smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
COCCn1c(CNC(=O)[C@H](C)N2Cc3ccccc3C2=O)nc2ccccc21	218132166	ZQKVSCHVJYJCFZ-HNNXBMFYSA-N	392.459	2.343	70	50	GEIA	
O=C(Cn1cnc2ccsc2c1=O)Nc1n[nH]c(CCc2ccccc2)n1	218299615	MVTJKSFRBCSCRA-UHFFFAOYSA-N	380.433	2.000	70	50	GEIA	
COc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCc4ccccc4C3)C2=O)cc1	218007297	SKRANRCDCQSEIP-IBGZPJMESA-N	393.443	2.485	70	50	GEIA	biogenic
COc1ccc(-c2cc(C(=O)N[C@H](CO)Cc3ccccc3)[nH]n2)c(OC)c1	218289099	OOBODGLIICFOBJ-HNNXBMFYSA-N	381.432	2.427	70	50	GEIA	
COc1ccc(CCCN2C(=O)O[C@H]3CN(C(=O)c4nc[nH]c4C)C[C@H]32)cc1	216633495	GEPHAUMDBASLDD-SJORKVTESA-N	384.436	2.005	70	50	GEIA	
O=C(CCc1nc(-c2ccco2)no1)N[C@@H]1CCOC[C@H]1OCC1CCC1	218334416	NKJLBEYCDAOSLH-GDBMZVCRSA-N	375.425	2.353	70	50	GEIA	
COc1ccc2c(c1OC)C(=O)N1[C@@H](C(=O)Nc3nccs3)CS[C@H]21	218456720	CDTCKJPWQOCHSQ-RFAUZJTJSA-N	377.447	2.369	70	50	GEIA	
CC(C)(C)OC(=O)NCc1ccc(C(=O)On2nnc3ccccc3c2=O)cc1	100817172	DVUVLCZMSGSJHJ-UHFFFAOYSA-N	396.403	2.085	70	50	GEIA	
COCCCn1c(C)cc(C)c(C(=O)NCCn2cnc3ccccc32)c1=O	218452567	YQTWKDHXMXHEIT-UHFFFAOYSA-N	382.464	2.281	70	50	GEIA	
CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@H]2c1coc2ccccc2c1=O	217711735	MQPNKBLPKHMZPC-NSHDSACASA-N	381.340	2.099	70	50	GEIA	biogenic
COc1ccc(S(=O)(=O)F)cc1NC(=O)CC(=O)c1cccc([N+](=O)[O-])c1	101016610	ILPVXJSPQGJWMK-UHFFFAOYSA-N	396.352	2.473	70	50	GEIA	
CCN1CCN(Cc2cc3cc(C)ccc3nc2N2CCC[C@@H](O)C2)CC1=O	216637041	PPMVOOWYVBSALW-LJQANCHMSA-N	382.508	2.168	70	50	GEIA	
C[C@H]1CN(Cc2cccc(CNC(=O)c3cccc4c3oc(=O)n4C)c2)CCO1	161089772	MOEMVHIACSHKDX-HNNXBMFYSA-N	395.459	2.282	70	50	GEIA	
COC(=O)C[C@H](c1cc(OC)c(OC)c(OC)c1)c1c(O)cc(C)oc1=O	217945368	CNXIYQMXJNGVGW-GFCCVEGCSA-N	378.377	2.375	70	50	GEIA	biogenic
O=C(NC[C@H]1CCCN(c2ccccn2)C1)C1(N2CCOCC2)CCCCC1	218206808	XGUHNUDXPWUGLW-LJQANCHMSA-N	386.540	2.449	70	50	GEIA	
COc1cccc2c1CC[C@@H]2NC(=O)CS(=O)(=O)NC1CCC(C)CC1	160167579	LAXOYYVXSWUZPE-KVULBXGLSA-N	380.510	2.297	70	50	GEIA	
COc1cc2nc(C)n(CC(=O)NC[C@@H]3C[C@H]4C=C[C@H]3C4)c(=O)c2cc1OC	218311351	ZKPYJYUMNWIYDG-KKUMJFAQSA-N	383.448	2.051	70	50	GEIA	
C[C@H](C(=O)Nc1n[nH]c(CCc2ccccc2)n1)n1cnc2ccccc2c1=O	218460952	AQCGXUPYBVITAZ-CQSZACIVSA-N	388.431	2.500	70	50	GEIA	
COCCCn1c(C)cc(C)c(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c1=O	218044956	DLNKKEDUTKWTDB-UWJYYQICSA-N	376.497	2.269	70	50	GEIA	biogenic
CCn1cc(C(=O)NCCc2cn3ccsc3n2)c(=O)c2ccc(C)nc21	218344813	NRCDBMPFNJUYAO-UHFFFAOYSA-N	381.461	2.407	70	50	GEIA	
C[C@H](Cc1cccnc1)NC(=O)c1ccc2c(c1)nc(N1CCOCC1)n2C	218602090	MCTFOJUPEKYLQR-OAHLLOKOSA-N	379.464	2.166	70	50	GEIA	
O=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)NCCn1ccc2ccccc21	218471980	RVEAGHLKNZRGGM-KRWDZBQOSA-N	394.431	2.251	70	50	GEIA	
Cc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)NCCn1ccc2ccccc21	218433709	LUCLJOVEIMWIOV-UHFFFAOYSA-N	377.448	2.343	70	50	GEIA	
O=C(c1cnc2c(F)cccc2c1O)N1CCN(CCc2ccccn2)CC1	218187947	VQVNVBCXWXXFCF-UHFFFAOYSA-N	380.423	2.475	70	50	GEIA	
CN(C)Cc1nc(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)cs1	218157822	PHMDTECOVSQTRL-NVXWUHKLSA-N	375.494	2.309	70	50	GEIA	
Cc1nn(CC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c2c1[C@H]1[C@@H](C2)C1(C)C	217453694	QRRNMLYJKUZDMJ-GHZYGTOFSA-N	392.503	2.295	70	50	GEIA	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2cccnc2Br)cc1	460096040	WNMQWJQFNPDYAM-UHFFFAOYSA-N	395.231	2.303	70	50	GEIA	
Cc1cccc(N2CCN(CC(=O)N3CCC[C@@H](Cn4ccnc4)C3)CC2)c1	218385962	HFDGQWDUFCQNGD-FQEVSTJZSA-N	381.524	2.252	70	50	GEIA	
Cc1cccc(N2CCN(CC(=O)N3CCC[C@H](Cn4ccnc4)C3)CC2)c1	218386046	HFDGQWDUFCQNGD-HXUWFJFHSA-N	381.524	2.252	70	50	GEIA	
