRM-UHFFFAOYSA-N	300.358	2.278	70	20	DEID	
O=C(N[C@H]1CCOC2(CCCCC2)C1)c1ccc2nncn2c1	160343476	FJYJMVALYRMAPD-AWEZNQCLSA-N	314.389	2.341	70	20	DEID	
CC(C)(C)OC(=O)NCC(=O)Nc1cccc(OCCF)c1	160558625	GAFSOAYTBAGYSK-UHFFFAOYSA-N	312.341	2.498	70	20	DEID	
CCN(CC(=O)Nc1cccc(OC)c1)Cc1ccn(C)c1	160646229	FZHLYUQCCGQADW-UHFFFAOYSA-N	301.390	2.494	70	20	DEID	
CC[C@@H]1COCCN1C(=O)NC[C@@H]1CCCCN1CC(C)C	160931103	QHSWOFOWHFEDKM-CVEARBPZSA-N	311.470	2.317	70	20	DEID	
Cc1noc(C)c1[C@@H](C)CNC(=O)NC[C@H](C)N(C)C1CC1	159863220	RQUZATFTVLBMDU-QWRGUYRKSA-N	308.426	2.177	70	20	DEID	
O=C(Cc1c(F)cccc1F)N1CCC(NCC2CC2)CC1	159865662	UPHJBKIWRGSICQ-UHFFFAOYSA-N	308.372	2.498	70	20	DEID	
C[C@@H](CNC(=O)NCc1ncccc1F)CN1CCCCC1	159686003	NQPCVFLGDRMFLG-ZDUSSCGKSA-N	308.401	2.142	70	20	DEID	
Cc1cnccc1CCNC(=O)c1cnc(C(F)(F)F)nc1	159399085	MXJTZYFFTXWOPO-UHFFFAOYSA-N	310.279	2.171	70	20	DEID	
O=C(OCC[C@H]1CCCO1)c1ccc(S(=O)(=O)F)cc1	490535778	DEBRIGKTLSKOAT-LLVKDONJSA-N	302.323	2.071	70	20	DEID	
Cc1cccc(F)c1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1337519651	DPRCSMAOEONKQR-UHFFFAOYSA-N	314.313	2.050	70	20	DEID	
CCN(CC(F)F)C(=O)CCc1ccc(S(=O)(=O)F)cc1	1337343602	DXWCUINXHQUKPI-UHFFFAOYSA-N	323.336	2.391	70	20	DEID	
CC[C@@H](C)[C@H](C)NC(=O)Cc1ccc(S(=O)(=O)F)cc1	1262734707	GCSKAEDHZJVTRK-MNOVXSKESA-N	301.383	2.438	70	20	DEID	
CS[C@H](C)CNC(=O)c1ccc(S(=O)(=O)F)cc1C	1262784263	IWBFEWIQDDFLIZ-SECBINFHSA-N	305.396	2.135	70	20	DEID	
CCN(C(=O)c1cccc(S(=O)(=O)F)c1)c1ccncc1	1262732471	ISILYIWWLVWIJP-UHFFFAOYSA-N	308.334	2.407	70	20	DEID	
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1	161337060	PNYOIZXFWJYEKL-DGAVXFQQSA-N	324.421	2.070	70	20	DEID	
COc1cc(Cl)ccc1CNC(=O)[C@@H]1CCn2ccnc2C1	161495740	VICWVEPYSGWYLT-LLVKDONJSA-N	319.792	2.424	70	20	DEID	
CC(C)[C@H](CNC(=O)[C@@H](C)c1cccs1)N1CCN(C)CC1	160054615	POSXZRSBNUCNIR-GJZGRUSLSA-N	323.506	2.240	70	20	DEID	
CNC(=O)[C@H]1CCCCN1C(=O)c1ccc(F)c(SC)c1	160123408	JPJYRJOMEBCSTG-GFCCVEGCSA-N	310.394	2.288	70	20	DEID	
C[C@@H]1CN(C(=O)c2ccnc(OCC(F)F)c2)CC(C)(C)O1	160481441	OYNJMFHMLRLGII-SNVBAGLBSA-N	314.332	2.365	70	20	DEID	
CN(C[C@@H]1CCCO1)C(=O)Nc1ccn(CC(F)(F)F)n1	160495484	PCGYGJIONQFRRW-VIFPVBQESA-N	306.288	2.088	70	20	DEID	
CC(C)NC(=O)c1ccc(C(=O)NCc2nccs2)cc1	160733154	VMYKDHZUDFHJEI-UHFFFAOYSA-N	303.387	2.211	70	20	DEID	
Cc1ccc(C[C@@H](C)NS(=O)(=O)N2CCCCC2)s1	159651496	GZMNRIKHTFCHIM-LLVKDONJSA-N	302.465	2.308	70	20	DEID	
Cc1cc(NC(=O)[C@@H]2CCN(C3CCCCC3)C2)c[nH]c1=O	159675167	RROMXCLPMPEOBL-CYBMUJFWSA-N	303.406	2.276	70	20	DEID	
CCCCNC(=O)C(=O)Nc1cc(C)ccc1-n1cc(C)cn1	159919614	PKRPCANCNICVED-UHFFFAOYSA-N	314.389	2.344	70	20	DEID	
O=C(c1ccc(Br)c(F)c1)N1CC[C@@H]2CNC[C@@H]21	218451301	LWNHRHGKFCSWCL-SKDRFNHKSA-N	313.170	2.022	70	20	DEID	
CSC[C@@](C)(O)CNC(=O)CCc1c[nH]c2ccccc12	217714982	WTRGWUDYZZKRIN-INIZCTEOSA-N	306.431	2.331	70	20	DEID	
CO[C@H]1CC[C@H](OC(=O)c2ccc(S(=O)(=O)F)cc2)C1	890422044	PRGTXSYXXYOVQS-QWRGUYRKSA-N	302.323	2.069	70	20	DEID	
C[C@H](CC(=O)NCc1csc(N(C)C)n1)c1ccncc1	161223234	RSKJRHYOBZYOKG-LLVKDONJSA-N	304.419	2.414	70	20	DEID	
Cc1nc2ccccc2cc1C(=O)NCCSCCCO	161499563	OSXTUUHASQDRRY-UHFFFAOYSA-N	304.415	2.389	70	20	DEID	
Cc1cc(CN2CCC[C@H]2C(N)=O)sc1Br	160334793	GSKBSXLWKNIRKX-VIFPVBQESA-N	303.225	2.269	70	20	DEID	
Cc1n[nH]c(NS(=O)(=O)c2ccccc2OC(F)F)c1C	160479138	DWHGBSMDNUXVRC-UHFFFAOYSA-N	317.317	2.429	70	20	DEID	
NC(=O)CCCCSc1ccc(C(=O)N2CCCC2)cn1	160985408	WGQXCPZHEAHIGN-UHFFFAOYSA-N	307.419	2.065	70	20	DEID	
c1ccc(-c2cc(N3CCOC[C@@H]3C3CC3)n3ncnc3n2)cc1	159634625	QGAAKFDOZNFXDZ-MRXNPFEDSA-N	321.384	2.407	70	20	DEID	
COc1ccccc1[C@H](C)N[C@@H](C)C(=O)NCC(F)(F)F	159838758	DKHJWCOFCNNDRR-UWVGGRQHSA-N	304.312	2.413	70	20	DEID	
CCO[C@@H]1CCC[C@H]1NC(=O)c1ccc(S(=O)(=O)F)cc1	864243893	DHEBUTDZGJTNLY-CHWSQXEVSA-N	315.366	2.032	70	20	DEID	
CO[C@@H](C(=O)Nc1ccc(F)c(CS(=O)(=O)F)c1)C(C)C	876319347	TVSUEVYICMXQGH-GFCCVEGCSA-N	321.345	2.235	70	20	DEID	
CC[C@@](C)(C#N)NC(=O)c1cc(S(=O)(=O)F)ccc1Cl	1121174094	JCKLDAFPQTTYON-LBPRGKRZSA-N	318.757	2.420	70	20	DEID	
Cc1nc([C@@H]2CCCN2c2ccc(S(=O)(=O)F)cn2)[nH]c1C	1550641739	IRLIQVAIAUHLSU-LBPRGKRZSA-N	324.381	2.421	70	20	DEID	
COCc1ccc([C@@H]2CCCN2C(=O)CCN2CCCC2=O)o1	161229014	XATZUKNKOROKBV-AWEZNQCLSA-N	320.389	2.102	70	20	DEID	
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)c2cncc(F)c2)C1	161266621	RTFWEXLQADOXHP-ZDUSSCGKSA-N	323.368	2.350	70	20	DEID	
O=C(c1cc[nH]n1)N1CCN(Cc2ccccc2Cl)CC1	161374916	WWQRPWFBLFTNJK-UHFFFAOYSA-N	304.781	2.021	70	20	DEID	
CCCc1cc(=O)n2nc(N[C@H](CO)CC(C)(C)C)sc2n1	161421785	AHVDVBYYLMZFSB-NSHDSACASA-N	324.450	2.313	70	20	DEID	
C[C@H]1CCC[C@@H](C(=O)N2CCC(CN3CCOCC3)CC2)C1	160736054	RPNFVJLDNJPEGA-DOTOQJQBSA-N	308.466	2.384	70	20	DEID	
Cn1cnc2cc(C(=O)N3CCOc4ccc(F)cc43)cnc21	160777604	PIHSVLICBSAJNP-UHFFFAOYSA-N	312.304	2.147	70	20	DEID	
C[C@@H](c1ccccc1)[C@@](C)(O)C(=O)NC[C@H](O)c1ccsc1	159518703	QDSYUZXVGCHALX-YLQAJVPDSA-N	319.426	2.452	70	20	DEID	
CCOc1ccc(S(=O)(=O)NCc2ccccc2CO)cc1	159738596	KYNJZFDUVWNCEI-UHFFFAOYSA-N	321.398	2.056	70	20	DEID	
CCN1CCCN(C(=O)N[C@@H](C)CN2C[C@@H](C)C[C@@H](C)C2)CC1	159746719	ZZTUGEDKUHXUKT-BBWFWOEESA-N	324.513	2.090	70	20	DEID	
CC(C)NC(=O)c1ccc(C(=O)N2C[C@H](C)OC[C@H]2C)cc1	159751596	VIGIBROHXWOASI-OLZOCXBDSA-N	304.390	2.074	70	20	DEID	
COc1cc(C)c(S(=O)(=O)N(C)[C@@H]2CCSC2)cc1C	159370212	BUYBDHKLBPKSMC-GFCCVEGCSA-N	315.460	2.438	70	20	DEID	
CCc1noc(CC)c1CNC(=O)N1CCCN(CC)CC1	159963901	RZFBYFMDYFWHHX-UHFFFAOYSA-N	308.426	2.037	70	20	DEID	
Cc1cccc([C@H](NC(=O)CCc2nnc[nH]2)c2ccccn2)c1	159799039	NJVXHDPCGXNFAB-SFHVURJKSA-N	321.384	2.347	70	20	DEID	
CS(=O)(=O)NCC[C@H]1CCCCN1C[C@H]1CC=CCC1	159382087	WQYXJWKNAIAWFA-LSDHHAIUSA-N	300.468	2.137	70	20	DEID	
C[C@@]1(C#N)CCCN(Cc2ccc(OS(=O)(=O)F)cc2)C1	2088595035	SCQPPZROHSHAOZ-AWEZNQCLSA-N	312.366	2.405	70	20	DEID	
O=C(c1cc(F)ccc1F)C1CCN(S(=O)(=O)F)CC1	1887579180	IDGLFAGYCUZXDY-UHFFFAOYSA-N	307.293	2.074	70	20	DEID	
CC[C@@](C)(CN)C(=O)NCCc1ccc(OC(F)F)cc1	217094307	RUEXKAUUFHZALK-HNNXBMFYSA-N	300.349	2.322	70	20	DEID	
C[C@@H]1C[C@@H](C)[C@@H](C(=O)Nc2cccc(S(=O)(=O)F)c2)O1	283603250	TWOJKQUCFUFNMJ-LNLATYFQSA-N	301.339	2.097	70	20	DEID	
COc1ccnc(C(=O)Nc2cccc(S(=O)(=O)F)c2)c1	460096183	TUGBSWHPFFYUKC-UHFFFAOYSA-N	310.306	2.001	70	20	DEID	
CO[C@H](C)CCC(=O)Nc1ccc(C)c(S(=O)(=O)F)c1	857675092	AWONTGJIEWYZQW-SNVBAGLBSA-N	303.355	2.407	70	20	DEID	
O=C(Nc1ccc(F)c(CS(=O)(=O)F)c1)[C@@H]1CCCCO1	876319274	QZSBNQJDHNBZRW-LBPRGKRZSA-N	319.329	2.133	70	20	DEID	
C[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1CS(=O)(=O)F	882036689	JJMWNQGQWHOAQD-VIFPVBQESA-N	302.327	2.383	70	20	DEID	
O=C(O)c1cccc(NC(=O)c2cccc(S(=O)(=O)F)c2)c1	1574991722	ONJPUZHKGOLDDR-UHFFFAOYSA-N	323.301	2.295	70	20	DEID	
CCNCC1CCN(C(=O)CSC[C@H]2CCCCO2)CC1	161109116	CJFGVIDUESZDHS-OAHLLOKOSA-N	314.495	2.137	70	20	DEID	
CO[C@@H]1CCCN(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)C1	161110770	AOCQQZVIMUCIJM-CQSZACIVSA-N	315.377	2.125	70	20	DEID	
CCCN(Cc1ccccc1NC(C)=O)[C@@H]1CCS(=O)(=O)C1	161111677	OCMHIPYMSMKYBD-OAHLLOKOSA-N	324.446	2.044	70	20	DEID	
CCC(CC)(CO)CNC(=O)Nc1cccc2c1OCCO2	161163618	QBDUDFHEKKKSBF-UHFFFAOYSA-N	308.378	2.378	70	20	DEID	
Cn1c(=O)n(CCC(=O)NCC2(C3CC3)CC2)c2ccccc21	160005185	INVLUUNNUHYGQC-UHFFFAOYSA-N	313.401	2.037	70	20	DEID	
CCn1ncc2c(C(=O)NCCCN)cc(-c3ccccc3)nc21	160027589	ICVNMEDHHDONBW-UHFFFAOYSA-N	323.400	2.197	70	20	DEID	
CNC(=O)[C@H](C)NC(=O)CCOc1cc(C)ccc1C(C)C	160033879	MRHPOLIUGNXOLY-ZDUSSCGKSA-N	306.406	2.138	70	20	DEID	
CC[C@@H](NC(=O)CCOC1CCOCC1)c1c(C)noc1C	160210629	VWRVKXVYWFEBDW-CQSZACIVSA-N	310.394	2.444	70	20	DEID	
Cc1noc(C)c1CSCC(=O)NCC1(CO)CCCC1	160298463	AWMSPOODVPGOCX-UHFFFAOYSA-N	312.435	2.194	70	20	DEID	
CCOCCO[C@H]1CCN(C(=O)N[C@@H](CC)c2ccncc2)C1	160309328	ZXJYSAAJKFYNKN-HOTGVXAUSA-N	321.421	2.370	70	20	DEID	
Cc1ccc(-c2nnc(NC(=O)[C@H]3COc4ccccc43)[nH]2)o1	160403552	LVQQVALCATVKKL-NSHDSACASA-N	310.313	2.488	70	20	DEID	
CN[C@H]1CCN(C(=O)COc2ccc(Cl)c3cccnc23)C1	160520250	QGWXTNMLYUWGCP-NSHDSACASA-N	319.792	2.087	70	20	DEID	
Cc1ccc([C@@H](O)CNS(=O)(=O)c2cc(F)ccc2C)cc1	159418559	QQNRQSMFUYJQSG-HNNXBMFYSA-N	323.389	2.454	70	20	DEID	
CC[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1	159648826	CFSYTUZOEQHNJR-GMTAPVOTSA-N	306.328	2.092	70	20	DEID	
COCCCCCNC(=O)Nc1ccc(C(C)(C)C(N)=O)cc1	159854401	YDHJFCRWATWMJV-UHFFFAOYSA-N	321.421	2.388	70	20	DEID	
CCCCn1ncc(NC(=O)NCCCC(=O)NC2CC2)c1C	159982051	LGLFKXKSYRQFGE-UHFFFAOYSA-N	321.425	2.172	70	20	DEID	
O=C(c1cccnc1Br)N1CCOC[C@H]1C1CC1	161353147	PSZKTTXUUDAVMU-NSHDSACASA-N	311.179	2.095	70	20	DEID	
CC(C)n1ccc(C(=O)Nc2ccc(S(=O)(=O)F)cc2)n1	460098405	ZZDNJTJMUBZEDN-UHFFFAOYSA-N	311.338	2.375	70	20	DEID	
CCCC[C@@H](OC(=O)c1ccc(S(=O)(=O)F)cc1)C(=O)O	1605252643	YIDLJMYHGPECNW-LLVKDONJSA-N	318.322	2.145	70	20	DEID	
O=C(N[C@H]1CCc2ncnn2C1)N1CCC[C@@H]1C1CCCCC1	161031101	DJEBPZZBLRXEBG-LSDHHAIUSA-N	317.437	2.347	70	20	DEID	
CCC[C@@H](C)N1C[C@H](C(=O)Nc2ccc(OC)c(N)c2)CC1=O	161240810	AAHIVVSFQJRIMR-VXGBXAGGSA-N	319.405	2.253	70	20	DEID	
C[C@@H]1CN(C)[C@H](C)C[C@@H]1NCc1ccccc1N1CCOCC1	161461544	MJYRRKQAOGLEDN-NUJGCVRESA-N	317.477	2.342	70	20	DEID	
CSCC[C@H](N)C(=O)N1CC[C@H](Cc2ccc(F)cc2)C1	160385000	SUMQOSOTYDSKIT-HIFRSBDPSA-N	310.438	2.297	70	20	DEID	
CC1=C(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)CCCO1	160537154	CPMXTZDFJFNYGR-JTQLQIEISA-N	302.330	2.429	70	20	DEID	
CC(C)C[C@@H](CO)NC(=O)c1cnc2c(cnn2CC(C)C)c1	160952753	MBAYIPXJIGNJOE-HNNXBMFYSA-N	318.421	2.224	70	20	DEID	
COC(=O)C[C@H](C)S[C@H]1CCCN(CC(F)(F)F)C1=O	159812500	AOXLFYKAAYDQCR-IUCAKERBSA-N	313.341	2.225	70	20	DEID	
CCOC(=O)CN(C)CC(=O)N[C@@H](c1ccc(C)cc1)C1CC1	159488403	SUEMBVPYUBJHAO-SFHVURJKSA-N	318.417	2.057	70	20	DEID	
Cc1cnccc1CCNC(=O)N[C@H]1CCO[C@@H](C2CC2)C1	159886112	SOANCGRJSGFXPU-JKSUJKDBSA-N	303.406	2.189	70	20	DEID	
CCC1(CNC(=O)N2CCC[C@H]2C(=O)NC2CC2)CCCC1	159906013	ZPYXZMPIRQVXOJ-AWEZNQCLSA-N	307.438	2.409	70	20	DEID	
CCc1cccc(S(=O)(=O)NC[C@@H](O)C2CCCCC2)c1	159535010	LECYMVSBNPFNRE-MRXNPFEDSA-N	311.447	2.469	70	20	DEID	
CCc1noc(CC)c1CNC(=O)N(CCN(C)C)C(C)C	159546637	VHKMVKFBLXBBRU-UHFFFAOYSA-N	310.442	2.281	70	20	DEID	
C[C@H]1OCCN(C(=O)NCc2ccnc(N3CCCC3)c2)[C@@H]1C	159368317	AJDLFAAYVWUKNO-ZIAGYGMSSA-N	318.421	2.001	70	20	DEID	
CCCCOCC(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	857674810	RCJFOYBPDYQFGP-UHFFFAOYSA-N	307.318	2.239	70	20	DEID	
CC(C)COCCOC(=O)c1cccc(S(=O)(=O)F)c1	1119683204	IHJMOAHSDPEFQH-UHFFFAOYSA-N	304.339	2.174	70	20	DEID	
CCCCN(C)S(=O)(=O)Nc1cccc(OCCF)c1	161200237	RLULGQBNKFDOJR-UHFFFAOYSA-N	304.387	2.424	70	20	DEID	
COc1cc(Cl)ccc1CNC(=O)[C@H]1CCn2ccnc2C1	161495838	VICWVEPYSGWYLT-NSHDSACASA-N	319.792	2.424	70	20	DEID	
Cc1cccc([C@H](NC(=O)[C@@H]2CCC(=O)NC2)c2ccccn2)c1	160011765	SEIKDPSQRGZBIN-QAPCUYQASA-N	323.396	2.122	70	20	DEID	
CCCCn1ncc(NC(=O)N[C@H](CO)CCSC)c1C	160197006	XPWMFSZVQMNQOJ-LBPRGKRZSA-N	314.455	2.227	70	20	DEID	
CCCN1CCC(N(C)C(=O)N[C@H]2CCO[C@H](C3CC3)C2)CC1	160239224	RXYDUACLIJLSBJ-RDJZCZTQSA-N	323.481	2.460	70	20	DEID	
CC(C)COc1ccccc1CNC(=O)C[C@H]1COC(=O)C1	160295422	BOSHMFPKLJNLQV-CYBMUJFWSA-N	305.374	2.291	70	20	DEID	
CC(C)(C)CNC(=O)c1ccc(C(=O)N2CCC[C@@H]2CN)cc1	160330350	PTUMVRJIJWHDKG-OAHLLOKOSA-N	317.433	2.026	70	20	DEID	
Cc1ccnc(-c2ccc(NC(=O)NCc3nc(C)no3)cc2)n1	160392040	GHEGBBPSGISKCJ-UHFFFAOYSA-N	324.344	2.465	70	20	DEID	
c1ccc2c(c1)OCCN2Cc1noc(C2CCOCC2)n1	160769313	PXPTXSAYNOFWLN-UHFFFAOYSA-N	301.346	2.363	70	20	DEID	
CCCCN(CCO)C(=O)c1ccc(C(=O)NC(C)C)cc1	159823984	OWDYQSOERMBRAR-UHFFFAOYSA-N	306.406	2.059	70	20	DEID	
CCN1CCCN(C(=O)c2cc(NC(C)=O)ccc2Cl)CC1	159642690	UBLCLJPKMSTVMB-UHFFFAOYSA-N	323.824	2.466	70	20	DEID	
CC(C)(C)OC(=O)NCC(=O)N[C@@H]1CCOC2(CCCC2)C1	159845225	VIMCOHNNLDVEAU-GFCCVEGCSA-N	312.410	2.119	70	20	DEID	
CCC(CC)(CNCC(=O)N[C@@H]1CCCC[C@H]1C)C(=O)OC	159670096	OXRHEWQEQDJENG-ZIAGYGMSSA-N	312.454	2.250	70	20	DEID	
CC(C)CCOCCNC(=O)Nc1ccnn1C[C@@H]1CCOC1	159521815	LMQRPICSTGJNCC-AWEZNQCLSA-N	324.425	2.104	70	20	DEID	
COC(=O)CCCc1csc(NC(=O)[C@@H]2CCO[C@H]2C)n1	159742762	QFRIDANOMXCJSN-GXSJLCMTSA-N	312.391	2.002	70	20	DEID	
Cc1cc(C(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)ncn1	159772709	OQERZZLMLGSMHA-ZDUSSCGKSA-N	314.364	2.180	70	20	DEID	
O=C(C[C@@H]1C[C@H]2CC[C@H]1O2)Nc1ccc(S(=O)(=O)F)cc1	460095543	RYABRWUWADHDNS-UFGOTCBOSA-N	313.350	2.241	70	20	DEID	
C#C[C@@H](CCC)NC(=O)CCc1ccc(S(=O)(=O)F)cc1	1337475212	QDWMYLZULHCXDX-ZDUSSCGKSA-N	311.378	2.196	70	20	DEID	
O=C(Nc1cc(F)c(F)c(F)c1)c1cc(S(=O)(=O)F)c[nH]1	1354468943	BNBOMCKGQMKSBH-UHFFFAOYSA-N	322.239	2.343	70	20	DEID	
Cc1conc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1	161160806	OKYDKMORUSXVMY-ZIAGYGMSSA-N	313.357	2.374	70	20	DEID	
CCS(=O)(=O)NCCN1c2ccccc2S[C@@H](C)[C@@H]1C	161239852	MPEGFTUIRBREJS-RYUDHWBXSA-N	314.476	2.315	70	20	DEID	
CCN(C)Cc1cccc(CNC(=O)N2CCC[C@](C)(O)C2)c1	161310875	YCLGFAHBVDGBHE-SFHVURJKSA-N	319.449	2.195	70	20	DEID	
CNC[C@H]1CCCN1C(=O)c1cnn(-c2ccccc2F)c1C	161340055	KKQCNPINMGDHKG-CYBMUJFWSA-N	316.380	2.144	70	20	DEID	
CC(C)[C@H](NC(=O)c1ccco1)C(=O)NCC1(C2CC2)CC1	160001267	GZNJNBXOXFSBRY-AWEZNQCLSA-N	304.390	2.340	70	20	DEID	
COCCC1(C(=O)N[C@H](C)c2nnc3ccccn23)CCC1	160138481	QSGXGIFYPGVQCW-GFCCVEGCSA-N	302.378	2.113	70	20	DEID	
Cc1ccc(-c2nnc(NC(=O)c3cnc4onc(C)c4c3)[nH]2)o1	160397434	VHESBQMUECZZMF-UHFFFAOYSA-N	324.300	2.470	70	20	DEID	
COC[C@@H](NCc1ccc(CN2CCOCC2)cc1)C1CC1	160637908	GJMIWGQJPHHFNX-GOSISDBHSA-N	304.434	2.033	70	20	DEID	
C[C@H](NC(=O)NC1(c2cccc(F)c2)CC1)c1nncn1C	160819811	JGUWFVLILMUPSK-JTQLQIEISA-N	303.341	2.004	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)COc1ccc(F)c(Cl)c1	160821160	WCGQHNFMUXFYGX-SECBINFHSA-N	317.744	2.316	70	20	DEID	
