smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CS(=O)(=O)N1CCN(C(=O)CC2(n3cccc3)CCOCC2)CC1	218405099	HJVWEODDEQQLNH-UHFFFAOYSA-N	355.460	0.488	70	50	FCIA	
Cn1nc(C(N)=O)c2c1CCN(C(=O)COc1ncnc3ccccc13)C2	217815456	VFFZASJORRQYSQ-UHFFFAOYSA-N	366.381	0.426	70	50	FCIA	
COc1nnc(CN2CCn3nc([C@H](O)c4ccnn4C)cc3C2)s1	218146629	TYMAFOGVSOTHEN-AWEZNQCLSA-N	361.431	0.574	70	50	FCIA	
O=C(CC1=CSC2=NCCCN12)NCc1nc(-c2cnccn2)n[nH]1	217395530	FQNHIPMCZMSGKV-UHFFFAOYSA-N	356.415	0.918	70	50	FCIA	
O=C(NCCc1csc(-c2cccnc2)n1)c1c[nH]nc1-n1cnnn1	218528788	TZOINAGOQBTYLO-UHFFFAOYSA-N	367.398	0.876	70	50	FCIA	
Cn1cc(C(=O)N2CCN(c3nc4ccccc4s3)CC2)c(=O)[nH]c1=O	217337303	DKCUEMNDASFIMH-UHFFFAOYSA-N	371.422	0.646	70	50	FCIA	
Cc1ccc(O[C@H]2COCC[C@H]2NC(=O)c2ccn3nnnc3c2)cn1	218031165	YVYHJBXVZVQNKI-CABCVRRESA-N	354.370	0.794	70	50	FCIA	
O=c1[nH]c2ccc(S(=O)(=O)N3CCn4nc(CO)cc4C3)cc2o1	217420491	ADDIAEGNHKEZPQ-UHFFFAOYSA-N	350.356	0.014	70	50	FCIA	
CN(CC(=O)NCc1nnc(-c2ccccc2)o1)[C@@H]1CCS(=O)(=O)C1	217819464	VGBGBYZRLWLMTE-CYBMUJFWSA-N	364.427	0.472	70	50	FCIA	
NC(=O)c1csc(S(=O)(=O)N[C@@H]2CCOC[C@H]2OCC2CC2)c1	218774742	UUQAGABGCCPZLG-VXGBXAGGSA-N	360.457	0.709	70	50	FCIA	
O=C(c1cnc2c(O)cccn2c1=O)N1CCCn2nc(CO)cc2C1	217042188	WAJWQLNTCDCKDT-UHFFFAOYSA-N	355.354	0.135	70	50	FCIA	
CN(C)C[C@H](O)c1cc2n(n1)CCN(C(=O)c1cnc(C3CC3)nc1)C2	218242437	KVAGTCDLHXVRRD-INIZCTEOSA-N	356.430	0.802	70	50	FCIA	
Cc1ccc2[nH]c(=O)cc(C(=O)N[C@@H]3COCC[C@@H]3OCC(N)=O)c2c1	218726264	GLIXLMKEGKZAGP-CABCVRRESA-N	359.382	0.226	70	50	FCIA	
Cc1n[nH]c(SCC(=O)NCCn2[nH]c(=O)c3ccccc3c2=O)n1	218370782	IPVJXHMXUPWAMZ-UHFFFAOYSA-N	360.399	0.025	70	50	FCIA	
COc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCN(C)CC3)C2=O)cc1	218544664	GYBSPNIZJNWIKU-HNNXBMFYSA-N	360.414	0.674	70	50	FCIA	
NS(=O)(=O)c1ccsc1C(=O)N1CCCn2nc(CO)cc2C1	217588632	UZIOMTNHUYNFIV-UHFFFAOYSA-N	356.429	0.130	70	50	FCIA	
Cc1ncnc(N2CCN(C(=O)C[C@H]3C=CS(=O)(=O)C3)CC2)c1C	218158377	VKFRUFBKMMVGHX-CQSZACIVSA-N	350.444	0.690	70	50	FCIA	
COc1cc2c(cc1CN1CCn3nc([C@@H](O)CO)cc3C1)OCCO2	216967132	BQFIIXDSGTTXKD-HNNXBMFYSA-N	361.398	0.704	70	50	FCIA	
O=C(c1ccc2c(c1)ncn2CCO)N1CCCn2nc(CO)cc2C1	216943677	BFZLZYCTKNKVEV-UHFFFAOYSA-N	355.398	0.764	70	50	FCIA	
Cc1n[nH]c(SCCNC(=O)Cc2ccc(S(C)(=O)=O)cc2)n1	218644326	HMOWBTCBLJCTHX-UHFFFAOYSA-N	354.457	0.968	70	50	FCIA	
O=C(c1cnc(N2CCOCC2)nc1)N1CCCn2nc(CO)cc2C1	217118086	PIQHKIVTJJTCTG-UHFFFAOYSA-N	358.402	0.048	70	50	FCIA	
O=C(CCS(=O)(=O)c1ccccc1)N1CCN(Cc2nnc[nH]2)CC1	218406816	IWHHYAGCFMVDID-UHFFFAOYSA-N	363.443	0.313	70	50	FCIA	
COCc1n[nH]c(NC(=O)CC[C@@H]2NC(=O)c3ccccc3NC2=O)n1	217796007	VIWZEVMIROYDFF-NSHDSACASA-N	358.358	0.421	70	50	FCIA	biogenic
CCc1nccn1CCC(=O)NC1CCN(C(=O)N2CCOCC2)CC1	217084503	MBVUJGGGHOUQFM-UHFFFAOYSA-N	363.462	0.868	70	50	FCIA	
Cc1ccc(C(=O)N2CCn3nc(CO)cc3C2)cc1N1CCNC1=O	217820292	USIMJPJOMULSIZ-UHFFFAOYSA-N	355.398	0.869	70	50	FCIA	
O=C(N[C@@H]1COCC[C@@H]1OCc1ccccc1)c1cc(-n2cnnn2)[nH]n1	218552715	MPPVBUHYGLVNFS-CABCVRRESA-N	369.385	0.490	70	50	FCIA	
Cn1c(CO)nnc1[C@@H]1CCCN(C(=O)CCN2CCCCCC2=O)C1	216988051	MIOHUNQTSVTKDO-CQSZACIVSA-N	363.462	0.806	70	50	FCIA	
Cc1nonc1C(=O)N1CCCn2nc([C@@H](O)c3ccnn3C)cc2C1	218111877	GROUSIHYCCAUPG-OAHLLOKOSA-N	357.374	0.436	70	50	FCIA	
O=C(CN1CCCn2nc([C@@H](O)CO)cc2C1)NCc1cccs1	217152926	JDHWFPULZGEVDE-HNNXBMFYSA-N	350.444	0.492	70	50	FCIA	
O=C(CCn1ccc(=O)[nH]c1=O)N1CCN(CCOc2ccccc2)CC1	217178407	HLELSJZHKRLGAX-UHFFFAOYSA-N	372.425	0.150	70	50	FCIA	
Cc1noc(CCCNC(=O)CC[C@@H]2NC(=O)c3ccccc3NC2=O)n1	217787831	CXRZGWUZOCIORT-AWEZNQCLSA-N	371.397	0.958	70	50	FCIA	biogenic
COc1cn(CC(=O)Nc2cccc(-c3nnn(C)n3)c2)c(C)cc1=O	218310601	CQBUMXXPHAPCAZ-UHFFFAOYSA-N	354.370	0.995	70	50	FCIA	
CNC(=O)[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2ccc3[nH]ncc3c2)C1	160755669	MNCWDVRMGMSYHK-DGCLKSJQSA-N	357.414	0.666	70	50	FCIA	
NC(=O)C[C@H](c1cccnc1)c1oc(CN2CCOCC2)cc(=O)c1O	218523876	ANLTWFNASFJRHW-CQSZACIVSA-N	359.382	0.580	70	50	FCIA	
C[C@H](O)c1cc2n(n1)CCN(C(=O)c1ccc3c(c1)N(C)C(=O)CO3)C2	217925486	OUTACTNMLVCSJB-NSHDSACASA-N	356.382	0.948	70	50	FCIA	
C[C@H]1CO[C@H](CO)CN1S(=O)(=O)c1ccc(S(=O)(=O)F)cc1	1776007612	PBTLAWFVEMOYOF-UWVGGRQHSA-N	353.393	0.115	70	50	FCIA	
Cc1cc(N2CCC[C@@H](N3CCN(S(=O)(=O)F)CC3)C2=O)n(C)n1	1875368315	IOCWELHCILKJBR-GFCCVEGCSA-N	359.427	0.056	70	50	FCIA	
COc1ccc(S(N)(=O)=O)cc1C(=O)NCCNc1ncccc1C	218753591	HKTPYGNYBOBHKP-UHFFFAOYSA-N	364.427	0.888	70	50	FCIA	
Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCc1cnn(-c2cccc(F)c2)c1	217398991	XOSBKYMFVIJJOH-UHFFFAOYSA-N	357.345	0.555	70	50	FCIA	
O=C1NC(=O)[C@H](CCC(=O)N2CCC[C@H]2c2nc(-c3ccncc3)no2)N1	218182186	RIJJYGSUTKBGFO-RYUDHWBXSA-N	370.369	0.783	70	50	FCIA	
O=C(c1cnccn1)N1CCC(N2CCCn3nc(CO)cc3C2)CC1	217039064	AHJFOVUTFZAHDG-UHFFFAOYSA-N	356.430	0.676	70	50	FCIA	
C[C@H](O)c1cc2n(n1)CCCN(S(=O)(=O)c1cc(C(N)=O)cs1)C2	216970949	HWUSAJUGZQRTHB-VIFPVBQESA-N	370.456	0.691	70	50	FCIA	
O=C(c1cc(=O)n(-c2ccccc2)[nH]1)N1CCN(c2cnccn2)CC1	217618546	IEXBARLVLDAHGG-UHFFFAOYSA-N	350.382	0.918	70	50	FCIA	
O=C(CCCc1nc(-c2ccncc2)no1)NCc1c[nH]c(=O)[nH]c1=O	218047992	PHTOMUNQIDBZHH-UHFFFAOYSA-N	356.342	0.147	70	50	FCIA	
O=C(CCn1cnc2ccccc2c1=O)N1CCN(Cc2nnc[nH]2)CC1	217107826	QBSOBQVPGLUNIR-UHFFFAOYSA-N	367.413	0.249	70	50	FCIA	
CN(C)Cc1nc(C(=O)N2CCCn3nc([C@@H](O)CO)cc3C2)cs1	217499312	UIOHOQPTVCWSED-AWEZNQCLSA-N	365.459	0.473	70	50	FCIA	
Cc1n[nH]c(C)c1[C@H](N)C(=O)N1CCN(c2ccc3nccn3n2)CC1	217750653	KNZSGQSLOGJHKI-INIZCTEOSA-N	354.418	0.418	70	50	FCIA	
CC(C)(C)n1ccc(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2NS(C)(=O)=O)c1	218625805	TUWLUWJAVZINFG-XJFOESAGSA-N	355.460	0.678	70	50	FCIA	
C[C@@H](O)c1cc2n(n1)CCN(C(=O)c1cnc3c(O)cccn3c1=O)C2	217192972	JDOQUIRVLDNIAZ-SNVBAGLBSA-N	355.354	0.306	70	50	FCIA	
CN(C)C(=O)CO[C@H]1CCOC[C@H]1NC(=O)c1cc(=O)[nH]c2ccccc12	218410718	IWZCHFPJRXBADH-CVEARBPZSA-N	373.409	0.520	70	50	FCIA	
COc1ccc(CN2C(=O)N[C@@H](CC(=O)N[C@H](CO)C(C)C)C2=O)cc1	217617427	HHXHXRHBKAOQNL-LSDHHAIUSA-N	363.414	0.639	70	50	FCIA	biogenic
Cc1cc(C(=O)N[C@H]2C[C@H](c3nnc(CN(C)C)n3C)C2)c(=O)[nH]c1C	218123083	KOFVIKIXEKQPFC-BETUJISGSA-N	358.446	0.858	70	50	FCIA	
Cn1nc2cccc(S(=O)(=O)N3CCCn4nc(CO)cc4C3)c2n1	216962608	DHMFIGHTYKRMRA-UHFFFAOYSA-N	362.415	0.252	70	50	FCIA	
O=C(CN1CCCCCC1=O)NC[C@H](c1ccccn1)N1CCOCC1	217165582	YHIZHKLUTMLFIG-QGZVFWFLSA-N	360.458	0.974	70	50	FCIA	
CN1CCN(S(=O)(=O)N[C@@H]2CCOC[C@H]2Oc2cccc(F)c2)CC1	218188453	NQPBZPZULZEZPI-HZPDHXFCSA-N	373.450	0.444	70	50	FCIA	
COc1ccc(S(N)(=O)=O)cc1C(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2OC	216924820	HHJYREFQAWOQLZ-HBYGRHMLSA-N	354.428	0.840	70	50	FCIA	
Cn1cc(CC(=O)N2CCn3nc([C@H](O)CO)cc3C2)c2ccccc21	217587252	WARUHKFDTWDQGS-GOSISDBHSA-N	354.410	0.985	70	50	FCIA	
Cc1nccc(C(=O)N2CCn3nc([C@H](O)c4ccnn4C)cc3C2)n1	218514066	ZFPYJYAWQWRURP-INIZCTEOSA-N	353.386	0.453	70	50	FCIA	
O=C1COc2cc(C(=O)N[C@H]3[C@H]4CCO[C@H]4[C@@H]3N3CCCC3)ccc2N1	218037173	PVQUNZBHVNHMAD-QRVDHSFSSA-N	357.410	0.999	70	50	FCIA	
Cc1cc2c(cc1C(=O)N[C@@H]1CCOC[C@H]1OCC(N)=O)OCCO2	218103662	YSNQNUICBZKNMZ-IUODEOHRSA-N	350.371	0.155	70	50	FCIA	
Cc1cc(=O)n(CC(=O)N[C@@H]2COCC[C@@H]2OCc2ccccn2)nc1C	218179571	SSRXOKLHMRCNHX-SJORKVTESA-N	372.425	0.746	70	50	FCIA	
O=C(Cn1nnc(-c2ccccc2)n1)NCc1nc(-c2cnccn2)n[nH]1	218416735	JRHWZNPBPCJJOB-UHFFFAOYSA-N	362.357	0.232	70	50	FCIA	
C[C@H](NC(=O)CCn1ccc(=O)[nH]c1=O)c1ccc2c(c1)OCCCO2	218303341	YLQPNYRJMRLHHQ-LBPRGKRZSA-N	359.382	0.965	70	50	FCIA	
Cc1cc(C)n2nc(C(=O)N[C@H]3[C@H]4CCO[C@H]4[C@@H]3N3CCCC3)nc2n1	218211595	FMQGKKOEHBRCFP-LXTVHRRPSA-N	356.430	0.723	70	50	FCIA	
Cn1ncc(N2CCN(C(=O)CCN3CCCCCC3=O)CC2)cc1=O	217995248	IYCGPQQCXRRBMR-UHFFFAOYSA-N	361.446	0.222	70	50	FCIA	
CN1CCN(C)[C@@H](CC(=O)N2CCc3nnc(-c4ccccc4)n3CC2)C1	217386263	PBGFFWMYYDBMED-KRWDZBQOSA-N	368.485	0.966	70	50	FCIA	
Cn1ccn2ncc(C(=O)N[C@H]3C[C@H](c4nnc(CO)n4C4CC4)C3)c12	218286283	ZOJOUXMSYHZPIZ-PHIMTYICSA-N	355.402	0.768	70	50	FCIA	
CSCC[C@@H](CO)NC(=O)Cn1nc(-n2nc(C)cc2C)ccc1=O	218154683	MVEAHWBACYBCCD-ZDUSSCGKSA-N	365.459	0.276	70	50	FCIA	