Cc1c[nH]c(CN2CCn3nc([C@@H](O)Cc4ccccc4)cc3C2)c(C)c1=O	218106559	LUUMXDGMKOHKDN-NRFANRHFSA-N	378.476	2.480	70	50	GEIA	
CC(C)(C)OC(=O)N1CCCc2c(OS(=O)(=O)C(F)(F)F)n[nH]c2C1	381889539	CXLRKVZDTMXHHL-UHFFFAOYSA-N	385.364	2.321	70	50	GEIA	in-vitro
COC(=O)C[C@H](c1ccc2ncccc2c1)c1c(O)c(C(=O)OC)c[nH]c1=O	218458383	DTLNYNCJTZKHQG-CYBMUJFWSA-N	382.372	2.110	70	50	GEIA	
O=C(C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)N1CCO[C@H](c2ccccc2)C1	218312261	ADNFFYPBDGKJDB-OALUTQOASA-N	393.443	2.097	70	50	GEIA	
O=C(Nc1cccc(Cn2cccnc2=O)c1)c1ccc(S(=O)(=O)F)cc1	865205527	NFOAFLCGJBZBEN-UHFFFAOYSA-N	387.392	2.202	70	50	GEIA	
C[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1cnc(CN3CCCC3)s1)C2	217926927	GJGNZZFLRGWPBG-CYBMUJFWSA-N	375.498	2.035	70	50	GEIA	
CCOc1ccccc1C(=O)NCC(=O)N[C@@H](C)c1cn(-c2ccccc2)nn1	160320752	CNWHHRPJXHDYSR-HNNXBMFYSA-N	393.447	2.273	70	50	GEIA	
O=C(CCCn1ccnc1)N1CCn2nc([C@@H](O)Cc3ccccc3)cc2C1	218282297	KRDOCIXAHLNSSO-FQEVSTJZSA-N	379.464	2.178	70	50	GEIA	
COc1ccc2ncc(C(=O)NCCCc3nnc4ccccn34)c(O)c2c1	218263394	XLJMQQZUTXHRBG-UHFFFAOYSA-N	377.404	2.354	70	50	GEIA	
CCc1nnc(N2CCN(S(=O)(=O)c3cccc4cnccc34)[C@@H](C)C2)o1	217598638	SSALEWXYIKNRSB-ZDUSSCGKSA-N	387.465	2.080	70	50	GEIA	
COCCn1c(C)cc(C)c(C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)c1=O	218012158	ZLPITHGIDOIWHH-ZWKOTPCHSA-N	375.513	2.106	70	50	GEIA	biogenic
COc1cccc2c1CC[C@H]2NC(=O)CS(=O)(=O)NC1CCC(C)CC1	160167451	LAXOYYVXSWUZPE-MQBCKMQZSA-N	380.510	2.297	70	50	GEIA	
COCCn1cnc2ccc(NC(=O)c3n[nH]c4c3CCCCC4)cc2c1=O	218261631	VUAGGVGVUQYWOT-UHFFFAOYSA-N	381.436	2.287	70	50	GEIA	
O=C(C[C@@H]1NC(=O)N(c2cccc3ccccc23)C1=O)NCCc1ccccn1	218489124	BKRXZSDGXOCTSE-SFHVURJKSA-N	388.427	2.409	70	50	GEIA	
CC[C@@H](Cn1ccnc1)NC(=O)C1CCN(C(=O)c2cccc(OC)c2)CC1	218749174	HTHLNSFOJQBJIQ-SFHVURJKSA-N	384.480	2.339	70	50	GEIA	
COc1ccc(N2C(=O)N[C@@H](CC(=O)N3CCc4ccccc4C3)C2=O)cc1	217957278	KQTQMEUOSWRVID-SFHVURJKSA-N	379.416	2.095	70	50	GEIA	biogenic
CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccc(S(=O)(=O)F)cc1	865207460	JPGJVJCDWOOUKQ-UHFFFAOYSA-N	392.452	2.454	70	50	GEIA	
O=C(NCC1(N2CCCCC2)CCOCC1)c1cnn(-c2ccc(F)cc2)n1	159839821	QUZCHGLSACRPMV-UHFFFAOYSA-N	387.459	2.171	70	50	GEIA	
COc1ccc2c(c1OC)C(=O)N1[C@@H](C(=O)Nc3nccs3)CS[C@@H]21	218456791	CDTCKJPWQOCHSQ-PSLIRLAXSA-N	377.447	2.369	70	50	GEIA	
O=C(COc1ccc2c(c1)NC(=O)CC2)Nc1n[nH]c(Cc2ccc(F)cc2)n1	218568554	OMOOZTFVITUHAX-UHFFFAOYSA-N	395.394	2.437	70	50	GEIA	
COc1ccc2c(ccn2CCC(=O)Nc2ccc3nnn(C)c(=O)c3c2)c1	218426831	XLUIFFSUUKCVND-UHFFFAOYSA-N	377.404	2.321	70	50	GEIA	
CC(C)[C@H](NC(=O)CCc1nnc(O)[nH]c1=O)c1nc2ccccc2n1C(C)C	218609186	YSCZOWXBCLDNLC-KRWDZBQOSA-N	398.467	2.247	70	50	GEIA	
CN(C)C[C@@H](O)c1cc2n(n1)CCCN(C1CCN(C3CCCC3)CC1)C2	218347290	JZOSXGJERWYTST-OAQYLSRUSA-N	375.561	2.091	70	50	GEIA	
COc1ccc(NC(=O)CC[C@@H]2NC(=O)N(Cc3cccc(F)c3)C2=O)cn1	218176457	DLINWRKATBOXRC-HNNXBMFYSA-N	386.383	2.069	70	50	GEIA	
O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1ccc2nsnc2c1	217609276	SBKNIWSNCQZMQL-AWEZNQCLSA-N	381.417	2.161	70	50	GEIA	biogenic
O=C(C[C@@H]1NC(=O)N(c2cccc3ccccc23)C1=O)NCC1CCOCC1	218495714	DXEGKWVRAAXJHC-KRWDZBQOSA-N	381.432	2.198	70	50	GEIA	
COc1cccc2c(O)c(C(=O)N3CCN(CCc4ccccn4)CC3)cnc12	218245152	GBRCSHNKMRDNMF-UHFFFAOYSA-N	392.459	2.345	70	50	GEIA	
C[C@@H]1CN(C2CCN(C(=O)Nc3cccc(-c4ncn(C)n4)c3)CC2)CCO1	161407822	WPRYCGBBLRTGDG-OAHLLOKOSA-N	384.484	2.199	70	50	GEIA	
COCc1nc2n(n1)C[C@H](NC(=O)N1CC[C@@H](Cc3ccc(F)cc3)C1)CC2	160560977	SXXMDKNLVMDSSX-DOTOQJQBSA-N	387.459	2.153	70	50	GEIA	
CCN(C(=O)NC1CCN(CCOC)CC1)[C@H]1CCN(Cc2ccccc2)C1	159674098	GMLVLBCAIYWBKV-NRFANRHFSA-N	388.556	2.403	70	50	GEIA	