CC(=O)N1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2F)C1	159666271	ICPZPAGASQDOOZ-JTQLQIEISA-N	318.270	2.195	70	20	DEID	
CC(C)CN(CC(N)=O)C(=O)Cn1ccc2ccc(Cl)cc21	159690036	QINXKMYWFNUSLH-UHFFFAOYSA-N	321.808	2.265	70	20	DEID	
CCN(Cc1cccc(F)c1)C(=O)CN(C)C[C@@H]1CCC[C@@H]1O	159696465	JIRCLNUBTOEHII-RDJZCZTQSA-N	322.424	2.267	70	20	DEID	
O=C(Nc1noc2c1CCCC2)c1ccc(S(=O)(=O)F)cc1	1337723830	YNEOAGXBXCAXJL-UHFFFAOYSA-N	324.333	2.464	70	20	DEID	
Cc1cc(C[C@@H](C)NC(=O)c2cc(C(C)(C)C)nn2C)n[nH]1	161355643	MCKIENUVTJPJIB-SNVBAGLBSA-N	303.410	2.110	70	20	DEID	
COc1c(C(=O)NC[C@H]2[C@H]3c4ccccc4C[C@H]32)c(C)nn1C	161473088	ZPJRLCPODYRNSJ-LZWOXQAQSA-N	311.385	2.053	70	20	DEID	
CC(C)CCn1ccc(NC(=O)N[C@H](C)C(=O)NC(C)(C)C)n1	161482732	VLDAZTYNGFMOFC-GFCCVEGCSA-N	323.441	2.354	70	20	DEID	
COCc1nn(Cc2cccc(Br)c2C)c(=O)o1	160172376	MCZUJKSTHGGERL-UHFFFAOYSA-N	313.151	2.102	70	20	DEID	
Cc1nc2n(n1)C[C@@H](NC1CCN(C3CCCCC3)CC1)CC2	160309096	JTFAZKZPINTWFP-INIZCTEOSA-N	317.481	2.288	70	20	DEID	
CN[C@H]1CCN(C(=O)/C=C/c2cc(Br)cs2)C1	160500584	BXVAPWYMJJBSAN-PBKGFPTLSA-N	315.236	2.344	70	20	DEID	
Cc1cc(Oc2ccc(NC(=O)c3cc[nH]c(=O)c3)cc2)n[nH]1	160507645	NVQHBCNEESMWDD-UHFFFAOYSA-N	310.313	2.451	70	20	DEID	
CCc1nc(C)c([C@H](C)NCC(=O)NCC(F)(F)F)s1	160525032	TZIWAEJBSDCVNJ-ZETCQYMHSA-N	309.357	2.343	70	20	DEID	
Cc1cc(N(C)C)ccc1NC(=O)CS(=O)(=O)C(C)(C)C	160553059	FJUMDHYTZFWOEB-UHFFFAOYSA-N	312.435	2.213	70	20	DEID	
CCN(CC)C(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1	160556582	MKVYUNAZFHQZSU-UHFFFAOYSA-N	323.824	2.446	70	20	DEID	
C[C@H](N[C@H](CN1CCCC1=O)c1ccccc1)c1cnn(C)c1	160714636	UZGBXBCEWSQDJN-WMLDXEAASA-N	312.417	2.434	70	20	DEID	
CCN(Cc1cccc(NC(=O)N[C@]2(C)CCOC2)c1)C(C)=O	160719868	RJZRYIIGOPJVJT-QGZVFWFLSA-N	319.405	2.356	70	20	DEID	
C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCc2c(F)cccc2C1	160810709	JWSGUAVGIWYPRY-NSHDSACASA-N	306.381	2.261	70	20	DEID	
CC[C@@H](NS(=O)(=O)c1c[nH]cn1)c1ccc(F)cc1F	159605082	MYTZPNZJDKGRCO-LLVKDONJSA-N	301.318	2.118	70	20	DEID	
C[C@@H](O)C[C@H](CNC(=O)CC1CCOCC1)c1ccccc1	159431755	KHNQBKMDZNHIMT-RHSMWYFYSA-N	305.418	2.474	70	20	DEID	
CN(CC(=O)NCc1cccc(Cl)c1)C[C@H]1CCC[C@@H]1O	159650307	KTFYQKYUAGXVQD-HIFRSBDPSA-N	310.825	2.049	70	20	DEID	
CC(C)[C@H](C(=O)N[C@H]1CCOC2(CCCC2)C1)N1CCCC1=O	159745213	CBCBXZFFZGCPMI-GOEBONIOSA-N	322.449	2.241	70	20	DEID	
O=S(=O)(NCc1ccccc1CO)c1ccc(Cl)cc1	159762681	VCWCBXOVVWKPLB-UHFFFAOYSA-N	311.790	2.311	70	20	DEID	
CN(C(=O)Cc1ccc(C(F)(F)F)cc1)[C@@H](CN)C1CC1	159786486	AWSBMRFPMYEYNO-ZDUSSCGKSA-N	300.324	2.444	70	20	DEID	
CC(C)[C@@H](C)NC(=O)CSc1nnc(-c2ccccn2)n1C	159591130	AWTHRCUSKLKRDO-LLVKDONJSA-N	319.434	2.130	70	20	DEID	
O=C(C[C@H]1CCCOC1)Nc1ccc(S(=O)(=O)F)c(F)c1	857672837	KQBYDMAOSUDSTP-SECBINFHSA-N	319.329	2.239	70	20	DEID	
Cc1ccc2c(OS(=O)(=O)C(F)(F)F)cc(=O)oc2c1	97972244	YONVLNCHNGYBRH-UHFFFAOYSA-N	308.233	2.330	70	20	DEID	
COc1cc(F)cc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)c1	1519745673	PEUGFCYLFKXQRL-UHFFFAOYSA-N	316.285	2.073	70	20	DEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC[C@@H]1C1CCCC1	1520703127	ODFUOVUBVQYWCM-CYBMUJFWSA-N	314.382	2.468	70	20	DEID	
CC(C)Oc1ccccc1CS(=O)(=O)Cc1nccn1C	161203491	DXAGOUKXQUDIAL-UHFFFAOYSA-N	308.403	2.322	70	20	DEID	
O=C(Cc1csc(N2CCCC2=O)n1)NCC1(C2CC2)CC1	160134485	WPZPPQBKULLJKE-UHFFFAOYSA-N	319.430	2.119	70	20	DEID	
CC[C@H](C)[C@](C)(O)CNC(=O)Nc1ccn(CC(F)(F)F)n1	160477114	PCKGXZHZFBKJOT-JOYOIKCWSA-N	322.331	2.364	70	20	DEID	
Cc1c(CNC(=O)N[C@H](C)Cc2ccccc2F)cnn1C	160508595	KHWJZQYDFPWPDN-LLVKDONJSA-N	304.369	2.298	70	20	DEID	
CCOC[C@H]1CCN(C(=O)Nc2ccn(CC(F)(F)F)n2)C1	160907780	KIMYEGTUMBNHCG-JTQLQIEISA-N	320.315	2.336	70	20	DEID	
Cc1nc(COC(=O)[C@@H](C(C)C)N2CCCC2=O)c(C)s1	160998085	QFMWTXRRLVMMJD-CQSZACIVSA-N	310.419	2.450	70	20	DEID	
CCO[C@@H](CC)C(=O)Nc1cccn(CC(F)(F)F)c1=O	159620165	XUFQSJNZTJDEIN-JTQLQIEISA-N	306.284	2.164	70	20	DEID	
Cc1cc(NC(=O)CCc2nnc(C3CCCC3)o2)c[nH]c1=O	159837317	NSJYOTCNHMMAQG-UHFFFAOYSA-N	316.361	2.295	70	20	DEID	
C[C@H](CNC(=O)NCc1ncccc1F)CN1CCCCC1	159686140	NQPCVFLGDRMFLG-CYBMUJFWSA-N	308.401	2.142	70	20	DEID	
Cc1nc(O)ccc1C(=O)Nc1nnc(C(F)(F)F)s1	159365470	GQTDIGCTQZONPF-UHFFFAOYSA-N	304.253	2.218	70	20	DEID	
CN(C(=O)NCCc1cscn1)[C@H]1CCCc2c1cnn2C	159766143	UUXGMXPUUHZROU-ZDUSSCGKSA-N	319.434	2.138	70	20	DEID	
Cc1cc(N[C@H]2CCCN(c3cccc(F)c3)C2=O)nn1C	159577265	LZPAYHJZXCNWAO-AWEZNQCLSA-N	302.353	2.475	70	20	DEID	
O=C(N[C@H]1CCOC2(CCCC2)C1)[C@H]1CCc2cn[nH]c2C1	159773782	HBVWIUZDLUVTJT-JSGCOSHPSA-N	303.406	2.123	70	20	DEID	
CC(C)N1C[C@@H](NC(=O)Nc2ccc(F)c(F)c2F)CC1=O	217289097	YZKLVGMMKDFZPS-QMMMGPOBSA-N	315.295	2.235	70	20	DEID	
O=C(C[C@@H]1CCCOC1)Nc1cccc(S(=O)(=O)F)c1	796953815	NDEKVRMFGOSYMH-JTQLQIEISA-N	301.339	2.100	70	20	DEID	
CO[C@H]1C[C@@H](N(C)c2ccc(S(=O)(=O)F)cn2)C12CCC2	1550625325	CFFAYTXZWGXXMP-NEPJUHHUSA-N	314.382	2.134	70	20	DEID	
C[C@@H](N)C(=O)Nc1ccccc1CN(C)C(=O)c1cccs1	161211252	IGBAPJXQQREFDR-LLVKDONJSA-N	317.414	2.306	70	20	DEID	
CN(C)Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccn3)C2)cc1	161231817	UQDPYCRTXRBAAI-QGZVFWFLSA-N	324.428	2.152	70	20	DEID	
Cc1ccccc1[C@@H](CC(=O)NCC1(C2CC2)CC1)NC(N)=O	160192518	LSKKQDYMJXOPJH-OAHLLOKOSA-N	315.417	2.401	70	20	DEID	
CCN(CC)CCNC(=O)Nc1ccc(O[C@H]2CCOC2)cc1	160351787	MJUYRTJOYPKVCD-INIZCTEOSA-N	321.421	2.318	70	20	DEID	
O=C(NC[C@H]1CCCO1)Nc1ccc(O[C@@H]2CCOC2)cc1	160383720	MQYMRYZLEHJOBP-HUUCEWRRSA-N	306.362	2.155	70	20	DEID	
CC(C)CCn1ccc(NC(=O)N[C@H]2CCN(C(C)C)C2=O)n1	160445220	MERNIXVQDLDLHA-ZDUSSCGKSA-N	321.425	2.060	70	20	DEID	
CCc1n[nH]c(=O)c(CNC(=O)N(CC)C2CCCC2)c1CC	160479804	ICUZXJOLYQLABQ-UHFFFAOYSA-N	320.437	2.369	70	20	DEID	
COC(=O)c1csc(NC(=O)N[C@H]2CCN(CC3CC3)C2)c1	160654712	PBXDYEWMOXBZBZ-LBPRGKRZSA-N	323.418	2.141	70	20	DEID	
CC(C)NC1CCN(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1	160959337	QXQPZHXGSHGWGI-XHSDSOJGSA-N	321.465	2.116	70	20	DEID	
CC(C)[C@@H](C(=O)NC[C@H](C[C@@H](C)O)c1ccccc1)N(C)C	159516578	VHDMBQWKKBMUCA-PVAVHDDUSA-N	306.450	2.244	70	20	DEID	
COc1ccc(N(C)C(=O)C2CCN(C(C)=O)CC2)cc1F	159730167	PUOUEHQTUMSXBX-UHFFFAOYSA-N	308.353	2.056	70	20	DEID	
O=C1CCc2cc(C(=O)N[C@H]3CCC[C@@H]4OCC[C@H]34)ccc2N1	159789748	IRNZRYLIWPVNPI-KBMXLJTQSA-N	314.385	2.259	70	20	DEID	
CCc1n[nH]c(NC(=O)CO[C@H](C)CC)c1Br	159792494	DRNDECJWUINTJI-SSDOTTSWSA-N	304.188	2.488	70	20	DEID	
O=C(Cc1ccc(F)cn1)Nc1ccc(S(=O)(=O)F)cc1	864238885	RWVKZLHMQYGJOJ-UHFFFAOYSA-N	312.297	2.060	70	20	DEID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N[C@H](C#N)CC(C)C	1517876773	LFJMLYTXJQLXMT-NSHDSACASA-N	312.366	2.321	70	20	DEID	
C[C@H]1CC2(CCOCC2)CN1c1ccc(S(=O)(=O)F)cn1	1550626930	FINFLLZMVOTTBU-NSHDSACASA-N	314.382	2.135	70	20	DEID	
Cn1ccc(CNCC2CCN(C(=O)OC(C)(C)C)CC2)n1	218174298	SLLDBZUOMQCMDJ-UHFFFAOYSA-N	308.426	2.157	70	20	DEID	
CCN(Cc1cnn(C)c1)C[C@@H](O)COc1cc(C)ccc1C	161135622	YWQDYECRTYKTLC-QGZVFWFLSA-N	317.433	2.299	70	20	DEID	
CN(C[C@H]1CCC[C@H]1O)C(=O)NCCc1ccc(F)cc1F	161192606	VXZXZSMITJECPO-IUODEOHRSA-N	312.360	2.310	70	20	DEID	
C[C@H]1[C@@H](C)Sc2ccccc2N1CCCN1C(=O)CNC1=O	161260611	HJSOKROTJDVKDU-NWDGAFQWSA-N	319.430	2.318	70	20	DEID	
C[C@@H]1OCCN(C(=O)NCCCOCCc2ccccc2)[C@H]1C	161472566	YJOPKNLGNFNEJA-HOTGVXAUSA-N	320.433	2.455	70	20	DEID	
CCCCn1ncc(NC(=O)N[C@H](CCO)CSC)c1C	160092599	VGUHZLMEVPVFIB-GFCCVEGCSA-N	314.455	2.227	70	20	DEID	
CCCCn1ncc(NC(=O)N2CCC[C@H]2C(=O)N(C)C)c1C	160158267	WKJZAAIVOZTQHC-AWEZNQCLSA-N	321.425	2.076	70	20	DEID	
CCOCCCN1CCN(C(=O)c2ccc(F)cc2F)CC1	160317569	JVZHGRWQWJOJCG-UHFFFAOYSA-N	312.360	2.149	70	20	DEID	
C[C@H](NCc1ccccc1CN1CCOCC1)[C@@H]1CCOC1	160436052	POQXHSCCTREMGC-MAUKXSAKSA-N	304.434	2.033	70	20	DEID	
CCOC(=O)CCN(C)[C@H](C)c1ccc(-n2cncn2)cc1	160707976	KAMFZXFDNJKCEF-CYBMUJFWSA-N	302.378	2.213	70	20	DEID	
CS(=O)(=O)Cc1ccc(NC(=O)c2ccccn2)cc1F	160775723	KTVPOTQISXKGMV-UHFFFAOYSA-N	308.334	2.018	70	20	DEID	
CC(C)(C)S(=O)(=O)CC(=O)N1CCCc2cc(F)ccc21	160946323	QNCHAFGFYQTCHX-UHFFFAOYSA-N	313.394	2.318	70	20	DEID	
C[C@H]1CCCC[C@H]1NC(=O)CCCNC(=O)c1cccnc1	159637568	WPTMJUHDAQJTJQ-DZGCQCFKSA-N	303.406	2.287	70	20	DEID	
CCCOc1cccc(CCNC(=O)c2cc[nH]c(=O)c2)c1	159727971	ALSBOGUMHQGHJJ-UHFFFAOYSA-N	300.358	2.136	70	20	DEID	
O=c1cc(CSCCN2CCOCC2)c2ccc(O)cc2o1	159921354	OATZFKGQBYGWEC-UHFFFAOYSA-N	321.398	2.064	70	20	DEID	
COC(=O)CCCc1csc(NC(=O)[C@@H]2CCO[C@@H]2C)n1	159742640	QFRIDANOMXCJSN-MWLCHTKSSA-N	312.391	2.002	70	20	DEID	
CCC1(CC)[C@@H](OC)C[C@H]1NC(=O)NCc1cccnc1OC	159563079	BGWJCFYPRJYFLX-KGLIPLIRSA-N	321.421	2.483	70	20	DEID	
COc1ccc(S(=O)(=O)N(C)[C@@H]2CCSC2)c(C)c1	159387332	QVAXWVGAUKKCCQ-LLVKDONJSA-N	301.433	2.130	70	20	DEID	
CCN(CCO)C(=O)NCCc1cccc(Br)c1	217488706	VABMOUYCFSPXSM-UHFFFAOYSA-N	315.211	2.015	70	20	DEID	
C[C@@H]1CC(=O)CC[C@H]1C(=O)Nc1ccc(S(=O)(=O)F)cc1	185107069	YHMVXWDVZBIOAF-NOZJJQNGSA-N	313.350	2.289	70	20	DEID	
COC(C)(C)C[C@H](C)NC(=O)c1cccc(S(=O)(=O)F)c1	1337519752	HQKGZZZBFZQSRT-JTQLQIEISA-N	317.382	2.278	70	20	DEID	
COCCC[C@H](NCCO)c1ccc(Br)cc1	159691361	WRAHFSHSVCFRCD-ZDUSSCGKSA-N	302.212	2.499	70	20	DEID	
CC(C)OCCCNC(=O)N[C@H](C)c1ccc(NC(N)=O)cc1	161022719	OOJDTOIPIGNBTL-GFCCVEGCSA-N	322.409	2.353	70	20	DEID	
Cc1cccc2[nH]c(CNC(=O)c3cnc4c(c3)ncn4C)nc12	161039455	LAINTHHTDYVWKG-UHFFFAOYSA-N	320.356	2.083	70	20	DEID	
CCOCCN(CC)C(=O)Nc1ccc(-c2ncn(C)n2)cc1	161163877	NFMULVFXTABAGZ-UHFFFAOYSA-N	317.393	2.372	70	20	DEID	
O=C(C[C@@H]1CSCCS1)N1CCC[C@@H](c2ccn[nH]2)C1	161507947	NKJRBSXWTWSSGV-VXGBXAGGSA-N	311.476	2.354	70	20	DEID	
Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)NCC(C)(C)N	160027966	ZWBGXCMSUPJITQ-UHFFFAOYSA-N	306.797	2.301	70	20	DEID	
COc1ccc(CC(=O)NCCc2cccc(O)c2)cc1F	160154938	LBSOQRREOUIVQA-UHFFFAOYSA-N	303.333	2.441	70	20	DEID	
COc1ccccc1[C@H](C)NCCN1CCC(N(C)C)CC1	160203413	SJWLMNIWCSNWPR-HNNXBMFYSA-N	305.466	2.372	70	20	DEID	
Cc1noc(C)c1C[C@H](C)NC(=O)[C@@H]1NCCc2ccccc21	160224897	SAWKJRBPDADZLF-APPDUMDISA-N	313.401	2.226	70	20	DEID	
CCc1n[nH]c(=O)c(CNC(=O)N2CCC[C@H](CC)C2)c1CC	160292508	YREIKNBAYWGBMP-LBPRGKRZSA-N	320.437	2.226	70	20	DEID	
CC[C@H](COC)NS(=O)(=O)c1cc(C)c(OC)c(C)c1	160292732	SRNJGEINUKSARC-GFCCVEGCSA-N	301.408	2.015	70	20	DEID	
CC(C)COc1ccccc1CNC(=O)C[C@@H]1COC(=O)C1	160295536	BOSHMFPKLJNLQV-ZDUSSCGKSA-N	305.374	2.291	70	20	DEID	
CC[C@@H](C)N(C)C(=O)C(=O)Nc1cnn(-c2ccccc2)c1C	160632771	MVDOJZLWOSHLSJ-GFCCVEGCSA-N	314.389	2.376	70	20	DEID	
COC(=O)c1cc(C(=O)NCCCSCC(C)C)ccn1	160737833	SYMWBEVLFPSODK-UHFFFAOYSA-N	310.419	2.377	70	20	DEID	
Cc1onc(-c2ccccn2)c1C(=O)N[C@H](C)[C@H]1CCOC1	160958203	WNMGEIZZLOJGPB-PWSUYJOCSA-N	301.346	2.200	70	20	DEID	
CC[C@@H](O)CCNC(=O)NCCc1ccc(OC(C)C)cc1	160960103	DGXMHNRINHWNFS-OAHLLOKOSA-N	308.422	2.477	70	20	DEID	
CC(C)C[C@H](CO)NC(=O)NC[C@@H]1CCCCN1CC(C)C	160962152	MYKDFFFIJKBRBE-CVEARBPZSA-N	313.486	2.203	70	20	DEID	
C[C@@H](CC(=O)N(CCN(C)C)C[C@H]1CCCO1)c1ccncc1	159617443	SEUMOIYMFONMNT-DOTOQJQBSA-N	319.449	2.144	70	20	DEID	
CN(CC(C)(C)CN1CCOCC1)C(=O)c1cc(Cl)c[nH]1	159664774	SSVSYMSNSCZSCB-UHFFFAOYSA-N	313.829	2.099	70	20	DEID	
CC(C)[C@H](Cc1ccccc1)C(=O)N[C@H](C)CN1CCOCC1	159910751	ATEPQMOANITKFZ-AEFFLSMTSA-N	318.461	2.338	70	20	DEID	
COc1ccc(CC[C@]2(C)NC(=O)N(CC(F)F)C2=O)cc1	159528879	KGBTZIHDZUTERL-HNNXBMFYSA-N	312.316	2.203	70	20	DEID	
Cc1n[nH]c(C)c1NC(=O)c1cc2c(cc1F)NC(=O)CC2	159958501	QLUJWPHXFQQYNE-UHFFFAOYSA-N	302.309	2.303	70	20	DEID	
C[C@H](Nc1ccc(S(C)(=O)=O)cc1)C(=O)N1CCCC[C@@H]1C	159373624	CXEUHWNMNPQWDM-STQMWFEESA-N	324.446	2.292	70	20	DEID	
CO[C@H](CNC(=O)C(=O)NC1CCCC1)c1ccccc1Cl	218343625	VMMZKNIZMWOHBY-CQSZACIVSA-N	324.808	2.203	70	20	DEID	
CCOC(C)(C)C(=O)Nc1ccc(F)c(CS(=O)(=O)F)c1	876319548	BSFNNFKJBADXGD-UHFFFAOYSA-N	321.345	2.379	70	20	DEID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N1C[C@H]2[C@@H](C1)C2(C)C	1354770241	CKRTXUIJTHFAMU-BETUJISGSA-N	311.378	2.381	70	20	DEID	
CC(C)[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H]1C(C)C	1521437294	CZECNXJBRJEWJF-DGCLKSJQSA-N	316.398	2.426	70	20	DEID	
C[C@@H](NC(=O)c1ccoc1)C(=O)N1CCc2c(F)cccc2C1	161028221	UVMHBIQTBVGERV-LLVKDONJSA-N	316.332	2.122	70	20	DEID	
CC[C@@H](C(=O)N[C@H](C)CS(=O)(=O)CC)c1ccc(F)cc1	160011344	IVHLRTXAHDYENH-BXUZGUMPSA-N	315.410	2.259	70	20	DEID	
Cc1ccc(NC(=O)C(=O)NCCn2cccc2)cc1Cl	160193531	STAUBDZDINJZOA-UHFFFAOYSA-N	305.765	2.205	70	20	DEID	
CN(CC1(O)CCCC1)C(=O)Nc1ccc(-n2nccn2)cc1	160442885	KIFOVGHWATWVOG-UHFFFAOYSA-N	315.377	2.036	70	20	DEID	
CC(C)[C@H](CCO)NC(=O)C[C@@H]1Sc2ccccc2NC1=O	160587963	BZIHQWHGIKTPLV-FZMZJTMJSA-N	322.430	2.013	70	20	DEID	
O=C(CCc1ncc(-c2ccccc2F)o1)N1CCCNCC1	160846293	MIANVFLUNLIORC-UHFFFAOYSA-N	317.364	2.235	70	20	DEID	
CC(C)(N)C(=O)NCCCc1ccc(Br)cc1F	160883762	QQJYSXLMECQVDF-UHFFFAOYSA-N	317.202	2.374	70	20	DEID	
CC[C@@H](O)CCNC(=O)NCc1cccnc1OC1CCCC1	160961898	LPYLXVSJNZQHHH-CQSZACIVSA-N	321.421	2.363	70	20	DEID	
CNC(=O)COc1cccc(CC(=O)N[C@H]2CCCC[C@@H]2C)c1	159635661	UKGSDTVQRJUABM-BBRMVZONSA-N	318.417	2.049	70	20	DEID	
CCCCn1ncc(NC(=O)N[C@H]2CCCC[C@H]2C(N)=O)c1C	159851917	XVYBPZPUIFLNPV-OLZOCXBDSA-N	321.425	2.157	70	20	DEID	
CCc1nc([C@H](C)NC(=O)NC[C@@](C)(O)CSC)cs1	159667959	GIJHQURYQVCGCZ-TVQRCGJNSA-N	317.480	2.180	70	20	DEID	
C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N1C[C@@H]2CCC[C@H](C1)N2	159722762	NFHVNTFRNAQZRW-UTUOFQBUSA-N	310.344	2.085	70	20	DEID	
CCC[C@H](CCO)CNC(=O)[C@@](C)(O)[C@@H](C)c1ccccc1	159361854	GPVRHDLLYNNLFC-DAYGRLMNSA-N	307.434	2.456	70	20	DEID	
CC(C)COCCOC(=O)c1ccc(S(=O)(=O)F)cc1	490537492	UIKZVZBERSDLSN-UHFFFAOYSA-N	304.339	2.174	70	20	DEID	