Cc1cccc(=O)n1CCCNC(=O)CCN(C)[C@@H]1CCS(=O)(=O)C1	217617423	BYVGIBIUKXGROH-OAHLLOKOSA-N	369.487	0.172	70	50	FCIA	
Cc1nccn1CCNC(=O)C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O	218224507	LXZALAABOSERMO-INIZCTEOSA-N	369.425	0.861	70	50	FCIA	
Cn1cc([C@H](NC(=O)c2nc3ccccc3[nH]c2=O)[C@H]2C[C@H](O)C2)cn1	218336230	OXHRUVGHNSUMTF-IFUGULHKSA-N	353.382	0.899	70	50	FCIA	
O=C(C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)NCCn1cccn1	218467544	QGHYHDVVPWHTQT-HNNXBMFYSA-N	355.398	0.553	70	50	FCIA	
Cn1ncc(N2CCN(C(=O)CC3=CSC4=NCCCN34)CC2)cc1=O	218429944	SWZDLLWYXSAFAA-UHFFFAOYSA-N	374.470	0.469	70	50	FCIA	
CN1C(=O)COc2ccc(C(=O)N3CC[C@@H]4NCCC[C@@]4(CO)C3)cc21	216925933	BSHCNOFGIGTVQA-LPHOPBHVSA-N	359.426	0.618	70	50	FCIA	
COc1c2c(c(S(=O)(=O)NC(C)C)c3c1C(=O)N(C)CC3)OCO2	218081989	FJIOKEMJIXVURZ-UHFFFAOYSA-N	356.400	0.739	70	50	FCIA	biogenic
COc1cccc(CN2CCN(C(=O)Cn3nc(C)cc3N)CC2=O)c1	217811795	ADTVQNHNUHZLQZ-UHFFFAOYSA-N	357.414	0.653	70	50	FCIA	
O=C(CCn1[nH]c(=O)c2ccccc2c1=O)N[C@@H]1c2ccccc2C[C@H]1O	159898089	YYDZSGBIEXGTRA-SJLPKXTDSA-N	365.389	0.854	70	50	FCIA	
CO[C@@H]1CCOC[C@H]1NC(=O)c1ccccc1N1CCS(=O)(=O)CC1	218373213	ZFHBIQOJTSXRCF-GDBMZVCRSA-N	368.455	0.455	70	50	FCIA	
O=C(N[C@@H]1CS(=O)(=O)C[C@H]1O)c1ccc(N2CCCC2)c(Cl)c1	218238059	AEPCWUCBQARKNG-TZMCWYRMSA-N	358.847	0.828	70	50	FCIA	
Cc1nc(C2CCN(C(=O)CCN(C)[C@H]3CCS(=O)(=O)C3)CC2)no1	217364176	RLUDLVGFPMPKCB-AWEZNQCLSA-N	370.475	0.593	70	50	FCIA	
O=C(NCc1n[nH]c(=O)[nH]1)[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1	218490422	RDZAOBRRZRFGIF-QMMMGPOBSA-N	356.308	0.655	70	50	FCIA	
O=C(C[C@@H](c1ccccc1)n1cnnn1)N1CC(CS(=O)(=O)F)C1	2325887757	WKWXQIFVPSROSJ-ZDUSSCGKSA-N	353.379	0.410	70	50	FCIA	
CCc1nccn1CCC(=O)N1CCN(c2cc(C)nc3ncnn23)CC1	217402315	ZTGDRWDBZKARTJ-UHFFFAOYSA-N	368.445	0.931	70	50	FCIA	
NC(=O)C[C@@H](c1cccc(O)c1)c1oc(CN2CCOCC2)cc(=O)c1O	218090750	WPBAXRLVFFQEST-HNNXBMFYSA-N	374.393	0.891	70	50	FCIA	biogenic
Cc1cccc2ncc(C(=O)N3CCCn4nc(CO)cc4C3)c(=O)n12	217655216	USUFHHTXZLUDTI-UHFFFAOYSA-N	353.382	0.738	70	50	FCIA	
Cn1cc([C@H](NC(=O)c2cc(-n3cnnn3)ccc2O)C2CC(O)C2)cn1	218016035	LDMBXKHSHRGXHR-YYXKQKMLSA-N	369.385	0.343	70	50	FCIA	
Cc1cc(=O)[nH]c(S[C@H](C)C(=O)NCc2nnnn2-c2ccccc2)n1	217635375	AYMJQRCOBACBSN-LLVKDONJSA-N	371.426	0.851	70	50	FCIA	
Cc1ccc2c(c1)N(CC(=O)NCCc1nc(N)cc(O)n1)C(=O)CO2	218110235	JRMJTFJYJJWOEG-UHFFFAOYSA-N	357.370	0.157	70	50	FCIA	
O=C(CCn1ccc(=O)[nH]c1=O)N1CCCN(Cc2cccnc2)CC1	216943716	DJXYIUNPSLLWBC-UHFFFAOYSA-N	357.414	0.056	70	50	FCIA	
Cc1cc(S(=O)(=O)NCC(=O)NCCc2csc(N)n2)ccc1F	218179299	VBOUHXANHWLFTG-UHFFFAOYSA-N	372.447	0.810	70	50	FCIA	
CCN1CCN(CC(=O)N[C@@H]2CCOC[C@H]2OCc2cscn2)CC1	218647471	VHIYGNJRLGNYTO-HZPDHXFCSA-N	368.503	0.571	70	50	FCIA	
O=C(CSc1ncccn1)NC1CCN(C(=O)N2CCOCC2)CC1	217040269	ISWJRRJHSQGYFP-UHFFFAOYSA-N	365.459	0.602	70	50	FCIA	
Cc1nonc1C(=O)N1CCCn2nc([C@H](O)c3ccnn3C)cc2C1	218111963	GROUSIHYCCAUPG-HNNXBMFYSA-N	357.374	0.436	70	50	FCIA	
Cn1nccc1[C@H](O)c1cc2n(n1)CCN(S(=O)(=O)c1ccccc1)C2	218363137	GIBNCYILSSNEOV-QGZVFWFLSA-N	373.438	0.903	70	50	FCIA	
COc1ccc(CN2CCN(C(C)=O)[C@H]3CS(=O)(=O)C[C@H]32)cc1O	216873173	FCTQFWSKDGOIHP-KGLIPLIRSA-N	354.428	0.231	70	50	FCIA	
O=c1[nH]c2cc(S(=O)(=O)N3CCCn4nc(CO)cc4C3)ccc2o1	216981230	RMNXGOOCZJEGOI-UHFFFAOYSA-N	364.383	0.405	70	50	FCIA	
Cc1cccc2nc(C(=O)N3CCCn4nc([C@@H](O)CO)cc4C3)cn12	217894830	RLCFHADRLRCSMU-INIZCTEOSA-N	355.398	0.911	70	50	FCIA	
COc1ccc(CCN2C(=O)N[C@@H](CC(=O)NC3CC3)C2=O)cc1OC	218289901	JWYLMBXKQFZKOG-ZDUSSCGKSA-N	361.398	0.835	70	50	FCIA	
O=C(CC[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)NCCn1cccn1	218130487	XXWAQGMEBSASSV-INIZCTEOSA-N	369.425	0.943	70	50	FCIA	
O=C1NCC(=O)N2CCN(C(=O)Cc3ccc(C(F)(F)F)cc3)C[C@H]12	218056989	REQWKNVBJXXDFR-GFCCVEGCSA-N	355.316	0.417	70	50	FCIA	
O=C(N[C@@H]1CCCN(c2ncccn2)C1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1	218264668	MLYSYRQUHZQBBV-GFCCVEGCSA-N	366.381	0.405	70	50	FCIA	
Cn1cc(CNC(=O)c2ccc3c(c2)nc(N2CC[C@H](O)C2)n3C)cn1	217201032	SSKVOKJFOCLIKB-AWEZNQCLSA-N	354.414	0.808	70	50	FCIA	
Cc1ccn2c(C(=O)N[C@H](Cc3ccccn3)[C@H]3C[C@H](O)C3)nnc2n1	218302289	BYTZJQINSDZFDK-VHDGCEQUSA-N	352.398	0.940	70	50	FCIA	
CS(=O)(=O)N1CCC[C@H]1C(=O)N1CCOc2ccc(CO)cc2C1	218507131	WAZWUKHBUVKYLS-AWEZNQCLSA-N	354.428	0.324	70	50	FCIA	
Cc1noc(C)c1CO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CCCC1	218700567	SSUICTYFBXYIAL-HUUCEWRRSA-N	351.403	0.704	70	50	FCIA	
C[C@@H](NC(=O)CCn1ccc(=O)[nH]c1=O)c1ccc2c(c1)OCCCO2	218303291	YLQPNYRJMRLHHQ-GFCCVEGCSA-N	359.382	0.965	70	50	FCIA	
CC(C)Cc1cc(C(=O)N2CCN(CCn3cncn3)CC2)nc(=O)[nH]1	218194857	PYIPJFQKVXCPOB-UHFFFAOYSA-N	359.434	0.018	70	50	FCIA	
NC(=O)c1ccc(OCCCN2CCn3nc([C@H](O)CO)cc3C2)cc1	217384271	LAVMJBJERRLWET-QGZVFWFLSA-N	360.414	0.292	70	50	FCIA	
O=C(NCCc1csc(-c2ccncc2)n1)c1c[nH]nc1-n1cnnn1	218556277	MLPFQLVTGDIYNV-UHFFFAOYSA-N	367.398	0.876	70	50	FCIA	
O=C(CN1CCOCC1)N[C@@H]1CCOC[C@H]1Oc1ccc(CO)cc1	218727251	ZMRLRBGFKSNBFZ-IAGOWNOFSA-N	350.415	0.164	70	50	FCIA	
O=C(CCc1n[nH]c2c1CCCC2)N1CCn2nc([C@@H](O)CO)cc2C1	217049233	BFJUBWSUKGXVGD-KRWDZBQOSA-N	359.430	0.486	70	50	FCIA	
O=C(Cn1cnc2ccccc21)N1CCCn2nc([C@H](O)CO)cc2C1	217187778	DBMGJIOTBBPWOX-QGZVFWFLSA-N	355.398	0.691	70	50	FCIA	
Cc1cc(N2CCC[C@H](N3CCN(S(=O)(=O)F)CC3)C2=O)n(C)n1	1875368316	IOCWELHCILKJBR-LBPRGKRZSA-N	359.427	0.056	70	50	FCIA	
Cc1nn(C)cc1S(=O)(=O)N[C@@H]1CCOC[C@H]1OCc1cscn1	218751764	QCWLXNOLKACXSC-CHWSQXEVSA-N	372.472	0.838	70	50	FCIA	
Cn1c(CCCNC(=O)CCc2nnc(O)[nH]c2=O)nc2ccccc21	218603567	DCOGLYASXNDMCN-UHFFFAOYSA-N	356.386	0.439	70	50	FCIA	
Cn1c(=O)oc2ccc(C(=O)N3CCn4nc([C@@H](O)CO)cc4C3)cc21	217003467	QJQBBJLESCDSCO-AWEZNQCLSA-N	358.354	0.010	70	50	FCIA	
O=C(Cn1cccn1)N1CC[C@H]2[C@H](CCC(=O)N2CCc2cnc[nH]2)C1	216810942	SJPAMLUELZEIJJ-ZBFHGGJFSA-N	356.430	0.688	70	50	FCIA	
Cc1cc(S(=O)(=O)NCC(=O)N2CCc3n[nH]cc3C2)ccc1F	217779123	CNRCLSPFDWAPOD-UHFFFAOYSA-N	352.391	0.720	70	50	FCIA	
C[C@H](O)c1cc2n(n1)CCN(C(=O)c1nc3ccccc3n(C)c1=O)C2	217765901	SFBGSUXPJRAHKN-NSHDSACASA-N	353.382	0.839	70	50	FCIA	
CC1(C)NC(=O)N(CC(=O)N2CCC[C@H]2c2nnc3ccccn23)C1=O	218286734	JJNTYRVLRQSRNP-NSHDSACASA-N	356.386	0.723	70	50	FCIA	
C[C@@H]1CO[C@H](CO)CN1S(=O)(=O)c1ccc(S(=O)(=O)F)cc1	1776007614	PBTLAWFVEMOYOF-ZJUUUORDSA-N	353.393	0.115	70	50	FCIA	
O=C(c1cncc(N2CCCn3nc(CO)cc3C2)n1)N1CCOCC1	217156615	QAGRPKSJCDQRIY-UHFFFAOYSA-N	358.402	0.048	70	50	FCIA	
COc1ccc([C@H](NC(=O)Cc2cnc(C)[nH]c2=O)[C@H]2C[C@@H](O)C2)cn1	218407614	LJDUWPNCASYSEQ-JDFRZJQESA-N	358.398	0.653	70	50	FCIA	
O=C(c1ccccc1N1CCOCC1)N1CCN(Cc2nnc[nH]2)CC1	217965749	DYKVCBVXHXJUJK-UHFFFAOYSA-N	356.430	0.599	70	50	FCIA	
O=C(COc1ccc2nncn2n1)NC1CCN(Cc2ccncc2)CC1	218337080	FIVUGTWYJFOMKG-UHFFFAOYSA-N	367.413	0.679	70	50	FCIA	
CSCC[C@@H](CO)NC(=O)C[C@@H]1NC(=O)N(Cc2ccco2)C1=O	217737071	GDAGUZXGQPUPAF-JQWIXIFHSA-N	355.416	0.320	70	50	FCIA	biogenic
CN(C)C[C@@H](O)c1cc2n(n1)CCN(C(=O)c1cnc(C3CC3)nc1)C2	218242372	KVAGTCDLHXVRRD-MRXNPFEDSA-N	356.430	0.802	70	50	FCIA	
NC(=O)c1ccc(CNS(=O)(=O)c2cccc(S(=O)(=O)F)c2)cn1	864242324	BPXVCUTZRKVBCL-UHFFFAOYSA-N	373.387	0.317	70	50	FCIA	
Cc1cc(=O)c(O)c([C@H](CC(N)=O)c2ccc3c(c2)n(C)c(=O)n3C)o1	217694603	VCMGVYRYUQYQHS-LLVKDONJSA-N	357.366	0.852	70	50	FCIA	biogenic
CN1C[C@H](NC(=O)N[C@H](Cc2ccccc2)CN2CCOCC2)CCC1=O	159678118	HNOKVZLHROUXPK-QZTJIDSGSA-N	374.485	0.850	70	50	FCIA	
Cc1ccc2[nH]c(CCC(=O)N[C@@H]3CS(=O)(=O)C[C@H]3O)nc2c1C	217352728	BQLUHHFQGGKXNO-CHWSQXEVSA-N	351.428	0.386	70	50	FCIA	
CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N(C)Cc1nc(-c2ccccn2)no1	218013639	BLMWJWSOWDTWNW-AWEZNQCLSA-N	369.385	0.561	70	50	FCIA	
NS(=O)(=O)c1ccc(C(=O)NCc2ccccc2-n2cncn2)cc1	217878161	WNIUFEBYPRRHHB-UHFFFAOYSA-N	357.395	0.845	70	50	FCIA	
O=C(N[C@H](CCn1cncn1)c1ccccc1)c1c[nH]c2ncnn2c1=O	217885038	UNOUKTCNSBSCLY-CQSZACIVSA-N	364.369	0.571	70	50	FCIA	
C[C@H]1CO[C@@H](CO)CN1S(=O)(=O)c1ccc(S(=O)(=O)F)cc1	1776007613	PBTLAWFVEMOYOF-VHSXEESVSA-N	353.393	0.115	70	50	FCIA	
CN(Cc1n[nH]c2c1CCCCC2)C(=O)CN(C)[C@H]1CCS(=O)(=O)C1	218274416	IULBORXQBSYNNK-ZDUSSCGKSA-N	368.503	0.756	70	50	FCIA	