O=C(Nc1ccnn1Cc1ccccc1F)c1cncc(OS(=O)(=O)F)c1	1875385625	XPLYVSHYMLWOMR-UHFFFAOYSA-N	394.359	2.311	70	50	GEIA	
CCOC(=O)c1nc(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)sc1C	218504041	WWLPPMYCESDPLF-UHFFFAOYSA-N	386.433	2.436	70	50	GEIA	
O=C(COc1cccc(Cl)c1)NC[C@@H](c1ccccn1)N1CCOCC1	217819667	RCFGBEMVOSYLBU-SFHVURJKSA-N	375.856	2.304	70	50	GEIA	
O=C(NCCCC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1)c1cnccn1	218499847	XYTVTFQZJZONMP-KRWDZBQOSA-N	378.436	2.227	70	50	GEIA	
NC(=O)[C@H]1CC[C@@H](CNC(=O)c2nc(-c3ccccc3)n3c2CCCCC3)O1	161269036	SSHPVUJHKRVSIP-DOTOQJQBSA-N	382.464	2.039	70	50	GEIA	
CC(=O)N1CC(Nc2ccc3c(c2)N(C(=O)c2cccnc2)CCC3)=CC1=O	218595361	VRSMNZUZFKTOFL-UHFFFAOYSA-N	376.416	2.359	70	50	GEIA	
Cc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)NCCn1ccc2ccc(F)cc21	218334827	DDAUXZMMZZWWFJ-UHFFFAOYSA-N	395.438	2.482	70	50	GEIA	
Cc1c[nH]c(CN2CCn3nc([C@H](O)Cc4ccccc4)cc3C2)c(C)c1=O	218106642	LUUMXDGMKOHKDN-OAQYLSRUSA-N	378.476	2.480	70	50	GEIA	
Cc1nc([C@H](C)NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)n[nH]1	217198188	UVZXBSYBRSGOHZ-NSHDSACASA-N	375.860	2.496	70	50	GEIA	
COCCn1c(CNC(=O)c2c[nH]c(=O)c3ccccc23)nc2ccccc21	218304311	WDCGHORGIOUGEA-UHFFFAOYSA-N	376.416	2.454	70	50	GEIA	
NC1CC(c2cc(N3CCC(C(=O)NCCc4ccccc4)CC3)ncn2)C1	218668740	PITKKDGZEWMQRY-UHFFFAOYSA-N	379.508	2.257	70	50	GEIA	
C[C@@H](NC(=O)C1(c2ccc(S(C)(=O)=O)cc2)CCC1)C1CCN(C)CC1	218437123	NVBYHXUFPJHVMO-OAHLLOKOSA-N	378.538	2.358	70	50	GEIA	
CC1CCN(C2CCC(NC(=O)[C@@H](Cc3ccccc3)NC(N)=O)CC2)CC1	161467787	BSWYLLMEBAIKRZ-SOAGJPPSSA-N	386.540	2.425	70	50	GEIA	
COC(=O)[C@H](CCSC)NC(=O)c1cc(C(C)C)nc2c1c(C)nn2C	218396128	ZXRYGUFXXQMNHH-ZDUSSCGKSA-N	378.498	2.425	70	50	GEIA	
O=C(COc1cccc(Cl)c1)NC[C@H](c1ccccn1)N1CCOCC1	217819757	RCFGBEMVOSYLBU-GOSISDBHSA-N	375.856	2.304	70	50	GEIA	
CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1cncc(OS(=O)(=O)F)c1	1875387779	WWZBREWUZCWYIP-UHFFFAOYSA-N	379.369	2.342	70	50	GEIA	
COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)Nc3nccs3)CS[C@H]21	218456864	CDTCKJPWQOCHSQ-BJOHPYRUSA-N	377.447	2.369	70	50	GEIA	
CC(C)[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1nc2ccccc2n1C	218283529	CRZZDZSOCKMJSU-IBGZPJMESA-N	390.447	2.192	70	50	GEIA	
Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)Nc1ccc(OS(=O)(=O)F)cc1	1875385511	UUGWYNKAIDZKAO-UKRRQHHQSA-N	383.401	2.120	70	50	GEIA	
C[C@@H]1CN(C2CCN(C(=O)Nc3ccc(-c4ncn(C)n4)cc3)CC2)CCO1	160466081	FPIIZVSUTWKSRD-OAHLLOKOSA-N	384.484	2.199	70	50	GEIA	
CCOC(=O)N1CCN(C(=O)c2c3c(nc4c2cnn4C(C)C)CCC3)CC1	218601790	OHBQFHOPYKBQJW-UHFFFAOYSA-N	385.468	2.415	70	50	GEIA	
CC(C)c1ccc(N2C(=O)N[C@@H](CC(=O)NCCc3ccccn3)C2=O)cc1	218517141	WDBRUMZDUCXSKV-SFHVURJKSA-N	380.448	2.379	70	50	GEIA	
COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1ccc(F)c(C(N)=O)c1	218196334	OFRJJNSCZJCHCA-AWEZNQCLSA-N	388.351	2.182	70	50	GEIA	
CS(=O)(=O)N1CCN(C(=O)CCn2c3c(c4ccccc42)CCCC3)CC1	218282339	OLYIEUCCCOBZBW-UHFFFAOYSA-N	389.521	2.014	70	50	GEIA	
O=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)N1CCO[C@@H](c2ccccc2)C1	218265160	BYRMPOYNTATCBO-ZWKOTPCHSA-N	397.431	2.080	70	50	GEIA	
CSCC[C@H](NC(=O)c1cnc2ccnn2c1C)c1nnc2ccccn12	218451931	CSLMSIHIHDCAMD-AWEZNQCLSA-N	381.465	2.305	70	50	GEIA	
CC(C)Oc1ccc2nnc(CCCC(=O)N[C@H](CO)c3ccccc3)n2n1	218154562	YNQKESFPXLEWKX-MRXNPFEDSA-N	383.452	2.084	70	50	GEIA	
COc1ccnc(N2CCC(C(=O)Nc3nnc(-c4ccc(C)o4)[nH]3)CC2)n1	160250893	QIDIDRQXYNFQOV-UHFFFAOYSA-N	383.412	2.027	70	50	GEIA	
COCc1nc2n(n1)C[C@@H](NC(=O)N1CC[C@@H](Cc3ccc(F)cc3)C1)CC2	160561092	SXXMDKNLVMDSSX-RDJZCZTQSA-N	387.459	2.153	70	50	GEIA	
O=C(CN1CCCn2nc([C@@H](O)c3ccccc3)cc2C1)NCc1ccco1	218272710	WBWZZHOQFJCPSC-NRFANRHFSA-N	380.448	2.080	70	50	GEIA	