CCOC(C)(C)C(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	875831560	HUSHASFPQOCASH-UHFFFAOYSA-N	307.318	2.238	70	20	DEID	
CC[C@H](C)OCC(=O)Nc1cccc(CN2CCN(C)CC2)c1	161039768	GOHUHAYDPVDLJN-HNNXBMFYSA-N	319.449	2.188	70	20	DEID	
CNC(=O)c1ccc(NC(=O)N[C@@H]2CCOC(C)(C)C2)cc1	161290404	AVZFTEDCUJSPJI-CYBMUJFWSA-N	305.378	2.125	70	20	DEID	
CCOCCC1(CNC(=O)C(=O)Nc2ccccc2)CCC1	161371837	HDEXLKVJGVLZIP-UHFFFAOYSA-N	304.390	2.338	70	20	DEID	
c1cnc(-n2cccn2)c(CNC2CCC3(CC2)OCCO3)c1	161452460	JSTGKIIKIYQOJO-UHFFFAOYSA-N	314.389	2.043	70	20	DEID	
CC(C)CCC(=O)NCC(=O)N[C@@H]1CCOC2(CCCC2)C1	160131718	APQQUPFQXWONJK-CQSZACIVSA-N	310.438	2.147	70	20	DEID	
O=C1CC[C@H]2CN(C(=O)c3cc(Cl)ccc3F)CC[C@@H]2N1	160176026	UCJMQSZZLRYUFQ-ZANVPECISA-N	310.756	2.220	70	20	DEID	
CCc1nnsc1C(=O)Nc1nnc(-c2ccc(C)o2)[nH]1	160199837	UUVHAGUUIBUETO-UHFFFAOYSA-N	304.335	2.039	70	20	DEID	
CC(C)CONC(=O)Nc1cccc(N2CCCNC2=O)c1	160615460	SXUQDMWQOVBTAZ-UHFFFAOYSA-N	306.366	2.315	70	20	DEID	
CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)Nc2cccc(F)n2)C1	160618768	OTZFZFVKFJMRLR-NEPJUHHUSA-N	307.369	2.444	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)c1cnn(-c2ccccc2F)c1	160624388	ASDHGZBZSOMLLS-LLVKDONJSA-N	319.336	2.083	70	20	DEID	
O=C1[C@@H]2CCCN2C(=O)N1Cc1noc(C2CCCCC2)n1	160649544	OECWUPTTWAIGPQ-NSHDSACASA-N	304.350	2.044	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)Cc1ccccc1OC(F)F	160784114	RUYZUOYVDCGWRJ-JTQLQIEISA-N	315.316	2.288	70	20	DEID	
CCN1CCCN(C(=O)NC[C@@H]2CCc3ccccc32)CC1	159845548	YCOIQCQWSGGEIY-INIZCTEOSA-N	301.434	2.454	70	20	DEID	
Cc1ccccc1CN(C)C(=O)[C@H](C)N(C)C[C@@H]1CCC[C@@H]1O	159651801	SDGAKBOVMCPADF-SZMVWBNQSA-N	318.461	2.435	70	20	DEID	
CN(C)c1ccc(C(=O)N2CCN(CC3CC3)CC2)c(F)c1	159528958	AFZTVTYXNNHHMS-UHFFFAOYSA-N	305.397	2.060	70	20	DEID	
CCCCOCCNC(=O)CN1CCC[C@@H]1c1cccc(C)n1	159736572	YGXFONLHBDAYHQ-QGZVFWFLSA-N	319.449	2.460	70	20	DEID	
CCOc1ncccc1C(=O)Nc1cccc(S(=O)(=O)F)c1	460098285	ZETXAJJDDXARDT-UHFFFAOYSA-N	324.333	2.391	70	20	DEID	
CC[C@@H]1CC[C@@H](C(=O)Nc2ccc(S(=O)(=O)F)c(F)c2)O1	857674982	WYAOFTPABZXVHV-KOLCDFICSA-N	319.329	2.380	70	20	DEID	
C[C@@H](O)C[C@@H]1CCCCCN1c1ccc(S(=O)(=O)F)cn1	1550621741	CGAAICXQRKWEHX-NEPJUHHUSA-N	316.398	2.260	70	20	DEID	
CN(C)C1(CN[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CCC1	218761924	UJVBXJPZPAQMGZ-CQSZACIVSA-N	311.470	2.460	70	20	DEID	
CCNC(=O)NC(=O)[C@@H](C)N[C@H](CC)c1ccc(F)cc1F	161009111	GSRHXLVGQSSBQU-NOZJJQNGSA-N	313.348	2.240	70	20	DEID	
CC(C)OC(=O)c1ccn(CCCOCC(F)(F)F)c(=O)c1	161017892	QYEDJVFDRBKPJG-UHFFFAOYSA-N	321.295	2.383	70	20	DEID	
CCNCC1CCN(C(=O)c2ccc(-c3ncon3)cc2)CC1	161107476	WIHYFYMWLORAJS-UHFFFAOYSA-N	314.389	2.198	70	20	DEID	
C[C@H](CCC(=O)NCCN1C(=O)CCCC1=O)c1ccccc1	161127260	LLSUIRDVKZHLFB-CQSZACIVSA-N	316.401	2.226	70	20	DEID	
CCc1ccc(S(=O)(=O)NC[C@@H](O)c2cccc(F)c2)cc1	160046726	JCXDXRZSWBMSJP-MRXNPFEDSA-N	323.389	2.400	70	20	DEID	
CCn1ccnc(NC[C@@](C)(O)c2ccccc2Cl)c1=O	160165828	MXEDTKWGNRWDCV-OAHLLOKOSA-N	307.781	2.236	70	20	DEID	
CCOC(=O)[C@H](CC)Sc1nc(C(C)C)nc(N(C)C)n1	160285288	PCFAFFSUHMESDO-JTQLQIEISA-N	312.439	2.495	70	20	DEID	
CC[C@](C)(O)CNS(=O)(=O)c1ccc(-c2coc(C)n2)cc1	160291507	NOTNZQJQPFXVRB-HNNXBMFYSA-N	324.402	2.089	70	20	DEID	
COc1ccccc1CN1CCN(CCOCC2CC2)CC1	160436957	QAPLUWZXKOHZBR-UHFFFAOYSA-N	304.434	2.239	70	20	DEID	
CCN(C)C(=O)c1cccc(C(=O)NCC(N)(CC)CC)c1	160557210	LPBZRHWPYRIQOZ-UHFFFAOYSA-N	305.422	2.026	70	20	DEID	
Cc1ccccc1[C@H](C)CC(=O)NC[C@@H](O)CN1CCCCC1	160582857	ALBJFBFFAUMBTA-IAGOWNOFSA-N	318.461	2.452	70	20	DEID	
CC(C)(C)S(=O)(=O)CC(=O)Nc1cccc(OC(F)F)c1	160668809	OOPIBEKZQOLKOR-UHFFFAOYSA-N	321.345	2.440	70	20	DEID	
CCCCNC(=O)[C@H]1CCCN(CCCN2CCCCC2)C1	160746137	ZPFSGWNGVUQSLS-KRWDZBQOSA-N	309.498	2.491	70	20	DEID	
C[C@H]1CC[C@@H](NC(=O)c2cc(C(N)=O)cn2C)c2ccccc21	159609975	DYNSXHIPXIPBCG-XHDPSFHLSA-N	311.385	2.492	70	20	DEID	
Cc1ccc2c(c1)[C@H](NC(=O)N(CCN(C)C)C(C)C)CO2	159715065	ZAOSONRVWAVJSA-OAHLLOKOSA-N	305.422	2.410	70	20	DEID	
CC(C)N(CCc1nccs1)CC(=O)Nc1ccncc1	159742847	CITQXOHSQUJUMT-UHFFFAOYSA-N	304.419	2.430	70	20	DEID	
COc1ccc(-c2noc(CN(C)C[C@H]3CCC[C@@H]3O)n2)cc1	159797283	NTKINFIWRHMCOS-HIFRSBDPSA-N	317.389	2.338	70	20	DEID	
CN(Cc1ccccn1)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2	161036776	UNEPROISXUVMER-KFWWJZLASA-N	301.390	2.181	70	20	DEID	
CCC[C@@H](C)CC(=O)N[C@@H]1CCN(C(=O)c2ccccn2)C1	160149598	VWFIWFOQTGBWRZ-ZIAGYGMSSA-N	303.406	2.239	70	20	DEID	
CCCCN1CCc2ccc(NS(=O)(=O)c3c[nH]cn3)cc21	160198477	DIYQUDVOOBSEPH-UHFFFAOYSA-N	320.418	2.373	70	20	DEID	
Cc1cc(CNC(=O)Nc2ccn(CC(F)(F)F)n2)on1	160368719	ZEYSUWMBUYHFKJ-UHFFFAOYSA-N	303.244	2.064	70	20	DEID	
NC(=O)c1c(NC(=O)[C@@H]2CCCCO2)sc2c1CCCC2	159653564	FMJRNXLQJBXOJV-JTQLQIEISA-N	308.403	2.233	70	20	DEID	
COc1cc(/C=C/C(=O)NCC2(N)CCCCC2)cc(OC)c1	159654835	AQWDSJFKVNSYIJ-VOTSOKGWSA-N	318.417	2.495	70	20	DEID	
CO[C@@H]1CCC[C@H]1NC(=O)NCc1cnn(-c2ccccc2)c1	159692560	QWLFQOGBVYLRLY-HZPDHXFCSA-N	314.389	2.239	70	20	DEID	
CN(C)[C@@H]1CCC[C@H](NC2CCN(CC(F)(F)F)CC2)C1	161021842	CYCFWKFBELUSQA-UONOGXRCSA-N	307.404	2.476	70	20	DEID	
c1cc(CNC2CCC3(CC2)OCCO3)cc(N2CCCC2)n1	161022261	OMPIOYZWCVGAME-UHFFFAOYSA-N	317.433	2.457	70	20	DEID	
CCN(CC(=O)N[C@@H](C)c1cccs1)Cc1cnn(C)c1	161089725	JUXOWWPFIAMBKW-LBPRGKRZSA-N	306.435	2.181	70	20	DEID	
O=C(NCCc1c[nH]c2ccccc12)NO[C@@H]1CCCCO1	161147066	VFRFLODYRBBDOQ-OAHLLOKOSA-N	303.362	2.468	70	20	DEID	
CC(=O)N1CCN(C(=O)CSCc2c(C)cccc2C)CC1	161383793	NNKNHTUWIWHHNL-UHFFFAOYSA-N	320.458	2.227	70	20	DEID	
C[C@]1(O)CCCN(C(=O)N[C@@H]2CCCOc3ccccc32)C1	161452703	CPIWXEMAKNRBRL-PBHICJAKSA-N	304.390	2.457	70	20	DEID	
C[C@H](CC(=O)N1C[C@@H]2CCC[C@H](C1)N2)C(=O)c1cccc(F)c1	160186364	OUQWKFQIOIGHIB-WQVCFCJDSA-N	318.392	2.388	70	20	DEID	
Cc1ccc(C(=O)NC2CCN([C@@H]3CCCC[C@@H]3O)CC2)o1	160239955	SLHHPGUCWVSZFO-CABCVRRESA-N	306.406	2.086	70	20	DEID	
CC(C)n1nccc1C(=O)N(CCC1CCCCC1)CC(N)=O	160347119	YUIJWYOAALJFBB-UHFFFAOYSA-N	320.437	2.362	70	20	DEID	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)Nc2cn[nH]c2)C1	160394340	XQDPMIFMFYOJJF-WDEREUQCSA-N	308.382	2.432	70	20	DEID	
COC(=O)CCCC(=O)O[C@@H](C)c1cn(-c2ccccc2)nn1	160644958	ZRXOHLFSKPHFSV-LBPRGKRZSA-N	317.345	2.215	70	20	DEID	
O=C(CC/C=C/c1ccccc1)NCC1CCN(CCO)CC1	160660032	VQBXKQFUPCJVNE-XBXARRHUSA-N	316.445	2.301	70	20	DEID	
CCCOc1ccc(OCC(=O)NOCc2cccnc2)cc1	160783784	VLBYPJGVQPANFT-UHFFFAOYSA-N	316.357	2.497	70	20	DEID	
CCNC(=O)c1ccc(NC(=O)NCc2ncccc2F)cc1	160783902	QKXMFOBPPJFPQK-UHFFFAOYSA-N	316.336	2.292	70	20	DEID	
CC(=O)N1CC[C@@H](NC(=O)CSc2cc(C)ccc2C)C1	159602057	KQLAYMIQHHDMFC-CQSZACIVSA-N	306.431	2.133	70	20	DEID	
N[C@H]1CCC[C@@H](NC(=O)Cc2cccc(Br)c2)C1	160885080	OIWPCEVIQJHKHY-QWHCGFSZSA-N	311.223	2.378	70	20	DEID	
C[C@@H](Oc1cccnc1)C(=O)Nc1cccc(S(=O)(=O)F)c1	460088651	CUNUAESDGZLQJA-SNVBAGLBSA-N	324.333	2.146	70	20	DEID	
O=C(Nc1ccc2nccn2c1)c1ccc(S(=O)(=O)F)cc1	864243740	VDCLEAIIUDFCDK-UHFFFAOYSA-N	319.317	2.245	70	20	DEID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccsc2)cc1	170594902	PKMNBKDCUQCLGB-UHFFFAOYSA-N	321.376	2.207	70	20	DEID	
O=C(N[C@H]1C=CCC1)c1cc(S(=O)(=O)F)ccc1Cl	1337478828	HKPRZMWVVPISPB-QMMMGPOBSA-N	303.742	2.447	70	20	DEID	
CN(CCC(F)(F)F)C(=O)c1ccc(S(=O)(=O)F)cc1	1333481539	BFTHJRUDCGVPCB-UHFFFAOYSA-N	313.272	2.369	70	20	DEID	
O=C(Cc1ccc(S(=O)(=O)F)cc1)NC[C@@H]1C[C@H]2C=C[C@H]1C2	1262817553	HTZDFRODWIKJLO-IHRRRGAJSA-N	323.389	2.216	70	20	DEID	
O=C(NCc1cc2ccccc2o1)c1cc(S(=O)(=O)F)c[nH]1	1354032285	TXJDKBVMFZDKAS-UHFFFAOYSA-N	322.317	2.349	70	20	DEID	
Cc1csc(CS(=O)(=O)CCc2c(C)noc2C)n1	159680868	FIDBPZMYXJKFHY-UHFFFAOYSA-N	300.405	2.214	70	20	DEID	
CSc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](CO)CC2)cc1	161369562	BJAZCQKRYXCLAO-HAQNSBGRSA-N	315.460	2.238	70	20	DEID	
Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)on1	161436029	JZSDTQWCTXUFET-NSHDSACASA-N	309.366	2.064	70	20	DEID	
CN(C[C@H]1CCC[C@@H]1O)C(=O)NCCc1cc(F)cc(F)c1	160364303	UAPOGEPPNGBECA-DOMZBBRYSA-N	312.360	2.310	70	20	DEID	
Cc1cccc(C(=O)N2CCC3(CC2)CNC(=O)C3)c1Cl	160385010	UKQVSPJCIWKIRU-UHFFFAOYSA-N	306.793	2.391	70	20	DEID	
CCN(CC)S(=O)(=O)N1CC[C@H](c2ccccc2OC)C1	160553265	CQRDHFXOLYVNGP-ZDUSSCGKSA-N	312.435	2.071	70	20	DEID	
O=C(CNC(=O)C1(Cc2ccccc2)CCC1)N1CCCC1	160565923	MBRKTPRFXDXRDV-UHFFFAOYSA-N	300.402	2.138	70	20	DEID	
O=C(N[C@H]1CCN(CC2CC2)C1)N1CCCC[C@H]1c1ncc[nH]1	160650094	SODJZQUEMYJXFY-GJZGRUSLSA-N	317.437	2.131	70	20	DEID	
CC(C)Cn1ncc2cc(C(=O)N[C@H]3CCC[C@H](N)C3)cnc21	160764512	JBFMCFYITGQMAW-GJZGRUSLSA-N	315.421	2.087	70	20	DEID	
COC(=O)c1cc(NC(=O)N[C@]2(C)CCOC2)c(F)cc1F	160929067	ODIWXDXCHFKDIG-CQSZACIVSA-N	314.288	2.052	70	20	DEID	
COC(=O)CCNC(=O)c1cnn(-c2cc(C)ccc2C)c1C	160959060	DWRYWDHICCCYTF-UHFFFAOYSA-N	315.373	2.090	70	20	DEID	
COc1ccc(CNC(=O)c2cnc3c(c2)ncn3C)cc1F	159691058	GAMYGPFOJPPSTH-UHFFFAOYSA-N	314.320	2.046	70	20	DEID	
CCO[C@H]1C[C@H](NC(=O)N2CCCN(CC)CC2)C12CCCC2	159928425	VVNPNKLEPABSSN-HOTGVXAUSA-N	323.481	2.461	70	20	DEID	
CNC(=O)[C@@H]1CCCN1C(=O)N[C@H](C)c1ccc(C)c(F)c1	159738205	OFNLRYYUTIXZPJ-RISCZKNCSA-N	307.369	2.115	70	20	DEID	
CC(C)NC(=O)CN[C@@H](C)c1cnn(Cc2ccccc2)c1	160983371	KFLDVGFITPQJQI-AWEZNQCLSA-N	300.406	2.107	70	20	DEID	
CO[C@@](C)(C(=O)Nc1cccc(S(=O)(=O)F)c1)C1CC1	292492367	YVCMURAUGUVGQP-CYBMUJFWSA-N	301.339	2.098	70	20	DEID	
O=C(NCc1ccccc1F)c1ccc(S(=O)(=O)F)cc1	864238495	MHHWBNLFEMHADZ-UHFFFAOYSA-N	311.309	2.414	70	20	DEID	
CCCC[C@H](OC(=O)c1ccc(S(=O)(=O)F)cc1)C(=O)O	1605252644	YIDLJMYHGPECNW-NSHDSACASA-N	318.322	2.145	70	20	DEID	
CCOCCC1(CNC(=O)c2cccc(C(N)=O)c2)CCC1	161108232	WBVNZVLSUBGRPS-UHFFFAOYSA-N	304.390	2.112	70	20	DEID	
Cc1conc1NC(=O)C(=O)N1C[C@@H](c2ccccc2)C[C@H]1C	161214340	UIQGENQCISUMLE-OCCSQVGLSA-N	313.357	2.326	70	20	DEID	
Cc1conc1NC(=O)C(=O)N[C@@H]1CCSc2ccccc21	160013026	LAVDSOXRVZUFMH-LLVKDONJSA-N	317.370	2.275	70	20	DEID	
COc1cccc(NC(=O)[C@H]2C(=O)N(CC(C)C)N=C2C)c1	160150801	YFPJVYLTZNTWBJ-AWEZNQCLSA-N	303.362	2.124	70	20	DEID	
Cc1cc(C(=O)N2CSC[C@@H]2C(=O)N(C)C2CC2)oc1C	160199122	UMBAWMUSPKPEKE-GFCCVEGCSA-N	308.403	2.032	70	20	DEID	
COc1cccc(C(=O)N(C)CC(C)(C)CN2CCOCC2)c1	160241585	SADMFNYNSZHKIQ-UHFFFAOYSA-N	320.433	2.126	70	20	DEID	
CN(Cc1cnn(C)c1)C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F	160249342	KIXDKOUOFMFSHS-QWHCGFSZSA-N	305.328	2.460	70	20	DEID	
Cc1ccc(-c2nnc(NC(=O)CN(C)c3ccccc3)[nH]2)o1	160249625	UYTZMWKQKISDEG-UHFFFAOYSA-N	311.345	2.448	70	20	DEID	
CCc1ccc(CNC(=O)C(=O)Nc2ccc(C)nc2)s1	160305609	RJVLDSOOSJIASX-UHFFFAOYSA-N	303.387	2.269	70	20	DEID	
CCCN1CCCN(C(=O)Cc2cc(OC)ccc2OC)CC1	160391918	UZRSKIAMPNVJRZ-UHFFFAOYSA-N	320.433	2.191	70	20	DEID	
CCc1nc(CN(Cc2ccc(O)c(OC)c2)C2CC2)n[nH]1	159611944	SDNBMCACBSVVSR-UHFFFAOYSA-N	302.378	2.246	70	20	DEID	
CC(C)C[C@H](CCO)CNC(=O)NCC(C)(C)[C@@H](O)C(C)C	159377519	ZFWSHEAACSJFCJ-GJZGRUSLSA-N	316.486	2.373	70	20	DEID	
O=C(Nc1cccc(S(=O)(=O)F)c1)c1ccc2cccnn12	809280719	FVAQLLCSSIZLFT-UHFFFAOYSA-N	319.317	2.245	70	20	DEID	
O=C(C[C@H]1CCCO1)Nc1ccc(F)c(CS(=O)(=O)F)c1	876317759	GFSPLWSTZHZOMM-LLVKDONJSA-N	319.329	2.133	70	20	DEID	
COCCCCN(C)C(=O)c1ccc(S(=O)(=O)F)cc1C	1349730391	BXJVXXDHRGRDGF-UHFFFAOYSA-N	317.382	2.152	70	20	DEID	
CCCOc1ccc(O[C@@H]2CCCC[C@H]2NC(=O)CN)cc1	161031954	INTMBSAGGQUKPK-HZPDHXFCSA-N	306.406	2.240	70	20	DEID	
CN(Cc1ccccn1)C(=O)N[C@H]1[C@@H]2CCO[C@@H]2C12CCC2	161036666	UNEPROISXUVMER-KKUMJFAQSA-N	301.390	2.181	70	20	DEID	
CCC[C@H](C(=O)NC[C@@H](c1ccccc1OC)N(C)C)N(C)C	161243942	NIBCFJASEVKGEU-CVEARBPZSA-N	321.465	2.144	70	20	DEID	
COCc1ccc([C@@H]2CCCN2C(=O)COC[C@H]2CCOC2)o1	161372068	IAHHZYWEGQUJDA-ZFWWWQNUSA-N	323.389	2.143	70	20	DEID	
CC(=O)Nc1ccc(C)c(NC(=O)CN(C)[C@@H]2CCSC2)c1	160042672	VXTMSMCUMBCCTR-CQSZACIVSA-N	321.446	2.329	70	20	DEID	
CN(CCC1CCCCC1)C(=O)NC[C@H]1CCCS1(=O)=O	160176887	ONNGPRHXBDGQOI-CQSZACIVSA-N	316.467	2.175	70	20	DEID	
CC1CCN(CCCCNC(=O)N2CCC[C@](C)(O)C2)CC1	160354642	DDOJBUATILXKAO-KRWDZBQOSA-N	311.470	2.055	70	20	DEID	
Cc1conc1NC(=O)C(=O)N1CCC[C@H]1c1ccc(F)cc1	160360504	ACUNMWJRIDIRQN-ZDUSSCGKSA-N	317.320	2.424	70	20	DEID	
CCC[C@@](C)(NC(=O)c1ccc(N(C)C)cc1F)C(=O)OC	160483298	QHIBPLCQJDKDOY-MRXNPFEDSA-N	310.369	2.353	70	20	DEID	
CN1CCCN(C(=O)C[C@@H]2COC(=O)C2)c2cc(Cl)ccc21	160729581	AJTQNBPLNQDSBH-NSHDSACASA-N	322.792	2.466	70	20	DEID	
CC[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1	159814657	MTFPVINBFWMMNH-FMKPAKJESA-N	315.417	2.125	70	20	DEID	
CCO[C@H]1C[C@H](NC(=O)N2CCCN(CC)CC2)C12CCC2	159907437	QUEBABFMOUDDHM-GJZGRUSLSA-N	309.454	2.071	70	20	DEID	
CC(C)CC(C)(C)CNC(=O)NCC1(CO)CCOCC1	159510810	LXWVGRZQNQIFRS-UHFFFAOYSA-N	300.443	2.147	70	20	DEID	
CC(C)CO[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)F)c1	460095374	UIPSHFBEEYUEIE-JTQLQIEISA-N	303.355	2.344	70	20	DEID	
O=C(O)Cc1ccc(C(F)(F)F)cc1S(=O)(=O)Cl	97971465	GRHDFLDJNPQBRN-UHFFFAOYSA-N	302.657	2.260	70	20	DEID	
Cc1ccc(OC(=O)[C@H](C)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1	161161738	SZDSDNYCHBTAON-NWANDNLSSA-N	315.369	2.464	70	20	DEID	
CCN(CC)C(=O)c1ccc(C(=O)N[C@H](CO)CC(C)C)cc1	161162271	HCOGPVDCZKKJBL-INIZCTEOSA-N	320.433	2.305	70	20	DEID	
O=C(c1ccc(C(F)(F)F)cn1)N1CCCC[C@H]1CCO	161281801	IAJQDYHHNSBVCP-NSHDSACASA-N	302.296	2.478	70	20	DEID	
CCOC(=O)CN(CCc1ccccc1)c1ncc(F)cn1	161341276	CSTHQTQOGNFBLF-UHFFFAOYSA-N	303.337	2.228	70	20	DEID	
Cc1c(NC(=O)NCCn2ccnc2)cnn1CCC(C)C	161405064	JJUYRBWXYRBGAE-UHFFFAOYSA-N	304.398	2.256	70	20	DEID	
COc1ccc(NC(=O)NC[C@]2(O)CCc3ccccc32)cn1	160000969	POEKUGKEAFABDR-QGZVFWFLSA-N	313.357	2.046	70	20	DEID	
O=C(NC[C@@H]1CCCS1(=O)=O)N1CCC[C@H]1c1ccccc1	160030590	FRDOLGPDKONUBP-GJZGRUSLSA-N	322.430	2.110	70	20	DEID	