O=C(c1cccc2c1OCCO2)N1CCN(c2ccnc3nncn23)CC1	217999262	DCZPVFFCTSUDQJ-UHFFFAOYSA-N	366.381	0.858	70	50	FCIA	
Cn1nccc1[C@H](O)c1cc2n(n1)CCN(C(=O)Cc1cncs1)C2	218198175	LZUSBHSSKLEGDG-MRXNPFEDSA-N	358.427	0.740	70	50	FCIA	
COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)COc1ccc(-n2cnnn2)cc1	218529828	UOZDRARHIDRYBI-ABFRBSLYSA-N	359.386	0.207	70	50	FCIA	
CS(=O)(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)c1ccc3c(c1)OCCO3)C2	216960006	AYSJKYGOWFTUJT-OCCSQVGLSA-N	366.439	0.954	70	50	FCIA	
Cc1nnnn1CCC(=O)N[C@@H](c1ccc2c(c1)CCO2)C1CC(O)C1	218605895	IWKOCRPHGVMNSB-JMLCCBQJSA-N	357.414	0.935	70	50	FCIA	
O=C1CCSc2ccc(S(=O)(=O)N[C@@H]3COCC[C@H]3O)cc2N1	218310155	VCTOKSXLRFIWLD-VXGBXAGGSA-N	358.441	0.549	70	50	FCIA	
CCn1nccc1S(=O)(=O)N[C@@H]1CCOC[C@H]1OCc1ccccn1	218591634	LTMJXUZCZAZGTR-HUUCEWRRSA-N	366.443	0.951	70	50	FCIA	
Cc1noc(CCNC(=O)CC[C@@H]2NC(=O)c3ccccc3NC2=O)n1	217776927	QYDPIPRKQYLORM-ZDUSSCGKSA-N	357.370	0.568	70	50	FCIA	biogenic
Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCCc1nccc(-c2ccccc2)n1	217478677	QYXLNORODBBQMP-UHFFFAOYSA-N	365.393	0.730	70	50	FCIA	
COc1cncc([C@@H](NC(=O)CCN(C)S(C)(=O)=O)[C@H]2C[C@@H](O)C2)c1	218088298	FGFONQCSTKOJEJ-RBOXIYTFSA-N	371.459	0.300	70	50	FCIA	
Cc1[nH]c2ncnn2c(=O)c1CCC(=O)N[C@H](CO)Cc1ccccc1	218406634	DRNMTEQTSZDEOZ-AWEZNQCLSA-N	355.398	0.378	70	50	FCIA	
CN(C)S(=O)(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)Cc1cccnc1)C2	216668151	QIOPQBTZPAUJNY-CABCVRRESA-N	352.460	0.353	70	50	FCIA	
O=C(CCn1ccc(=O)[nH]c1=O)NCCc1nccc(-c2ccccc2)n1	217797623	JGIWPANYLYDKBZ-UHFFFAOYSA-N	365.393	0.743	70	50	FCIA	
Cc1[nH]c2cc(=O)[nH]n2c(=O)c1CCC(=O)N[C@H](CO)Cc1ccccc1	218484208	LOCQTTOLJFLEKJ-AWEZNQCLSA-N	370.409	0.277	70	50	FCIA	
O=S(=O)(CCN1CCn2nc([C@@H](O)CO)cc2C1)c1ccccc1	217967872	DHOPGLOPJKIHDH-INIZCTEOSA-N	351.428	0.198	70	50	FCIA	
Cc1ccn(CC(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C(N)=O)cc2)n1	218360326	CTCYEZBGAUIGDR-HZPDHXFCSA-N	358.398	0.643	70	50	FCIA	
O=C(CN1CCn2nc([C@H](O)CO)cc2C1)N1CCOc2ccccc21	217879690	KMGQZEGBMIHTBK-MRXNPFEDSA-N	358.398	0.150	70	50	FCIA	
O=C(CNc1c(NCc2ccc3c(c2)OCO3)c(=O)c1=O)N1CCCC1	218422208	LKMAITCECVMLOZ-UHFFFAOYSA-N	357.366	0.658	70	50	FCIA	
O=C(N[C@H](CO)c1ccccc1)C1CCN(c2ccc3nnnn3n2)CC1	218158128	QOHOBFUSGZSOKR-OAHLLOKOSA-N	367.413	0.586	70	50	FCIA	
CN(C)CCO[C@@H]1COCC[C@H]1NC(=O)c1ccc2c(c1)OCC(=O)N2	218558326	WZHADYSWLFYDPC-GDBMZVCRSA-N	363.414	0.483	70	50	FCIA	
Cc1nc2c(c(=O)n1C)CN(C(=O)C1(N3CCOCC3)CCCCC1)C2	217613538	XMEYMSXRNVOHFY-UHFFFAOYSA-N	360.458	0.966	70	50	FCIA	
O=C(CN1CCCn2nc([C@@H](O)CO)cc2C1)N1CCc2ccccc21	217652207	RSTOZFKDSNLDBA-SFHVURJKSA-N	356.426	0.704	70	50	FCIA	
CC(=O)c1cc(CN2CCn3nc([C@H](O)CC(=O)N(C)C)cc3C2)n(C)c1	218183824	KYZKPDAJGXPBIL-GOSISDBHSA-N	373.457	0.952	70	50	FCIA	
Cc1nc2ncnn2c(C)c1CCC(=O)N1CCn2nc(CO)cc2C1	217743361	QVULUAAPGDJBRX-UHFFFAOYSA-N	355.402	0.405	70	50	FCIA	
CN1C(=O)N(C)C2(CCN(C(=O)CN3Cc4ccccc4C3)CC2)C1=O	217103401	IQHQTANWMWKMJJ-UHFFFAOYSA-N	356.426	0.887	70	50	FCIA	
CNC(=O)[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2ccc3[nH]ncc3c2)C1	160755537	MNCWDVRMGMSYHK-WCQYABFASA-N	357.414	0.666	70	50	FCIA	
Cc1cc(O)n2nc(CC(=O)NCCc3nc(C)c4c(n3)CCC4)nc2n1	216996515	BKJXRSXZVWXFKX-UHFFFAOYSA-N	367.413	0.627	70	50	FCIA	
CN(C)Cc1nc(C(=O)N2CCCn3nc([C@H](O)CO)cc3C2)cs1	217499396	UIOHOQPTVCWSED-CQSZACIVSA-N	365.459	0.473	70	50	FCIA	
O=C(CN1CCCn2nc([C@@H](O)CO)cc2C1)NCc1ccccc1F	217673163	XVAPXBCUFJAJKD-KRWDZBQOSA-N	362.405	0.570	70	50	FCIA	
COCCNC(=O)C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O	217779128	SCKZFGHUSBPUDS-HNNXBMFYSA-N	358.398	0.784	70	50	FCIA	biogenic
Nc1nc(C2CC(N)C2)cc(N2CCN(CC(=O)N3CCCCC3)CC2)n1	218466054	YAWOHYPCISXEJK-UHFFFAOYSA-N	373.505	0.398	70	50	FCIA	
O=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)c1ccn2nnnc2c1	218373113	AWNNRURTCDXWQY-CHWSQXEVSA-N	360.399	0.685	70	50	FCIA	
Cn1c(Cn2cccn2)nnc1[C@H]1C[C@@H](NC(=O)c2ccc(N)nc2)C1	218222029	NKQUPFQHGBGJQP-JOCQHMNTSA-N	352.402	0.713	70	50	FCIA	
CN(CC(=O)N1CCC2(CC1)C(=O)NCCCN2C)Cc1cccnc1	217180679	KEOAZJRBSSXPHP-UHFFFAOYSA-N	359.474	0.326	70	50	FCIA	
O=C(CN1CCN(c2ncccn2)CC1)N1CCC(c2cc[nH]n2)CC1	218066931	WBGGAMVHYVFKRH-UHFFFAOYSA-N	355.446	0.728	70	50	FCIA	
Cn1c(CN2CCCN(C(=O)c3ccoc3)CC2)nnc1[C@H]1C[C@@H](N)C1	218281674	WUAANDHNAARRFU-SHTZXODSSA-N	358.446	0.961	70	50	FCIA	
Cc1[nH]c2cc(=O)[nH]n2c(=O)c1CCC(=O)N[C@H](CO)c1ccccc1	218483550	HYNILAZFVKPEPE-CQSZACIVSA-N	356.382	0.407	70	50	FCIA	
O=C(NCc1n[nH]c(=O)[nH]1)[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1	218490343	RDZAOBRRZRFGIF-MRVPVSSYSA-N	356.308	0.655	70	50	FCIA	
Cc1cc(C(=O)N2CCn3nc([C@@H](O)CO)cc3C2)c2c(C)noc2n1	217709967	YGLLBIVSDMWBPO-AWEZNQCLSA-N	357.370	0.718	70	50	FCIA	
Cc1cccc2nc(C(=O)N3CCCn4nc([C@H](O)CO)cc4C3)cn12	217894909	RLCFHADRLRCSMU-MRXNPFEDSA-N	355.398	0.911	70	50	FCIA	
O=C(N[C@H]1CCCN(c2ncccn2)C1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1	218264712	MLYSYRQUHZQBBV-LBPRGKRZSA-N	366.381	0.405	70	50	FCIA	
CS(=O)(=O)N1CCC[C@H]1C(=O)NCCc1nc(-c2cccnc2)no1	218534022	SEIYLXLHZGTXRD-LBPRGKRZSA-N	365.415	0.214	70	50	FCIA	
Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCc3n[nH]cc3C2)o1	217137500	JTXULARJNISEGO-INIZCTEOSA-N	357.414	0.587	70	50	FCIA	
CN(C)CCO[C@H]1CCOC[C@H]1NC(=O)c1nc2ccccc2[nH]c1=O	218363351	KHOLCOHVCWONSZ-CABCVRRESA-N	360.414	0.389	70	50	FCIA	
O=C(c1sccc1S(=O)(=O)N1CCCC1)N1CC[C@@H](CO)[C@@H](O)C1	216892118	WIQRVQSTSIVCMN-RYUDHWBXSA-N	374.484	0.348	70	50	FCIA	
Cc1cc(C)n2ncc(CN3CCCn4nc([C@@H](O)CO)cc4C3)c2n1	217209757	ANBGHIGPZWFSET-KRWDZBQOSA-N	356.430	0.974	70	50	FCIA	
CN(C[C@@H]1Cc2ccccc2CN1C)C(=O)c1c[nH]c2ncnn2c1=O	217575161	OTXZPRPCPCNVEJ-AWEZNQCLSA-N	352.398	0.546	70	50	FCIA	
Cc1noc(C)c1CO[C@H]1CCOC[C@H]1NC(=O)Cn1ccccc1=O	218317553	DNPQSOXFSBGYNF-CVEARBPZSA-N	361.398	0.944	70	50	FCIA	
O=C1CCc2cc(S(=O)(=O)N3CCn4nc(CO)cc4C3)ccc2N1	217023872	IJPRVVXQNRKTNA-UHFFFAOYSA-N	362.411	0.465	70	50	FCIA	
COc1cccc(N2CCN(c3nccc(N4CC[C@@H](O)C4)n3)CC2=O)c1	216903877	HCPRMXOAKQARFU-OAHLLOKOSA-N	369.425	0.909	70	50	FCIA	
O=C(N[C@@H]1COCC[C@@H]1OCC1CC1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1	218399843	GBDRYWDNYQNSDV-CABCVRRESA-N	359.382	0.530	70	50	FCIA	
N[C@@H]1CCN(C(=O)CS(=O)(=O)Cc2cccc(Br)c2)C1	160271830	NGAXSLWJZUZTMO-GFCCVEGCSA-N	361.261	0.924	70	50	FCIA	
O=C(c1c[nH]nc1-n1cnnn1)N1CCN(C2Cc3ccccc3C2)CC1	218703654	FWJXYIOGJKESRH-UHFFFAOYSA-N	364.413	0.311	70	50	FCIA	
CN(C)Cc1cc2n(n1)CCN(c1nccc(N3CCC[C@@H](O)C3)n1)C2	216682053	MSZDXGRFFHVACF-MRXNPFEDSA-N	357.462	0.716	70	50	FCIA	
Cn1ccnc1CN1CCN(C(=O)[C@@H](c2ccccc2)n2cnnn2)CC1	217556938	CSVSDRVNNPKMKG-QGZVFWFLSA-N	366.429	0.340	70	50	FCIA	
O=C(Cn1cnc2ccccc2c1=O)NCCc1noc([C@@H]2CCCO2)n1	217631057	GVYAIHARYHUJFN-AWEZNQCLSA-N	369.381	0.990	70	50	FCIA	
CS(=O)(=O)CCC(=O)N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1ccccn1	216869449	YHJBYNMSOBOELY-HIFRSBDPSA-N	365.455	0.466	70	50	FCIA	
CN(Cc1n[nH]c2c1CCCCC2)C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1	218274373	IULBORXQBSYNNK-CYBMUJFWSA-N	368.503	0.756	70	50	FCIA	
O=C1NCC(=O)N2CCN(C(=O)Cc3ccc(C(F)(F)F)cc3)C[C@@H]12	218056933	REQWKNVBJXXDFR-LBPRGKRZSA-N	355.316	0.417	70	50	FCIA	
O=C(C[C@H](c1ccccc1)n1cnnn1)N1CC(CS(=O)(=O)F)C1	2325887756	WKWXQIFVPSROSJ-CYBMUJFWSA-N	353.379	0.410	70	50	FCIA	
O=C(CCc1nc2ccccc2nc1O)N1CCn2nc(CO)cc2C1	217956565	VDWSVRDCEJODKA-UHFFFAOYSA-N	353.382	0.999	70	50	FCIA	
COc1ccc(N2C(=O)N[C@@H](CC(=O)NCCc3c[nH]cn3)C2=O)cc1	218011877	LQWSFAQIBACHAJ-AWEZNQCLSA-N	357.370	0.592	70	50	FCIA	biogenic
O=C(Nc1ccc(OS(=O)(=O)F)cc1)N1CCN2CCOC[C@@H]2C1	1875382609	IVTAHOJJSOLFDF-LBPRGKRZSA-N	359.379	0.828	70	50	FCIA	
O=C(N[C@@H]1C[C@@H]2OCC[C@@H]21)c1ccccc1N1CCS(=O)(=O)CC1	217752616	COYVTBZAKGZZLI-XPKDYRNWSA-N	350.440	0.829	70	50	FCIA	
O=C(NCCSc1ncn[nH]1)C1CCN(C(=O)c2ccccn2)CC1	218245126	ORBXJYHLHVRLDV-UHFFFAOYSA-N	360.443	0.960	70	50	FCIA	
C[C@@H](C(=O)NCCCNC(=O)C(F)(F)F)N1C(=O)c2ccccc2C1=O	216849292	FBRMBPYVOWFDJM-VIFPVBQESA-N	371.315	0.856	70	50	FCIA	