O=C(CCCN1CCOCC1)N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1	218133949	AWEJOVVQFTYGFM-RKOYOZNISA-N	383.492	2.275	70	50	GEIA	
Cn1cnc2cc(NC(=O)[C@@H]3CC(=O)N(CCc4ccc(O)cc4)C3)ccc21	218407412	NNQUHALSYQIBDE-OAHLLOKOSA-N	378.432	2.309	70	50	GEIA	
OC[C@@H](O)c1cc2n(n1)CCCN(CC1=Cc3cc(Cl)ccc3OC1)C2	217921513	OGWMUQUAFQOTDV-GOSISDBHSA-N	375.856	2.244	70	50	GEIA	
O=C(c1ccccc1SCC(=O)N1CCc2ccccc21)N1CCNCC1	159382590	XWIHBJWBEQZYQI-UHFFFAOYSA-N	381.501	2.413	70	50	GEIA	
Cc1cc2c(c(=O)o1)[C@H](c1cc3cc4c(cc3[nH]c1=O)OCCO4)CC(=O)O2	218091755	QQEDNRKMZLYKPY-NSHDSACASA-N	381.340	2.002	70	50	GEIA	biogenic
Cc1cc(C)n(C[C@@H]2CCCO2)c(=O)c1C(=O)N1CC[C@]2(O)CCCC[C@H]2C1	218479745	MYMKDISZWBPOBO-NPPFBWRTSA-N	388.508	2.411	70	50	GEIA	
COc1cccc(N2C[C@H](C(=O)NC[C@@H]3CCCN4CCCC[C@H]34)CC2=O)c1	217672699	VCJAEHZANBYVDX-SQGPQFPESA-N	385.508	2.429	70	50	GEIA	biogenic
O=C(NC[C@H]1CN(C2CC2)CCO1)c1ccn(-c2cccc(C(F)(F)F)c2)n1	160372325	XAXIQSUMWQYAJG-INIZCTEOSA-N	394.397	2.484	70	50	GEIA	
C[C@H](O)c1cc2n(n1)CCCN(C(=O)c1cnc(CN3CCCC3)s1)C2	217927017	GJGNZZFLRGWPBG-ZDUSSCGKSA-N	375.498	2.035	70	50	GEIA	
COCCn1c([C@H](C)NC(=O)C2(n3cnnn3)CCCCC2)nc2ccccc21	218272249	AMWPCHRMGPHRFM-HNNXBMFYSA-N	397.483	2.206	70	50	GEIA	
CN(C)C[C@@H](O)c1cc2n(n1)CCCN(C(=O)Cc1cccc(Cl)c1)C2	218002501	BURXCMJAIKFKSX-GOSISDBHSA-N	376.888	2.107	70	50	GEIA	
Cc1nn(CC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c2c1[C@H]1[C@H](C2)C1(C)C	217453763	QRRNMLYJKUZDMJ-CJKQYIFKSA-N	392.503	2.295	70	50	GEIA	
COCc1nc2n(n1)C[C@H](NC(=O)N1CC[C@H](Cc3ccc(F)cc3)C1)CC2	160560690	SXXMDKNLVMDSSX-NVXWUHKLSA-N	387.459	2.153	70	50	GEIA	
Cc1cc(COc2ccccc2)oc1C(=O)N[C@@H]1CCOC[C@H]1OCCO	218388632	UEBKRIVSCMIENO-QZTJIDSGSA-N	375.421	2.063	70	50	GEIA	
O=C(CCCN1CCOCC1)N[C@H](c1cnc2ccccc2c1)C1CC(O)C1	218134025	AWEJOVVQFTYGFM-FQVRHNBASA-N	383.492	2.275	70	50	GEIA	
Cc1ccc(-n2nnc(CC(=O)N[C@@H]3CC[C@H](CS(=O)(=O)F)C3)c2C)cc1	2325885998	ASSWUKLZZSTMLQ-LSDHHAIUSA-N	394.472	2.011	70	50	GEIA	
O=C(Cc1ccc2c(c1)CCC(=O)N2)Nc1ccc(OS(=O)(=O)F)cc1	1875385670	YQOGFXWBJXFABD-UHFFFAOYSA-N	378.381	2.346	70	50	GEIA	
COc1ccc2c(c1OC)C(=O)N1[C@@H](C(=O)NCCc3ccccn3)CS[C@@H]21	218555539	BDCAOMXGNWHFGB-VLIAUNLRSA-N	399.472	2.028	70	50	GEIA	
COCCn1cnc2ccc(NC(=O)c3cc(-c4ccccn4)n[nH]3)cc2c1=O	218239618	XXPOIOQFTSFTHO-UHFFFAOYSA-N	390.403	2.080	70	50	GEIA	
COCCn1c(C)cc(C)c(C(=O)N[C@H](c2ccccc2)c2nccn2C)c1=O	218488622	CDSPHSQCHHUDDD-LJQANCHMSA-N	394.475	2.364	70	50	GEIA	
O=C(C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)N1CCO[C@@H](c2ccccc2)C1	218312340	ADNFFYPBDGKJDB-RBUKOAKNSA-N	393.443	2.097	70	50	GEIA	
C[C@H](NC(=O)C[C@@H]1NC(=O)N(c2ccccc2)C1=O)c1nc2ccccc2[nH]1	218546323	CXQXAPUJZJQXJC-LRDDRELGSA-N	377.404	2.255	70	50	GEIA	
COc1ccc2c(c1OC)C(=O)N1[C@H]2SC[C@H]1C(=O)NCCc1ccccn1	218555716	BDCAOMXGNWHFGB-XOBRGWDASA-N	399.472	2.028	70	50	GEIA	
O=C1CN(C(=O)c2ccc(SCCO)cc2)CCN1CCc1ccccc1	218517575	WFVUUKWLMPUTFF-UHFFFAOYSA-N	384.501	2.298	70	50	GEIA	
COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)NCCc3ccncc3)CS[C@H]21	218600352	FNEXFTDCWDZFOM-VBKZILBWSA-N	399.472	2.028	70	50	GEIA	
CC(C)C[C@H](NC(=O)c1ccc(-n2cnnn2)cc1)c1nnc2ccccn12	218471622	GBWZEXOEHHZSMH-INIZCTEOSA-N	376.424	2.222	70	50	GEIA	
O=C1C[C@H](c2cc3cc4c(cc3[nH]c2=O)OCO4)c2cc3c(cc2O1)OCO3	217875980	VWGPJTDOEBXNCG-JTQLQIEISA-N	379.324	2.427	70	50	GEIA	biogenic
COC(=O)C[C@H](c1cccc(OC(F)F)c1)c1c(O)c(C(=O)OC)c[nH]c1=O	218498639	IVAQRCIWCKFTLQ-LLVKDONJSA-N	397.330	2.164	70	50	GEIA	
C[C@H]1CN(C2CCN(C(=O)Nc3ccc(-c4ncn(C)n4)cc3)CC2)CCO1	160466219	FPIIZVSUTWKSRD-HNNXBMFYSA-N	384.484	2.199	70	50	GEIA	
COc1ccc(NC(=O)C[C@@H]2NC(=O)N(Cc3ccccc3Cl)C2=O)cn1	218373892	LNLVODZUKKAHSL-AWEZNQCLSA-N	388.811	2.193	70	50	GEIA	