Cc1ccc(C)c(CS(=O)(=O)CCCCS(C)(=O)=O)c1	160320558	NLCJGXHLNKLKDL-UHFFFAOYSA-N	318.460	2.043	70	20	DEID	
CCC1(CO)CCN(C(=O)N[C@H]2CCO[C@H](C3CC3)C2)CC1	160533105	OXKFOKRYDVGLNT-GJZGRUSLSA-N	310.438	2.138	70	20	DEID	
CC(=O)N(C)c1ccccc1NC(=O)c1cnc2c(c1)ncn2C	160550435	IODLEDJGSKOGHH-UHFFFAOYSA-N	323.356	2.203	70	20	DEID	
NC(=O)c1ccccc1NC(=O)c1csc([C@H]2CCCO2)n1	160614255	HYOOOXRBHMLFFU-GFCCVEGCSA-N	317.370	2.346	70	20	DEID	
CC(=O)N1CC[C@@H](NC(=O)c2ccc(N(C)CC(C)C)cc2)C1	159630551	HGKZPCZVMMIXGK-MRXNPFEDSA-N	317.433	2.129	70	20	DEID	
CNC(=O)C(C)(C)CNC(=O)Nc1cc(F)cc(Cl)c1	159444086	PNLUKICVRGUHPS-UHFFFAOYSA-N	301.749	2.373	70	20	DEID	
CCCC[C@@H](NC(=O)NC[C@H]1CCCS1(=O)=O)C1CCC1	159649487	GRTPVISVDQTKGG-ZIAGYGMSSA-N	316.467	2.222	70	20	DEID	
CCCNC(=O)CCNC(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2	159492868	RJDKHNMHKSZTHQ-QJRTVWDNSA-N	310.413	2.327	70	20	DEID	
CCS(=O)(=O)c1ccc([C@H](C)N[C@H]2CCCC[C@@H]2O)cc1	159513597	FLDJLUXUHNNYNZ-RCBQFDQVSA-N	311.447	2.434	70	20	DEID	
COc1ccccc1CNC(=O)CN(C)OCc1ccccc1	159601253	SJNCANSGSHOKSK-UHFFFAOYSA-N	314.385	2.375	70	20	DEID	
COc1cccc(COCCNC(=O)NCCc2ccco2)c1	161056109	ABKPQAVBQCVKMJ-UHFFFAOYSA-N	318.373	2.347	70	20	DEID	
CC[C@H](C(=O)N[C@@H](C)[C@@H]1CN(C)CCO1)c1ccc(F)cc1	161281481	IPJRQRNGWCEEQD-RCBQFDQVSA-N	308.397	2.155	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)c1cc(O)nc2ccccc12	160003680	RGOAFJTXOJIUSD-JTQLQIEISA-N	302.330	2.012	70	20	DEID	
Cc1cccc([C@@H](C)NC(=O)NC[C@H]2CCCS2(=O)=O)c1C	160194336	MZRGICMIQFIHOC-ZIAGYGMSSA-N	324.446	2.241	70	20	DEID	
Cc1cnccc1CCNC(=O)NCc1cccc(N(C)C)c1	160350311	RFFORHRJBLMEJX-UHFFFAOYSA-N	312.417	2.498	70	20	DEID	
Cc1nc2n(n1)C[C@H](N[C@@H]1CCCc3nc(C)sc31)CC2	160504696	KIZXUJOPGICERG-DGCLKSJQSA-N	303.435	2.333	70	20	DEID	
Cc1nc2n(n1)C[C@H](N[C@H]1CCCc3nc(C)sc31)CC2	160504937	KIZXUJOPGICERG-YPMHNXCESA-N	303.435	2.333	70	20	DEID	
CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(C)nc1	160639360	JEBDBNFUTBOYHN-UHFFFAOYSA-N	303.387	2.439	70	20	DEID	
NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cc(F)c(Cl)cc1F	160735246	JZVHRODMZXJSQB-KRTXAFLBSA-N	316.735	2.392	70	20	DEID	
CN(Cc1cccn1C)C(=O)c1cc2c([nH]c1=O)CCCCC2	160908110	DEHVOAMUGCOFLD-UHFFFAOYSA-N	313.401	2.255	70	20	DEID	
CCNC(=O)c1ccc(NC(=O)N[C@H](COC)C2CC2)c(C)c1	159364687	PBVBYKSWIZKBRN-OAHLLOKOSA-N	319.405	2.291	70	20	DEID	
CC[C@@](C)(OC)C(=O)Nc1ccc(C)c(S(=O)(=O)F)c1	857674325	WBUVCFUKTXHWHF-CYBMUJFWSA-N	303.355	2.407	70	20	DEID	
O=C(NCc1ccc2c(c1)OCCO2)c1ccc(O)cc1F	161119783	SOWKRXXQXSUAIP-UHFFFAOYSA-N	303.289	2.233	70	20	DEID	
Cc1ccc(CCC(=O)NCC2CCN(CCO)CC2)c(C)c1	160695239	YBVHHHSTUDCPBY-UHFFFAOYSA-N	318.461	2.057	70	20	DEID	
Cc1ccc([C@@H](O)CNS(=O)(=O)Cc2ccc(F)cc2)cc1	159454007	RCBNWIJGRIGRNJ-INIZCTEOSA-N	323.389	2.287	70	20	DEID	
CN(CCCNC(=O)N1CCC[C@@](C)(O)C1)c1ccccc1	159874637	KVZKMATWKUVJMT-QGZVFWFLSA-N	305.422	2.069	70	20	DEID	
CCOC(=O)CN(C)CC(=O)Nc1ccc(Cl)cc1Cl	159509057	DEHACBFJVZGAGB-UHFFFAOYSA-N	319.188	2.427	70	20	DEID	
NC(=O)NC1(C(=O)NC2CCC(c3ccccc3)CC2)CC1	159776011	WCWRMKXYKAMNGC-UHFFFAOYSA-N	301.390	2.030	70	20	DEID	
O=C(c1cc(Br)cs1)N1C[C@@H]2CCC[C@H](C1)N2	160485889	OUVCLARVDSJNGL-AOOOYVTPSA-N	315.236	2.477	70	20	DEID	
C[C@]1(C#N)CCCN(Cc2ccc(OS(=O)(=O)F)cc2)C1	2088595036	SCQPPZROHSHAOZ-CQSZACIVSA-N	312.366	2.405	70	20	DEID	
CCO[C@@H](CC)C(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	857674797	QJAZWPVMYDTJKC-JTQLQIEISA-N	307.318	2.238	70	20	DEID	
O=C(c1cccc(S(=O)(=O)F)c1)N1C[C@H]2CC=CC[C@H]2C1	1337491043	MJHUBLIDHQATBA-BETUJISGSA-N	309.362	2.383	70	20	DEID	
CCN(CCSC)C(=O)c1cccc(S(=O)(=O)F)c1	1354884174	AVLNQNQJPGEYRI-UHFFFAOYSA-N	305.396	2.170	70	20	DEID	
CCCOc1ccc(OCC(=O)N2CCC[C@H]2CNC)cc1	161162588	ODDWTOCNKQXLSY-AWEZNQCLSA-N	306.406	2.065	70	20	DEID	
Cc1noc(C)c1[C@@H](C)CNC(=O)CCC(=O)NC1CCCC1	161403887	REBIEGOHWOPJBT-NSHDSACASA-N	321.421	2.350	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)CCCc1nc2ccccc2[nH]1	160127122	YKMLGTIZIKBGFL-LBPRGKRZSA-N	317.389	2.344	70	20	DEID	
C[C@H](CC(=O)N1CCC[C@@H](N2CCCC2=O)C1)c1ccncc1	160275026	UNTXASMYUYYIEJ-GDBMZVCRSA-N	315.417	2.189	70	20	DEID	
CN(C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)[C@H]1CCS(=O)(=O)C1	160318220	HKNSZDMBRLHJLK-YJNKXOJESA-N	313.463	2.238	70	20	DEID	
O=C(CCc1ccccc1Cl)NC[C@@H](O)CN1CCCCC1	160408657	QRFURVNLNKBUMU-OAHLLOKOSA-N	324.852	2.236	70	20	DEID	
CCC(N)(CC)CNC(=O)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1	160478320	WGGXKBMDHJNZPE-GJZGRUSLSA-N	323.481	2.049	70	20	DEID	
COc1cc(CCC(=O)NCC(=O)N2CCCC2)ccc1Cl	160557123	KBCFWWCQACSBBJ-UHFFFAOYSA-N	324.808	2.020	70	20	DEID	
CC1(NC(=O)NCCCc2nnc3n2CCCCC3)CCC1	160603170	ZJPICPNTVJKXKJ-UHFFFAOYSA-N	305.426	2.179	70	20	DEID	
CC[C@H](C)[C@@](C)(O)CNC(=O)Nc1cc(C(=O)OC)cs1	160894656	CYQABVRSLJQROH-XPTSAGLGSA-N	314.407	2.453	70	20	DEID	
CC(=O)NC1(C(=O)NCCNC2CCCCCC2)CCCCC1	159621852	YHMMILATECVHCF-UHFFFAOYSA-N	323.481	2.254	70	20	DEID	
Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCN(CC(C)C)C2)c1	159445407	SBYFUWCJRWFSMN-HNNXBMFYSA-N	317.433	2.028	70	20	DEID	
CCN(C)C(=O)CCN1CCO[C@]2(CCc3ccccc32)C1	159677881	QVOFCPRGXBRLSY-GOSISDBHSA-N	302.418	2.029	70	20	DEID	
COc1ccccc1[C@H](C)N(C)C(=O)CN1CCCC[C@@H]1CO	159764139	JVTOKSDXGKVKFC-LSDHHAIUSA-N	320.433	2.061	70	20	DEID	
Cc1ccc(C)c(OCCC(=O)NC[C@H](O)COCC(C)C)c1	159381882	ZODJJQXGUMPLOU-INIZCTEOSA-N	323.433	2.222	70	20	DEID	
COc1ccc(N(C)C(=O)[C@H](C(C)C)N2CCCC2=O)cc1F	159776344	LHMXPSMHCCRREZ-INIZCTEOSA-N	322.380	2.444	70	20	DEID	
O=C(OCC[C@@H]1CCCC1=O)c1cccc(S(=O)(=O)F)c1	1119614718	ITMYDZHNJBAOAU-JTQLQIEISA-N	314.334	2.261	70	20	DEID	
CO[C@H]1CCC[C@H]1C(=O)Nc1cccc(S(=O)(=O)F)c1	1121101838	BZVCYFKJUHKSTF-NEPJUHHUSA-N	301.339	2.098	70	20	DEID	
C[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)c1cccc(C#N)c1	1338813871	IEFCBKNTKACDNE-SECBINFHSA-N	321.333	2.036	70	20	DEID	
O=C(N[C@H]1CCC[C@@H](F)C1)c1cccc(S(=O)(=O)F)c1	1349545992	GZAOSCIQICBSCX-MNOVXSKESA-N	303.330	2.355	70	20	DEID	
Cc1cccc(C)c1NC(=O)C(=O)N[C@@H](C)C1CCOCC1	161050925	NKPIQGOOUNKHRA-ZDUSSCGKSA-N	304.390	2.173	70	20	DEID	
C/C=C/c1ccc(OCC(=O)N2CCC[C@H]2CNC)c(OC)c1	161247955	WSJHSZZYMMEJES-DRDHIDPGSA-N	318.417	2.318	70	20	DEID	
CC(C)OC(=O)[C@@H](C)N(C)C(=O)Cc1ccc(O)cc1Cl	161408927	YNAQHCWYLPUPGJ-SNVBAGLBSA-N	313.781	2.387	70	20	DEID	
CC(C)C[C@@H](CO)NC(=O)Nc1ccc(O[C@H]2CCOC2)cc1	160175220	JOZUPYFCVNXWOT-HOCLYGCPSA-N	322.405	2.383	70	20	DEID	
CN(C)C(=O)CC(=O)NCCCOc1ccc2ccccc2c1	160719143	ZPKDRBVRKPHUBV-UHFFFAOYSA-N	314.385	2.203	70	20	DEID	
Cc1nc([C@@H](NC(=O)[C@H]2OCC[C@H]2C)c2ccccc2F)no1	160862316	SJSBIRQKIQPQCU-IIMNLJJBSA-N	319.336	2.148	70	20	DEID	
CC(C)NCCC(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1=O	160943085	WILZZZDMCVNCLQ-MRXNPFEDSA-N	317.433	2.029	70	20	DEID	
COc1ccc(N(C)C(=O)CCCCCNC(C)=O)cc1F	159400507	WMNFYXVMECHHTP-UHFFFAOYSA-N	310.369	2.494	70	20	DEID	
C[C@@H](OC1CCCCCC1)C(=O)N(C)CC(=O)NC(C)(C)C	159809526	UZMLHXKHNCVQKD-CYBMUJFWSA-N	312.454	2.487	70	20	DEID	
Cc1cnc([C@H](C)CNC(=O)NOCc2cccnc2)s1	159630468	ZSPNUMLPUWYRFT-SNVBAGLBSA-N	306.391	2.381	70	20	DEID	
Cc1nc(-c2cccc(NC(=O)NO[C@@H]3CCCCO3)c2)n[nH]1	159482105	APFOLDVUZSJQKW-CYBMUJFWSA-N	317.349	2.360	70	20	DEID	
Cc1ccc(NC(=O)C(=O)NCc2ccc(Cl)cc2)cn1	159707344	MNPUQTBYLSMEAW-UHFFFAOYSA-N	303.749	2.298	70	20	DEID	
C[C@@H](NC(=O)NCC1(CO)CCOCC1)[C@H](C)c1ccccc1	159389466	MUARZQGVARTYNT-LSDHHAIUSA-N	320.433	2.267	70	20	DEID	
COc1ccc(NC(=O)N[C@H]2CCN(c3ccccn3)C2)cc1	159776352	JVRSERTWJMTSEJ-AWEZNQCLSA-N	312.373	2.491	70	20	DEID	
CCN(CCS(C)(=O)=O)C(=O)Nc1cccc(Cl)c1	159778820	ZNCUTFWQWABESQ-UHFFFAOYSA-N	304.799	2.238	70	20	DEID	
CCCCNS(=O)(=O)c1cccc2c(C(=O)OC)nccc12	159977003	MGNMTYIZZOQLTL-UHFFFAOYSA-N	322.386	2.100	70	20	DEID	
O=C(NCC1(C2CC2)CC1)N[C@H]1CCN(CC(F)(F)F)C1	159781010	JIXHEHNWUWVFKR-NSHDSACASA-N	305.344	2.112	70	20	DEID	
COCCN(CCO)C(=O)Cc1c(Cl)cccc1Cl	160636980	UGJMJCDHEXUAPH-UHFFFAOYSA-N	306.189	2.003	70	20	DEID	
Cc1ccc(NC(=O)[C@H]2CCCS2)cc1S(=O)(=O)F	857675611	UVBCBTLZJCEFEY-SNVBAGLBSA-N	303.380	2.487	70	20	DEID	
CCO[C@@H](CC)C(=O)Nc1ccc(F)c(CS(=O)(=O)F)c1	876319106	PGEXNUHZXBXITB-LBPRGKRZSA-N	321.345	2.379	70	20	DEID	
CCNCC1CCN(C(=O)CCOc2ccccc2OC)CC1	161034171	CDPIPXNBDNXPCY-UHFFFAOYSA-N	320.433	2.312	70	20	DEID	
CCN(CC(=O)NCc1ccc(C)c(F)c1)Cc1cnn(C)c1	161108273	DZLKAYHKHBRDQW-UHFFFAOYSA-N	318.396	2.006	70	20	DEID	
COC[C@H](NC(=O)NC[C@H](C[C@H](C)O)c1ccccc1)C1CC1	161182991	PURUWTLIEDHLMW-JQFCIGGWSA-N	320.433	2.265	70	20	DEID	
CC(C)(NCC(=O)NC(N)=O)c1ccc(Cl)c(Cl)c1	161450346	ZMWIGCMGOWMGQV-UHFFFAOYSA-N	304.177	2.013	70	20	DEID	
O=C(Cc1cccc(OC(F)F)c1)N1C[C@@H]2CCC[C@H](C1)N2	160034580	MJIGZSMVGHBIRX-BETUJISGSA-N	310.344	2.183	70	20	DEID	
CC(C)C[C@H]1CCCN(C(=O)NC[C@@H]2CCCS2(=O)=O)C1	160115861	WOEZLVLNXHJVBM-KGLIPLIRSA-N	316.467	2.031	70	20	DEID	
CCN(CC)[C@H](CNC(=O)N1CCC[C@@](C)(O)C1)CC(C)C	160138207	RWFDCYYACQLBOE-DOTOQJQBSA-N	313.486	2.299	70	20	DEID	
Cc1c(CCC(=O)Nc2cnc(C(C)(C)C)nc2)cnn1C	160203474	VYTOQDWERKCFGY-UHFFFAOYSA-N	301.394	2.387	70	20	DEID	
C[C@@H](C(=O)NCCc1ccc(F)cc1)N(C)Cc1cccnc1	160299563	FBUPKJXOISQZQQ-AWEZNQCLSA-N	315.392	2.400	70	20	DEID	
COc1cc(CCNC(=O)[C@@H]2Cc3ccccc3CN2)ccc1C	160321477	GYOPYCONXILZFZ-SFHVURJKSA-N	324.424	2.377	70	20	DEID	
CSc1ccc(C(=O)N2CC[C@H]3NC(=O)CC[C@H]3C2)cc1	160580711	FSFZTUGUHZDYIT-GXTWGEPZSA-N	304.415	2.149	70	20	DEID	
O=C(NCC1CCN(CCO)CC1)c1ccc2ccccc2c1	160662876	QSLFMSDKETUQMI-UHFFFAOYSA-N	312.413	2.274	70	20	DEID	
CN(C)c1ccnc(C(=O)N[C@H]2CCOC3(CCCC3)C2)c1	159460168	UPTDOROJIVJJCY-ZDUSSCGKSA-N	303.406	2.369	70	20	DEID	
C[C@@H]1CCN(S(=O)(=O)c2ncn(C)c2Cl)C[C@H](C)C1	159672650	BRONXCHSNPQKEG-NXEZZACHSA-N	305.831	2.130	70	20	DEID	
COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C	159547484	LRFJJUMQBWQXPR-WZYXQFPFSA-N	324.808	2.474	70	20	DEID	
CC(C)OC1CCC(NC(=O)[C@@H]2CCc3cn[nH]c3C2)CC1	159565249	BWBZHLLGWOFIAG-LRVUVFPRSA-N	305.422	2.367	70	20	DEID	
CCN(Cc1csc(C2CC2)n1)[C@H]1CCS(=O)(=O)C1	161362132	MDVWJRSSVOVWMG-LBPRGKRZSA-N	300.449	2.030	70	20	DEID	
CCOCC(C)(C)NC(=O)c1ccc(S(=O)(=O)F)cc1C	1121126724	RNVNXNUQRXVYLF-UHFFFAOYSA-N	317.382	2.198	70	20	DEID	
Cc1ccc(Cl)c(S(=O)(=O)N(C)C[C@@H](O)C2CC2)c1	161456850	WRNQNFIMTFNZIU-GFCCVEGCSA-N	303.811	2.040	70	20	DEID	
C[C@H](Cn1ccnc1)NC(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]21	161042053	NUUCLEBZPWOXLI-ISWURRPUSA-N	310.401	2.299	70	20	DEID	
CSc1ccc(S(=O)(=O)NC2(C)CCOCC2)cc1	161066782	TZQOWVCACGBALR-UHFFFAOYSA-N	301.433	2.256	70	20	DEID	
CCc1ncc(NC(=O)NCCc2ccc(O)c(OC)c2)cn1	161189174	UXGSOBWXXIKHKY-UHFFFAOYSA-N	316.361	2.117	70	20	DEID	
CC[C@@H]1CCCC[C@H]1N(C)C(=O)CCSc1nnnn1C	161215558	FQZMIMIYILUSOB-VXGBXAGGSA-N	311.455	2.120	70	20	DEID	
CC[C@H](C)OCC(=O)Nc1ccc(C2=NNC(=O)CC2)cc1	161258757	KROJOZDHNRIQHO-NSHDSACASA-N	303.362	2.054	70	20	DEID	
C[C@@]1(c2ccc(F)cc2F)NC(=O)N(Cc2nccs2)C1=O	161263451	NJVNULDMLBUSPG-AWEZNQCLSA-N	323.324	2.389	70	20	DEID	
COc1ccc(CCCNC(=O)c2cnc3c(c2)ncn3C)cc1	160195650	WIAJPVFTMWFQMB-UHFFFAOYSA-N	324.384	2.340	70	20	DEID	
CCCNC(=O)c1cccc(C(=O)N(CCCCO)C2CC2)c1	160204905	BPXJEPKFPMWMCO-UHFFFAOYSA-N	318.417	2.204	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)c1c(F)c(F)cc(F)c1F	160207632	UPMZDQWZUOJNRO-ZCFIWIBFSA-N	307.243	2.315	70	20	DEID	
NC(=O)[C@@H]1CCCN1Cc1c[nH]nc1-c1ccc(Cl)cc1	160329338	SGALIKLWVAHMJH-ZDUSSCGKSA-N	304.781	2.180	70	20	DEID	
CC(C)c1nc(N[C@@H]2CCO[C@H](C3CC3)C2)nc(N(C)C)n1	160405850	ADAMCZIAXUTTKK-OLZOCXBDSA-N	305.426	2.431	70	20	DEID	
CCOC(=O)C[C@H](C)NC(=O)Cc1csc(C(C)(C)C)n1	160443817	IGKXCJHXZARKAV-JTQLQIEISA-N	312.435	2.441	70	20	DEID	
CCO[C@@H](CC)C(=O)Nc1ccc(CS(C)(=O)=O)c(F)c1	160654026	YLWODBBUVUUJPK-ZDUSSCGKSA-N	317.382	2.124	70	20	DEID	
Cc1cc(Cl)ccc1C(=O)N[C@@H](C)CCS(C)(=O)=O	160824184	OAESAMWQQOITQG-JTQLQIEISA-N	303.811	2.201	70	20	DEID	
C[C@H](O)[C@@H]1CCN(C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)C1	160878499	WJTLJOOUCWAIAV-SVGFKBNWSA-N	318.417	2.319	70	20	DEID	
CN(C[C@H](O)C1CC1)C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1	160902188	LNZXDCXFICGTOY-IKGGRYGDSA-N	318.417	2.319	70	20	DEID	
CCCCN1CCc2ccc(NC(=O)c3nccnc3N)cc21	160965872	QXZZNOHXEBPXPQ-UHFFFAOYSA-N	311.389	2.474	70	20	DEID	
Cn1cnnc1CSc1nnc(-c2ccccc2F)n1C	160970455	BPDPINSSOHUJOY-UHFFFAOYSA-N	304.354	2.042	70	20	DEID	
COCc1ccc(C(=O)N2CCC(NCC3CC3)CC2)cc1	159848663	PLGJMNIKKOVXLW-UHFFFAOYSA-N	302.418	2.437	70	20	DEID	
Cc1noc(C)c1[C@@H](C)CNC(=O)NC[C@H](C)CN1CCCC1	159660837	CGCUBZOAEWZSCG-STQMWFEESA-N	322.453	2.426	70	20	DEID	
CCS(=O)(=O)c1cccc(CC(=O)Nc2ccncc2C)c1	159873109	BXHRADJXFUXFAX-UHFFFAOYSA-N	318.398	2.365	70	20	DEID	
Cc1ncncc1C(=O)N[C@H](C)c1ccccc1-n1cccn1	159521145	NJQGYPYMPDSFSD-CYBMUJFWSA-N	307.357	2.462	70	20	DEID	
CSc1ncc(Cl)c(C(=O)NCC2(CO)CCCC2)n1	160274871	MTQIPWZSLJKXBL-UHFFFAOYSA-N	315.826	2.134	70	20	DEID	
CCn1nccc1/C=C/C(=O)Nc1cccc(S(=O)(=O)F)c1	460097658	XGJSJSPPHYUMDI-VOTSOKGWSA-N	323.349	2.213	70	20	DEID	
C[C@]1(C(=O)Nc2cccc(S(=O)(=O)F)c2)CCCOC1	277594292	NWJAYBMMJMFDBF-ZDUSSCGKSA-N	301.339	2.100	70	20	DEID	
COc1ccc(CNC(=O)c2ccc(S(=O)(=O)F)cc2)cc1	864238558	NLUGFOHUTOOIQX-UHFFFAOYSA-N	323.345	2.283	70	20	DEID	
CN(CC1=CCSC1)C(=O)c1cccc(S(=O)(=O)F)c1	1338820201	XSQFTYOXBAPOGB-UHFFFAOYSA-N	315.391	2.090	70	20	DEID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N(C1CC1)[C@H](C)C#N	1337477993	ADBVJSIDRZBMAA-SNVBAGLBSA-N	310.350	2.170	70	20	DEID	
CN(Cc1cccn1C)C(=O)CCc1nc(-c2ccoc2)no1	161003911	LKWVUSIGFNHVGO-UHFFFAOYSA-N	314.345	2.259	70	20	DEID	
CCN(Cc1ccccc1)C(=O)CNC(=O)C[C@@H](C)SC	161062634	CRFAVTKHMSGDCB-CYBMUJFWSA-N	308.447	2.293	70	20	DEID	