C[C@H](O)c1cc2n(n1)CCN(C1CCN(C(=O)c3cnccn3)CC1)C2	217130222	ALINTNCSTUAVKS-ZDUSSCGKSA-N	356.430	0.847	70	50	FCIA	
CNS(=O)(=O)c1cc(C(=O)N2CCN(c3cc(C)ccn3)CC2)co1	159833941	OVJUVUUVUUTFKF-UHFFFAOYSA-N	364.427	0.854	70	50	FCIA	
CCn1nc(CO)c2c1CCN(C(=O)Cn1cnc3ccsc3c1=O)C2	218489966	BCUMHPLJZDYOFQ-UHFFFAOYSA-N	373.438	0.752	70	50	FCIA	
CC(=O)N[C@@H](CCC(N)=O)C(=O)N(C)Cc1nc2cc(Cl)ccc2[nH]1	218082608	VIIKCNMNQFWRBH-LBPRGKRZSA-N	365.821	0.945	70	50	FCIA	
COc1ncccc1C(=O)N1CCCN(S(=O)(=O)N2CCCC2)CC1	217145667	SHRWBABIFCGIGX-UHFFFAOYSA-N	368.459	0.579	70	50	FCIA	
CC(=O)N[C@@H](CCC(N)=O)C(=O)N1CC(Oc2cccc(Cl)c2)C1	217338130	GXFUAMAGAXWERY-AWEZNQCLSA-N	353.806	0.700	70	50	FCIA	
O=S(=O)(c1c(Cl)nc2sccn12)N1CCn2nc(CO)cc2C1	217385484	YFFDRZUUCYEBAH-UHFFFAOYSA-N	373.847	0.943	70	50	FCIA	
CS(=O)(=O)N[C@@H]1[C@@H](NC(=O)c2cc3sccc3[nH]2)[C@H]2CCO[C@H]21	218735465	GLSSQKCDPCTXJU-SZOBPAOMSA-N	355.441	0.664	70	50	FCIA	
COc1cc2c(cc1CN1CCn3nc([C@H](O)CO)cc3C1)OCCO2	216967152	BQFIIXDSGTTXKD-OAHLLOKOSA-N	361.398	0.704	70	50	FCIA	
O=S(=O)(c1cccc2c1OCCO2)N1CCCn2nc(CO)cc2C1	217344651	GVVVUPDUAQFLJI-UHFFFAOYSA-N	365.411	0.741	70	50	FCIA	
COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NS(=O)(=O)c1cccc2nn(C)nc12	218202875	QAVCEWDHGCNZLM-VWFLFCASSA-N	352.416	0.297	70	50	FCIA	
CN(C)C(=O)CO[C@@H]1COCC[C@H]1NC(=O)Cc1cn2ccsc2n1	218303143	DBYDIZGGSTUGDI-CHWSQXEVSA-N	366.443	0.317	70	50	FCIA	
COc1ccc(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1N1CCOCC1	217138928	PCLQQQHEJJUFLT-CQSZACIVSA-N	368.455	0.791	70	50	FCIA	
CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCOc2ccc(CO)cc2C1	218668521	KYMJXCSYBZHLJG-INIZCTEOSA-N	358.398	0.370	70	50	FCIA	
O=C(Cc1ccc2c(c1)OCO2)N1CCCn2nc([C@H](O)CO)cc2C1	217700638	RPOMFODWKRONKH-OAHLLOKOSA-N	359.382	0.613	70	50	FCIA	
Cc1nc(CN2CCN(C(=O)c3cc(C(C)(C)C)nc(=O)[nH]3)CC2)no1	218219081	QVUVFGWZSCLIOE-UHFFFAOYSA-N	360.418	0.717	70	50	FCIA	
O=C(N[C@@H]1CCOC[C@H]1Oc1ccccn1)C1CCS(=O)(=O)CC1	218757943	GWZHUPQOXPPFGJ-ZIAGYGMSSA-N	354.428	0.559	70	50	FCIA	
CSCC[C@@H](CO)NC(=O)CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O	217602404	CGKKXCINGCIIBC-AAEUAGOBSA-N	369.443	0.710	70	50	FCIA	biogenic
COc1ccc(C(=O)N2CCN(S(=O)(=O)F)CC2)c(OC)c1OC	1875368421	PSILKUBBVQGOOL-UHFFFAOYSA-N	362.379	0.685	70	50	FCIA	
Cc1cn(CC(=O)NCc2csc(-c3ncccn3)n2)c(=O)[nH]c1=O	218537891	ZIXHRXIJAXCRLE-UHFFFAOYSA-N	358.383	0.075	70	50	FCIA	
Cn1nnc2ccc(NC(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)cc2c1=O	218253686	OUJIPTGUOGYLPF-LLVKDONJSA-N	367.365	0.909	70	50	FCIA	
CN(CC(=O)N1CCC[C@H](c2nnc(CO)n2C)C1)Cc1ccncc1	217014428	DPFLHDPBFCQCAY-HNNXBMFYSA-N	358.446	0.540	70	50	FCIA	
Cc1cc(=O)c2ccccc2n1CC(=O)NCCc1nc(N)cc(O)n1	218601589	NGIJAJPUPQOHHE-UHFFFAOYSA-N	353.382	0.747	70	50	FCIA	
Cn1ccnc1[C@H](O)c1cc2n(n1)CCN(c1ncnc3[nH]cnc13)C2	218680721	YYZODFCCHAFLCX-CYBMUJFWSA-N	351.374	0.385	70	50	FCIA	
COc1ccc([C@@H](NC(=O)Cc2cnc(C)[nH]c2=O)[C@H]2C[C@@H](O)C2)cn1	218407528	LJDUWPNCASYSEQ-SUYBPPKGSA-N	358.398	0.653	70	50	FCIA	
Cc1nc2cc(CC(=O)N3CCn4nc([C@H](O)CO)cc4C3)ccc2[nH]1	216982830	GJUZYPLGUYWVCJ-QGZVFWFLSA-N	355.398	0.678	70	50	FCIA	
Cc1cc(=O)c2ccccc2n1CC(=O)N[C@@H]1CCOC[C@H]1OCCO	218400123	VVBNDFMNBWQTLI-CRAIPNDOSA-N	360.410	0.593	70	50	FCIA	
COCCN1C(=O)[C@@H]2CC[C@H]1CN(CC(=O)NCc1cccs1)C2	216839666	KBGNQGVYKPRKAG-KGLIPLIRSA-N	351.472	0.934	70	50	FCIA	
Cc1ccc2nc(C)c(C(=O)N3CCn4nc([C@H](O)CO)cc4C3)n2c1	217497829	ONSSTHGCIWLOQS-OAHLLOKOSA-N	355.398	0.829	70	50	FCIA	
C[C@@H](C(=O)N1CCCN(S(=O)(=O)N2CCCCC2)CC1)n1cncn1	217052993	MLJPRVINRNHYAP-AWEZNQCLSA-N	370.479	0.104	70	50	FCIA	
Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](c1cnn(C)c1)C1CC(O)C1	217986692	VJQUSACQYDIKSP-UXUKBGGZSA-N	353.448	0.561	70	50	FCIA	
COc1ccc(N2C(=O)N[C@@H](CC(=O)NCCn3ccnc3)C2=O)cc1	218540772	ZSIBNOKSHVLJFG-AWEZNQCLSA-N	357.370	0.523	70	50	FCIA	
O=C(CN1CCCn2nc([C@H](O)CO)cc2C1)NCc1ccccc1F	217673260	XVAPXBCUFJAJKD-QGZVFWFLSA-N	362.405	0.570	70	50	FCIA	
COC[C@@H]1[C@@H](NC(=O)c2ccc(OCCNC(C)=O)cc2)[C@@H]2CCO[C@@H]21	218592168	XKKFLKUNPLEPKU-MHORFTMASA-N	362.426	0.981	70	50	FCIA	
Cc1nn(CCS(=O)(=O)F)c(C)c1S(=O)(=O)N1CCCCC1	883953301	PTZGMPQOLDAPCX-UHFFFAOYSA-N	353.441	0.974	70	50	FCIA	
CCOCCn1nc(C)cc1C(=O)N1CCn2nc([C@H](O)CO)cc2C1	217642710	NNODJWLCPLXDFT-MRXNPFEDSA-N	363.418	0.106	70	50	FCIA	
Cc1noc(C)c1CO[C@@H]1COCC[C@H]1NC(=O)C1=NNC(=O)CC1	218569001	VQURGUHBXQAWCM-TZMCWYRMSA-N	350.375	0.348	70	50	FCIA	
C[C@H](C(=O)NCCCNC(=O)C(F)(F)F)N1C(=O)c2ccccc2C1=O	216849262	FBRMBPYVOWFDJM-SECBINFHSA-N	371.315	0.856	70	50	FCIA	
CC1(C)NC(=O)N(CC(=O)N2CCC[C@@H]2c2nnc3ccccn23)C1=O	218286669	JJNTYRVLRQSRNP-LLVKDONJSA-N	356.386	0.723	70	50	FCIA	
O=C(NCCCO)[C@@H]1[C@H]2C=C[C@@]3(CN(c4ccc5c(c4)OCO5)C(=O)[C@H]13)O2	217516905	QBNLHAMXLJITFZ-RGPZOAQRSA-N	372.377	0.200	70	50	FCIA	biogenic
Cc1cc(C)n2nc(CC(=O)N3CCN(c4cnccn4)CC3)nc2n1	217650040	PHAFMGFHKFYKOU-UHFFFAOYSA-N	352.402	0.422	70	50	FCIA	
CCc1nc(C)ccc1OCC(=O)N1CCN(c2ncc[nH]c2=O)CC1	216970721	JUFTXXZWOXDFQH-UHFFFAOYSA-N	357.414	0.763	70	50	FCIA	
CN(C)S(=O)(=O)N1C[C@H]2CC[C@@H](C1)N(S(=O)(=O)c1ccccc1)C2	216717699	VOYXMDCPLRMTHR-KGLIPLIRSA-N	373.500	0.578	70	50	FCIA	
O=C(c1coc(CN2CCOCC2)c1)N1CCCn2nc(CO)cc2C1	216995402	UROGKYXMQMFREQ-UHFFFAOYSA-N	360.414	0.847	70	50	FCIA	
COc1ccccc1CN1C(=O)N[C@@H](CC(=O)Nc2cnn(C)c2)C1=O	218298764	YOFJWJZIUPUSND-ZDUSSCGKSA-N	357.370	0.878	70	50	FCIA	
C[C@H](O)CN1CCN(S(=O)(=O)c2cc(S(=O)(=O)F)cs2)CC1	2325887423	PWOCQDHYEZFNGU-VIFPVBQESA-N	372.465	0.093	70	50	FCIA	
Cn1nccc1[C@@H](O)c1cc2n(n1)CCN(C(=O)Cc1cncs1)C2	218198084	LZUSBHSSKLEGDG-INIZCTEOSA-N	358.427	0.740	70	50	FCIA	
O=C(Cn1ccc(=O)c2ccccc21)N1CCN(CCn2cncn2)CC1	218765841	MSAPTHCCYVSCSU-UHFFFAOYSA-N	366.425	0.437	70	50	FCIA	
O=C(Cn1c(=O)oc2ccccc21)NCc1nnnn1-c1ccccc1	217060005	LCWARDSTOVAIHL-UHFFFAOYSA-N	350.338	0.887	70	50	FCIA	
O=C(CCS(=O)(=O)c1ccccc1)N1CCCn2nc(CO)cc2C1	216945898	KMSNNPWTQVUZIA-UHFFFAOYSA-N	363.439	0.972	70	50	FCIA	
O=c1oc2ccccc2n1CCN1CCCn2nc([C@@H](O)CO)cc2C1	217646982	PIYHLEXKAOWCHL-INIZCTEOSA-N	358.398	0.723	70	50	FCIA	
Cc1ccc(N(CC(=O)N(C)C[C@H]2COCCO2)S(C)(=O)=O)cc1	217356022	JHUVFKHVIBVIEH-HNNXBMFYSA-N	356.444	0.635	70	50	FCIA	
Cc1ccn2c(C(=O)N[C@H](Cc3ccccn3)[C@H]3C[C@@H](O)C3)nnc2n1	218737768	BYTZJQINSDZFDK-BPLDGKMQSA-N	352.398	0.940	70	50	FCIA	
O=C(COC[C@H]1CCCCO1)N1CCN(c2ccnc3nncn23)CC1	216918462	MRBVOTHYUDMJTJ-CQSZACIVSA-N	360.418	0.359	70	50	FCIA	
Cn1nnc2ccc(NC(=O)[C@H]3CC(=O)N(Cc4ccco4)C3)cc2c1=O	218253744	OUJIPTGUOGYLPF-NSHDSACASA-N	367.365	0.909	70	50	FCIA	
O=C(Cc1nc2ccccc2[nH]1)N1CCCn2nc([C@@H](O)CO)cc2C1	217744614	JGGVWRFALXPMGV-INIZCTEOSA-N	355.398	0.760	70	50	FCIA	
O=C(NCCCn1cncn1)c1sccc1S(=O)(=O)N1CCCC1	218412614	GWCYIDOSCNDONM-UHFFFAOYSA-N	369.472	0.944	70	50	FCIA	
O=C(Cn1cc(C(F)(F)F)ccc1=O)N1CCn2nc(CO)cc2C1	218077345	PVILWWOTQSJDBY-UHFFFAOYSA-N	356.304	0.598	70	50	FCIA	
Cc1cc(C)n2ncc(CN3CCCn4nc([C@H](O)CO)cc4C3)c2n1	217209764	ANBGHIGPZWFSET-QGZVFWFLSA-N	356.430	0.974	70	50	FCIA	
CN1CCN(C)[C@@H](CC(=O)NCCS(=O)(=O)c2ccc(F)cc2)C1	217464310	CKTKYEQJZYRSSR-AWEZNQCLSA-N	357.451	0.352	70	50	FCIA	
COc1ccccc1CN1C(=O)N[C@@H](CC(=O)NCCn2cccn2)C1=O	218603479	WNRRTSRYNLMOAD-AWEZNQCLSA-N	371.397	0.519	70	50	FCIA	
O=C(C1CCN(Cc2ccco2)CC1)N1CCN(Cc2nnc[nH]2)CC1	216914980	UJSPUVWTHIRPFK-UHFFFAOYSA-N	358.446	0.954	70	50	FCIA	
Cn1ccnc1CN1CCN(C(=O)c2ccc(-n3cnnn3)cc2O)CC1	217855159	HZSBZQHJJMAXOA-UHFFFAOYSA-N	368.401	0.059	70	50	FCIA	
CC(C)c1nc2ccccc2n1CC(=O)N[C@@H]1COCC[C@@H]1OCC(N)=O	218369424	FISVKQDJSXVESK-ZBFHGGJFSA-N	374.441	0.935	70	50	FCIA	
CS(=O)(=O)N1CCCN(Cc2ccc(OS(=O)(=O)F)cc2)CC1	1875387477	JUOKUBXNBIKLLS-UHFFFAOYSA-N	366.436	0.747	70	50	FCIA	
Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](c1cnn(C)c1)C1CC(O)C1	217986781	VJQUSACQYDIKSP-UBHUBRDASA-N	353.448	0.561	70	50	FCIA	
O=C(CCn1cccn1)N1CCCN(S(=O)(=O)N2CCCCC2)CC1	217131779	XJLUASHNOPLNNQ-UHFFFAOYSA-N	369.491	0.538	70	50	FCIA	
O=C(Cn1cnc2ccccc21)N1CCCn2nc([C@@H](O)CO)cc2C1	217187771	DBMGJIOTBBPWOX-KRWDZBQOSA-N	355.398	0.691	70	50	FCIA	
CN(C)C[C@@H](O)c1cc2n(n1)CCCN(C(=O)Cn1ccc(=O)cc1)C2	218273727	AWURUCDVLJJDAQ-QGZVFWFLSA-N	359.430	0.072	70	50	FCIA	