CCC[C@@H]1CN(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)CCN1CCOC	161383591	LNDZMUPVEXTUOE-GOSISDBHSA-N	386.500	2.447	70	50	GEIA	
Cc1nc([C@@H](C)NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)n[nH]1	217198182	UVZXBSYBRSGOHZ-LLVKDONJSA-N	375.860	2.496	70	50	GEIA	
COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1ccc(F)c(C(N)=O)c1	218196263	OFRJJNSCZJCHCA-CQSZACIVSA-N	388.351	2.182	70	50	GEIA	
COCCn1c(C)cc(C)c(C(=O)Nc2n[nH]c(-c3ccccc3OC)n2)c1=O	218566399	COMJBNQFGCPKFZ-UHFFFAOYSA-N	397.435	2.158	70	50	GEIA	
O=C(c1nn(-c2ccc(F)cc2)cc1O)N1CCC(N2CCCCC2=O)CC1	160497976	UYKQEYDZSUMDDX-UHFFFAOYSA-N	386.427	2.334	70	50	GEIA	
C[C@H](NC(=O)c1nc(=O)[nH][nH]1)c1nc(-c2ccc(Br)cc2)cs1	160622501	ZFWAFDLWNIXVKB-ZETCQYMHSA-N	394.254	2.475	70	50	GEIA	
CCOC(=O)c1csc(NC(=O)[C@@H]2CC(=O)N(Cc3cccc(F)c3)C2)n1	218343424	QIOOHTVEUSETOM-GFCCVEGCSA-N	391.424	2.446	70	50	GEIA	
COc1cn(CC(=O)NCCc2nc3ccccc3n2C(C)C)c(C)cc1=O	218187344	SUKWTVNEDYDAQQ-UHFFFAOYSA-N	382.464	2.455	70	50	GEIA	
O=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)N1CCO[C@H](c2ccccc2)C1	218265100	BYRMPOYNTATCBO-ROUUACIJSA-N	397.431	2.080	70	50	GEIA	
C[C@@H](NC(=O)c1nc(=O)[nH][nH]1)c1nc(-c2ccc(Br)cc2)cs1	160622633	ZFWAFDLWNIXVKB-SSDOTTSWSA-N	394.254	2.475	70	50	GEIA	
COC(=O)CC1CCN(Cc2oc(CN3CCCCCC3)cc(=O)c2O)CC1	218321061	WLTGHGLESSXYIP-UHFFFAOYSA-N	392.496	2.497	70	50	GEIA	
COc1ccc(S(=O)(=O)N2CC(Nc3nc4cc(F)ccc4o3)C2)cc1	160939591	DBZJJVDWLMPGIP-UHFFFAOYSA-N	377.397	2.461	70	50	GEIA	
COC(=O)C[C@@H](c1c(F)cccc1Cl)c1c(O)c(C(=O)OC)c[nH]c1=O	218472585	BGMHOCQUGZLVOS-QMMMGPOBSA-N	383.759	2.355	70	50	GEIA	
CC(C)C(=O)N1CCN(Cc2ccc3ccccc3c2)[C@@H]2CS(=O)(=O)C[C@@H]21	216647594	ICZFQNQYAYVQJT-UXHICEINSA-N	386.517	2.306	70	50	GEIA	
Cc1sc2ncn(CC(=O)NC[C@@H]3CCCN4CCCC[C@H]34)c(=O)c2c1C	217614716	TWPNARBIFDJMFP-JKSUJKDBSA-N	388.537	2.456	70	50	GEIA	biogenic
NC(=O)[C@H]1CC[C@H](CNC(=O)c2nc(-c3ccccc3)n3c2CCCCC3)O1	161269164	SSHPVUJHKRVSIP-NVXWUHKLSA-N	382.464	2.039	70	50	GEIA	
CN1CCN([C@H](c2cccc(OC(F)F)c2)c2sc3ncnn3c2O)CC1	218433522	KDCQZUVGRXDVAK-CYBMUJFWSA-N	395.435	2.435	70	50	GEIA	
CC1=C(C(=O)N2CCN(Cc3cccc(C)c3)C(=O)[C@H]2C)SC2=NCCN21	218729870	IRBHIBVRZZWLLG-OAHLLOKOSA-N	384.505	2.204	70	50	GEIA	
O=C(NCCCS(=O)(=O)F)C1=Cc2cc(Br)ccc2OC1	2325887642	HQJGTGQVNKIFAZ-UHFFFAOYSA-N	378.219	2.031	70	50	GEIA	
O=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)Nc1nc2c(s1)CCCC2	218184262	PIXUAYZPNPFGDD-ZDUSSCGKSA-N	388.449	2.454	70	50	GEIA	
C[C@@H]1CN(Cc2cccc(CNC(=O)c3cccc4c3oc(=O)n4C)c2)CCO1	161089664	MOEMVHIACSHKDX-OAHLLOKOSA-N	395.459	2.282	70	50	GEIA	
Cc1cc(C[C@H](C)NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)n[nH]1	161132812	GUTKKIASHAVPGA-KBXCAEBGSA-N	390.509	2.009	70	50	GEIA	
COc1cccc2c(O)c(C(=O)N3CCn4c(nnc4C(F)(F)F)C3)cnc12	218181841	CCHOPBCPODFRBR-UHFFFAOYSA-N	393.325	2.215	70	50	GEIA	
Cc1cc(C[C@H](C)NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)n[nH]1	161132594	GUTKKIASHAVPGA-KSSFIOAISA-N	390.509	2.009	70	50	GEIA	
COc1c[nH]c(C(=O)N[C@H](c2cnc3ccccc3c2)C2CC(O)C2)cc1=O	218683070	LSNBGUDOYGDPLC-IELXDLANSA-N	379.416	2.174	70	50	GEIA	
COCCn1nnc2ccc(NC(=O)Cn3ccc4ccccc43)cc2c1=O	218177800	BZBQOGCTNQHIEP-UHFFFAOYSA-N	377.404	2.031	70	50	GEIA	
O=c1cc(CN2CCCCC2)oc(CN2CCN(Cc3cccnc3)CC2)c1O	218568456	XOPONGQQCYWJCO-UHFFFAOYSA-N	398.507	2.044	70	50	GEIA	
Cc1c(C(=O)N2CCC[C@H]2C(=O)Nc2nccs2)cnn1C1CCOCC1	161438967	PWKBTZKXNGBWLP-HNNXBMFYSA-N	389.481	2.243	70	50	GEIA	
Cc1nn(CC(=O)NCc2cc(-c3ccccn3)no2)c(=O)c2ccccc12	218099873	RXPGQKPFZXJBBN-UHFFFAOYSA-N	375.388	2.071	70	50	GEIA	
CN(C)Cc1nnc([C@H]2C[C@H](NC(=O)Cc3c(F)cccc3Cl)C2)n1C	218117247	HMAWHXDGXITHSQ-TXEJJXNPSA-N	379.867	2.274	70	50	GEIA	