COCC(C)(C)C(=O)NCCc1ccc(-n2cccn2)cc1	161311595	KNJRTHAECWTEFP-UHFFFAOYSA-N	301.390	2.204	70	20	DEID	
C[C@@]1(NC(=O)Nc2cccc(N3CCCC3=O)c2)CCOC1	160095394	LRTRQENZFWAGAD-MRXNPFEDSA-N	303.362	2.114	70	20	DEID	
O=C(CCC(=O)N[C@H]1CCOC2(CCCC2)C1)NC1CCCC1	160147427	AYVPAIIPMZATQN-HNNXBMFYSA-N	322.449	2.433	70	20	DEID	
CCCc1ccc(C(=O)NC[C@@H](O)CN2CCCCC2)cc1	160209317	QSHCJHCSPZKXON-QGZVFWFLSA-N	304.434	2.216	70	20	DEID	
O=C(NC[C@@H](O)CN1CCCCC1)C1(c2ccccc2)CCC1	160271821	KXMKLBNVFWZJIX-QGZVFWFLSA-N	316.445	2.071	70	20	DEID	
CCc1c(C(=O)Nc2cccc(C(N)=O)c2)cnn1CC(C)C	160689507	ZOWLQLDJUBPRBW-UHFFFAOYSA-N	314.389	2.453	70	20	DEID	
C[C@H](N[C@H](C)C(=O)OC(C)(C)C)c1nnnn1-c1ccccc1	160933134	NHCHFOJQCMWKOZ-NWDGAFQWSA-N	317.393	2.043	70	20	DEID	
CCO[C@@H]1C[C@@H](NC(=O)[C@H]2NCCc3ccccc32)C12CCC2	160998167	AWAKOQNJVZOJTB-ZACQAIPSSA-N	314.429	2.337	70	20	DEID	
c1ccc(-n2ncc3c(N4CCOC[C@@H]4C4CC4)ncnc32)cc1	159658452	LEGYYVNQKYDICH-MRXNPFEDSA-N	321.384	2.431	70	20	DEID	
CCN(C)C(=O)CCSCc1nc2ccccc2c(=O)[nH]1	159590119	QFZAIYYORXRHJU-UHFFFAOYSA-N	305.403	2.025	70	20	DEID	
O=C(O[C@H]1CCCCC1=O)c1ccc(S(=O)(=O)F)cc1	838087636	GNMRPLNSFHOYNY-LBPRGKRZSA-N	300.307	2.013	70	20	DEID	
CC[C@@H](C)OCC(=O)Nc1ccc(F)c(CS(=O)(=O)F)c1	876318708	IWCKXUCXGBIQHS-SECBINFHSA-N	321.345	2.379	70	20	DEID	
O=C(N[C@@H]1CCC[C@@H](F)C1)c1ccc(S(=O)(=O)F)cc1	1337635314	FNRAUBNDTOTCJG-GHMZBOCLSA-N	303.330	2.355	70	20	DEID	
CCCC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(OC)c(N)c1	161010292	BDFNOOCKSGXXIL-CQSZACIVSA-N	319.405	2.397	70	20	DEID	
CCC[C@@H](C)N1C[C@@H](C(=O)Nc2ccc(OC)c(N)c2)CC1=O	161241066	AAHIVVSFQJRIMR-NEPJUHHUSA-N	319.405	2.253	70	20	DEID	
CC(C)(C)[C@H]1CCCN(C(=O)N[C@@H]2CCc3ncnn3C2)CC1	161242626	YAZGULQWMCDHBI-UONOGXRCSA-N	319.453	2.451	70	20	DEID	
CCCCOCCNC(=O)c1ccc(C(=O)NC2CC2)cc1	161404145	KFKQTOUHQBDPAK-UHFFFAOYSA-N	304.390	2.125	70	20	DEID	
CC(C)CSCCCNC(=O)CS(=O)(=O)C(C)(C)C	161461350	BKTWPJCGIZUKKH-UHFFFAOYSA-N	309.497	2.095	70	20	DEID	
CCCCn1ncc(NC(=O)N[C@H]2CCN(C(C)C)C2=O)c1C	160161031	RZPCTTMDYLWRJD-ZDUSSCGKSA-N	321.425	2.122	70	20	DEID	
Cc1nc2ccc(NC(=O)NCCCNC(=O)C(C)C)cc2o1	160366398	HGRFKQKCPFYWAH-UHFFFAOYSA-N	318.377	2.420	70	20	DEID	
CCOC(=O)c1csc(CNC(=O)c2cc(C)c(C)o2)n1	160401905	LJWUURABKGPMLL-UHFFFAOYSA-N	308.359	2.460	70	20	DEID	
CC[C@H]1CCCCN1CCNC(=O)N(C)Cc1cccn1C	160474561	FNQZWMZQLLSGSZ-HNNXBMFYSA-N	306.454	2.431	70	20	DEID	
CC[C@H]1CC(=O)N(CN(C)CCN(C)C(=O)OC(C)(C)C)C1	160536345	QCTLSYZBPZFXPZ-ZDUSSCGKSA-N	313.442	2.001	70	20	DEID	
C[C@H](NC(=O)Nc1ccc(-c2ncn(C)n2)cc1)[C@H]1CCOC1	160638630	NFEUCVVBXYLSKU-AAEUAGOBSA-N	315.377	2.029	70	20	DEID	
COc1cccc(C(=O)N[C@H](CCO)C(C)C)c1OC(F)F	160660359	LTZSJEXENLULTK-LLVKDONJSA-N	317.332	2.433	70	20	DEID	
Cc1nc(COC(=O)Cn2c(C)c(C)sc2=O)c(C)s1	160683692	WVFVBCCSAJSFKP-UHFFFAOYSA-N	312.416	2.343	70	20	DEID	
C[C@H](CC(=O)N[C@](C)(C(N)=O)c1ccccc1)c1ccncc1	159830187	SGWKQFJFXMBZDH-ACJLOTCBSA-N	311.385	2.092	70	20	DEID	
Cc1ccc(O[C@H](C)CNC(=O)c2cnc3c(c2)ncn3C)cc1	159909355	KAICNAWVQJAWNW-CYBMUJFWSA-N	324.384	2.474	70	20	DEID	
CCN1CCCN(C(=O)N[C@H](C)Cc2ccccc2F)CC1	159733103	XGWPGFKHDVBNTF-CQSZACIVSA-N	307.413	2.494	70	20	DEID	
Brc1cccc(Cc2nnn(C[C@@H]3CCCO3)n2)c1	159367894	ZXHFBDQMGDCNHJ-LBPRGKRZSA-N	323.194	2.205	70	20	DEID	
C[C@@H]1OCCN(C(=O)NCc2ccnc(N3CCCC3)c2)[C@H]1C	159368185	AJDLFAAYVWUKNO-KBPBESRZSA-N	318.421	2.001	70	20	DEID	
COC(=O)c1ccc(NC(=O)N2CCC[C@@H]2C[C@H](C)O)cc1	159983313	XBDBZSNMPKCYTC-SMDDNHRTSA-N	306.362	2.240	70	20	DEID	
C[C@@]1(C(=O)Nc2ccc(S(=O)(=O)F)c(F)c2)CCCCO1	857672948	NMZDLAAULYNXOI-ZDUSSCGKSA-N	319.329	2.382	70	20	DEID	
CC(C)[C@H](C)N(C)C(=O)Cc1ccc(S(=O)(=O)F)cc1	1336659632	CLRRDYYJKBMFHE-NSHDSACASA-N	301.383	2.390	70	20	DEID	
CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)c1ccc(F)cc1	1337667393	PGEQIQRUJYMNNW-UHFFFAOYSA-N	300.286	2.089	70	20	DEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC2(CCC2)CC1	1346797689	ZLDXUYZMRSKZHR-UHFFFAOYSA-N	300.355	2.079	70	20	DEID	
Cc1ccccc1CCN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1520008228	XUQLJLPZMAPBSI-UHFFFAOYSA-N	324.377	2.296	70	20	DEID	
CCN(C(=O)CSCCN1CCOCC1)C1CCCCC1	160046254	FTDKFCVLKOUXAF-UHFFFAOYSA-N	314.495	2.233	70	20	DEID	
CC(C)OCCCNC(=O)Nc1ccc(-c2ncn(C)n2)cc1	160457017	QRRCJVKSAPGCEJ-UHFFFAOYSA-N	317.393	2.419	70	20	DEID	
CC(C)(C)c1cnc([S@@](=O)Cc2nnnn2C2CC2)s1	160561512	WJTUKUOAQDAQRN-HXUWFJFHSA-N	311.436	2.070	70	20	DEID	
O=C(Nc1cccc(F)n1)[C@@H]1CN(Cc2ccccc2)CCO1	160717043	DXOJOBVUCDLRNW-AWEZNQCLSA-N	315.348	2.060	70	20	DEID	
CN(CCCNC(=O)N1CCC[C@](C)(O)C1)c1ccccc1F	160742205	UNPXGQLBFLFHPN-KRWDZBQOSA-N	323.412	2.208	70	20	DEID	
CC[C@H](N)C(=O)NCCCc1ccc(Br)cc1F	160884417	BFKUMHIXTATATG-LBPRGKRZSA-N	317.202	2.374	70	20	DEID	
COCCOC[C@H]1CCN(C(=O)C[C@H](C)c2ccncc2)C1	160895540	RGBGVFLMOYELGT-GJZGRUSLSA-N	306.406	2.087	70	20	DEID	
CCOC(=O)CCc1ccc(NC(=O)N2CC[C@@H](CO)C2)cc1	159649639	ASFGRHWQZLEQMM-CQSZACIVSA-N	320.389	2.028	70	20	DEID	
Cc1nccc(NC(=O)N[C@@H](C)CO[C@H]2CCOC2)c1Cl	159657825	PBULFJKHKPOKQU-ONGXEEELSA-N	313.785	2.359	70	20	DEID	
CC(C)OC(=O)CCCNC(=O)NC[C@@H]1Cc2ccccc21	159573910	YSBAQIHGGRBOOL-AWEZNQCLSA-N	304.390	2.357	70	20	DEID	
O=C1NC2(CCCC2)C(=O)N1CCN1CC[C@@H]2CCCC[C@@H]21	159973062	GHIAFNADSYQGEE-KBPBESRZSA-N	305.422	2.116	70	20	DEID	
CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CCCCCC1	1350748249	ZEWHITBHRIENCQ-UHFFFAOYSA-N	302.371	2.468	70	20	DEID	
CCC[C@](C)(CO)NC(=O)NC[C@H]1CCCCN1CC(C)C	161016552	RJMQQRSHBZJQBQ-NVXWUHKLSA-N	313.486	2.347	70	20	DEID	
CCC(=O)N1CC[C@H](NC(=O)[C@H](CC)c2ccc(F)cc2)C1	161141067	APQGQCLGPWMCGP-LSDHHAIUSA-N	306.381	2.446	70	20	DEID	
CCCC[C@@H](NCc1cnn(C)c1)C(=O)Nc1cc(C)on1	161141417	XXMCCPXWMMVVIT-CYBMUJFWSA-N	305.382	2.004	70	20	DEID	
CCc1n[nH]c(-c2ccccc2NC(=O)c2cn(C)nc2C)n1	161222730	GKJHHABUEPQXGQ-UHFFFAOYSA-N	310.361	2.328	70	20	DEID	
C[C@@H](C(=O)N[C@@H]1CCN(c2ccccn2)C1)N1CCCCCC1	161357965	HLLNKROKOCFZDD-JKSUJKDBSA-N	316.449	2.041	70	20	DEID	
CCCCn1ncc(NC(=O)N[C@@H](CO)CCSC)c1C	160197121	XPWMFSZVQMNQOJ-GFCCVEGCSA-N	314.455	2.227	70	20	DEID	
CCc1ncc(C(=O)N2CCOC[C@@H]2[C@@H]2CCCCC2=O)s1	160479605	YVFVPAWROSAIQK-NWDGAFQWSA-N	322.430	2.306	70	20	DEID	
CC1=C(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)CCCO1	160537013	CPMXTZDFJFNYGR-SNVBAGLBSA-N	302.330	2.429	70	20	DEID	
COC(=O)NCc1ccc(NC(=O)[C@H]2CCC(=O)C[C@H]2C)cc1	160846465	DZWAGZHQMRAUGR-ABAIWWIYSA-N	318.373	2.486	70	20	DEID	
O=C(NCC1(O)CCC1)N[C@H]1CCO[C@H](c2ccccc2)C1	160908426	BCCDCWLZUKQCOZ-GJZGRUSLSA-N	304.390	2.121	70	20	DEID	
C[C@@H](OC[C@@H]1CCCO1)C(=O)NCCc1cc2ccccc2[nH]1	159605644	ATZCWMCDCCVGHV-CJNGLKHVSA-N	316.401	2.411	70	20	DEID	
c1ccc2c(c1)CC[C@@]21CN(Cc2cn3cccnc3n2)CCO1	159433383	XCBWAYHGGXTFSN-LJQANCHMSA-N	320.396	2.403	70	20	DEID	
CCCCO[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)F)cc1	123096829	MKVIGVSGXOQSKE-JTQLQIEISA-N	303.355	2.489	70	20	DEID	
CCN(CC)CCCOC(=O)c1ccc(S(=O)(=O)F)cc1	838091819	CFXIBYKZGBSBRQ-UHFFFAOYSA-N	317.382	2.234	70	20	DEID	
Cc1cc(S(=O)(=O)F)ccc1C(=O)N1CCC[C@H](CF)C1	1262805566	VMBAZIXKDGOBAQ-LLVKDONJSA-N	317.357	2.475	70	20	DEID	
Cc1[nH]ncc1S(=O)(=O)Nc1cc(F)ccc1OC(F)F	161117621	QTLNWLLFBPLKLJ-UHFFFAOYSA-N	321.280	2.259	70	20	DEID	
C[C@H](NCCCc1nnc2n1CCCCC2)C1CCOCC1	161190319	DTBFVFHDNLPZDE-AWEZNQCLSA-N	306.454	2.342	70	20	DEID	
Cc1ccc(NC(=O)NCc2ccc([S@@](C)=O)cc2)cn1	161310689	TUDZNANLTHNQHL-NRFANRHFSA-N	303.387	2.449	70	20	DEID	
Cn1nccc1CN1C(=O)N[C@](C)(c2cccc(Cl)c2)C1=O	161341320	YBEXUVKTXOOSGP-OAHLLOKOSA-N	318.764	2.041	70	20	DEID	
O=C(NC(C1CC1)C1CC1)N1CCCN(CC(F)F)CC1	160101402	KYRXJXFOOSHAHR-UHFFFAOYSA-N	301.381	2.157	70	20	DEID	
C[C@@](O)(CNc1ncnc2nc[nH]c12)c1ccccc1Cl	160197455	HBDBVJLMLZJFCC-CQSZACIVSA-N	303.753	2.326	70	20	DEID	
O=C(CSCc1cccnc1)NCCc1cccc(O)c1	160231167	PQFLXYJRTWVGNZ-UHFFFAOYSA-N	302.399	2.379	70	20	DEID	
CN[C@@H]1CCN(C(=O)c2cc(NC(=O)C(C)C)ccc2Cl)C1	160810852	HPOBNPJPTHSDER-GFCCVEGCSA-N	323.824	2.368	70	20	DEID	
CC(C)(C)S(=O)(=O)CC(=O)N1CCCc2ccc(F)cc21	160947575	HMOQAQMUQBCTNO-UHFFFAOYSA-N	313.394	2.318	70	20	DEID	
CCOc1ccccc1CCNC(=O)NCc1cnn(C)c1C	160967649	QOISALRYQMYWTH-UHFFFAOYSA-N	316.405	2.169	70	20	DEID	
Cc1ccc(NC(=O)C(=O)NCCc2cccc(Cl)c2)cn1	159818040	PFEBLUXCCOWRBB-UHFFFAOYSA-N	317.776	2.341	70	20	DEID	
Cc1cccc(NC(=O)CN(C)C(=O)[C@H]2CCCCO2)c1C	159891370	DJOBAMUUXHKHCR-OAHLLOKOSA-N	304.390	2.269	70	20	DEID	
Cc1cc(NC(=O)[C@H](C)N2CCc3ccccc3C2)c[nH]c1=O	159559149	NLDFJNOACXMMGK-ZDUSSCGKSA-N	311.385	2.069	70	20	DEID	
CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H]1CCN(C(C)=O)C1	159562538	ODXHPWIAZKRTJS-TZMCWYRMSA-N	324.808	2.234	70	20	DEID	
C[C@@H](C(=O)N(C)c1ccccc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O	161069653	XWIDKZNTIIRRPZ-AEGPPILISA-N	314.385	2.213	70	20	DEID	
CCN(c1ccc(C(=O)NCC[C@@H](O)COC)cc1)C(C)C	161144785	KDEDLJUCBBSPPN-MRXNPFEDSA-N	308.422	2.049	70	20	DEID	
COCCc1nsc(NCc2cccc(C(=O)OC)c2)n1	161215166	RZTVSBPFDTYOPD-UHFFFAOYSA-N	307.375	2.126	70	20	DEID	
C[C@@H]1C[C@@H](C)CN(C[C@@H](C)NC(=O)[C@@H](O)c2ccccc2)C1	161489531	UGOURROCLNPOEC-ANQUJSFKSA-N	304.434	2.203	70	20	DEID	
CCc1ccc([C@@H](C)CC(=O)N[C@H]2CCN(C(N)=O)C2)cc1	160018230	AFOGCGZQPLIMET-WFASDCNBSA-N	303.406	2.012	70	20	DEID	
CC[C@H](C)N(C)CCN[C@@H](C)Cn1cc(Br)cn1	160105537	FHRYZMCACUWOPK-RYUDHWBXSA-N	317.275	2.354	70	20	DEID	
CCOC(=O)C[C@@H](C)NC(=O)CCCc1nc2ccccc2[nH]1	160127028	YKMLGTIZIKBGFL-GFCCVEGCSA-N	317.389	2.344	70	20	DEID	
CC(C)(C)NC(=O)CNC(=O)C1(Cc2ccccc2)CCC1	160156879	QZJDGAMZCVQUKM-UHFFFAOYSA-N	302.418	2.430	70	20	DEID	
CC(C)NC(=O)c1ccc(NC(=O)C2(O)CCSCC2)cc1	160168461	UHIOMUXNIYZTND-UHFFFAOYSA-N	322.430	2.021	70	20	DEID	
C[C@H](CNC(=O)N[C@H](C)CCC(C)(C)C)CN1CCOCC1	160414605	LHDQEWIHIQNBQW-HUUCEWRRSA-N	313.486	2.469	70	20	DEID	
COC[C@@H](NCc1ccc(CN2CCOCC2)cc1)C(C)C	160619545	JEUNRHTVWXKTHP-GOSISDBHSA-N	306.450	2.279	70	20	DEID	
CN(CC1CCOCC1)C(=O)NC1CCN(C2CCCC2)CC1	159656267	GHRIDQOPGNIERN-UHFFFAOYSA-N	323.481	2.461	70	20	DEID	
CCC(CC)(CNCC(=O)N1[C@H](C)CCC[C@H]1C)C(=O)OC	159658405	NAGFKFFPFMCULJ-ZIAGYGMSSA-N	312.454	2.345	70	20	DEID	
O=C(Nc1cccnc1)C(=O)N[C@@H]1CCCOc2ccccc21	159498362	LQMKFJCHDQVXHF-CQSZACIVSA-N	311.341	2.050	70	20	DEID	
CC(C)[C@@H](C(=O)NCCNC1CCCCCC1)N1CCCC1=O	159704696	WAMAMQMRCOOCKN-KRWDZBQOSA-N	323.481	2.062	70	20	DEID	
Cc1cnc2c(c1)N(C(=O)CCc1cncc(F)c1)CCO2	159524902	ZFIJVCXOEIXIOZ-UHFFFAOYSA-N	301.321	2.282	70	20	DEID	
Cc1ccc(C)c(-n2ncc(C(=O)NCC(C)(C)O)c2C)c1	159756452	NOHDZINGXWSXPH-UHFFFAOYSA-N	301.390	2.298	70	20	DEID	
COC1(CNC(=O)Nc2ccnc(C)c2Cl)CCOCC1	159764799	QAXKTECNXQXDRL-UHFFFAOYSA-N	313.785	2.361	70	20	DEID	
COc1ccc(CN(C)S(=O)(=O)c2cccs2)cc1O	159790847	DLDGUJIQELLLGW-UHFFFAOYSA-N	313.400	2.283	70	20	DEID	
COC[C@H](C)CC(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	857674737	OEBIGDZLDXPNOY-MRVPVSSYSA-N	307.318	2.095	70	20	DEID	
COc1cc(C)ccc1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1336420674	YNHCCMCNZDBKDO-UHFFFAOYSA-N	312.322	2.242	70	20	DEID	
C[C@@H]1CCCC[C@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1262673724	ZZQDRVFYALEHCF-ZJUUUORDSA-N	302.371	2.229	70	20	DEID	
C[C@H]1CN(C(=O)CC2CCNCC2)[C@H](c2ccccc2)CO1	161087900	BAUDSCOZAFHVLD-YOEHRIQHSA-N	302.418	2.365	70	20	DEID	
CC(C)CCn1ccc(NC(=O)NCCOC[C@H]2CCCO2)n1	161148688	BKTSDVJEFAJWEV-CQSZACIVSA-N	324.425	2.246	70	20	DEID	
COC[C@H](O)CCNC(=O)C(C)(C)Oc1ccc(Cl)cc1	161222056	AAYYQNLVYWAGQH-GFCCVEGCSA-N	315.797	2.011	70	20	DEID	
CCN(CC(C)C)C(=O)[C@H](C)S(=O)(=O)c1ccc(F)cc1	160048604	QFJICDOHQHNDJI-LBPRGKRZSA-N	315.410	2.492	70	20	DEID	
COCCOCCC(=O)O[C@H](c1ccccn1)C(F)(F)F	160157009	BOPWVRKVRBTWEN-GFCCVEGCSA-N	307.268	2.281	70	20	DEID	
O=C(c1cc[nH]n1)N1CCN(c2ccc(C(F)(F)F)cc2)CC1	160377635	PXXPUGJQVXEZQL-UHFFFAOYSA-N	324.306	2.391	70	20	DEID	
Cn1c(=O)[nH]c2ccc(C(=O)N(Cc3ccncc3)C3CC3)cc21	160525670	MMLRKPNQPRYKKF-UHFFFAOYSA-N	322.368	2.066	70	20	DEID	
CCCC1(CNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)CC1	160728452	ZVTBFIVNULUJFV-CYBMUJFWSA-N	304.390	2.325	70	20	DEID	
COC(=O)Cc1csc(NC(=O)c2cc(F)ccc2OC)n1	160868550	NRTSIKBKRFEZAO-UHFFFAOYSA-N	324.333	2.259	70	20	DEID	
O=C(C[C@H]1CCOc2ccccc21)N1C[C@@H]2CCC[C@H](C1)N2	159416484	GAFFWJXHHZFRLJ-KFWWJZLASA-N	300.402	2.296	70	20	DEID	
CCOC(=O)CN(C)[C@@H]1CCCN(c2ccccc2Cl)C1=O	159705016	YFGBREBEZXARJH-CQSZACIVSA-N	324.808	2.330	70	20	DEID	
O=S(=O)(Cc1ccccc1F)NC[C@H](O)C1CCCCC1	159546121	MSJRYIZZGBJLHK-HNNXBMFYSA-N	315.410	2.186	70	20	DEID	
CCN1CCCN(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)CC1	159549312	MDIQSCRTPAXPFT-ZDUSSCGKSA-N	315.421	2.361	70	20	DEID	
CCN1CCN([C@H]2CCN(c3nc(C(C)(C)C)ns3)C2)CC1	159370440	QAADDKIDIQNKIO-ZDUSSCGKSA-N	323.510	2.052	70	20	DEID	
O=C(Nc1cnc(C2CC2)nc1)N[C@H]1c2ccccc2C[C@@H]1O	159584910	ODHSCEADXMNNDI-GJZGRUSLSA-N	310.357	2.134	70	20	DEID	
CN(CCNS(=O)(=O)c1ccccc1)OCc1ccccc1	159592084	NXJHXVCHZUFHAK-UHFFFAOYSA-N	320.414	2.029	70	20	DEID	
C/C(=C\C(=O)N1CCC(CNC(=O)C(F)(F)F)CC1)C1CC1	216743753	OACMFGDAIVEMFQ-CSKARUKUSA-N	318.339	2.260	70	20	DEID	
COc1cc(NC(=O)Nc2ncccn2)cc(OC)c1OC	217268242	ITVURWYJJBBJKP-UHFFFAOYSA-N	304.306	2.146	70	20	DEID	
O=C(Nc1cccc(S(=O)(=O)F)c1)c1ccnc(C2CC2)n1	460092816	NFDSWRAKLIFDAT-UHFFFAOYSA-N	321.333	2.265	70	20	DEID	
O=C([C@H]1CCCO1)N1CCN(C/C=C/c2ccc(F)cc2)CC1	161013317	PWDBFABYSVLTRN-XKKXFUJGSA-N	318.392	2.162	70	20	DEID	
CCc1c(C(=O)N[C@@H]2CCC[C@@H](N)C2)cnn1-c1ccccc1	161502242	BRBWSKUBFKGHMR-ZIAGYGMSSA-N	312.417	2.434	70	20	DEID	
CS[C@H](C)CNC(=O)NCCOc1ncccc1Cl	160395127	BVDAAGNRVQAAAW-SECBINFHSA-N	303.815	2.165	70	20	DEID	