O=C(NCc1ccc(-n2cncn2)cc1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1	217578719	RWQCBAZPWGVHCL-UHFFFAOYSA-N	362.349	0.727	70	50	FCIA	
CN(CC(=O)N1CCN(c2ccc3nccn3n2)CC1)Cc1ccncc1	217074271	SCMQFZLDUVHIAE-UHFFFAOYSA-N	365.441	0.905	70	50	FCIA	
CN1C[C@@H](NC(=O)N[C@H](Cc2ccccc2)CN2CCOCC2)CCC1=O	159678247	HNOKVZLHROUXPK-ZWKOTPCHSA-N	374.485	0.850	70	50	FCIA	
CNS(=O)(=O)c1ccc(CN2CCCn3nc(CO)cc3C2)cc1	217667649	YTSRMUQITIQARI-UHFFFAOYSA-N	350.444	0.689	70	50	FCIA	
COC(=O)[C@H](CCSC)NC(=O)Cn1nc2c(cc1=O)CCCC2	218412144	ORUVSGPTQJQQCG-ZDUSSCGKSA-N	353.444	0.533	70	50	FCIA	
C#Cc1cc(OS(=O)(=O)F)cc(C(=O)N[C@H](C)c2nncn2C)c1	1875382779	RDRZNURSWRCODY-SECBINFHSA-N	352.347	0.881	70	50	FCIA	
Cn1cc([C@H](CC(N)=O)c2c(Cc3ccc4c(c3)CCO4)[nH][nH]c2=O)cn1	218551132	WHMBHTKBDWDACR-AWEZNQCLSA-N	367.409	0.970	70	50	FCIA	
Cc1cc(=O)c(O)c([C@@H](CC(N)=O)c2ccc3c(c2)n(C)c(=O)n3C)o1	217694684	VCMGVYRYUQYQHS-NSHDSACASA-N	357.366	0.852	70	50	FCIA	biogenic
C[C@@H](O)c1cc2n(n1)CCN(C(=O)c1ccc3[nH]c(=O)c(=O)[nH]c3c1)C2	217529071	CLTSCAZESYDZDU-SECBINFHSA-N	355.354	0.122	70	50	FCIA	
CN1CC(=O)N2C[C@@H](NC(=O)Cc3cccc(C(F)(F)F)c3)C[C@H]2C1=O	218624405	LWPUWXHEQCQJAI-STQMWFEESA-N	369.343	0.806	70	50	FCIA	
COc1ccc(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1N1CCOCC1	217138937	PCLQQQHEJJUFLT-AWEZNQCLSA-N	368.455	0.791	70	50	FCIA	
Cc1ccc(N(CC(=O)N(C)C[C@@H]2COCCO2)S(C)(=O)=O)cc1	217355949	JHUVFKHVIBVIEH-OAHLLOKOSA-N	356.444	0.635	70	50	FCIA	
Cn1cc([C@@H](CC(N)=O)c2c(Cc3ccc4c(c3)CCO4)[nH][nH]c2=O)cn1	218551047	WHMBHTKBDWDACR-CQSZACIVSA-N	367.409	0.970	70	50	FCIA	
CN(CC(=O)N1CCCN(c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1	218755729	OBSRWSFYRJUHGN-QGZVFWFLSA-N	365.499	0.844	70	50	FCIA	
Cn1c(Cn2cccn2)nnc1[C@H]1C[C@H](NC(=O)CCN2CCCO2)C1	218496274	BRDLBVROEVTLEK-OKILXGFUSA-N	359.434	0.450	70	50	FCIA	
C[C@H](O)c1cc2n(n1)CCN(C(=O)c1cnc3c(O)cccn3c1=O)C2	217192980	JDOQUIRVLDNIAZ-JTQLQIEISA-N	355.354	0.306	70	50	FCIA	
C[C@H](O)c1cc2n(n1)CCN(C(=O)c1ccc3[nH]c(=O)c(=O)[nH]c3c1)C2	217529163	CLTSCAZESYDZDU-VIFPVBQESA-N	355.354	0.122	70	50	FCIA	
Cc1[nH]c2ccnn2c(=O)c1CCC(=O)N[C@H](CO)Cc1ccccc1	218533968	VPVSCAHUSPOSIG-HNNXBMFYSA-N	354.410	0.983	70	50	FCIA	
COc1ccc(N2C(=O)N[C@@H](CCC(=O)NCCc3c[nH]cn3)C2=O)cc1	218019594	WSBUCMMFLXMVTE-HNNXBMFYSA-N	371.397	0.982	70	50	FCIA	biogenic
NC(=O)C[C@@H](c1ccc(O)cc1)c1oc(CN2CCOCC2)cc(=O)c1O	218123441	FMXVQVPAUFECCC-HNNXBMFYSA-N	374.393	0.891	70	50	FCIA	biogenic
CN(C)C[C@H](O)c1cc2n(n1)CCCN(C(=O)Cn1ccc(=O)cc1)C2	218273794	AWURUCDVLJJDAQ-KRWDZBQOSA-N	359.430	0.072	70	50	FCIA	
Cc1cc(C)nc(NCC(=O)NCCn2c(=O)c(O)nc3ccccc32)n1	218204929	XDLXGAACWBKSHC-UHFFFAOYSA-N	368.397	0.737	70	50	FCIA	
O=C(c1cc(-n2cnnn2)ccc1O)N1CCN(C2CCOCC2)CC1	218240728	QZGSLAGHNXBZKV-UHFFFAOYSA-N	358.402	0.305	70	50	FCIA	
Cc1cc(C)n(CC(=O)N[C@@H]2COCC[C@H]2Oc2ccccn2)c(=O)n1	218076609	QCDWTPBQXSOIJP-HUUCEWRRSA-N	358.398	0.608	70	50	FCIA	
Cn1nc(CNC(=O)CCn2ccc(=O)[nH]c2=O)c2c(Cl)cccc21	218103131	SOVSLMZMDJNXDF-UHFFFAOYSA-N	361.789	0.783	70	50	FCIA	
Nc1cc(O)nc(CCNC(=O)CCCc2nc(-c3cccnc3)no2)n1	218421076	OPSASBBBWFJEAU-UHFFFAOYSA-N	369.385	0.891	70	50	FCIA	
COc1ccc2ncc(C(=O)N3CCN(S(C)(=O)=O)CC3)c(O)c2c1	218340560	MVWKTDZWFVPWAQ-UHFFFAOYSA-N	365.411	0.666	70	50	FCIA	
Cn1c(CO)nnc1[C@H]1CCCN(C(=O)CCN2CCCCCC2=O)C1	216988065	MIOHUNQTSVTKDO-AWEZNQCLSA-N	363.462	0.806	70	50	FCIA	
CS(=O)(=O)N[C@@H]1[C@@H](NC2CCN(Cc3ccco3)CC2)[C@H]2CCO[C@H]21	218636286	UTUAOOXDVASUBP-YYIAUSFCSA-N	369.487	0.539	70	50	FCIA	
COc1ccc(CN2C(=O)N[C@@H](CC(=O)NCCn3cccn3)C2=O)cc1	218246338	FIJYRDZZCYAZKS-HNNXBMFYSA-N	371.397	0.519	70	50	FCIA	
C[C@@H](NC(=O)c1c[nH]c2ncnn2c1=O)c1ccc(-n2cncn2)cc1	217581308	TTYZXLFBTQABSV-SNVBAGLBSA-N	350.342	0.489	70	50	FCIA	
CN(CC(=O)NCc1nnc(-c2ccccc2)o1)[C@H]1CCS(=O)(=O)C1	217819549	VGBGBYZRLWLMTE-ZDUSSCGKSA-N	364.427	0.472	70	50	FCIA	
O=C(Cn1cccnc1=O)N[C@H](c1ccc2c(c1)CCO2)C1CC(O)C1	218401975	ZUUBBZFTLRYMHV-JTTJXQCZSA-N	355.394	0.807	70	50	FCIA	
O=C(c1cccc(N2CCNC2=O)c1)N1CCCn2nc(CO)cc2C1	217071281	CYWGCQOFZDYEMI-UHFFFAOYSA-N	355.398	0.951	70	50	FCIA	
CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCN(c2ccc3nccn3n2)CC1	218018637	ITCJIDIHMPETMC-CABCVRRESA-N	370.457	0.930	70	50	FCIA	
CCNc1ncc(CN2CCN(C(=O)CC)[C@H]3CS(=O)(=O)C[C@H]32)cn1	216906817	LCGJWIIQNKTNJG-KGLIPLIRSA-N	367.475	0.128	70	50	FCIA	
CN(Cc1ccc(CN2CCCn3nc(CO)cc3C2)o1)S(C)(=O)=O	217583907	KPBRPLUGLRVFAW-UHFFFAOYSA-N	368.459	0.766	70	50	FCIA	
NC(=O)C1(N2CCCCC2)CCN(c2cc(C3CC(O)C3)nc(N)n2)CC1	218568572	RHVFLOCLBUECSU-UHFFFAOYSA-N	374.489	0.607	70	50	FCIA	
Cc1noc(C)c1CO[C@@H]1COCC[C@H]1NC(=O)CN1CCOC1=O	218695201	CTUUSZNDSPPRPY-ZIAGYGMSSA-N	353.375	0.534	70	50	FCIA	
CN(CC(=O)N1CCC(Cn2ccnc2)CC1)[C@@H]1CCS(=O)(=O)C1	218415607	VZTIEQSICBUBFW-OAHLLOKOSA-N	354.476	0.241	70	50	FCIA	
O=C(Nc1ccc(OS(=O)(=O)F)cc1)N1CCN2CCOC[C@H]2C1	1875382608	IVTAHOJJSOLFDF-GFCCVEGCSA-N	359.379	0.828	70	50	FCIA	
O=C(COC[C@H]1CCCCO1)N1CCN(c2ccc3nccn3n2)CC1	217209791	BCJJBZBWDVLJQB-OAHLLOKOSA-N	359.430	0.964	70	50	FCIA	
O=C(Cn1ccnc1)N1CC[C@H]2[C@H](CCC(=O)N2CC2CCNCC2)C1	216849963	JQQHMGKJCOETTB-SJORKVTESA-N	359.474	0.722	70	50	FCIA	
O=C(COC[C@@H]1CCCCO1)N1CCN(c2ccc3nccn3n2)CC1	217209781	BCJJBZBWDVLJQB-HNNXBMFYSA-N	359.430	0.964	70	50	FCIA	
CN(CC(=O)NCc1nc(-c2ccccc2)n[nH]1)[C@H]1CCS(=O)(=O)C1	217545468	QHUGLJYHNSFGMN-ZDUSSCGKSA-N	363.443	0.207	70	50	FCIA	
CCOc1ccc(CCCC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)cc1C	217131095	DDLGZJTVPYEIIZ-HUUCEWRRSA-N	355.456	0.991	70	50	FCIA	
O=C(CCn1[nH]c(=O)c2ccccc2c1=O)N[C@H]1c2ccccc2C[C@@H]1O	159898240	YYDZSGBIEXGTRA-WMZOPIPTSA-N	365.389	0.854	70	50	FCIA	
CN(C)CCNC(=O)C[C@@H]1NC(=O)N(Cc2ccccc2Cl)C1=O	218281452	IPBQBOVEYLNHDK-ZDUSSCGKSA-N	352.822	0.828	70	50	FCIA	
COc1cccc2c(O)c(C(=O)N3CCN(S(C)(=O)=O)CC3)cnc12	218195088	PULGUXCSDIVSFQ-UHFFFAOYSA-N	365.411	0.666	70	50	FCIA	
CCc1nnc(CNC(=O)c2cc(S(N)(=O)=O)ccc2OC)s1	218618414	DSTYCSWUWHBPRU-UHFFFAOYSA-N	356.429	0.687	70	50	FCIA	
O=C(NCc1nncn1CCc1ccccc1)c1c[nH]nc1-n1cnnn1	218260958	OPHABWKRKUQHAP-UHFFFAOYSA-N	364.373	0.150	70	50	FCIA	
O=C(CCn1c(=O)[nH]c2ccccc21)N1CCCn2nc(CO)cc2C1	217107642	ZUPBEPAQPQPXEX-UHFFFAOYSA-N	355.398	0.841	70	50	FCIA	
CN(CC(=O)N1CCC(Cn2ccnc2)CC1)[C@H]1CCS(=O)(=O)C1	218415686	VZTIEQSICBUBFW-HNNXBMFYSA-N	354.476	0.241	70	50	FCIA	
NC(=O)c1ccc(O[C@@H]2CCOC[C@H]2NC(=O)c2cccc(N)n2)cc1	218627685	LVWCBDUVXAJJHF-HUUCEWRRSA-N	356.382	0.729	70	50	FCIA	
NC(=O)C[C@H](c1ccncc1)c1oc(CN2CCOCC2)cc(=O)c1O	218017518	UJGXOQWPBJUJAV-CQSZACIVSA-N	359.382	0.580	70	50	FCIA	biogenic
COC(=O)[C@H](CCSC)NC(=O)Cn1nc2c(cc1=O)CCCCC2	218427029	WYLIDEFSKHDKIH-AWEZNQCLSA-N	367.471	0.923	70	50	FCIA	
CC(=O)N[C@H]1C[C@H](c2cc(N3CCN(Cc4nnc[nH]4)CC3)ncn2)C1	218058749	YEDDLLGPAAROLI-OKILXGFUSA-N	356.434	0.299	70	50	FCIA	
CC(=O)c1cc(CN2CCn3nc([C@@H](O)CC(=O)N(C)C)cc3C2)n(C)c1	218183738	KYZKPDAJGXPBIL-SFHVURJKSA-N	373.457	0.952	70	50	FCIA	
COc1ccc(N2C(=O)N[C@@H](CCC(=O)NCCn3cccn3)C2=O)cc1	218540434	OURSNOBNCREMFW-HNNXBMFYSA-N	371.397	0.913	70	50	FCIA	
CN(C)CCOc1ccc(CN2CCn3nc([C@@H](O)CO)cc3C2)cc1	217201423	PIJFLFSDQTUJQE-IBGZPJMESA-N	360.458	0.865	70	50	FCIA	
Cc1nn2cc(CNC(=O)CN3CCN(c4ncccn4)CC3)nc2s1	218463871	CSZTYQLUICZEDC-UHFFFAOYSA-N	372.458	0.328	70	50	FCIA	
CN(C)[C@@H]1[C@@H](NC(=O)C2CCN(C(=O)c3ccncc3)CC2)[C@H]2CCO[C@H]21	218473508	HVYYPDWYYIYXSA-XMTFNYHQSA-N	372.469	0.768	70	50	FCIA	
O=C(c1ccc(Cn2cccn2)o1)N1CCn2nc([C@H](O)CO)cc2C1	217840063	YISGTNZDFFPJRU-OAHLLOKOSA-N	357.370	0.403	70	50	FCIA	
COCCNc1nc2cc(C(=O)N[C@H]3CCS(=O)(=O)C3)ccc2n1C	217168913	ZCVHMSWGYIGIJS-LBPRGKRZSA-N	366.443	0.549	70	50	FCIA	
O=C(CCc1nc2ccccc2[nH]1)N1CCn2nc([C@H](O)CO)cc2C1	217044196	LVHWMIAXTDBEKZ-MRXNPFEDSA-N	355.398	0.760	70	50	FCIA	
Cc1nnnn1Cc1ccc(C(=O)N2CCn3nc(CO)cc3C2)cc1	217732413	RPEMDNXCXXTOMD-UHFFFAOYSA-N	353.386	0.375	70	50	FCIA	
O=C(COc1ccc(-n2cnnn2)cc1)NCc1cnn2cccnc12	218497557	WGTJKEKNDJWQKT-UHFFFAOYSA-N	350.342	0.400	70	50	FCIA	
COc1cc(S(=O)(=O)N[C@@H]2CCOC[C@H]2OCCO)c(C)cc1C	218406283	POQQNFJQSOROQS-UKRRQHHQSA-N	359.444	0.757	70	50	FCIA	