O=C([C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1)N1CCc2[nH]ncc2C1	159870322	ILEGDDIUNYZNAF-HNNXBMFYSA-N	399.520	2.246	70	50	GEIA	
O=C(CN1CCCn2nc([C@H](O)c3ccccc3)cc2C1)NCc1ccco1	218272749	WBWZZHOQFJCPSC-OAQYLSRUSA-N	380.448	2.080	70	50	GEIA	
COCCCn1c(C)cc(C)c(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c1=O	218045044	DLNKKEDUTKWTDB-LAUBAEHRSA-N	376.497	2.269	70	50	GEIA	biogenic
N[C@H]1CC[C@@H](C(=O)N2CCC3(CC2)CC(=O)N(Cc2ccc(F)c(F)c2)C3)C1	216644943	XWDCBZJAXZCUHR-CVEARBPZSA-N	391.462	2.433	70	50	GEIA	
COC[C@@H]1[C@@H](NS(=O)(=O)CCc2cccc3ccccc23)[C@@H]2CCO[C@@H]21	218089289	FHRXEGCAUJXSDR-YRPNKDGESA-N	375.490	2.352	70	50	GEIA	
COCCCn1c(C)cc(C)c(C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)c1=O	218080399	XMBXEMRDEDHINM-RBUKOAKNSA-N	389.540	2.496	70	50	GEIA	biogenic
COC(=O)[C@H](CCSC)NC(=O)c1cc2c(OC)ccc(OC)c2n1C	217803649	VSQMHIXQVZSOEL-LBPRGKRZSA-N	380.466	2.220	70	50	GEIA	biogenic
COc1ccc2c(c1OC)C(=O)N1[C@@H](C(=O)NCCc3ccncc3)CS[C@@H]21	218600279	FNEXFTDCWDZFOM-VLIAUNLRSA-N	399.472	2.028	70	50	GEIA	
C[C@@H](Cc1cccnc1)NC(=O)c1ccc2c(c1)nc(N1CCOCC1)n2C	218602014	MCTFOJUPEKYLQR-HNNXBMFYSA-N	379.464	2.166	70	50	GEIA	
COc1cc(Br)c(S(=O)(=O)Cl)cc1S(=O)(=O)Cl	100000499	IFHMYQUXGXZQCX-UHFFFAOYSA-N	384.056	2.313	70	50	GEIA	
O=C([C@H]1Cc2ccccc2S(=O)(=O)N1)N1CCc2c(Cl)cccc2C1	217562455	NYQNFXDCIIZOEP-MRXNPFEDSA-N	376.865	2.128	70	50	GEIA	
COCCCn1c(C)cc(C)c(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c1=O	218044871	DLNKKEDUTKWTDB-DYESRHJHSA-N	376.497	2.269	70	50	GEIA	biogenic
O=C(N[C@H](CO)Cc1ccccc1)c1c[nH]nc1-c1ccc2c(c1)OCCO2	218262575	RMPZDFXPCMEIBN-INIZCTEOSA-N	379.416	2.181	70	50	GEIA	
Cc1[nH]c2ccccc2c1CC(=O)NC1CCN(C(=O)N2CCOCC2)CC1	217748180	DREHGYUZQUABCO-UHFFFAOYSA-N	384.480	2.052	70	50	GEIA	
COc1cn(CC(=O)Nc2ccc3c(c2)ncn3CCCN(C)C)c(C)cc1=O	218379004	JBEISFYKMOMQHS-UHFFFAOYSA-N	397.479	2.105	70	50	GEIA	
COc1ccc(S(=O)(=O)N(C)c2ccc(OS(=O)(=O)F)cc2)cc1	1875368386	NIUVNJLBTGLXBT-UHFFFAOYSA-N	375.399	2.113	70	50	GEIA	
COc1ccc(Cc2nc(NC(=O)c3cc(-c4ccncc4)n[nH]3)n[nH]2)cc1	218542236	UPHGFCUPSBLRBA-UHFFFAOYSA-N	375.392	2.442	70	50	GEIA	
NC(=O)c1cn(CC(=O)Nc2cccc(S(=O)(=O)F)c2)c2ccccc12	460091185	JIAHLYPBYLUKRP-UHFFFAOYSA-N	375.381	2.037	70	50	GEIA	
CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@H]2c1cc(Cl)c2c(c1)OCO2	218124052	KWVKLAILXQDVBQ-VIFPVBQESA-N	391.763	2.375	70	50	GEIA	
COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1ccc2c(c1)OCC(=O)N2	218278674	CMDSHOJIZHYZEZ-AWEZNQCLSA-N	398.371	2.275	70	50	GEIA	
CCc1n[nH]c(=O)c(CNC(=O)c2ccc(N3CCC(C)CC3)nc2)c1CC	160114119	UHKKNFCINCBSAZ-UHFFFAOYSA-N	383.496	2.456	70	50	GEIA	
COc1cn(CC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c(C)cc1=O	218159119	LPNVADKIPYXZSH-UHFFFAOYSA-N	387.455	2.085	70	50	GEIA	
Cc1cc(N2CCN(C(=O)[C@H]3CCC[C@@H](O)C3)CC2)nc(-c2ccccc2O)n1	218700679	VZIQBAHADMZAMT-DLBZAZTESA-N	396.491	2.357	70	50	GEIA	
Cc1cc(C)n(C[C@@H]2CCCO2)c(=O)c1C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1	218479590	MYMKDISZWBPOBO-KGVIQGDOSA-N	388.508	2.411	70	50	GEIA	
CC(=O)Nc1cccc(NC(=O)CC[C@@H]2NC(=O)N(Cc3ccco3)C2=O)c1	218356225	IRCSDCQPUIBWEJ-INIZCTEOSA-N	384.392	2.077	70	50	GEIA	
CN(C)C[C@H](O)c1cc2n(n1)CCCN(C1CCN(C3CCCC3)CC1)C2	218347379	JZOSXGJERWYTST-NRFANRHFSA-N	375.561	2.091	70	50	GEIA	
COc1ccc2c(c1OC)C(=O)N1[C@H]2SC[C@H]1C(=O)NCCc1ccncc1	218600435	FNEXFTDCWDZFOM-XOBRGWDASA-N	399.472	2.028	70	50	GEIA	
C[C@H]1CN(C2CCN(C(=O)Nc3cccc(-c4ncn(C)n4)c3)CC2)CCO1	161407965	WPRYCGBBLRTGDG-HNNXBMFYSA-N	384.484	2.199	70	50	GEIA	
Cc1[nH]c(=O)c(C(=O)N[C@@H]2COCC[C@H]2Oc2ccccn2)c(C)c1Cl	218375902	GXOGAZFYXQJNCA-CHWSQXEVSA-N	377.828	2.006	70	50	GEIA	