CCCNC(=O)[C@H](C)[S@](=O)c1ncc(C(C)(C)C)s1	160445696	WOAFRDNRUPYDLE-ZRNGKTOUSA-N	302.465	2.463	70	20	DEID	
C[C@H](c1nc(Cc2ccccc2)no1)N(C)C[C@H](O)C1CC1	160752592	RSVPOGSJUGWNHE-DOMZBBRYSA-N	301.390	2.424	70	20	DEID	
CCC(CC)(CNCC(=O)Nc1cccc(F)c1)C(=O)OC	159669667	PWSYIMSFVVKYFA-UHFFFAOYSA-N	310.369	2.333	70	20	DEID	
COC(=O)[C@@H](NCCC(F)(F)F)c1cc(OC)cc(OC)c1	159731485	LGPBIJVVXZRWKR-LBPRGKRZSA-N	321.295	2.460	70	20	DEID	
CS(=O)(=O)c1ccc(N2CCC(n3ccnc3)CC2)cc1	159365084	CFJJMLQVKCSHFL-UHFFFAOYSA-N	305.403	2.128	70	20	DEID	
NC(=O)CC1CCN(Cc2c[nH]nc2-c2cccs2)CC1	159753805	ABEKUZOHMULGDX-UHFFFAOYSA-N	304.419	2.226	70	20	DEID	
CC(=O)N1CC[C@H](NC(=O)c2ccc(Oc3ccccc3)o2)C1	159562960	RZYIEOLYWDPYKM-ZDUSSCGKSA-N	314.341	2.423	70	20	DEID	
Cc1cccc(CS(=O)(=O)NCc2ccccc2CO)c1	159760865	BVAACEBGAODELT-UHFFFAOYSA-N	305.399	2.107	70	20	DEID	
NC[C@H]1CCCN1C(=O)CSc1nc2ccccc2s1	160271583	ABSASKTZUMVVNN-SNVBAGLBSA-N	307.444	2.338	70	20	DEID	
CC[C@@H](C)[C@H](CNC(=O)c1ccc(S(=O)(=O)F)cc1)OC	864244185	NBZKNWHQVPDRKN-MFKMUULPSA-N	317.382	2.136	70	20	DEID	
C[C@H](CCO)CNC(=O)CCCc1nc(-c2cccs2)no1	161072007	WIGYFNSXPZHANA-LLVKDONJSA-N	323.418	2.256	70	20	DEID	
CCNCC1CCN(C(=O)[C@@H](C(C)C)N2CCCCC2)CC1	161087950	CZEIFJQYFIXDSQ-QGZVFWFLSA-N	309.498	2.345	70	20	DEID	
C[C@@H](CC(=O)NCc1csc(N(C)C)n1)c1ccncc1	161223120	RSKJRHYOBZYOKG-NSHDSACASA-N	304.419	2.414	70	20	DEID	
CC(C)C[C@@H](N)C(=O)NCCc1ccn(-c2ccc(F)cc2)n1	161302603	ATIUBJAHWIFRSP-MRXNPFEDSA-N	318.396	2.044	70	20	DEID	
COCCOc1cc(C)ccc1NC(=O)N[C@]1(C)CCOC1	161385350	QETQJPGLGNROMU-MRXNPFEDSA-N	308.378	2.321	70	20	DEID	
CC(=O)NC1CCC(NC[C@H](C)N2CCc3ccccc32)CC1	161390940	MJHFSKGZWDCWSS-NNGSBXSVSA-N	315.461	2.475	70	20	DEID	
CC(C)c1noc2nc(C3CC3)cc(C(=O)N3CC(O)C3)c12	161420347	TVFDZDYTQRHHJB-UHFFFAOYSA-N	301.346	2.040	70	20	DEID	
CCC(=O)N1CC[C@@H](C(=O)NCCCCc2nc(C)cs2)C1	161467527	BXVCKPORCNJROO-CYBMUJFWSA-N	323.462	2.149	70	20	DEID	
COc1ccc(F)cc1[C@H](C)NC(=O)[C@@H]1CCn2ccnc2C1	160094340	KAGLGPJUJCUJHC-NWDGAFQWSA-N	317.364	2.471	70	20	DEID	
Cc1noc(C)c1CNC(=O)Nc1ccn(CC(F)(F)F)n1	160407751	SNAUJCKJYZHTMJ-UHFFFAOYSA-N	317.271	2.372	70	20	DEID	
COc1ccc(-n2ccc(C(=O)N[C@H](CCO)C(C)C)n2)cc1	160534683	YVTZUWNWYQGFHA-OAHLLOKOSA-N	317.389	2.018	70	20	DEID	
CCS(=O)(=O)c1cccc(CC(=O)NC[C@H]2CC=CCC2)c1	159409495	JDQQLYPOZCWZET-AWEZNQCLSA-N	321.442	2.495	70	20	DEID	
CC[C@@H]1CN(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)C[C@H](C)O1	159802263	MJKOSTKAOFEABM-JOYOIKCWSA-N	308.378	2.058	70	20	DEID	
NC(=O)c1csc(C(=O)N[C@@H]2CCOC3(CCCC3)C2)c1	159613323	JGAFCWDVLRXWFB-LLVKDONJSA-N	308.403	2.069	70	20	DEID	
CC[C@@H](O)CCNC(=O)Cc1cccc(OCC(F)(F)F)c1	159437150	RYWQOFZNCZCKBY-GFCCVEGCSA-N	319.323	2.447	70	20	DEID	
COc1ccc(NC(=O)N2CCc3ncncc3C2)c(OC)c1	218070134	QEOVMTJLCMGKTF-UHFFFAOYSA-N	314.345	2.084	70	20	DEID	
CCc1cccc(CC(=O)N2CCC(N(C)C(C)=O)CC2)c1	161440613	XEHBYWWVVVZPIZ-UHFFFAOYSA-N	302.418	2.261	70	20	DEID	
CC(C)n1cc(NC(=O)N[C@@H](CO)Cc2ccccc2)cn1	161501991	NCRKKAAQOYJWMB-CQSZACIVSA-N	302.378	2.189	70	20	DEID	
CCc1nnsc1C(=O)NC[C@@H](C[C@@H](C)O)c1ccccc1	160182493	QYSCRSCAKAINEX-DGCLKSJQSA-N	319.430	2.385	70	20	DEID	
CCCc1nnc(NC(=O)c2cccc3[nH]c(=O)oc23)s1	160358375	WISXRTSNSWOEPW-UHFFFAOYSA-N	304.331	2.177	70	20	DEID	
O=C(CNC[C@@H]1CCCO1)NC1(c2cccc(Cl)c2)CC1	160522237	GSVZSUBUBXELJH-AWEZNQCLSA-N	308.809	2.214	70	20	DEID	
COC(=O)CC1(NCCC(=O)c2ccc(C)cc2)CCOCC1	160702956	YNYGQAZTXQJQDU-UHFFFAOYSA-N	319.401	2.270	70	20	DEID	
C[C@@H](CC(=O)N[C@](C)(C(N)=O)c1ccccc1)c1ccncc1	159830057	SGWKQFJFXMBZDH-UGSOOPFHSA-N	311.385	2.092	70	20	DEID	
Cc1ccc(C[C@H](C)NS(=O)(=O)C[C@@H]2CCCCO2)s1	159644859	UNIZEDJDXDCKEB-AAEUAGOBSA-N	317.476	2.476	70	20	DEID	
C[C@H]1CN(C(=O)Nc2ccc(C(C)(C)C(N)=O)cc2)CCS1	159920588	PWAPJNJWRRDHNP-NSHDSACASA-N	321.446	2.419	70	20	DEID	
O=C(c1ccc(F)cc1OC(F)F)N1C[C@@H]2CCC[C@H](C1)N2	159925856	UMOWVMZASLCXSX-PHIMTYICSA-N	314.307	2.394	70	20	DEID	
CCCCn1ncc(NC(=O)NCCC(=O)N[C@@H](C)CC)c1C	159731952	UNMUQRDHWCKEPL-LBPRGKRZSA-N	323.441	2.418	70	20	DEID	
Cc1cc(Br)ccc1CNC(=O)[C@@H]1CSCN1	159544156	RXVNREGOGOCHDN-NSHDSACASA-N	315.236	2.036	70	20	DEID	
CCCCOCC(=O)Nc1cccn(CC(F)(F)F)c1=O	159781647	QWQYMMZVFGEINZ-UHFFFAOYSA-N	306.284	2.166	70	20	DEID	
Cc1noc(C)c1CC(=O)Nc1cccc(S(=O)(=O)F)c1	460098329	ZPPGCBMAKLOWCS-UHFFFAOYSA-N	312.322	2.131	70	20	DEID	
CC(C)(C)C1=CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1123648098	GAYNWDPDLPXVAT-UHFFFAOYSA-N	314.382	2.491	70	20	DEID	
Cc1cccc2c1N(C(=O)c1cc(S(=O)(=O)F)c[nH]1)CC2	1338251602	YNACKFDRODGZIR-UHFFFAOYSA-N	308.334	2.184	70	20	DEID	
CC1(c2ccccc2)CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1348817657	OLTADWJTRJIBJN-UHFFFAOYSA-N	322.361	2.087	70	20	DEID	
Cc1noc([C@H]2COCCN2CCOC2CCCCCC2)n1	161044295	RQNUPINKOXNVNQ-OAHLLOKOSA-N	309.410	2.491	70	20	DEID	
CNC[C@@H]1CCCN1C(=O)[C@H]1COc2ccc(Cl)cc2C1	161160928	LZVRTJJMBNNUBG-OCCSQVGLSA-N	308.809	2.102	70	20	DEID	
COC[C@H](O)CCNC(=O)c1cc(-c2ccc(Cl)cc2)on1	161221409	AZVIRURVOYXMMD-GFCCVEGCSA-N	324.764	2.122	70	20	DEID	
COCc1ccc([C@@H]2CCCN2C(=O)Cc2ccn(C)n2)o1	161279796	BHGBLUBFKNOGHC-AWEZNQCLSA-N	303.362	2.066	70	20	DEID	
CCc1ccc(/C=C/C(=O)N(CCS(C)(=O)=O)C(C)C)o1	161362088	PCRNYYXFLRGCIV-CMDGGOBGSA-N	313.419	2.137	70	20	DEID	
COCc1ccc([C@H]2CCCN2C(=O)COC[C@@H]2CCOC2)o1	161371949	IAHHZYWEGQUJDA-UKRRQHHQSA-N	323.389	2.143	70	20	DEID	
CC(=O)c1ccc(C(=O)N[C@H]2CCN(c3ccccn3)C2)cc1	161373380	FMLFXBYSOUPZNQ-INIZCTEOSA-N	309.369	2.293	70	20	DEID	
Cc1cc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)ncn1	161394099	FNIYDELLWLRFPP-UHFFFAOYSA-N	310.357	2.273	70	20	DEID	
CN(C)c1ccc(C(=O)NCc2csc(N(C)C)n2)c(F)c1	160014205	KXPFYSVLFMYCKN-UHFFFAOYSA-N	322.409	2.344	70	20	DEID	
Cc1ccc2c(c1)[C@H](NC(=O)N(C)CC1CCOCC1)CO2	160051681	PVOPPJSLWZOIND-OAHLLOKOSA-N	304.390	2.497	70	20	DEID	
CC[C@@H](NC(=O)CCOC[C@@H]1CCCO1)c1c(C)noc1C	160126494	XUNIAYYXAPAINV-UONOGXRCSA-N	310.394	2.444	70	20	DEID	
C[C@](O)(CNc1ncnc2nc[nH]c12)c1ccccc1Cl	160197602	HBDBVJLMLZJFCC-AWEZNQCLSA-N	303.753	2.326	70	20	DEID	
C[C@H](NCCS(=O)(=O)c1ccc(F)cc1)c1ccncc1	160550287	XJZLTWQSVWEXOO-LBPRGKRZSA-N	308.378	2.345	70	20	DEID	
Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C)(O)CC2)c1C	160623528	OCFSCMABZFWRCH-UHFFFAOYSA-N	311.447	2.456	70	20	DEID	
CS(=O)(=O)c1ccc(CNC(=O)N2CCC3(CCC3)C2)cc1	160628716	SZVIIIOQORBEIO-UHFFFAOYSA-N	322.430	2.176	70	20	DEID	
CCCN(CC)c1ccc(C(=O)N[C@H](CO)CC(C)C)cn1	160865918	UELDBCAFWKFNTE-HNNXBMFYSA-N	307.438	2.455	70	20	DEID	
CC(C)c1cc(=O)n(CC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cn1	160901489	JRVINFYLECBLCI-BFHYXJOUSA-N	305.422	2.308	70	20	DEID	
C[C@@H](Sc1nncn1C)C(=O)N1CCc2c(F)cccc2C1	160970246	XKOMXSWLCDGTKW-SNVBAGLBSA-N	320.393	2.020	70	20	DEID	
Cc1cc(S(=O)(=O)NCC2(O)CCCCCC2)ccc1F	160983918	RXAGNDAHJWURLJ-UHFFFAOYSA-N	315.410	2.498	70	20	DEID	
COC1(CNC(=O)c2cc3ccccc3cc2O)CCOCC1	159424534	QUTODJOFZUHZDW-UHFFFAOYSA-N	315.369	2.471	70	20	DEID	
CN(C(=O)N[C@H]1CCCSC1)[C@@H]1CCCc2c1cnn2C	159427547	VCXMVGUCHLNIQI-WCQYABFASA-N	308.451	2.335	70	20	DEID	
CCN1CCCN(C(=O)NCCCN2C[C@@H](C)C[C@@H](C)C2)CC1	159626588	NHQQLOZUXCCABH-CALCHBBNSA-N	324.513	2.092	70	20	DEID	
CCc1cccc2c(CCNC(=O)N[C@@H](C)CCO)c[nH]c12	159650534	SWHSIVFXFXMKAT-LBPRGKRZSA-N	303.406	2.343	70	20	DEID	
Cc1ccc(NC(=O)N(CCS(C)(=O)=O)C2CC2)c(F)c1	159976053	UXBAACVHXZTITM-UHFFFAOYSA-N	314.382	2.175	70	20	DEID	
CCCN(CCN(C)C)C(=O)c1cc2c(cc1F)NC(=O)CC2	159393337	ZFKPFNGGCOEFIB-UHFFFAOYSA-N	321.396	2.124	70	20	DEID	
COc1cccc(NC(=O)N2CCc3ncncc3C2)c1OC	218070334	DETCYJUEABDFRH-UHFFFAOYSA-N	314.345	2.084	70	20	DEID	
CO[C@H]1CCC[C@H](C(=O)Nc2ccc(S(=O)(=O)F)cc2)C1	460087550	AUNUXVBMTXSENV-JQWIXIFHSA-N	315.366	2.489	70	20	DEID	
C[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)c1ccsc1	1262787758	HWQFVYKKAFIBGO-SSDOTTSWSA-N	302.352	2.225	70	20	DEID	
CC(C)OCC(C)(C)NC(=O)c1cccc(S(=O)(=O)F)c1	1349547376	VCLLAAWKQAKSGN-UHFFFAOYSA-N	317.382	2.278	70	20	DEID	
CC(C)OCCCNS(=O)(=O)Cc1c(F)cccc1F	160031834	QFEMNULOQAJDNT-UHFFFAOYSA-N	307.362	2.199	70	20	DEID	
C[C@]1(O)CCCN(C(=O)NCc2ccccc2OC(F)F)C1	160093782	IFBMWAMYJQUKTI-HNNXBMFYSA-N	314.332	2.344	70	20	DEID	
CCC1=NN(C)C(=O)[C@H]1C(=O)Nc1ccc(Br)cc1	160126768	GVXLFDGUZBPRET-LLVKDONJSA-N	324.178	2.242	70	20	DEID	
CS(=O)(=O)Cc1ccc(NC(=O)[C@H]2C[C@H]2C2CC2)cc1F	160444109	MGTTWXQQSZXLGD-STQMWFEESA-N	311.378	2.355	70	20	DEID	
COC[C@H](NC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1)C1CC1	160470520	BMARHGUNDQKXGV-CVEARBPZSA-N	320.389	2.401	70	20	DEID	
COc1ccc2c(c1)OC[C@H](C(=O)N(C)Cc1cccn1C)C2	160710580	LIJZVYUBLOUGQX-CQSZACIVSA-N	314.385	2.243	70	20	DEID	
CC(C)c1cc(=O)n(CC(=O)N(C)[C@@H]2CCCC[C@H]2C)cn1	160876247	CBGUKGPLVJATJY-UKRRQHHQSA-N	305.422	2.404	70	20	DEID	
Cc1ncc(/C=C/C(=O)NS(=O)(=O)c2ccsc2)s1	159850232	HCSMVGCJFDJLCF-NSCUHMNNSA-N	314.413	2.031	70	20	DEID	
CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)N(CCN(C)C)C(C)C	159464050	BHGVRBXYMPQYEX-CVEARBPZSA-N	313.486	2.419	70	20	DEID	
COc1cc(C(=O)N[C@H](C)CN2CCCCC2)cc(OC)c1O	159900161	AECQSGOLNTYPPA-GFCCVEGCSA-N	322.405	2.014	70	20	DEID	
CCN(CC)C(=O)CN(C)c1cc(COC)nc(C(C)(C)C)n1	159728820	WNDCKDXUJJDRON-UHFFFAOYSA-N	322.453	2.225	70	20	DEID	
COC(=O)C1(N(C)CC(=O)Nc2cccc(OC)c2)CCCC1	159369206	QWIKZZCRYXJCKN-UHFFFAOYSA-N	320.389	2.051	70	20	DEID	
CO[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(Cl)cc1F	159993256	GSCRQRVQFLVNGB-VXGBXAGGSA-N	314.744	2.101	70	20	DEID	
C[C@@H]1C[C@@H](C(=O)Nc2cccc(S(=O)(=O)F)c2)CCC1=O	460097537	WQFYSANWMDKFSG-ZJUUUORDSA-N	313.350	2.289	70	20	DEID	
COCCCCC(=O)Nc1ccc(F)c(CS(=O)(=O)F)c1	876319307	RGQMKNFBQKNEPK-UHFFFAOYSA-N	321.345	2.380	70	20	DEID	
C[C@H](Cc1cccs1)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1263716569	GTBYIUPAVYBYBL-MRVPVSSYSA-N	316.379	2.095	70	20	DEID	
Cc1nn(-c2ccccc2)c(C)c1C(=O)N[C@@H]1CCC[C@H](N)C1	161163344	WADGWYSANRMNLV-LSDHHAIUSA-N	312.417	2.489	70	20	DEID	
Cn1cccc1C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1	161281403	VBHWKYXGCPWRQZ-LBPRGKRZSA-N	307.394	2.154	70	20	DEID	
Cn1cc(NC(=O)NC[C@](C)(O)c2ccccc2Cl)cn1	161361717	SZKVGWOKDBXWEA-AWEZNQCLSA-N	308.769	2.103	70	20	DEID	
CSCC[C@@H](N)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21	161397572	WRWRFTMBTRRYMY-CHWSQXEVSA-N	308.447	2.485	70	20	DEID	
Cc1cc(C)n([C@H](C)C(=O)N(C)c2ccc3c(c2)OCO3)n1	160085570	NCXURSIPMZJMDK-GFCCVEGCSA-N	301.346	2.453	70	20	DEID	
O=C1Cc2cc(NC(=O)[C@@H]3OCCc4ccccc43)ccc2N1	160101677	BTTIGRQXDUAWML-QGZVFWFLSA-N	308.337	2.434	70	20	DEID	
CC[C@@H]1CCCCN1CCNC(=O)N(C)Cc1cccn1C	160474420	FNQZWMZQLLSGSZ-OAHLLOKOSA-N	306.454	2.431	70	20	DEID	
CN(CCc1ccncc1)C(=O)N[C@H]1CCO[C@@H](C2CC2)C1	160484628	NQBJXCBRAOZXRI-JKSUJKDBSA-N	303.406	2.223	70	20	DEID	
CCc1[nH]c(C(=O)N(C)Cc2cccn2C)c(C)c1C(=O)OC	160684662	IQOYULBDPMMUOQ-UHFFFAOYSA-N	317.389	2.283	70	20	DEID	
CN(C[C@H]1CCCOC1)C(=O)Nc1ccn(CC(F)(F)F)n1	160730196	IKZFXONGSYSQFB-SNVBAGLBSA-N	320.315	2.336	70	20	DEID	
COCCN(C)C(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1	160731289	KGJVQUYKEOPURT-UHFFFAOYSA-N	317.389	2.163	70	20	DEID	
CCC[C@H](CCO)CNC(=O)Nc1cc(C(=O)OC)cs1	160783781	CDHBENZSNRBVNZ-SNVBAGLBSA-N	314.407	2.455	70	20	DEID	
O=C(C=C1CCC1)NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2	159431751	CLEKCLCZQDQFQC-ZDUSSCGKSA-N	323.776	2.371	70	20	DEID	
O=C(c1cccc(-n2ccnn2)c1)N1CCOC2(CCCC2)C1	159710426	UCEPJHLCPSFHHB-UHFFFAOYSA-N	312.373	2.053	70	20	DEID	
CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)CC[C@H](N)c1ccccc1	159540789	PFOWTDKWPDTNTJ-WTTBNOFXSA-N	302.418	2.396	70	20	DEID	
CC(=O)N1CCC[C@H](C(=O)NCCc2cc3ccccc3[nH]2)C1	159545773	IUQCYRFRFXRXDI-HNNXBMFYSA-N	313.401	2.085	70	20	DEID	
CC1CCC(N(C)C(=O)CSCCN2CCOCC2)CC1	159759715	JWUMCJXIPRIMBW-UHFFFAOYSA-N	314.495	2.089	70	20	DEID	
Cc1cc(NC(=O)c2cnn(CCC(C)C)c2C)c[nH]c1=O	159394225	ZSBVYBTTZBJQNO-UHFFFAOYSA-N	302.378	2.487	70	20	DEID	
CCCCN(C)C(=O)Nc1nnc(CCCC(=O)OC)s1	160753669	CWSZTLKTCFWKOZ-UHFFFAOYSA-N	314.411	2.298	70	20	DEID	
CSCC[C@H](N)C(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1F	161022364	XNBMUAPFLJNRMQ-KPXOXKRLSA-N	300.374	2.017	70	20	DEID	
COc1ccc(CNC(=O)c2c(-c3ccccn3)noc2C)cn1	161058195	IPBFLOYZGZZUGS-UHFFFAOYSA-N	324.340	2.379	70	20	DEID	
Cc1cc(C[C@@H](C)NC(=O)c2ncccc2OCC(F)F)n[nH]1	161277768	KJAFMHMCQSRASD-SECBINFHSA-N	324.331	2.118	70	20	DEID	
CC(=O)NC1CCC(Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1	161328334	WOPWRNNPTSOOSC-QFWMXSHPSA-N	317.389	2.265	70	20	DEID	
CCC(C)(C)C(=O)N[C@H]1CCN(c2ccccc2OC)C1=O	161376592	OCDROMKIJCNVAT-LBPRGKRZSA-N	304.390	2.353	70	20	DEID	
C[C@@H]1CCC[C@H](NC(=O)CSc2ncnc3[nH]cnc23)[C@@H]1C	161391876	DNQPPAYWMBVQNA-MXWKQRLJSA-N	319.434	2.386	70	20	DEID	
COc1cccc2c1CC[C@@H]2NC(=O)CCNC(=O)C(C)(C)C	160105805	FNDSFKCHVAPREG-AWEZNQCLSA-N	318.417	2.351	70	20	DEID	
CCC[C@H](C)CC(=O)N[C@@H]1CCN(C(=O)c2ccccn2)C1	160149722	VWFIWFOQTGBWRZ-UONOGXRCSA-N	303.406	2.239	70	20	DEID	
CCC(CC)N(CCOC)C(=O)N[C@H]1CCN(CC2CC2)C1	160754109	IMXXXARRPJNOBP-HNNXBMFYSA-N	311.470	2.317	70	20	DEID	
CCc1ccc(/C=C/C(=O)NCCCNC(=O)C2CCC2)o1	160781366	RSZNJYGXOHWYRS-MDZDMXLPSA-N	304.390	2.278	70	20	DEID	
CCOCCNC(=O)CNc1cc(F)ccc1Br	159628433	KGPBMDNREZSOCC-UHFFFAOYSA-N	319.174	2.153	70	20	DEID	
Cc1nc2n(n1)C[C@@H](NC(=O)Nc1ccnc(C)c1Cl)CC2	159471516	HEQMZVLAEUABDY-JTQLQIEISA-N	320.784	2.080	70	20	DEID	
CCc1ccc(/C=C/C(=O)N2CSC[C@@H]2C(=O)N(C)CC)o1	159924587	MDPSUUSNIDJGPW-MYSGNRETSA-N	322.430	2.235	70	20	DEID	
CN(C(=O)NC[C@]1(C)CCCO1)[C@H]1CCCc2c1cnn2C	159548800	IWINIRQMCSGOHT-BBRMVZONSA-N	306.410	2.008	70	20	DEID	
Cc1cc(C)n2nc(C)c(C(=O)N[C@@H](CO)CC(C)(C)C)c2n1	159946762	ZXTDZJQROPQDIL-CYBMUJFWSA-N	318.421	2.181	70	20	DEID	