C[C@H](C(=O)N1CCCN(S(=O)(=O)N2CCCCC2)CC1)n1cncn1	217053031	MLJPRVINRNHYAP-CQSZACIVSA-N	370.479	0.104	70	50	FCIA	
Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCc3n[nH]cc3C2)o1	217137510	JTXULARJNISEGO-MRXNPFEDSA-N	357.414	0.587	70	50	FCIA	
Cc1nc(-c2ccc(CNC(=O)CCn3ccc(=O)[nH]c3=O)cc2)no1	218199554	GODGFHBPWIKSCG-UHFFFAOYSA-N	355.354	0.602	70	50	FCIA	
O=C(NCc1nc(-c2cnccn2)n[nH]1)[C@H](c1ccccc1)n1cnnn1	218245381	IWSGAKORERKKAG-AWEZNQCLSA-N	362.357	0.154	70	50	FCIA	
Cn1nnc2ccc(NC(=O)Cc3n[nH]c(=O)c4ccccc34)cc2c1=O	218123570	KCSBRWMJBCNCDX-UHFFFAOYSA-N	362.349	0.746	70	50	FCIA	
Cc1cccc2[nH]c(COCC(=O)NCCSc3nnnn3C)nc12	218463211	BKAZVPPEXNPUAD-UHFFFAOYSA-N	361.431	0.820	70	50	FCIA	
O=S(=O)(c1cccc2c1OCCO2)N1CCn2nc(CO)cc2C1	217095823	DEBADBYUMSLWLA-UHFFFAOYSA-N	351.384	0.351	70	50	FCIA	
O=C(N[C@@H]1CCOC[C@H]1OCCO)C1CCN(Cc2ccco2)CC1	218045195	CLNQXKAGXSRRCZ-IAGOWNOFSA-N	352.431	0.774	70	50	FCIA	
Cc1nc2[nH]c(C)c(CCC(=O)N[C@H](CO)Cc3ccccc3)c(=O)n2n1	218497045	KRMLYOSAMSAROE-HNNXBMFYSA-N	369.425	0.687	70	50	FCIA	
O=C(CCn1c(CO)nc2ccccc21)N1CCn2nc(CO)cc2C1	217018069	VYAVWGPYQKHIAU-UHFFFAOYSA-N	355.398	0.650	70	50	FCIA	
CC(C)CNC(=O)CNc1c(NCc2ccc3c(c2)OCO3)c(=O)c1=O	218182783	XUQWYQANVXVNCW-UHFFFAOYSA-N	359.382	0.808	70	50	FCIA	
COC(=O)[C@H](C)NC(=O)CCC(=O)N1CCN(c2ccc(F)cc2)CC1	218266382	IGQDXISHNSSXBC-ZDUSSCGKSA-N	365.405	0.932	70	50	FCIA	
COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1ccc(Cn2nnnc2C)cc1	218645878	KJACFKFUEUBDHF-HZMVEIRTSA-N	357.414	0.810	70	50	FCIA	
CCN(C)S(=O)(=O)N1CCC[C@@H](c2nnc(Cn3ccnc3)n2C)C1	217634608	HOZSUHSKDMDYGW-CYBMUJFWSA-N	367.479	0.436	70	50	FCIA	
O=C(CN1CCn2nc([C@@H](O)CO)cc2C1)N1CCOc2ccccc21	217879598	KMGQZEGBMIHTBK-INIZCTEOSA-N	358.398	0.150	70	50	FCIA	
O=S(=O)(CCN1CCn2nc([C@H](O)CO)cc2C1)c1ccccc1	217967954	DHOPGLOPJKIHDH-MRXNPFEDSA-N	351.428	0.198	70	50	FCIA	
COc1nnc(CN2CCn3nc([C@@H](O)c4ccnn4C)cc3C2)s1	218146526	TYMAFOGVSOTHEN-CQSZACIVSA-N	361.431	0.574	70	50	FCIA	
Cc1ccc(O)c(CN2CCn3nc([C@H](O)CC(=O)N(C)C)cc3C2)n1	218126834	HBZTWOWWGVSORR-QGZVFWFLSA-N	359.430	0.820	70	50	FCIA	
Cn1cc([C@@H](NC(=O)c2nc3ccccc3[nH]c2=O)[C@H]2C[C@H](O)C2)cn1	218336165	OXHRUVGHNSUMTF-NVBFEUDRSA-N	353.382	0.899	70	50	FCIA	
Cc1cccc(=O)n1CCCNC(=O)CCN(C)[C@H]1CCS(=O)(=O)C1	217617505	BYVGIBIUKXGROH-HNNXBMFYSA-N	369.487	0.172	70	50	FCIA	
COC(=O)N1CCCC[C@H]1C(=O)N1CCN(c2cc(C)nc(N)n2)CC1	218400012	SVHSXDXOPZTPJQ-ZDUSSCGKSA-N	362.434	0.637	70	50	FCIA	
Cc1nnnn1CCC(=O)N[C@H](c1ccc2c(c1)CCO2)C1CC(O)C1	218605971	IWKOCRPHGVMNSB-JTTJXQCZSA-N	357.414	0.935	70	50	FCIA	
Cc1noc(CCCNC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)n1	217603702	QTOODWDXXVBEFH-ZDUSSCGKSA-N	357.370	0.568	70	50	FCIA	biogenic
O=C(NCc1nc(-c2cccnc2)no1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1	216995190	CKHKSRBQWGISDA-UHFFFAOYSA-N	364.321	0.591	70	50	FCIA	
O=C(CN1CCCn2nc([C@H](O)CO)cc2C1)N1CCc2ccccc21	217652287	RSTOZFKDSNLDBA-GOSISDBHSA-N	356.426	0.704	70	50	FCIA	
CCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)Cn2nc3ccccc3n2)C1	218605179	UCWJJRFKZSGPIY-HAQNSBGRSA-N	355.402	0.597	70	50	FCIA	
CNC(=O)[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)c2ccc3[nH]ncc3c2)C1	160755921	MNCWDVRMGMSYHK-YPMHNXCESA-N	357.414	0.666	70	50	FCIA	
CN1C[C@H](NC(=O)N[C@@H](Cc2ccccc2)CN2CCOCC2)CCC1=O	159677824	HNOKVZLHROUXPK-MSOLQXFVSA-N	374.485	0.850	70	50	FCIA	
Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1cc2cc3c(cc2[nH]c1=O)OCO3	218323365	QXUHIEMODVKPDW-VIFPVBQESA-N	356.338	0.589	70	50	FCIA	
CSCC[C@@H](CO)NC(=O)C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O	217744398	NKWKOYLHRITCKJ-KBPBESRZSA-N	365.455	0.727	70	50	FCIA	biogenic
C[C@@H](O)c1cc2n(n1)CCCN(S(=O)(=O)c1cc(C(N)=O)cs1)C2	216970934	HWUSAJUGZQRTHB-SECBINFHSA-N	370.456	0.691	70	50	FCIA	
Cc1cc(=O)[nH]c(CCNC(=O)c2ccc(N3CCN(C)CC3)cc2)n1	218359150	OTKUPAPIKJECPM-UHFFFAOYSA-N	355.442	0.803	70	50	FCIA	
COc1nc2ccccc2nc1CCC(=O)NCc1c[nH]c(=O)[nH]c1=O	218517869	FIPGWLGSUXCDOR-UHFFFAOYSA-N	355.354	0.264	70	50	FCIA	
COc1ccc(C(=O)N2CCCN(S(=O)(=O)N3CCOCC3)CC2)o1	217567973	UJJPHBPSDLNAHB-UHFFFAOYSA-N	373.431	0.013	70	50	FCIA	
Cc1cc(CC(=O)N2C[C@@H]3CC[C@H]2CN(S(=O)(=O)N(C)C)C3)on1	216945124	PSISPNRJFXSVTN-OLZOCXBDSA-N	356.448	0.255	70	50	FCIA	
Cn1c(CNC(=O)CN2CCN(c3ncccn3)CC2)nc2ccccc21	218006067	FGJOAQNYKQCJQB-UHFFFAOYSA-N	365.441	0.802	70	50	FCIA	
O=C(N[C@@H](CCn1cncn1)c1ccccc1)c1c[nH]c2ncnn2c1=O	217884950	UNOUKTCNSBSCLY-AWEZNQCLSA-N	364.369	0.571	70	50	FCIA	
CN(C)CCCNC(=O)C[C@@H]1NC(=O)N(Cc2cccc(F)c2)C1=O	218183154	QXVXLULFRWXVLI-AWEZNQCLSA-N	350.394	0.704	70	50	FCIA	
Cc1cc(O)n2nc(CC(=O)NCCCn3c(C)cccc3=O)nc2n1	216924451	BGXJXEXFULKFBL-UHFFFAOYSA-N	356.386	0.357	70	50	FCIA	
Cn1c(=O)oc2ccc(C(=O)N3CCn4nc([C@H](O)CO)cc4C3)cc21	217003480	QJQBBJLESCDSCO-CQSZACIVSA-N	358.354	0.010	70	50	FCIA	
CC(=O)N[C@@H]1[C@@H](NC(=O)COCc2nc3ccccc3[nH]2)[C@H]2CCO[C@H]21	218204664	ATSFNBSAZYIEMK-JZDMUPLMSA-N	358.398	0.488	70	50	FCIA	
CS(=O)(=O)N[C@@H]1[C@@H](NC(=O)c2ccc3c(c2)CCO3)[C@H]2CCO[C@H]21	218268719	ARMWODAQYWVBQH-FAAHXZRKSA-N	352.412	0.056	70	50	FCIA	
Cc1cn(CC(=O)NCCc2csc(-c3ccncc3)n2)c(=O)[nH]c1=O	218352954	LPWFXDPSOXVUTI-UHFFFAOYSA-N	371.422	0.722	70	50	FCIA	
O=C(Cn1cnc2ccccc2c1=O)NCCc1noc([C@H]2CCCO2)n1	217631148	GVYAIHARYHUJFN-CQSZACIVSA-N	369.381	0.990	70	50	FCIA	
Cc1cc(=O)[nH]c(S[C@@H](C)C(=O)NCc2nnnn2-c2ccccc2)n1	217635293	AYMJQRCOBACBSN-NSHDSACASA-N	371.426	0.851	70	50	FCIA	
O=C(CCCn1nnc(-c2ccc(F)cc2)n1)N[C@@H]1CCS(=O)(=O)C1	217702948	HLJHVKGPPQNFGH-CYBMUJFWSA-N	367.406	0.563	70	50	FCIA	
CC(=O)c1c(C)nn(CCC(=O)N[C@@H]2CCOC[C@H]2OCCO)c1C	218654402	ZVIYZVDOZNQNJI-HUUCEWRRSA-N	353.419	0.375	70	50	FCIA	
CC[C@@H](C)[C@@H](CO)NC(=O)CCn1ccc2c(cnc3ccnn32)c1=O	218292987	CFNFWDYLZBUKAS-TZMCWYRMSA-N	357.414	0.958	70	50	FCIA	
Cc1cc(C(=O)N2CCCN(S(=O)(=O)N3CCOCC3)CC2)c(C)o1	217206586	QAUOAZYPJFYUBY-UHFFFAOYSA-N	371.459	0.621	70	50	FCIA	
Cc1ncnc(N2CCN(C(=O)C[C@@H]3C=CS(=O)(=O)C3)CC2)c1C	218158298	VKFRUFBKMMVGHX-AWEZNQCLSA-N	350.444	0.690	70	50	FCIA	
COc1ccc(-c2n[nH]cc2CNC(=O)Cc2c[nH]c(=O)n(C)c2=O)cc1	218558613	NXBBDFXLHDIZJO-UHFFFAOYSA-N	369.381	0.331	70	50	FCIA	
O=C(CCCn1nnc(-c2ccc(F)cc2)n1)N[C@H]1CCS(=O)(=O)C1	217703029	HLJHVKGPPQNFGH-ZDUSSCGKSA-N	367.406	0.563	70	50	FCIA	
COCCNc1nc2cc(C(=O)N[C@@H]3CCS(=O)(=O)C3)ccc2n1C	217168904	ZCVHMSWGYIGIJS-GFCCVEGCSA-N	366.443	0.549	70	50	FCIA	
Cc1cc(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3CC(=O)N(C)C)nc(C)n1	216851610	FDXCXMBVBNDVSZ-KGLIPLIRSA-N	359.430	0.245	70	50	FCIA	
CCC(=O)N1CCC[C@H]1C(=O)N1CCN(c2ccnc3nncn23)CC1	218188533	AEAHXTAJTGYLQE-ZDUSSCGKSA-N	357.418	0.174	70	50	FCIA	
O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)NCCn1ccnc1	218232634	XAWZVBUUHDWCJM-HNNXBMFYSA-N	355.398	0.900	70	50	FCIA	
O=C(CN1CCn2nc([C@H](O)c3ccccc3)cc2C1)N1CCOCC1	217769988	VABLAHZBZBUTDG-LJQANCHMSA-N	356.426	0.639	70	50	FCIA	
Cc1cnc(N2C[C@@H]3CC[C@H](C2)C(=O)N3CC(=O)N(C)C)nc1N(C)C	216848979	HSBOSESNECCRNW-KGLIPLIRSA-N	360.462	0.366	70	50	FCIA	
O=C(CN1CCN(c2ncccn2)CC1)N1CCC(Cn2ccnc2)CC1	218156020	SJZOQVMOZYVXPR-UHFFFAOYSA-N	369.473	0.734	70	50	FCIA	
O=c1cc(CN2CCCn3nc([C@@H](O)CO)cc3C2)nc2sccn12	217661201	YDATYEFVLGEBJP-AWEZNQCLSA-N	361.427	0.384	70	50	FCIA	
Cc1nc2c(c(=O)[nH]1)CCN(C(=O)CN1CCOc3ccccc3C1)CC2	217022540	SPUTURUXWDJXMI-UHFFFAOYSA-N	368.437	0.900	70	50	FCIA	
O=C(CCc1n[nH]c2c1CCCC2)N1CCn2nc([C@H](O)CO)cc2C1	217049269	BFJUBWSUKGXVGD-QGZVFWFLSA-N	359.430	0.486	70	50	FCIA	
O=C(N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCC1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1	218472926	UCSQYYYSKLOZNU-MSQAHXEGSA-N	370.409	0.198	70	50	FCIA	
C[C@@H](O)c1cc2n(n1)CCN(C1CCN(C(=O)c3cnccn3)CC1)C2	217130210	ALINTNCSTUAVKS-CYBMUJFWSA-N	356.430	0.847	70	50	FCIA	
Cc1cc(=O)cc(C(=O)NC2CCN(C3CCS(=O)(=O)CC3)CC2)o1	218152382	UGPQUQVPRBQVRG-UHFFFAOYSA-N	368.455	0.720	70	50	FCIA	
O=C(COc1ccc2nncn2n1)N[C@H]1CCCN(Cc2cccnc2)C1	218568275	BMIRKKJQMDSCGS-HNNXBMFYSA-N	367.413	0.679	70	50	FCIA	
Cc1nnc(CN(C)C(=O)CNS(=O)(=O)c2ccc(F)cc2C)o1	217418834	GQPOBTUYXXRGEP-UHFFFAOYSA-N	356.379	0.762	70	50	FCIA	