COC(=O)C[C@@H](c1cc(OC)c(OC)c(OC)c1)c1c(O)cc(C)oc1=O	217945456	CNXIYQMXJNGVGW-LBPRGKRZSA-N	378.377	2.375	70	50	GEIA	biogenic
CCn1c(SCCC(=O)NC[C@@H]2CCS(=O)(=O)C2)nc2ccccc21	217959611	GPIXPWNUUCXKQC-ZDUSSCGKSA-N	381.523	2.089	70	50	GEIA	
COc1ccc(CNC(=O)Cn2cc(-c3ccccc3)ncc2=O)cc1OC	218294299	BAFBMRCQKLRLRI-UHFFFAOYSA-N	379.416	2.244	70	50	GEIA	
COc1ccc2ncc(C(=O)N3CCN(CCc4ccncc4)CC3)c(O)c2c1	218336416	XSNPDUAJKVWCQC-UHFFFAOYSA-N	392.459	2.345	70	50	GEIA	
CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@@H]2c1coc2ccccc2c1=O	217711653	MQPNKBLPKHMZPC-LLVKDONJSA-N	381.340	2.099	70	50	GEIA	biogenic
COc1ccc([C@H](NC(=O)c2cc(=O)c3ccccc3o2)C2CC(O)C2)cn1	218249810	IYEPUFIMCYDPJM-DHRDCHLVSA-N	380.400	2.439	70	50	GEIA	
O=C1N[C@@H](CC(=O)N2CCc3c([nH]c4ccccc34)C2)C(=O)Nc2ccccc21	217640279	MSQAGVDYLHYVER-SFHVURJKSA-N	388.427	2.193	70	50	GEIA	biogenic
CCOc1ccc(NC(=O)c2ccc(C(N)=O)cc2)cc1S(=O)(=O)Cl	100237948	QIPXCLIFSIEDMF-UHFFFAOYSA-N	382.825	2.364	70	50	GEIA	
CC1=C(C(=O)N2CCN(Cc3cccc(C)c3)C(=O)[C@@H]2C)SC2=NCCN21	218729800	IRBHIBVRZZWLLG-HNNXBMFYSA-N	384.505	2.204	70	50	GEIA	
CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(Cn2cc(C)cn2)on1	160306888	YYNATRLSVNTRPL-UHFFFAOYSA-N	392.419	2.127	70	50	GEIA	
Cc1c(C(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)cnn1C1CCOCC1	161202557	BNILLDBKYYXQQW-LJQANCHMSA-N	382.464	2.246	70	50	GEIA	
N#Cc1cc(C(=O)c2cc(F)ccc2OS(=O)(=O)F)cn(C2CC2)c1=O	1875389879	DUUKYJFMCALANH-UHFFFAOYSA-N	380.328	2.018	70	50	GEIA	
COc1c[nH]c(C(=O)N[C@@H](c2cnc3ccccc3c2)C2CC(O)C2)cc1=O	218682995	LSNBGUDOYGDPLC-ZNQCYWAISA-N	379.416	2.174	70	50	GEIA	
COCc1ccc(C(=O)N[C@@H]2COCC[C@H]2Oc2ccc(CO)cc2)s1	218640779	YUPWIXQYYIJPRI-IAGOWNOFSA-N	377.462	2.353	70	50	GEIA	
CC1CCN(C2CCC(NC(=O)[C@H](Cc3ccccc3)NC(N)=O)CC2)CC1	161467912	BSWYLLMEBAIKRZ-MHJFOBGBSA-N	386.540	2.425	70	50	GEIA	
COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1	218423047	FSEBLPLESYLDHA-AWEZNQCLSA-N	383.360	2.114	70	50	GEIA	
Cc1cc(C)n(C[C@@H]2CCCO2)c(=O)c1C(=O)NCc1nc2ccccc2[nH]1	218533573	KIPNHBXHBMXWSZ-HNNXBMFYSA-N	380.448	2.450	70	50	GEIA	
COCCn1c([C@H](C)NC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)nc2ccccc21	218423418	UAOLZJZIYLJYIR-JKSUJKDBSA-N	386.496	2.364	70	50	GEIA	
Cc1occc1C(=O)NC1CCN(C(=O)c2csc(S(C)(=O)=O)c2)CC1	160585318	QMBAIHZITASLPI-UHFFFAOYSA-N	396.490	2.088	70	50	GEIA	
Cc1cc(C[C@@H](C)NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)n[nH]1	161132687	GUTKKIASHAVPGA-RDTXWAMCSA-N	390.509	2.009	70	50	GEIA	
COC(=O)C[C@@H](c1cc(OC)c(OC)cc1OC)c1c(O)cc(C)oc1=O	218026285	BCSXJIXOFAWZGE-LBPRGKRZSA-N	378.377	2.375	70	50	GEIA	biogenic
O=S(=O)(F)N1CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1	1875368540	ZLJVGORWJPXRQV-UHFFFAOYSA-N	394.350	2.087	70	50	GEIA	
Cn1c(CNC(=O)Nc2ccc(OS(=O)(=O)F)cc2)nc2ccccc21	1875388360	YHJXCPWHOFLVLU-UHFFFAOYSA-N	378.385	2.488	70	50	GEIA	
Cn1cc(CNC(=O)Nc2ccc(OS(=O)(=O)F)cc2)c(C(F)F)n1	1875387305	AVYTZIKQDMNLJL-UHFFFAOYSA-N	378.332	2.273	70	50	GEIA	
COCCn1c([C@H](C)NC(=O)[C@H]2CC(=O)N(CC(C)C)C2)nc2ccccc21	218423496	UAOLZJZIYLJYIR-HOTGVXAUSA-N	386.496	2.364	70	50	GEIA	
Cn1c(CN2CCN(c3ccccc3)CC2)cc(=O)c(O)c1CN1CCCCC1	218121949	QIYWCNHBAZNPIR-UHFFFAOYSA-N	396.535	2.399	70	50	GEIA	
COC(=O)C[C@H](c1cc2cc(OC)ccc2[nH]c1=O)c1c(O)cc(C)oc1=O	218037325	HKDQVNBOLQYNAK-CYBMUJFWSA-N	385.372	2.199	70	50	GEIA	biogenic
COCCn1c(CNC(=O)c2cc(=O)[nH]c3ccccc23)nc2ccccc21	218300807	XXQNXVFONBBSEG-UHFFFAOYSA-N	376.416	2.454	70	50	GEIA	
COC(=O)c1ccccc1Nc1c(NC[C@H]2COc3ccccc3O2)c(=O)c1=O	218189243	DJUOYIOPXNVZEQ-LBPRGKRZSA-N	394.383	2.065	70	50	GEIA	
COC(=O)c1sccc1Nc1c(NCc2ccc3c(c2)OCO3)c(=O)c1=O	218182575	GLUIWNUUBDYASG-UHFFFAOYSA-N	386.385	2.215	70	50	GEIA	