CC[C@H]1CCCN(C(C)(C)CNC(=O)c2ccc(OC)nn2)C1	159752372	JHAMBVFESGAHLI-ZDUSSCGKSA-N	320.437	2.116	70	20	DEID	
O=C([C@@H]1CCCNC1)N(Cc1ccccc1)CC1CCOCC1	159658869	PRFCAHCAGAGUHU-GOSISDBHSA-N	316.445	2.441	70	20	DEID	
CC(C)N1C[C@H](NC(=O)N2c3ccccc3C[C@H]2C)CC1=O	217288910	IMDVTOKFWRHKLZ-TZMCWYRMSA-N	301.390	2.157	70	20	DEID	
CN(Cc1cccn1C)C(=O)c1ccc(Br)cn1	160639337	BBFYSDDWFPYNFM-UHFFFAOYSA-N	308.179	2.455	70	20	DEID	
COc1cc(C)cnc1C(=O)Nc1cccc(S(=O)(=O)F)c1	460094316	PKAOLTKUOQJZHA-UHFFFAOYSA-N	324.333	2.309	70	20	DEID	
O=C(Nc1ccc(S(=O)(=O)F)c(F)c1)[C@H]1CCSC1	857674889	UJINPLRRBFEXIC-ZETCQYMHSA-N	307.343	2.176	70	20	DEID	
O=C(c1ccc(S(=O)(=O)F)cc1)N(CC(F)F)C1CC1	864239786	OXVNEMQXWWZITL-UHFFFAOYSA-N	307.293	2.215	70	20	DEID	
CCC(O)(CC)CNC(=O)Nc1ccc(-c2ncn(C)n2)cc1	161032869	WAUCMYTZCZEUIO-UHFFFAOYSA-N	317.393	2.155	70	20	DEID	
COCc1ccc([C@H]2CCCN2C(=O)COC[C@H]2CCCO2)o1	161334617	OVTMRYLKIRWPSZ-UKRRQHHQSA-N	323.389	2.285	70	20	DEID	
Cc1cc(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)ncn1	161349614	KRMQBZZWYNFFKA-AWEZNQCLSA-N	324.384	2.276	70	20	DEID	
O=C(Nc1ccc(F)c(Cl)c1)N[C@H]1CCc2ncnn2C1	161350238	UMFSQZZXPOKLQR-VIFPVBQESA-N	309.732	2.207	70	20	DEID	
O=C(N[C@H]1CCN(c2ccccn2)C1)c1csc(C2CC2)n1	161429858	ALZXPTSVVZYQBB-LBPRGKRZSA-N	314.414	2.424	70	20	DEID	
Cc1nn(C)c2ncc(NC(=O)N3CCC[C@H]3C[C@@H](C)O)cc12	160101718	LVQXEPXLWULXON-MFKMUULPSA-N	317.393	2.044	70	20	DEID	
CCn1ccnc(NC[C@](C)(O)c2ccccc2Cl)c1=O	160165689	MXEDTKWGNRWDCV-HNNXBMFYSA-N	307.781	2.236	70	20	DEID	
CCOC(=O)C1(C(=O)N[C@@H]2CCO[C@H]2c2ccccc2)CCC1	160181630	MLEPWFLCTNAQGR-CABCVRRESA-N	317.385	2.366	70	20	DEID	
CN(C)CCC1CCN(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)CC1	160543577	HRIXHTISQOQIPZ-SJORKVTESA-N	323.481	2.317	70	20	DEID	
COc1ccc(NS(=O)(=O)c2cc(F)cc(F)c2)c(C)n1	160662075	XKRGNIHZAZYTMP-UHFFFAOYSA-N	314.313	2.478	70	20	DEID	
O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)N1CCC[C@H](O)C1	160757908	AJJWFKYNDCNYHF-HRCADAONSA-N	304.390	2.073	70	20	DEID	
CCCn1c(SCc2nncn2C)nnc1-c1ccncc1	160933982	CGLDUKCZZITUQX-UHFFFAOYSA-N	315.406	2.171	70	20	DEID	
CC[C@@H](NC(=O)Nc1ccc(C(=O)N(C)C)cc1)[C@H]1CCCO1	159673604	FOQVZSXRXZUICO-HUUCEWRRSA-N	319.405	2.468	70	20	DEID	
CCc1ccc([C@@H](COC)NC(=O)N2CCCN(CC)CC2)o1	159906462	FKKHQVZKGQBACL-OAHLLOKOSA-N	323.437	2.267	70	20	DEID	
CCOc1ncc(C(=O)Nc2c[nH]c(=O)c(C)c2)cc1Cl	159563154	QEPHWAYYHMHVMR-UHFFFAOYSA-N	307.737	2.383	70	20	DEID	
CC(C)(C)N1C[C@H](NC(=O)N2CCc3ccccc32)CC1=O	217286086	FJDSVZMUFDEPSG-CYBMUJFWSA-N	301.390	2.158	70	20	DEID	
Cc1cc([C@@H](C)NC(=O)c2cc(S(=O)(=O)F)c[nH]2)c(C)o1	1336991087	HYJISDPMSPPKDX-MRVPVSSYSA-N	314.338	2.374	70	20	DEID	
O=C(c1cc(S(=O)(=O)F)ccc1Cl)N1C[C@@H]2C[C@H]2C1	1355010137	OAAQTVZDFRVZQJ-YUMQZZPRSA-N	303.742	2.090	70	20	DEID	
O=S(=O)(F)c1ccc(N2CCC[C@@H]2[C@H]2CCCOC2)nc1	1550628267	KPZCTYWIIICSGC-WCQYABFASA-N	314.382	2.135	70	20	DEID	
COC(=O)C(C)(C)c1ccc(NC(=O)[C@@H]2CC[C@@H](N)C2)cc1	161040375	HSMWSTFUCIWIHP-DGCLKSJQSA-N	304.390	2.203	70	20	DEID	
Cc1conc1NC(=O)C(=O)N[C@@H]1CCC[C@H]1c1ccccc1	161160986	OKYDKMORUSXVMY-UONOGXRCSA-N	313.357	2.374	70	20	DEID	
CCc1ncc(NC(=O)NCCc2ccc3c(c2)OCO3)cn1	161186003	VBECBXKVMKGFDP-UHFFFAOYSA-N	314.345	2.132	70	20	DEID	
CC[C@@H](NCc1cccc(C(=O)NCCN(C)C)c1)C1CC1	161275701	LNXAKSAJZKNSHK-QGZVFWFLSA-N	303.450	2.256	70	20	DEID	
CCN(C)Cc1cccc(CNC(=O)[C@H](O)c2ccccc2)c1	161318062	RRVCQVMBRPOXFP-GOSISDBHSA-N	312.413	2.488	70	20	DEID	
O=C1C[C@H](CC(=O)N2CCC(C(=O)c3ccccc3)CC2)CO1	161319573	OOPPZZWJZYPQAN-ZDUSSCGKSA-N	315.369	2.061	70	20	DEID	
O=C(C[C@@H]1CCc2ccccc21)NC[C@@H](O)CN1CCCCC1	160178305	FCMJOLAFQPDVTH-DLBZAZTESA-N	316.445	2.070	70	20	DEID	
Cc1ccc(-n2cc(C(=O)N(C)Cc3cccn3C)nn2)cc1	160380335	ATUHGKNLNIEANJ-UHFFFAOYSA-N	309.373	2.186	70	20	DEID	
COc1ccc([C@@H](C)NCC(C)(C)O)cc1Cn1cccn1	160639699	UAXIIKDKUXLLPA-CYBMUJFWSA-N	303.406	2.362	70	20	DEID	
CC(C)c1cc(C(=O)NCC2(CO)CC2)nn1-c1ccccc1	160789034	VKSFURYWQWONLL-UHFFFAOYSA-N	313.401	2.498	70	20	DEID	
NC1(CNC(=O)c2ccc(Cn3cccn3)cc2)CCCCC1	159603778	QKKAKGGAOHSJRU-UHFFFAOYSA-N	312.417	2.323	70	20	DEID	
CCc1noc(C)c1CNc1ccc(C(=O)NCCCO)cc1	159457799	OWZDOMZPAIFBNN-UHFFFAOYSA-N	317.389	2.270	70	20	DEID	
CCOc1c(Cl)cc(C(=O)NC[C@@H](O)C(C)C)cc1OC	159745628	QLDZFGSVJOBFAL-GFCCVEGCSA-N	315.797	2.494	70	20	DEID	
O=C(Nc1cccc(S(=O)(=O)F)c1)c1ccnc(F)c1F	460090142	GSNACTBMGMEEDS-UHFFFAOYSA-N	316.260	2.270	70	20	DEID	
CCCCn1ncc(C(=O)N2CCC(C(=O)OC)CC2)c1C	161021144	PWHBSSVBANJKLP-UHFFFAOYSA-N	307.394	2.017	70	20	DEID	
CC(C)c1nn(C)c(Cl)c1C(=O)N1CCN(CC2CC2)CC1	161130567	VMGMOGUCVRTLGD-UHFFFAOYSA-N	324.856	2.365	70	20	DEID	
CN(C[C@@H]1CCC[C@H]1O)C(=O)NCCc1ccc(F)cc1F	161192543	VXZXZSMITJECPO-SWLSCSKDSA-N	312.360	2.310	70	20	DEID	
CCCNC(=O)Nc1ccc(CC(=O)Nc2cnn(C)c2)cc1	160024191	JBDWOYDYDQLVFS-UHFFFAOYSA-N	315.377	2.133	70	20	DEID	
CC(C)c1nnc(NC(=O)c2ccc3[nH]c(=O)n(C)c3c2)s1	160364985	AONXKRFEGQGIKH-UHFFFAOYSA-N	317.374	2.094	70	20	DEID	
Cc1c(C(=O)Nc2ccccc2C(N)=O)cnn1CC(C)C	160566610	ANYJALZXVDKDCY-UHFFFAOYSA-N	300.362	2.199	70	20	DEID	
O=C(NCCCNc1ccccc1)N[C@H]1CCN(CC2CC2)C1	160731749	GTMUTRHOFLYCFM-KRWDZBQOSA-N	316.449	2.272	70	20	DEID	
COc1cccc([C@@H](C)N[C@H](C)C(=O)NCC(F)(F)F)c1	159838283	UKRWFHDKJBAFPM-NXEZZACHSA-N	304.312	2.413	70	20	DEID	
CCN(CC)C(=O)NC[C@@H](Cc1ccccc1OC)C(=O)OC	159559142	OKGXBEZQRVMUBM-CQSZACIVSA-N	322.405	2.078	70	20	DEID	
O=C(N[C@H]1CCOC2(CCCC2)C1)[C@@H]1CCc2cn[nH]c2C1	159773651	HBVWIUZDLUVTJT-OCCSQVGLSA-N	303.406	2.123	70	20	DEID	
Cc1ccc2c(c1)OCCN2C(=O)c1cc(S(=O)(=O)F)c[nH]1	1121032648	VUOTZGPBNKJOQU-UHFFFAOYSA-N	324.333	2.021	70	20	DEID	
N#C[C@H](NC(=O)c1ccc(S(=O)(=O)F)cc1)C1CCCC1	893710567	UHUGFWBAAOYNFX-ZDUSSCGKSA-N	310.350	2.157	70	20	DEID	
C[C@@H](CCc1ccco1)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1336923014	YHMRRJVGJWSIRY-VIFPVBQESA-N	314.338	2.017	70	20	DEID	
COc1cc(F)c(NC(=O)N2CCC[C@@](C)(O)C2)cc1OC	161499330	HDAIRGRFFYZQEN-OAHLLOKOSA-N	312.341	2.222	70	20	DEID	
CNC(=O)[C@H]1CCCCN1C(=O)C1C2CC3CC(C2)CC1C3	160009754	XYXGKEVVJHMHPJ-BAPHQMLMSA-N	304.434	2.186	70	20	DEID	
CC1(C)CCCC[C@H]1CC(=O)N[C@@H](CC(N)=O)C1CCOCC1	160282759	VZYRPUGDFQFLPK-GJZGRUSLSA-N	324.465	2.380	70	20	DEID	
CCc1nc(CN[C@H](c2ccc3c(c2)OCCO3)C2CC2)n[nH]1	160544913	UTVZNZQLECTRJY-KRWDZBQOSA-N	314.389	2.379	70	20	DEID	
C[C@H]1CCCN(C(C)(C)CNC(=O)N2CCC[C@@](C)(O)C2)C1	160866421	LGDWGDOVYFWILR-WMLDXEAASA-N	311.470	2.053	70	20	DEID	
COc1ccc(C(=O)NCCCc2c[nH]c3ccccc23)nn1	159417529	AIUJOOHPHKATJV-UHFFFAOYSA-N	310.357	2.329	70	20	DEID	
C[C@H](O)CN(C)[C@@H](C)C(=O)Nc1ccc(Br)cc1	159441666	MGISTONQWKTCBR-UWVGGRQHSA-N	315.211	2.089	70	20	DEID	
COCC(C)(C)C(=O)Nc1ccc(CN2CCOCC2)cc1	159669503	CGGQUYBHZLDEKV-UHFFFAOYSA-N	306.406	2.130	70	20	DEID	
Cc1ccc(C(=O)N2CCO[C@H](C)[C@H]2C)c(Br)n1	159682062	WRBRLDIVGHOBPO-NXEZZACHSA-N	313.195	2.402	70	20	DEID	
Cc1nnc(-c2ccccc2C(=O)NCCC(=O)OC(C)C)o1	159515714	DKFRTFMBMBPQIL-UHFFFAOYSA-N	317.345	2.117	70	20	DEID	
COCCC1(C(=O)NCCOc2ccc(OC)cc2)CCC1	159713341	VIYQWLAKRILZRX-UHFFFAOYSA-N	307.390	2.397	70	20	DEID	
Cc1ccc(Cl)cc1N1CCN(Cc2cnnn2C)CC1	159763500	RSBUNBXXYGQWFG-UHFFFAOYSA-N	305.813	2.099	70	20	DEID	
Cc1cccc([C@H](C)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c1	159392998	FCBVMOPBTQLDLC-MAUKXSAKSA-N	315.461	2.470	70	20	DEID	
CSC[C@](C)(O)CNC(=O)Cc1cccc(C(F)(F)F)c1	217716032	VQTUMYKLNVMWMX-CYBMUJFWSA-N	321.364	2.478	70	20	DEID	
CCC1CN(c2ccc([N+](=O)[O-])cc2CS(=O)(=O)F)C1	882438145	DXRVGLXIKUTGLC-UHFFFAOYSA-N	302.327	2.240	70	20	DEID	
COC(=O)c1csc(NC(=O)NC[C@@H]2CCC[C@H](O)C2)c1	161022132	PUYSEYNIJMMPPA-KOLCDFICSA-N	312.391	2.207	70	20	DEID	
CSc1ccccc1NC(=O)C(=O)N[C@@H](C)C1CCOCC1	161112962	IBFBDPOGNWCAGW-NSHDSACASA-N	322.430	2.278	70	20	DEID	
O=C(NCCc1c(F)cccc1F)N[C@@H]1CCc2[nH]ncc2C1	161224005	XOJGRUBWLCVUMQ-LLVKDONJSA-N	320.343	2.087	70	20	DEID	
Cn1cnc(-c2ccc(NC(=O)NC[C@]3(C)CCCO3)cc2)n1	161290601	OELNMEZEGNUJSS-INIZCTEOSA-N	315.377	2.173	70	20	DEID	
CCC(CC)(CN)C(=O)N1CCc2c(nc(C(C)C)n2C)C1	161291343	VLZGQSJJSPFZRJ-UHFFFAOYSA-N	306.454	2.193	70	20	DEID	
C[C@H]1CCN(C(=O)C[C@@H]2CNCCO2)[C@@H]1c1cccc(F)c1	161486742	MHUPYMONMCGRNY-MJEQTWJJSA-N	306.381	2.114	70	20	DEID	
Cc1nn(C)c(C)c1C(=O)C(=O)N1CCc2c(Cl)cccc21	161503459	LJZVZDKVOZVPMI-UHFFFAOYSA-N	317.776	2.462	70	20	DEID	
Cc1ccc(C(N)=O)cc1NC(=O)NC1C[C@H](C)O[C@@H](C)C1	160023706	VJERCMBGQUYPAM-QWRGUYRKSA-N	305.378	2.171	70	20	DEID	
Cc1nn(C)c2ncc(NC(=O)N3CCC[C@H]3C[C@H](C)O)cc12	160101984	LVQXEPXLWULXON-GWCFXTLKSA-N	317.393	2.044	70	20	DEID	
CCOC(=O)CNC(=O)c1ccc(CN(CC)C(C)C)cc1	160601458	HJSWNGXCZNMEHA-UHFFFAOYSA-N	306.406	2.210	70	20	DEID	
O[C@@H]1CCCC[C@H]1CNC1CCN(Cc2cccnc2)CC1	160644519	BNPVMAGOXZQBQQ-FUHWJXTLSA-N	303.450	2.187	70	20	DEID	
Cc1noc(C)c1[C@@H](C)CNC(=O)NC[C@H]1CCN(C2CC2)C1	159629211	ZZESLCMUDXQZMJ-SMDDNHRTSA-N	320.437	2.178	70	20	DEID	
c1ccc2c(c1)CC[C@]21CN(Cc2cn3cccnc3n2)CCO1	159433490	XCBWAYHGGXTFSN-IBGZPJMESA-N	320.396	2.403	70	20	DEID	
CC(C)CC(=O)NCCC(=O)N1CCC[C@H]1c1ccncc1	159635248	RVTKOZAEBLTRJG-HNNXBMFYSA-N	303.406	2.298	70	20	DEID	
CCCCCN1C(=O)C(=O)N(Cc2cccc(OC)c2)C1=O	159650136	DNDCWCOMGSQWPO-UHFFFAOYSA-N	304.346	2.176	70	20	DEID	
C[C@H]1CN(C(C)(C)CNC(=O)N2CCC3(CCC3)C2)C[C@H](C)O1	159665875	ULVHVQWZNDPTGP-GJZGRUSLSA-N	323.481	2.460	70	20	DEID	
Cn1cc(C(=O)N2CC[C@@]3(CCOC3)C2)c(-c2cccs2)n1	159712275	MLXLPXREPJUKPO-MRXNPFEDSA-N	317.414	2.401	70	20	DEID	
C[C@H](C(=O)N1CCC[C@H](CN2CCOCC2)C1)c1cccs1	159912042	VFGCPEPAAUTRRK-LSDHHAIUSA-N	322.474	2.422	70	20	DEID	
Cc1ccccc1[C@@H](C)NCC1CCN(S(C)(=O)=O)CC1	159370309	CZKZXXGLTFETMM-CQSZACIVSA-N	310.463	2.317	70	20	DEID	
C[C@H](NC(=O)CCCn1cccc1)c1nnnn1-c1ccccc1	159564284	NDAFPTKCNVUMDW-AWEZNQCLSA-N	324.388	2.121	70	20	DEID	
C[C@H](NC(=O)NCC1(CO)CCOCC1)[C@@H](C)c1ccccc1	159389581	MUARZQGVARTYNT-CABCVRRESA-N	320.433	2.267	70	20	DEID	
CSC[C@](C)(O)CNC(=O)c1cc(-c2ccccc2)no1	217633285	PGQFJIPJEHGMBD-OAHLLOKOSA-N	306.387	2.185	70	20	DEID	
CC(=O)Nc1cccc(CNC2CCC3(CC2)OCCO3)c1	161286008	MMFZLOPOHPSDGQ-UHFFFAOYSA-N	304.390	2.420	70	20	DEID	
O=[N+]([O-])c1ccc(N2CC=CCC2)c(CS(=O)(=O)F)c1	882168249	WMLJBQYJDALSTH-UHFFFAOYSA-N	300.311	2.160	70	20	DEID	
C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1120785378	YGAXMUNIYUYZJX-SKDRFNHKSA-N	302.371	2.324	70	20	DEID	
CCn1c(SCC(=O)NC[C@H](C)CCO)nc2ccccc21	161062651	HLDAEHHBDIVCFE-GFCCVEGCSA-N	321.446	2.283	70	20	DEID	
C[C@@H](O)C[C@@H](CNC(=O)COCC(F)(F)F)c1ccccc1	160037226	NBKDDDSYLCFWSE-YPMHNXCESA-N	319.323	2.236	70	20	DEID	
C[C@@H]1COCCN1C(=O)Nc1ccc(O[C@H]2CCOC2)cc1	160110665	WGSZFGFBPVSBCN-DOMZBBRYSA-N	306.362	2.107	70	20	DEID	
Cc1cc(C(C)(C)C)ccc1OCCCC(=O)N[C@H](C)C(N)=O	160179206	VNVNDMPMIZTQFA-CYBMUJFWSA-N	320.433	2.442	70	20	DEID	
Cn1cc(NC(=O)C(=O)Nc2cccnc2-c2ccccc2)cn1	160233021	YBXYZMJQKUYORG-UHFFFAOYSA-N	321.340	2.059	70	20	DEID	
O=C(CSCc1ccncc1)NCCc1cccc(O)c1	160253169	BWBPTFWQYUDZLM-UHFFFAOYSA-N	302.399	2.379	70	20	DEID	
C[C@@H](NC(=O)Nc1ccn(CC(F)(F)F)n1)[C@@H]1CCCO1	160390598	MDNIIWXGTCFYQJ-BDAKNGLRSA-N	306.288	2.134	70	20	DEID	
COC(=O)Cc1cccc(NC(=O)c2cc(F)ccc2O)c1	160493267	BAJPGIGOHUCBLA-UHFFFAOYSA-N	303.289	2.499	70	20	DEID	
Cc1nc(CCNC(=O)NCc2ncccc2F)sc1C	160523970	FWFDQGJMTUZVBN-UHFFFAOYSA-N	308.382	2.336	70	20	DEID	
CCc1ccc(C(C)(C)CNC(=O)CNC[C@@H]2CCCO2)cc1	160868182	HNNXYUPVIOYCFX-KRWDZBQOSA-N	318.461	2.411	70	20	DEID	
COc1cccc(-n2ccnc2SCc2nncn2C)c1	160991386	ZILUUAAIQNOZPH-UHFFFAOYSA-N	301.375	2.302	70	20	DEID	
CCOC(=O)Cn1cccc(NC(=O)C(C)(CC)CC)c1=O	159505226	XYACMZISVCGENV-UHFFFAOYSA-N	308.378	2.176	70	20	DEID	
CCNC(=O)C(=O)Nc1ccc(Sc2ccncc2)cc1	159933063	TVIINUZZJLTZGF-UHFFFAOYSA-N	301.371	2.307	70	20	DEID	
O=S(=O)(NCc1ccccc1CO)c1ccc(Cl)s1	159744792	VMVJYFDWSGDJRG-UHFFFAOYSA-N	317.819	2.372	70	20	DEID	
CC(C)NC(=O)c1ccc(NC(=O)N2CCC[C@](C)(O)C2)cc1	159552591	GVKZNCWEARTJIF-KRWDZBQOSA-N	319.405	2.204	70	20	DEID	
CCCn1cc(C(=O)Nc2ccc(S(=O)(=O)F)cc2)cn1	122984511	ZHOLRNIKNNJTPE-UHFFFAOYSA-N	311.338	2.204	70	20	DEID	
O=C(/C=C/C1CCOCC1)Nc1ccc(S(=O)(=O)F)cc1	460097897	YCAUHXJSWPOWBS-LZCJLJQNSA-N	313.350	2.266	70	20	DEID	
CC[C@H](C)[C@H](C)NC(=O)Cc1ccc(S(=O)(=O)F)cc1	1262734708	GCSKAEDHZJVTRK-QWRGUYRKSA-N	301.383	2.438	70	20	DEID	
C[C@@H]1CN(S(=O)(=O)Cc2c(F)cccc2F)CC(C)(C)O1	161239778	CMTUYZFYZXAJNO-SNVBAGLBSA-N	319.373	2.294	70	20	DEID	
C[C@@H]1COCCN1C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1	160110367	WGSZFGFBPVSBCN-IUODEOHRSA-N	306.362	2.107	70	20	DEID	
O=C(CCC1CCCC1)CSc1nnnn1C[C@H]1CCCO1	160162249	KMSFWYUNPSOPDF-CQSZACIVSA-N	324.450	2.484	70	20	DEID	
C[C@@H]1CCCN1C(=O)CCN1CCN(c2cccs2)CC1	160312367	VPNCVIHAVGPWOV-CQSZACIVSA-N	307.463	2.271	70	20	DEID	
COC(=O)c1cc(C)ccc1NC(=O)c1cnc2c(c1)ncn2C	160384542	LECZMTXAZGKPNR-UHFFFAOYSA-N	324.340	2.316	70	20	DEID	
COC(=O)c1cccc(NC(=O)c2ncn(-c3ccccc3)n2)c1	160456910	IEKSLUMVRZRRTE-UHFFFAOYSA-N	322.324	2.306	70	20	DEID	
COc1cc(NCc2cn(C)nc2C)ccc1N1CCCC1=O	160510530	MZXBRRGQSIHRSZ-UHFFFAOYSA-N	314.389	2.476	70	20	DEID	
COc1ccc(CNC(=O)N(C)C[C@H]2CCC[C@@H]2O)c(OC)c1	159700109	DCCKTZSWXKHAMO-HIFRSBDPSA-N	322.405	2.006	70	20	DEID	
COc1ccccc1CC(C)(C)C(=O)N[C@@H]1CCN(C(C)=O)C1	159743437	SJEUZZCEJPTKBV-OAHLLOKOSA-N	318.417	2.001	70	20	DEID	
Cc1cc(NC(=O)c2csc([C@@H]3CCCO3)n2)c[nH]c1=O	159397874	XWHMOSXQBNKPGH-NSHDSACASA-N	305.359	2.244	70	20	DEID	
O=C(CCc1cccnc1)Nc1cccc(S(=O)(=O)F)c1	460092467	LUCDPWFZSCJFNO-UHFFFAOYSA-N	308.334	2.311	70	20	DEID	
COCC1(C(=O)Nc2cccc(S(=O)(=O)F)c2)CCC1	284599502	HQHRCZMGLWRNNF-UHFFFAOYSA-N	301.339	2.100	70	20	DEID	
CC[C@@H]1CC[C@H](C(=O)Nc2ccc(S(=O)(=O)F)c(F)c2)O1	857674983	WYAOFTPABZXVHV-MWLCHTKSSA-N	319.329	2.380	70	20	DEID	