C[C@H](O)c1cc2n(n1)CCN(C(=O)c1cnc(N3CCOCC3)nc1)C2	217469487	SUKZZHVQEATYFD-LBPRGKRZSA-N	358.402	0.219	70	50	FCIA	
Cc1nc(C2CCN(C(=O)CCN(C)[C@@H]3CCS(=O)(=O)C3)CC2)no1	217364087	RLUDLVGFPMPKCB-CQSZACIVSA-N	370.475	0.593	70	50	FCIA	
O=C(COC[C@@H]1CCCCO1)N1CCN(c2ccnc3nncn23)CC1	216918434	MRBVOTHYUDMJTJ-AWEZNQCLSA-N	360.418	0.359	70	50	FCIA	
COc1ccc(CN2CCN(C(=O)c3cnc(C)[nH]c3=O)CC2=O)cc1	218303713	LOGLBXZRLHZYAG-UHFFFAOYSA-N	356.382	0.572	70	50	FCIA	
COC(=O)[C@H](C)NC(=O)Cn1nc(-c2ccc(OC)cc2F)ccc1=O	218268095	LWMBDXXFZSIZMT-JTQLQIEISA-N	363.345	0.736	70	50	FCIA	
Cc1ccc2nc(C)c(C(=O)N3CCn4nc([C@@H](O)CO)cc4C3)n2c1	217497759	ONSSTHGCIWLOQS-HNNXBMFYSA-N	355.398	0.829	70	50	FCIA	
Cc1nnnn1[C@H](C(=O)NCCSc1nncn1C)c1ccccc1	217696347	XLOIQWSGVCUOME-ZDUSSCGKSA-N	358.431	0.608	70	50	FCIA	
CCn1nc(CO)c2c1CCN(C(=O)[C@H](CCSC)NC(C)=O)C2	217023030	IBAGNFXJHAFSKA-ZDUSSCGKSA-N	354.476	0.538	70	50	FCIA	
COc1cccc(CN2CCN(C(=O)CCC3=NNC(=O)CC3)CC2=O)c1	217371051	GIXRQLCLUMIIBN-UHFFFAOYSA-N	372.425	0.912	70	50	FCIA	
O=C(Cc1c[nH]c(=O)[nH]c1=O)N[C@@H]1CCOC[C@H]1OCc1ccccc1	218071814	QVRXSZSFWKYKHL-HUUCEWRRSA-N	359.382	0.096	70	50	FCIA	
O=C(c1ccc(Cn2cccn2)o1)N1CCn2nc([C@@H](O)CO)cc2C1	217839996	YISGTNZDFFPJRU-HNNXBMFYSA-N	357.370	0.403	70	50	FCIA	
CC1(C)C(=O)NC(=O)N1CC(=O)N[C@@H]1CCOC[C@H]1Oc1ccccn1	218264300	PPLJAQKNTTUYJF-VXGBXAGGSA-N	362.386	0.065	70	50	FCIA	
Cc1ccn2c(C(=O)N[C@@H](Cc3ccccn3)[C@H]3C[C@@H](O)C3)nnc2n1	218737693	BYTZJQINSDZFDK-QEJZJMRPSA-N	352.398	0.940	70	50	FCIA	
CO[C@@H]1CCOC[C@H]1NC(=O)c1ccc2c(c1)nc(N1CCOCC1)n2C	218463749	FCTRCYJKSXOTRK-NVXWUHKLSA-N	374.441	0.944	70	50	FCIA	
O=C(C[C@@H]1NC(=O)N(Cc2ccco2)C1=O)N[C@H](CO)c1ccccc1	217846508	FFMDTIPAGSTQJX-LSDHHAIUSA-N	357.366	0.940	70	50	FCIA	biogenic
Cn1c(N2CC[C@H](O)C2)nc2cc(C(=O)NCCn3cccn3)ccc21	217605811	VDEZVUBJTMYNML-AWEZNQCLSA-N	354.414	0.771	70	50	FCIA	
Cn1ccnc1[C@@H](O)c1cc2n(n1)CCN(c1ncnc3[nH]cnc13)C2	218680628	YYZODFCCHAFLCX-ZDUSSCGKSA-N	351.374	0.385	70	50	FCIA	
CN(C)C(=O)CN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)Cc1ccccc1O)C2	216874988	PZDJYRYXRMJIOR-CABCVRRESA-N	359.426	0.472	70	50	FCIA	
O=C(NCCc1nccc(-c2ccccc2)n1)c1c[nH]nc1-n1cnnn1	217199618	XSVRMBNHYCIWLO-UHFFFAOYSA-N	361.369	0.815	70	50	FCIA	
C[C@@H](O)c1cc2n(n1)CCN(C(=O)c1ccc3c(c1)N(C)C(=O)CO3)C2	217925403	OUTACTNMLVCSJB-LLVKDONJSA-N	356.382	0.948	70	50	FCIA	
O=C(NCc1nc(-c2cnccn2)n[nH]1)[C@@H](c1ccccc1)n1cnnn1	218245311	IWSGAKORERKKAG-CQSZACIVSA-N	362.357	0.154	70	50	FCIA	
Cn1nc(C(=O)N2CCCn3nc(CO)cc3C2)c2ccccc2c1=O	216995143	HNDXOSOHCJKMHQ-UHFFFAOYSA-N	353.382	0.668	70	50	FCIA	
CS(=O)(=O)N1CCN(C(=O)c2cnc3c(F)cccc3c2O)CC1	218408834	TVBSGPFKGHZZLG-UHFFFAOYSA-N	353.375	0.797	70	50	FCIA	
Cc1noc(C)c1CO[C@@H]1COCC[C@H]1NC(=O)c1ccc(=O)n(C)n1	218690966	NSUMZJXCXNQGEY-UKRRQHHQSA-N	362.386	0.489	70	50	FCIA	
O=C(Cc1ccc2c(c1)OCO2)N1CCCn2nc([C@@H](O)CO)cc2C1	217700543	RPOMFODWKRONKH-HNNXBMFYSA-N	359.382	0.613	70	50	FCIA	
NC(=O)C[C@@H](c1cccnc1)c1oc(CN2CCOCC2)cc(=O)c1O	218523957	ANLTWFNASFJRHW-AWEZNQCLSA-N	359.382	0.580	70	50	FCIA	
Cn1ccnc1CN1CCN(C(=O)[C@H](c2ccccc2)n2cnnn2)CC1	217557034	CSVSDRVNNPKMKG-KRWDZBQOSA-N	366.429	0.340	70	50	FCIA	
O=C(C[C@@H]1NC(=O)N(Cc2ccco2)C1=O)N[C@H](CO)Cc1ccccc1	217745767	QLHHBDAYWHCYJC-HOCLYGCPSA-N	371.393	0.810	70	50	FCIA	biogenic
O=C(Cc1cc(=O)[nH][nH]c1=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1	217445794	IANKEJSCOVGDIN-UHFFFAOYSA-N	372.469	0.719	70	50	FCIA	
CN1CCCN(CC(=O)NCCc2csc(-c3ncccn3)n2)CC1	218004898	IDRIWFGQAIBYQY-UHFFFAOYSA-N	360.487	0.896	70	50	FCIA	
Cc1cc(=O)n(CC(=O)N[C@@H]2CCOC[C@H]2Oc2ccccn2)nc1C	218014804	RAZIJHXUOCDURG-HUUCEWRRSA-N	358.398	0.608	70	50	FCIA	
Cc1cc(N)n(CC(=O)N[C@@H]2COCC[C@@H]2OCc2cscn2)n1	218220057	FSJJEEMYSVXEGT-OLZOCXBDSA-N	351.432	0.721	70	50	FCIA	
O=C(CCn1nnc2ccccc21)N1CCn2nc([C@H](O)CO)cc2C1	217398827	QUWLEGTXFDXZEP-MRXNPFEDSA-N	356.386	0.086	70	50	FCIA	
O=C(COc1ccc2nncn2n1)N[C@@H]1CCCN(Cc2cccnc2)C1	218568203	BMIRKKJQMDSCGS-OAHLLOKOSA-N	367.413	0.679	70	50	FCIA	
Cn1nc(CC(=O)N2CCn3nc(CO)cc3C2)c2ccccc2c1=O	217914267	UYQBABDYONYRRR-UHFFFAOYSA-N	353.382	0.207	70	50	FCIA	
CC[C@@H](c1ccncc1)N(C)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	159737625	XKDUEPIHPFWNBJ-LBPRGKRZSA-N	352.416	0.251	70	50	FCIA	
O=C1CCCN1CCC1CCN(C(=O)CCn2ccc(=O)[nH]c2=O)CC1	216946307	MHEHXDZSIPJNLR-UHFFFAOYSA-N	362.430	0.178	70	50	FCIA	
O=C(CN1CCCCCC1=O)NC[C@@H](c1ccccn1)N1CCOCC1	217165576	YHIZHKLUTMLFIG-KRWDZBQOSA-N	360.458	0.974	70	50	FCIA	
CNc1ccnc(N2CCCn3nc([C@@H](O)c4ccnn4C)cc3C2)n1	218117720	JCVZQLKERIGTML-MRXNPFEDSA-N	354.418	0.940	70	50	FCIA	
O=c1oc2ccccc2n1CCN1CCCn2nc([C@H](O)CO)cc2C1	217647062	PIYHLEXKAOWCHL-MRXNPFEDSA-N	358.398	0.723	70	50	FCIA	
CC[C@H](c1ccncc1)N(C)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	159737759	XKDUEPIHPFWNBJ-GFCCVEGCSA-N	352.416	0.251	70	50	FCIA	
C#Cc1cc(OS(=O)(=O)F)cc(C(=O)N[C@@H](C)c2nncn2C)c1	1875382780	RDRZNURSWRCODY-VIFPVBQESA-N	352.347	0.881	70	50	FCIA	
CNC(=O)[C@H](C)NC(=O)[C@H]1CCCN(C(=O)c2ccc3[nH]ncc3c2)C1	160755801	MNCWDVRMGMSYHK-AAEUAGOBSA-N	357.414	0.666	70	50	FCIA	
CN1CCN(C(=O)c2ccnc(N3CCn4nc(CO)cc4C3)c2)CC1	217417322	TWQSGDQKXJMQSP-UHFFFAOYSA-N	356.430	0.178	70	50	FCIA	
CC(C)Cc1cc(C(=O)N2CCC(NS(C)(=O)=O)CC2)nc(=O)[nH]1	218678444	FQKRCJNTLJRRDZ-UHFFFAOYSA-N	356.448	0.122	70	50	FCIA	
CNC(=O)c1cc(S(=O)(=O)N2CCn3nc(CO)cc3C2)cs1	217939432	HHCVUGRDGAEITJ-UHFFFAOYSA-N	356.429	0.001	70	50	FCIA	
O=C(NCCCO)[C@H]1[C@H]2C=C[C@@]3(CN(c4ccc5c(c4)OCO5)C(=O)[C@H]13)O2	217516987	QBNLHAMXLJITFZ-UEABVUSTSA-N	372.377	0.200	70	50	FCIA	biogenic
O=C(CN1CCn2nc([C@@H](O)c3ccccc3)cc2C1)N1CCOCC1	217769900	VABLAHZBZBUTDG-IBGZPJMESA-N	356.426	0.639	70	50	FCIA	
Cc1cc(C(=O)N2CCn3nc([C@H](O)CO)cc3C2)c2c(C)noc2n1	217710051	YGLLBIVSDMWBPO-CQSZACIVSA-N	357.370	0.718	70	50	FCIA	
CCc1nc2ccccc2n1CCC(=O)N1CCN(S(N)(=O)=O)CC1	217206016	NJADOURSPGCIMS-UHFFFAOYSA-N	365.459	0.337	70	50	FCIA	
O=C(N[C@H](CO)Cc1ccccc1)C1CCN(c2ccc(=O)[nH]n2)CC1	218207700	PZRIZXYMZFXGMN-INIZCTEOSA-N	356.426	0.706	70	50	FCIA	
O=C(Cn1nnc(-c2ccccc2)n1)N1CCCO[C@@H](Cn2cccn2)C1	218758774	JLQHUMWWOXPCLG-MRXNPFEDSA-N	367.413	0.854	70	50	FCIA	
O=C(Cn1nnc(-c2ccccc2)n1)N1CCCO[C@H](Cn2cccn2)C1	218758816	JLQHUMWWOXPCLG-INIZCTEOSA-N	367.413	0.854	70	50	FCIA	
Cn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)c2ccc3c(c2)OCC(=O)N3)C1	218465947	XELKAOVBUHIVHS-XYPYZODXSA-N	357.370	0.314	70	50	FCIA	
O=C(CN1CCCCC1=O)N[C@@H]1CCOC[C@H]1OCc1cscn1	218672774	JFNUPRSSYXHWOZ-ZIAGYGMSSA-N	353.444	0.946	70	50	FCIA	
Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCc1ccc(CN2CCCC2)cc1	217383601	YSBZWHUIXMXSOV-UHFFFAOYSA-N	356.426	0.826	70	50	FCIA	
Cn1nccc1[C@@H](O)c1cc2n(n1)CCN(S(=O)(=O)c1ccccc1)C2	218363073	GIBNCYILSSNEOV-KRWDZBQOSA-N	373.438	0.903	70	50	FCIA	
C[C@@H](O)c1cc2n(n1)CCN(C(=O)c1nc3ccccc3n(C)c1=O)C2	217765817	SFBGSUXPJRAHKN-LLVKDONJSA-N	353.382	0.839	70	50	FCIA	
NC(=O)C[C@@H](c1ccncc1)c1oc(CN2CCOCC2)cc(=O)c1O	218017614	UJGXOQWPBJUJAV-AWEZNQCLSA-N	359.382	0.580	70	50	FCIA	biogenic
NC(=O)c1ccc(OCCCN2CCn3nc([C@@H](O)CO)cc3C2)cc1	217384195	LAVMJBJERRLWET-KRWDZBQOSA-N	360.414	0.292	70	50	FCIA	
COc1cncc([C@H](NC(=O)CCN(C)S(C)(=O)=O)[C@H]2C[C@@H](O)C2)c1	218088373	FGFONQCSTKOJEJ-AXAPSJFSSA-N	371.459	0.300	70	50	FCIA	
Cc1cc(C)n(CC2CC2)c(=O)c1C(=O)N1CCN(S(C)(=O)=O)CC1	218611238	QLWZMFIHRAXMFP-UHFFFAOYSA-N	367.471	0.593	70	50	FCIA	
CSCC[C@@H](CO)NC(=O)CCc1c(C)[nH]c2nc(C)nn2c1=O	218462571	JOKUBRNOORJBQC-NSHDSACASA-N	353.448	0.197	70	50	FCIA	
O=C(CN1CCOc2ccccc2C1)N1CCN(c2ncc[nH]c2=O)CC1	217580521	PAZYWNXYONSKIJ-UHFFFAOYSA-N	369.425	0.313	70	50	FCIA	
O=C(Cn1cccnc1=O)N[C@@H](c1ccc2c(c1)CCO2)C1CC(O)C1	218401902	ZUUBBZFTLRYMHV-JMLCCBQJSA-N	355.394	0.807	70	50	FCIA	
COCc1nc(C2CC(N)C2)cc(N2CCN(c3cnccn3)CC2)n1	218157614	MTRNAIUZOFIYQV-UHFFFAOYSA-N	355.446	0.944	70	50	FCIA	
Cc1nc2c(c(=O)n1C)CN(C(=O)c1nn(C)c(=O)c3ccccc13)C2	217371650	ZFDAMXWAZOZUPO-UHFFFAOYSA-N	351.366	0.492	70	50	FCIA	
O=C(NC1CCN(S(=O)(=O)F)CC1)C1(n2cnnn2)CCCCC1	2325890205	XAYMBRQHDQCAAB-UHFFFAOYSA-N	360.415	0.127	70	50	FCIA	
CN(CC(=O)NCc1nc(-c2ccccc2)n[nH]1)[C@@H]1CCS(=O)(=O)C1	217545380	QHUGLJYHNSFGMN-CYBMUJFWSA-N	363.443	0.207	70	50	FCIA	
O=C(Cc1nc2ccccc2[nH]1)N1CCCn2nc([C@H](O)CO)cc2C1	217744679	JGGVWRFALXPMGV-MRXNPFEDSA-N	355.398	0.760	70	50	FCIA	
Cc1cc(N2CCN(Cc3nnc([C@H]4C[C@@H](N)C4)n3C)CC2)nc(N)n1	218663988	RZEBGPVXHQLQNR-JOCQHMNTSA-N	357.466	0.023	70	50	FCIA	
O=C(CCCNc1ncccn1)NCCn1c(=O)c(O)nc2ccccc21	218313519	DZSXTHROKJGUDF-UHFFFAOYSA-N	368.397	0.901	70	50	FCIA	
NC(=O)C[C@H](c1ccc(O)cc1)c1oc(CN2CCOCC2)cc(=O)c1O	218123380	FMXVQVPAUFECCC-OAHLLOKOSA-N	374.393	0.891	70	50	FCIA	biogenic
Cn1cc(CC(=O)N2CCn3nc([C@@H](O)CO)cc3C2)c2ccccc21	217587179	WARUHKFDTWDQGS-SFHVURJKSA-N	354.410	0.985	70	50	FCIA	
O=C(CCc1nc2ccccc2[nH]1)N1CCn2nc([C@@H](O)CO)cc2C1	217044159	LVHWMIAXTDBEKZ-INIZCTEOSA-N	355.398	0.760	70	50	FCIA	
Cn1c(Cn2cccn2)nnc1[C@H]1C[C@@H](NC(=O)CCN2CCCO2)C1	218204194	BRDLBVROEVTLEK-HDJSIYSDSA-N	359.434	0.450	70	50	FCIA	
NC(=O)c1ccc(-c2nc3c([nH]2)CCN(C(=O)CN2CCOCC2)C3)cc1	218456887	RDVFUEWWYLGODZ-UHFFFAOYSA-N	369.425	0.393	70	50	FCIA	
Cc1nccc(C(=O)N2CCn3nc([C@@H](O)c4ccnn4C)cc3C2)n1	218513997	ZFPYJYAWQWRURP-MRXNPFEDSA-N	353.386	0.453	70	50	FCIA	
CN(C)C(=O)CN1CCCN(C(=O)COc2ncnc3ccccc23)CC1	217111416	XJCNBGHBMKRKBR-UHFFFAOYSA-N	371.441	0.631	70	50	FCIA	
Cc1nn(CC(=O)N2CCn3nc(CO)cc3C2)c(=O)c2ccccc12	217599302	YKWLQYVLZLYQBO-UHFFFAOYSA-N	353.382	0.436	70	50	FCIA	
O=C(CCn1ccc(=O)[nH]c1=O)N[C@@H]1CCOC[C@H]1OCC1CCC1	218494101	TVLZYZLRGGELET-ZIAGYGMSSA-N	351.403	0.017	70	50	FCIA	
O=C(CN1CCCn2nc([C@H](O)CO)cc2C1)NCc1cccs1	217152934	JDHWFPULZGEVDE-OAHLLOKOSA-N	350.444	0.492	70	50	FCIA	
CN(C)S(=O)(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)CCc1cccnc1)C2	216872023	LOYRXLSQBZARGJ-CVEARBPZSA-N	366.487	0.743	70	50	FCIA	
O=C(CCn1nnc2ccccc21)N1CCn2nc([C@@H](O)CO)cc2C1	217398743	QUWLEGTXFDXZEP-INIZCTEOSA-N	356.386	0.086	70	50	FCIA	
Cc1nnnn1[C@@H](C(=O)NCCSc1nncn1C)c1ccccc1	217696258	XLOIQWSGVCUOME-CYBMUJFWSA-N	358.431	0.608	70	50	FCIA	
CN(C)C1(CNc2c(NCC(=O)N3CCCC3)c(=O)c2=O)CCCCC1	218395915	TWRMEFBSNFGSFL-UHFFFAOYSA-N	362.474	0.993	70	50	FCIA	
CN(C)C[C@H]1[C@@H]2CN(S(=O)(=O)c3cccc(C(=O)NCCF)c3)C[C@H]12	217052228	DGQJVOYVLOFLSF-PHZGNYQRSA-N	369.462	0.814	70	50	FCIA	
COC(=O)[C@H](C)NC(=O)Cn1nc(-c2ccc(F)cc2OC)ccc1=O	218211277	WDMDYNBYDXUUFF-JTQLQIEISA-N	363.345	0.736	70	50	FCIA	
Cn1ccnc1CNC(=O)c1ccc2c(c1)nc(N1CC[C@H](O)C1)n2C	217557217	YEQUFBLMSCJQLP-ZDUSSCGKSA-N	354.414	0.808	70	50	FCIA	
Cc1ccc(O)c(CN2CCn3nc([C@@H](O)CC(=O)N(C)C)cc3C2)n1	218126757	HBZTWOWWGVSORR-KRWDZBQOSA-N	359.430	0.820	70	50	FCIA	
Cn1ccc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(CO)cc2)cc1=O	218553549	ZJIRYOBSSRSEKH-IAGOWNOFSA-N	358.394	0.844	70	50	FCIA	
Cc1cccc(N(CC(=O)NCCSc2ncn[nH]2)S(C)(=O)=O)c1	218594765	VJAIBROIWAHCIT-UHFFFAOYSA-N	369.472	0.788	70	50	FCIA	
C[C@@H](O)c1cc2n(n1)CCN(C(=O)c1cnc(N3CCOCC3)nc1)C2	217469408	SUKZZHVQEATYFD-GFCCVEGCSA-N	358.402	0.219	70	50	FCIA	
C[C@H](NC(=O)c1c[nH]c2ncnn2c1=O)c1ccc(-n2cncn2)cc1	217581397	TTYZXLFBTQABSV-JTQLQIEISA-N	350.342	0.489	70	50	FCIA	
Cc1ccn2c(C(=O)N[C@@H](Cc3ccccn3)[C@H]3C[C@H](O)C3)nnc2n1	218302228	BYTZJQINSDZFDK-CFVMTHIKSA-N	352.398	0.940	70	50	FCIA	
O=C(CCSc1ccc2c(c1)OCCO2)N[C@@H]1CS(=O)(=O)C[C@H]1O	217126469	LKXIDZKWNZRCAJ-VXGBXAGGSA-N	373.452	0.214	70	50	FCIA	
CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCCc1nc2ccccc2c(=O)[nH]1	218151505	KQHYBDOYVWJVHR-HNNXBMFYSA-N	368.397	0.052	70	50	FCIA	
CN1C[C@@H](NC(=O)N[C@@H](Cc2ccccc2)CN2CCOCC2)CCC1=O	159677977	HNOKVZLHROUXPK-ROUUACIJSA-N	374.485	0.850	70	50	FCIA	
COc1ccc2nnc(CCC(=O)N[C@H](CO)Cc3ccccc3)n2n1	218181224	RMYIEPLRYXVCDL-AWEZNQCLSA-N	355.398	0.785	70	50	FCIA	
C[C@@H](O)c1cc2n(n1)CCN(C(=O)c1cnn3cc(CCO)cnc13)C2	217516674	ZWYZJNKBRSFEAH-LLVKDONJSA-N	356.386	0.170	70	50	FCIA	
CC[C@@H](C)[C@@H](CO)NC(=O)Cn1cnc2cc(OC)c(OC)cc2c1=O	217874931	UHRMVMANMCKYDX-BXUZGUMPSA-N	363.414	0.937	70	50	FCIA	biogenic
CN(C)CCO[C@H]1CCOC[C@H]1NC(=O)c1scc2c1OCCO2	218131615	QUZLAKGWQXJDDZ-NEPJUHHUSA-N	356.444	0.985	70	50	FCIA	
CCOCCn1nc(C)cc1C(=O)N1CCn2nc([C@@H](O)CO)cc2C1	217642634	NNODJWLCPLXDFT-INIZCTEOSA-N	363.418	0.106	70	50	FCIA	
NC(=O)C[C@H](c1cccc(O)c1)c1oc(CN2CCOCC2)cc(=O)c1O	218090687	WPBAXRLVFFQEST-OAHLLOKOSA-N	374.393	0.891	70	50	FCIA	biogenic
COC(=O)N1CCCC[C@@H]1C(=O)N1CCN(c2cc(C)nc(N)n2)CC1	218399939	SVHSXDXOPZTPJQ-CYBMUJFWSA-N	362.434	0.637	70	50	FCIA	
O=C(Cn1cc(C(F)(F)F)ccc1=O)N1CCCn2nc(CO)cc2C1	217973348	GICUGBBXSZULSV-UHFFFAOYSA-N	370.331	0.988	70	50	FCIA	
CSc1ncccc1C(=O)N[C@@H]1COCC[C@@H]1OCC(=O)N(C)C	218248888	CAJZFBDQOQFLGP-OLZOCXBDSA-N	353.444	0.796	70	50	FCIA	
CN(C)S(=O)(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)CCc1ccncc1)C2	216686937	YKWHYDTXWBCPCS-CVEARBPZSA-N	366.487	0.743	70	50	FCIA	
CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)CN1C(=O)NC(=O)C1(C)C	218724476	YNWPXNMSNYGMOK-OLZOCXBDSA-N	353.419	0.573	70	50	FCIA	
CNC(=O)c1cc(S(=O)(=O)N2CCCn3nc(CO)cc3C2)cs1	217108573	FNBXBOOZTCRRJT-UHFFFAOYSA-N	370.456	0.391	70	50	FCIA	
O=c1cc(CN2CCCn3nc([C@H](O)CO)cc3C2)nc2sccn12	217661281	YDATYEFVLGEBJP-CQSZACIVSA-N	361.427	0.384	70	50	FCIA	
CN(CC(=O)N1CCC[C@@H](c2nnc(CO)n2C)C1)Cc1ccncc1	217014381	DPFLHDPBFCQCAY-OAHLLOKOSA-N	358.446	0.540	70	50	FCIA	
O=C(CN1CCOC1=O)N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1ccccn1	216857062	CNGAWOYAGKYJDC-HIFRSBDPSA-N	358.398	0.483	70	50	FCIA	
COc1ccc(NC2=CC(=O)N(C(C)=O)C2)cc1C(=O)N1CCOCC1	218499524	CHDSGDRHFYAVQK-UHFFFAOYSA-N	359.382	0.852	70	50	FCIA	
CN(C)CCOc1ccc(CN2CCn3nc([C@H](O)CO)cc3C2)cc1	217201429	PIJFLFSDQTUJQE-LJQANCHMSA-N	360.458	0.865	70	50	FCIA	
C[C@@H]1CO[C@@H](CO)CN1S(=O)(=O)c1ccc(S(=O)(=O)F)cc1	1776007611	PBTLAWFVEMOYOF-NXEZZACHSA-N	353.393	0.115	70	50	FCIA	
O=C(Cc1cc(=O)[nH][nH]c1=O)N[C@@H]1CCOC[C@H]1OCc1ccccc1	218122701	NJPBEWIENMECJS-HUUCEWRRSA-N	359.382	0.096	70	50	FCIA	
O=C(COc1coc(CN2CCOCC2)cc1=O)Nc1nccs1	218144623	KFLVZGDRVIWHGA-UHFFFAOYSA-N	351.384	0.946	70	50	FCIA	
Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1cc2cc3c(cc2[nH]c1=O)OCO3	218323274	QXUHIEMODVKPDW-SECBINFHSA-N	356.338	0.589	70	50	FCIA	
CCc1nccn1CCC(=O)N1CCN(c2ccnc3nncn23)CC1	217174086	PBPVQANCJRZAAZ-UHFFFAOYSA-N	354.418	0.622	70	50	FCIA	
Cc1n[nH]c(C)c1[C@@H](N)C(=O)N1CCN(c2ccc3nccn3n2)CC1	217750573	KNZSGQSLOGJHKI-MRXNPFEDSA-N	354.418	0.418	70	50	FCIA	
Cc1ccc(S(=O)(=O)CCC(=O)N2C[C@H]3C[C@H](O)[C@H](O)C[C@H]3C2)cc1	218074426	YDEAYDGVWZLPHJ-ULAZLLGUSA-N	367.467	0.749	70	50	FCIA	
CS(=O)(=O)c1ccc(C2(C(=O)N[C@@H]3CCOC[C@H]3O)CCC2)cc1	218073005	FJGCQIFRVZHKBK-HUUCEWRRSA-N	353.440	0.778	70	50	FCIA	
O=C(CC1C[C@@H]2CC[C@H](C1)N2)Nc1cnn(CC(=O)N2CCOCC2)c1	160718769	BINADRFNTHEKBH-GOOCMWNKSA-N	361.446	0.601	70	50	FCIA	
CN(CC(=O)N1CCN(c2ccnc3nncn23)CC1)Cc1ccccn1	217474505	CBYKHESHYSOYSC-UHFFFAOYSA-N	366.429	0.300	70	50	FCIA	
Cc1nc2cc(CC(=O)N3CCn4nc([C@@H](O)CO)cc4C3)ccc2[nH]1	216982813	GJUZYPLGUYWVCJ-KRWDZBQOSA-N	355.398	0.678	70	50	FCIA	
COC(=O)c1cc(NC2=CC(=O)N(C(C)=O)C2)ccc1N1CCOCC1	218517591	ZFPUSAXEOXSHRM-UHFFFAOYSA-N	359.382	0.994	70	50	FCIA	
Cc1cc(N)n(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)C(=O)C2)n1	218635010	OZQVAYDTKBDVJT-UHFFFAOYSA-N	371.397	0.373	70	50	FCIA	
C[C@@H](O)CN1CCN(S(=O)(=O)c2cc(S(=O)(=O)F)cs2)CC1	2325887422	PWOCQDHYEZFNGU-SECBINFHSA-N	372.465	0.093	70	50	FCIA	
C[C@H](O)c1cc2n(n1)CCN(C(=O)c1cnn3cc(CCO)cnc13)C2	217516759	ZWYZJNKBRSFEAH-NSHDSACASA-N	356.386	0.170	70	50	FCIA	
Cn1cc([C@@H](NC(=O)c2cc(-n3cnnn3)ccc2O)C2CC(O)C2)cn1	218015947	LDMBXKHSHRGXHR-MEKTXKAGSA-N	369.385	0.343	70	50	FCIA	
Cc1cc(Cl)ccc1OCC(=O)N[C@@H]1COCC[C@@H]1OCC(N)=O	218419243	BYEKEBBWPJBQNF-OCCSQVGLSA-N	356.806	0.803	70	50	FCIA	
O=C(CCN1Cc2ccccc2C1=O)NCc1nc(-c2cnccn2)n[nH]1	217199743	WDYUNMKEARKEHM-UHFFFAOYSA-N	363.381	0.924	70	50	FCIA	
CNc1ccnc(N2CCCn3nc([C@H](O)c4ccnn4C)cc3C2)n1	218117797	JCVZQLKERIGTML-INIZCTEOSA-N	354.418	0.940	70	50	FCIA	
CN(C[C@H]1Cc2ccccc2CN1C)C(=O)c1c[nH]c2ncnn2c1=O	217575258	OTXZPRPCPCNVEJ-CQSZACIVSA-N	352.398	0.546	70	50	FCIA	
COc1ccc(CNc2c(NCC(=O)N3CCCC3)c(=O)c2=O)cc1OC	218283707	HZKFZZWOYPHGIG-UHFFFAOYSA-N	373.409	0.946	70	50	FCIA