CC[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CCCC1	1354885459	NHCLBJSJPBMSQJ-NSHDSACASA-N	302.371	2.372	70	20	DEID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@H]1Cc1ccccc1	1520865079	GTDDPUMFUABCEA-LBPRGKRZSA-N	322.361	2.130	70	20	DEID	
O=C(Nc1ccc(F)nc1)C(=O)N1CCC2(CCCC2)CC1	161278540	TYEYISXCPWNJOS-UHFFFAOYSA-N	305.353	2.342	70	20	DEID	
COc1ccc(CN(C)C(=O)[C@@H]2CCn3ccnc3C2)cc1C	161376638	QSVJVKFADMSWFU-OAHLLOKOSA-N	313.401	2.421	70	20	DEID	
CC(C)(C)c1cccc(OCCNC(=O)[C@@H]2CSCN2)c1	160107776	VYPURWYLYLPPMD-AWEZNQCLSA-N	308.447	2.142	70	20	DEID	
C[C@@H]1CCN(C(=O)NCCS(=O)(=O)c2ccccc2)C[C@@H]1C	160232814	TZPBWTVIABRISV-KGLIPLIRSA-N	324.446	2.148	70	20	DEID	
CC(C)(C(=O)NC[C@@H](O)CN1CCCCC1)c1cccc(F)c1	160467470	IYZUBOVMMOJKAR-MRXNPFEDSA-N	322.424	2.066	70	20	DEID	
O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)N1CCC[C@H](CO)C1	160745314	XXSFLJRSWKBTBF-USXIJHARSA-N	318.417	2.321	70	20	DEID	
Cc1nnc(-c2ccccc2C(=O)N[C@@H](CO)CC(C)C)o1	160761422	JHMOJUUWQFCSJK-GFCCVEGCSA-N	303.362	2.182	70	20	DEID	
CCCN(C)C(=O)C(=O)Nc1cc(C)ccc1-n1cc(C)cn1	160883850	TVLOTKZCTWAQEE-UHFFFAOYSA-N	314.389	2.296	70	20	DEID	
CCc1ccc([C@@H](CO)Nc2cnn(C)c(=O)c2Cl)cc1	160892374	NSOGQAKSVUODAW-CYBMUJFWSA-N	307.781	2.142	70	20	DEID	
Cc1cc(C)c(CN2CCN(C(=O)[C@H]3CCCO3)CC2)cc1C	160958797	NJNYNRBEPXCFMC-GOSISDBHSA-N	316.445	2.435	70	20	DEID	
CC(C)[C@H]1CN(C)CCN1C(=O)NC[C@@H](C)Oc1ccccc1	159938959	DBTMWZSHLZRFBR-NVXWUHKLSA-N	319.449	2.436	70	20	DEID	
COCCN(C)C(=O)Cc1ccc(Br)c(F)c1	159957306	KYWYDOAGOQKQOS-UHFFFAOYSA-N	304.159	2.236	70	20	DEID	
CN(CC(=O)N1CCCc2ccccc21)C[C@H]1CCC[C@@H]1O	159569318	BNFZFIAZPLALAA-WBVHZDCISA-N	302.418	2.059	70	20	DEID	
CCc1n[nH]c(=O)c(CNC(=O)N[C@H]2CCC[C@H]2CC)c1CC	159776804	VODVROWIFWFSIS-ABAIWWIYSA-N	320.437	2.273	70	20	DEID	
CCCCNC(=O)[C@@H](C)N1CCO[C@]2(CCc3ccccc32)C1	159584401	BLLJYDQSUINPQS-DNVCBOLYSA-N	316.445	2.465	70	20	DEID	
CSC[C@](C)(O)CNC(=O)c1cc(F)c(F)c(F)c1F	217635087	RNEYDFFTDMNMRS-GFCCVEGCSA-N	311.300	2.087	70	20	DEID	
Cc1ccc(C(=O)N[C@H](C)CC(=O)c2ccc(F)cc2)c(=O)[nH]1	161202299	GCBLNQOEIPGUFK-LLVKDONJSA-N	316.332	2.214	70	20	DEID	
CCNC(=O)CN(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1	161387617	APDNEFFEGMZLMV-UHFFFAOYSA-N	318.396	2.216	70	20	DEID	
CC[C@@H](NC(=O)NCc1cccc(N(C)C)n1)c1ccncc1	161485141	HVIWLLXRQVTIOJ-OAHLLOKOSA-N	313.405	2.493	70	20	DEID	
Cc1ccc(NC(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)cn1	161492012	CSJQVTBNRBIJOG-AWEZNQCLSA-N	316.405	2.160	70	20	DEID	
CN(Cc1nccn1C)C(=O)c1csc([C@@H]2CCCO2)n1	160091445	CZGRZBNWIFVELJ-NSHDSACASA-N	306.391	2.000	70	20	DEID	
CC[C@@H](CC(=O)NCCN1C(=O)CCC1=O)c1ccc(C)cc1	160313898	FSRFVLDIYAEKNS-AWEZNQCLSA-N	316.401	2.144	70	20	DEID	
Cc1nn(C)c2sc(C(=O)NCC3(CO)CCCC3)cc12	160329492	XIDJWFKLHRANDA-UHFFFAOYSA-N	307.419	2.226	70	20	DEID	
Cc1nc2n(n1)C[C@@H](N[C@@H](C)c1ccc3c(c1)OCCO3)CC2	160451757	VJNMZENUSIGUQX-FZMZJTMJSA-N	314.389	2.023	70	20	DEID	
CN(CCN(C)C(=O)OC(C)(C)C)Cn1ncsc1=S	160566792	QIOGMBYZJVSGCX-UHFFFAOYSA-N	318.468	2.430	70	20	DEID	
C[C@H](O)[C@@H]1CCCN(C(=O)Nc2ccn(CC(F)(F)F)n2)C1	160648298	BJAQZLWKGQHCSE-VHSXEESVSA-N	320.315	2.070	70	20	DEID	
C[C@H](Cc1ccc(Cl)cc1)C(=O)N(C)CC(=O)NC1CC1	160736261	YVQRNXQHVZCJDO-LLVKDONJSA-N	308.809	2.256	70	20	DEID	
O=C(NC[C@]1(O)CCc2ccccc21)c1cccc2[nH]cnc12	159442127	MXXGTDOYHLEUGR-GOSISDBHSA-N	307.353	2.127	70	20	DEID	
COc1cccc(NC(=O)N[C@@H]2CCN(c3ccccn3)C2)c1	159726701	OYISZERDQAXADF-CQSZACIVSA-N	312.373	2.491	70	20	DEID	
CN(Cc1cccc(N(C)C)c1)C(=O)Nc1cccn(C)c1=O	159969441	FPRCWLNSRDJWMU-UHFFFAOYSA-N	314.389	2.115	70	20	DEID	
CCCC(=O)N1CCCC[C@H]1C(=O)N1CCC(CNCC)CC1	161001127	AORCBICGCJLIBY-INIZCTEOSA-N	323.481	2.016	70	20	DEID	
Cc1conc1NC(=O)C(=O)N1CC[C@H](Cc2ccccc2)C1	161381394	WOVRRILFINRFCW-CQSZACIVSA-N	313.357	2.013	70	20	DEID	
CCS(=O)(=O)c1cccc(CC(=O)N[C@H](C)C2CCC2)c1	161393937	LCMBXJAOGPJZOF-GFCCVEGCSA-N	309.431	2.328	70	20	DEID	
Cc1ccc(-c2n[nH]c(NC(=O)c3ccn(C)c(=O)c3)c2C)o1	161395543	AXPLHJSZGVXZIA-UHFFFAOYSA-N	312.329	2.238	70	20	DEID	
CCOC(=O)[C@@H]1CSCCN1C(=O)c1cccc(C)c1F	161429348	GSCUOACPKVUHIC-LBPRGKRZSA-N	311.378	2.255	70	20	DEID	
CC1(C)CCc2ccccc2[C@H]1NC(=O)C1(NC(N)=O)CC1	160112551	KOQWWWAHUHPKFC-CYBMUJFWSA-N	301.390	2.017	70	20	DEID	
O=C(Nc1ccc(NC(=O)C2CC2)cc1)N[C@H]1CC[C@H](O)CC1	160483467	OSADJDQRSUZNMR-GASCZTMLSA-N	317.389	2.460	70	20	DEID	
CC(C)CN1CCCC[C@@H]1CNC(=O)N1CCC[C@H](N(C)C)C1	160942605	UJAGEGDKVPOHFU-SJORKVTESA-N	324.513	2.233	70	20	DEID	
CC(=O)N1CC[C@@H](NC(=O)c2ccc(F)c(C(F)(F)F)c2)C1	159814710	QGMVKQSCZZXJQJ-SNVBAGLBSA-N	318.270	2.195	70	20	DEID	
COCCN(C)CCCNC(=O)Nc1ccnc(C)c1Cl	159441697	MMOOZUXWLYXGQH-UHFFFAOYSA-N	314.817	2.133	70	20	DEID	
Cc1nccn1CCCCNC(=O)N(C)CC1CCOCC1	159380894	ZHWRUKAHPJHJFD-UHFFFAOYSA-N	308.426	2.040	70	20	DEID	
COC[C@H](O)CCNC(=O)CCn1ccc2cc(Cl)ccc21	161164475	QIMBQDORIVNXRD-CQSZACIVSA-N	324.808	2.198	70	20	DEID	
COC[C@@H](O)CCNC(=O)c1cc(Cl)ccc1OC(C)C	161187817	VZWATKSDEYIMHK-LBPRGKRZSA-N	315.797	2.254	70	20	DEID	
CC[C@@H](CNC(=O)[C@H](C)N)Cc1cccc(Br)c1	161223636	WNJXOOUEAIIRRS-WDEREUQCSA-N	313.239	2.481	70	20	DEID	
Cc1cnn(CCC(=O)N[C@@H](C)CC(=O)c2ccc(F)cc2)c1	161230678	DLGIUENCKWMHTR-ZDUSSCGKSA-N	317.364	2.498	70	20	DEID	
CCc1cnc(NC(=O)NCCCNC(=O)C2CCC2)s1	161276822	UVNGZJSZRYFBEW-UHFFFAOYSA-N	310.423	2.133	70	20	DEID	
CCOc1ccccc1CCNC(=O)[C@H]1CCn2ccnc2C1	161283741	VQFCKSOZAOCBMC-HNNXBMFYSA-N	313.401	2.203	70	20	DEID	
CC[C@H](CC(=O)N[C@H]1CCN(C(N)=O)C1)c1ccc(C)cc1	160016979	QEMZSCXRBFIHOZ-HIFRSBDPSA-N	303.406	2.148	70	20	DEID	
CCC[C@H]1CN(C(=O)NCc2cccc(NC(C)=O)c2)CCO1	160119929	ROXIOOMIDOGZLJ-INIZCTEOSA-N	319.405	2.356	70	20	DEID	
O=C(NCC1(CO)CCCC1)[C@H]1Cc2cc(Cl)ccc2O1	160302776	ZWWMXIBVHQRFSC-CQSZACIVSA-N	309.793	2.312	70	20	DEID	
CNC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2O3)c(Cl)c1	160302848	REZFHUDDBXZFAN-CWSCBRNRSA-N	308.765	2.206	70	20	DEID	
Cc1occc1C(=O)NCC(=O)NCc1nc(C(C)C)cs1	160577443	HODRZLAAJJMFIM-UHFFFAOYSA-N	321.402	2.214	70	20	DEID	
O=C(Nc1ccc(C(=O)N2CCCC2)cc1)[C@@H]1CCCCO1	160657966	LSGXYBOXXXYWCR-HNNXBMFYSA-N	302.374	2.430	70	20	DEID	
CC[C@H](O)CCNC(=O)NCc1ccccc1OC(F)F	160870228	BEUJJVILBLPKTK-NSHDSACASA-N	302.321	2.248	70	20	DEID	
O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)N1CCC[C@H]1CO	160894428	RCIIPSXXBVVXOQ-JYJNAYRXSA-N	304.390	2.073	70	20	DEID	
C[C@H](C(=O)NCCCOC1CCOCC1)[C@@H](N)c1ccccc1	160941448	WDAQBEJDJAYFJX-WMLDXEAASA-N	320.433	2.024	70	20	DEID	
CCc1cc(O)nc(CN2CCCN(c3ccccc3)CC2)n1	160953757	DEYVHWCSBGGOCS-UHFFFAOYSA-N	312.417	2.457	70	20	DEID	
Cc1noc(C)c1[C@@H](C)CNC(=O)NC[C@@H]1CCN(C2CC2)C1	159628957	ZZESLCMUDXQZMJ-FZMZJTMJSA-N	320.437	2.178	70	20	DEID	
CCC[C@H](CNC(=O)c1ccc(S(=O)(=O)F)cc1)OCC	1119492179	PLDQQXJJRUJJPV-GFCCVEGCSA-N	317.382	2.280	70	20	DEID	
O=C(CCc1ccc(S(=O)(=O)F)cc1)N[C@@H]1CC12CCC2	1337510179	QAXKDHZSESZRCA-CYBMUJFWSA-N	311.378	2.336	70	20	DEID	
CC[C@@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccn(CCC(C)C)n1	161093152	UMPBXDHOHHKAOV-OLZOCXBDSA-N	323.441	2.354	70	20	DEID	
N[C@@H]1CCC[C@@H](NC(=O)c2ccc(OCC(F)(F)F)nc2)C1	161334400	GBSIZKJSBIRBNE-GHMZBOCLSA-N	317.311	2.022	70	20	DEID	
Cc1conc1NC(=O)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1	160120615	QQQXYYHTJVMDBW-DTWKUNHWSA-N	319.283	2.159	70	20	DEID	
CN(C[C@@H]1CCCO1)C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1	160277554	FLVGEQIOQUVQBA-JKSUJKDBSA-N	320.389	2.497	70	20	DEID	
O=C(NCC1(C2CC2)CC1)N[C@H]1CCN(C(=O)C2CCCC2)C1	160499330	GGTMFEBNDBDTFR-HNNXBMFYSA-N	319.449	2.267	70	20	DEID	
Cc1nc(CC(=O)Nc2ccnn2C[C@H]2CCOC2)c(C)s1	160797797	ZGHNAUQAAZJDGL-GFCCVEGCSA-N	320.418	2.174	70	20	DEID	
CC(C)c1ccc(C(=O)NCC(C)(C)N2CCOCC2)cn1	159903144	BHZIIGJUZVDWSU-UHFFFAOYSA-N	305.422	2.046	70	20	DEID	
COCc1nc2n(n1)C[C@@H](Nc1nc(C(C)(C)C)ns1)CC2	159950880	YQIAVLAOVRBMFQ-VIFPVBQESA-N	322.438	2.000	70	20	DEID	
CCOc1cc(Cl)ccc1CNS(=O)(=O)CCCOC	159982250	INMDRWMCGKEDGL-UHFFFAOYSA-N	321.826	2.195	70	20	DEID	
COC1(CC(=O)Nc2ccc(S(=O)(=O)F)c(F)c2)CCC1	857674560	LSOXPAOPVQPCJF-UHFFFAOYSA-N	319.329	2.382	70	20	DEID	
COC(=O)c1csc(NC(=O)N(C)C[C@@H]2CCCOC2)c1	161011354	PRZOWEAEJPAZIO-JTQLQIEISA-N	312.391	2.425	70	20	DEID	
O=C(CSc1ccc(C(F)(F)F)cn1)N[C@H]1CCC[C@@H]1O	161164124	WZSHEDPWSDDPAD-UWVGGRQHSA-N	320.336	2.222	70	20	DEID	
CNC[C@@H]1CCCN1C(=O)Cc1ccc(OCC(C)C)cc1	161233308	ODRPUCFOJMDQFO-INIZCTEOSA-N	304.434	2.474	70	20	DEID	
CCN(CC)CCC[C@H](C)NC(=O)c1cnc2c(c1)ncn2C	160189622	NMWQKFATDRNEDM-ZDUSSCGKSA-N	317.437	2.209	70	20	DEID	
CC[C@H](NC(=O)CCOC1CCOCC1)c1c(C)noc1C	160210518	VWRVKXVYWFEBDW-AWEZNQCLSA-N	310.394	2.444	70	20	DEID	
Cc1ccc([C@@H](O)CNC(=O)Cc2nc(C)sc2C)cc1	160224680	CRCBGNVKRVLMQR-HNNXBMFYSA-N	304.415	2.461	70	20	DEID	
O=C(COC[C@H]1CCOC1)N[C@@H]1CCOC2(CCCCC2)C1	160445915	LFYASYZDKVKWDS-LSDHHAIUSA-N	311.422	2.038	70	20	DEID	
CN[C@H]1CCN(C(=O)CCc2ncc(-c3ccc(C)cc3)o2)C1	160463762	KEMOTMFWCIQIGE-HNNXBMFYSA-N	313.401	2.403	70	20	DEID	
O=S(=O)(CCCF)N1CC[C@@H](Oc2ccccc2Cl)C1	160601241	PEYUTRJKGACRFS-LLVKDONJSA-N	321.801	2.483	70	20	DEID	
CN[C@H]1CCN(C(=O)c2cnc(-c3ccc(OC)cc3)s2)C1	160684261	GWHGUOJZNYSGNN-LBPRGKRZSA-N	317.414	2.253	70	20	DEID	
CCNC(=O)c1ccc(NC(=O)N2CCC[C@@H]2C[C@@H](C)O)cc1	160784596	FFNXJMKONZOFOC-IUODEOHRSA-N	319.405	2.204	70	20	DEID	
CC(C)c1cc(=O)n(CC(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)cn1	160898409	GNDPCGVBSBXOFS-YJNKXOJESA-N	317.433	2.308	70	20	DEID	
COC[C@@H](NC(=O)Nc1ccc(-c2ncn(C)n2)cc1)C1CC1	160958931	QDGCMEXXXMMCPR-CQSZACIVSA-N	315.377	2.029	70	20	DEID	
C[C@H](C(=O)N1CCC[C@H](N2CCCC2=O)C1)c1ccsc1	159809982	CUTRHYKMHLSFJT-JSGCOSHPSA-N	306.431	2.465	70	20	DEID	
COC(=O)Cn1cc(CCSc2cc(F)ccc2F)nn1	159470345	BUJBDCLOXBGLHM-UHFFFAOYSA-N	313.329	2.064	70	20	DEID	
Cc1ccc(CNC(=O)[C@H](C)SCCN2CCOCC2)cc1	159963511	DAWWEAYFIBWDNY-HNNXBMFYSA-N	322.474	2.065	70	20	DEID	
COc1cccc(CCNC(=O)N2CCCC[C@H]2CCO)c1	217431656	ZDRPCGICYLUWPR-HNNXBMFYSA-N	306.406	2.184	70	20	DEID	
Cn1ncc(C2CC2)c1C(=O)Nc1cccc(S(=O)(=O)F)c1	460097850	XTGBCBLIVOYEDB-UHFFFAOYSA-N	323.349	2.208	70	20	DEID	
CC(C)CO[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	857674027	BDDRSTVMGAWSLY-VIFPVBQESA-N	321.345	2.484	70	20	DEID	
O=C(C[C@H]1CCCCO1)Nc1ccc(S(=O)(=O)F)c(F)c1	857674607	MTFKUIDMOZZDLR-SNVBAGLBSA-N	319.329	2.382	70	20	DEID	
CN(C)c1ccc(NC(=O)c2ccc(S(=O)(=O)F)cc2)nc1	864239543	FKQCMLRDTLHOJR-UHFFFAOYSA-N	323.349	2.058	70	20	DEID	
C[C@@H](CC(=O)c1cccs1)NC(=O)c1ccc2nncn2c1	161031794	ZWCXZDZCSBSBBK-JTQLQIEISA-N	314.370	2.182	70	20	DEID	
COc1cccc2c1CC[C@@H]2NC(=O)CCCCCNC(C)=O	160024419	VHVSXBAEKLVSHX-INIZCTEOSA-N	318.417	2.495	70	20	DEID	
O=S(=O)(Cc1c(F)cccc1F)NCCc1cccnc1	160406413	GTAFUNVWGPBCBN-UHFFFAOYSA-N	312.341	2.022	70	20	DEID	
Cn1cnnc1[C@H]1CCCN1C(=O)Nc1cc(C(C)(C)C)on1	160447755	XNOYBEOZMQIOJG-SNVBAGLBSA-N	318.381	2.470	70	20	DEID	
CN(CCc1ccncc1)C(=O)N[C@H]1CCO[C@H](C2CC2)C1	160484377	NQBJXCBRAOZXRI-HOTGVXAUSA-N	303.406	2.223	70	20	DEID	
CC[C@H](NCc1ccccc1CN1CCOCC1)[C@H]1CCOC1	160487098	OXUJYXDAYRIJPW-OALUTQOASA-N	318.461	2.424	70	20	DEID	
CCO[C@@H](CCNC(=O)c1cnc2c(c1)ncn2C)C(C)C	160679411	XHMZWDUWLLJJDA-AWEZNQCLSA-N	304.394	2.149	70	20	DEID	
COC(=O)c1cc(NC(=O)N[C@@]2(C)CCOC2)c(F)cc1F	160928954	ODIWXDXCHFKDIG-AWEZNQCLSA-N	314.288	2.052	70	20	DEID	
Cc1nccc(NC(=O)N[C@H]2CCCC[C@@H]2C(N)=O)c1Cl	159756877	MSTDMNJCWBNJAC-UWVGGRQHSA-N	310.785	2.209	70	20	DEID	
C[C@@H]1CC(NC(=O)NCc2nccn2C(F)F)C[C@@H](C)O1	159789955	UJXNJYPFDKGOIC-RKDXNWHRSA-N	302.325	2.033	70	20	DEID	
O=C(C[C@@H]1COC(=O)C1)N[C@H]1CCSc2ccc(F)cc21	159798434	BCJLQYJETVHCCT-CABZTGNLSA-N	309.362	2.432	70	20	DEID	
CS[C@@H](CO)[C@@H](C)NC(=O)c1cc(F)c(Cl)cc1F	159655896	DLBRYNIAIOUYLL-KBUNVGBDSA-N	309.765	2.460	70	20	DEID	
O=C(C[C@@H]1CCCN1)N1CC[C@H](COCc2ccccc2)C1	161328126	ONDMTEFUPTYBKQ-IRXDYDNUSA-N	302.418	2.194	70	20	DEID	
Cc1ccc(NC(=O)c2cnc3n2CCC3)cc1S(=O)(=O)F	857673505	AVLXNCGPTBAVRU-UHFFFAOYSA-N	323.349	2.048	70	20	DEID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)c1ncoc1C1CC1	864238390	JGTLXDQMWRNXME-UHFFFAOYSA-N	310.306	2.463	70	20	DEID	
COC(=O)N1CCC(NC(=O)c2ccc(Cl)nc2C)CC1	161085993	INNZKWRGVFBFSX-UHFFFAOYSA-N	311.769	2.004	70	20	DEID	
CCOCC(=O)N1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1	160226665	HNIUFECYNHASSL-ZDUSSCGKSA-N	322.405	2.143	70	20	DEID	
CC[C@H](COC)NS(=O)(=O)c1ccc(C(F)(F)F)cc1	160320884	XVBXHIBEJGAMIA-SNVBAGLBSA-N	311.325	2.409	70	20	DEID	
Cc1cc(CNC(=O)CSc2nc3ccccc3[nH]2)on1	160421841	RDOJMPFPKSRNNF-UHFFFAOYSA-N	302.359	2.268	70	20	DEID	
CC(C)n1nccc1NC(=O)c1csc(S(C)(=O)=O)c1	160484885	XZTFUVKBYNMTOX-UHFFFAOYSA-N	313.404	2.181	70	20	DEID	
C/C(=C/C(=O)NC[C@@H](O)CN1CCCCC1)c1ccccc1	160545454	SDNLWENAENUTPF-MLRPBERTSA-N	302.418	2.053	70	20	DEID	
CC(=O)NCCNC(=O)Nc1ccc(COC2CCCC2)cc1	160563614	PPKAUJSAAJGZIB-UHFFFAOYSA-N	319.405	2.403	70	20	DEID	
C[C@@H](OC[C@H]1CCCO1)C(=O)N1CCc2c(F)cccc2C1	160972498	YJBQHPRQJXUDMW-TZMCWYRMSA-N	307.365	2.295	70	20	DEID	
COC(=O)C1(N(C)CC(=O)N(C)C2CCCCC2)CCCC1	159450861	MGLKKWIDWXVMAB-UHFFFAOYSA-N	310.438	2.195	70	20	DEID	
Cc1ccc(C)c(OCCC(=O)N2C[C@@H]3CCC[C@H](C2)N3)c1	159863871	MNAASQUOLIPEQE-IYBDPMFKSA-N	302.418	2.425	70	20	DEID	
CCN1CCC(CCNC(=O)c2cccc3[nH]cnc23)CC1	159696946	UDGTUDGEBZAMGK-UHFFFAOYSA-N	300.406	2.415	70	20	DEID	
CNC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C)C[C@@H](C)C2)cc1	159722621	LFVJPBUIXZTZIJ-CHWSQXEVSA-N	324.446	2.103	70	20	DEID	
CCN1CCCN(C(=O)N[C@H](C)c2nc3ccccc3[nH]2)CC1	159549452	MDIQSCRTPAXPFT-CYBMUJFWSA-N	315.421	2.361	70	20	DEID	
CC[C@@H](NC(=O)CCn1ccccc1=O)c1c(C)noc1C	159962774	JQRJGAUPCXTWID-CYBMUJFWSA-N	303.362	2.111	70	20	DEID