O=C1[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)N1c1ccc(F)cc1	217723522	NPVGNYPQZCUENW-FBAVSBLXSA-N	391.402	2.257	70	50	GEIA	
COC(=O)C[C@@H](c1c(O)cc(C)oc1=O)c1coc2ccc(OC)cc2c1=O	218066739	ZRYJMNLCMCRBRP-GFCCVEGCSA-N	386.356	2.464	70	50	GEIA	biogenic
COc1ccc(-c2n[nH]cc2C(=O)N[C@H](CO)Cc2ccccc2)c(OC)c1	218243130	VCGUSCOUOBKPIZ-HNNXBMFYSA-N	381.432	2.427	70	50	GEIA	
C[C@H](NC(=O)COc1ccccc1-n1cnnc1)c1nc2ccccc2n1C	218317372	RIRZMGRNRQQBOT-AWEZNQCLSA-N	376.420	2.410	70	50	GEIA	
C[C@H](C(=O)Nc1n[nH]c(Cc2ccc(F)cc2)n1)n1cnc2ccccc2c1=O	218439530	NIRKKKSVAJRKSV-GFCCVEGCSA-N	392.394	2.444	70	50	GEIA	
O=C([C@H]1CCCC[C@H]1C(=O)N1CCCC1)N1CCN(c2ccccc2)C(=O)C1	217152619	BVHBKBYZZTUSEE-MOPGFXCFSA-N	383.492	2.291	70	50	GEIA	
CSCC[C@@H](CO)NC(=O)c1ccc(-n2ncc3ccccc3c2=O)cc1	218126747	NNALBRKRVSGJID-INIZCTEOSA-N	383.473	2.230	70	50	GEIA	
COc1ccc(Cc2nc(NC(=O)CCCc3nnc4ccccn34)n[nH]2)cc1	218293160	VMPYSTPZAZZZSA-UHFFFAOYSA-N	391.435	2.408	70	50	GEIA	
O=C(C[C@H]1C=CS(=O)(=O)C1)N1CCCN(c2nc3ccccc3s2)CC1	217540084	YLWVHNMBMACRDN-CQSZACIVSA-N	391.518	2.283	70	50	GEIA	
CCn1c(SCCC(=O)NC[C@H]2CCS(=O)(=O)C2)nc2ccccc21	217959705	GPIXPWNUUCXKQC-CYBMUJFWSA-N	381.523	2.089	70	50	GEIA	
O=C(NC[C@@H]1CCCN(c2ccccn2)C1)C1(N2CCOCC2)CCCCC1	218206747	XGUHNUDXPWUGLW-IBGZPJMESA-N	386.540	2.449	70	50	GEIA	
COC(=O)C[C@@H](c1cc2cc(OC)ccc2[nH]c1=O)c1c(O)cc(C)oc1=O	218037244	HKDQVNBOLQYNAK-ZDUSSCGKSA-N	385.372	2.199	70	50	GEIA	biogenic
Nc1nc(N2CCN(c3ccc(F)c(Cl)c3)CC2)cc([C@H]2C[C@H](N)C2)n1	218249201	MAVJUFFHMONKAH-TXEJJXNPSA-N	376.867	2.383	70	50	GEIA	
O=C(NCC1CCOCC1)[C@H]1CC(=O)N(c2cccc(OC(F)(F)F)c2)C1	218359191	KJSLOMURMIGURW-ZDUSSCGKSA-N	386.370	2.481	70	50	GEIA	
COCCn1c(CCNC(=O)c2cc(-c3ccccn3)n[nH]2)nc2ccccc21	218506713	YVWGTPGWMZQXER-UHFFFAOYSA-N	390.447	2.440	70	50	GEIA	
Cc1nc2ccccc2c(=O)n1CCNC(=O)CC1(n2cccc2)CCOCC1	218216346	SJJQTMYQQSFBNO-UHFFFAOYSA-N	394.475	2.219	70	50	GEIA	
COc1ccc2c(ccn2CCNC(=O)CCCn2c(C)cc(C)nc2=O)c1	218469194	ZAYNGZVEIDNOGL-UHFFFAOYSA-N	382.464	2.420	70	50	GEIA	
COc1cccc2c1ccn2CCNC(=O)COc1cccc(-n2cnnc2)c1	218551381	HPDKUEBQNKTXIG-UHFFFAOYSA-N	391.431	2.426	70	50	GEIA	
Cc1cc(C[C@@H](C)NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)n[nH]1	161132475	GUTKKIASHAVPGA-KDOFPFPSSA-N	390.509	2.009	70	50	GEIA	
Cc1cc(C)n(C[C@@H]2CCCO2)c(=O)c1C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1	218479498	MYMKDISZWBPOBO-FGSXEWAUSA-N	388.508	2.411	70	50	GEIA	
COCCCn1c(C)cc(C)c(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c1=O	218044786	DLNKKEDUTKWTDB-UTKZUKDTSA-N	376.497	2.269	70	50	GEIA	biogenic
COC(=O)C[C@H](c1ccc(F)c(Cl)c1)c1c(O)c(C(=O)OC)c[nH]c1=O	218607226	SPMMZZHQAOVDRT-SECBINFHSA-N	383.759	2.355	70	50	GEIA	
CN1CCN(C)[C@@H](CC(=O)NC2CCN(Cc3ccccc3Cl)CC2)C1	217052050	IAFQJLUBMIKJGQ-SFHVURJKSA-N	378.948	2.057	70	50	GEIA	
OC[C@H](O)c1cc2n(n1)CCCN(CC1=Cc3cc(Cl)ccc3OC1)C2	217921602	OGWMUQUAFQOTDV-SFHVURJKSA-N	375.856	2.244	70	50	GEIA	
COC(=O)C[C@@H](c1c(O)cc(C)oc1=O)c1cc2cccc3c2n(c1=O)CC3	217941058	BRXZWHOSNBGRGY-CQSZACIVSA-N	381.384	2.220	70	50	GEIA	biogenic
Cc1noc(C)c1CO[C@H]1CCOC[C@H]1NC(=O)c1cn2ccsc2n1	218041936	ITHHBRFEAPRXOV-CABCVRRESA-N	376.438	2.105	70	50	GEIA	
COC(=O)C[C@H](c1c(O)cc(C)oc1=O)c1coc2ccc(OC)cc2c1=O	218066667	ZRYJMNLCMCRBRP-LBPRGKRZSA-N	386.356	2.464	70	50	GEIA	biogenic
COc1ccccc1N1C[C@H](C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)CC1=O	217688178	RUTPNRQEZGCVJK-RCCFBDPRSA-N	385.508	2.429	70	50	GEIA	biogenic
O=C(c1cnc2ccc(F)cc2c1O)N1CCN(CCc2ccncc2)CC1	218380652	VNVZWWXFDXYKOI-UHFFFAOYSA-N	380.423	2.475	70	50	GEIA	
Cc1ccccc1S(=O)(=O)N[C@@H]1CCOC[C@H]1OCc1c(C)noc1C	218686262	WXMUFJMBJIMPNB-IAGOWNOFSA-N	380.466	2.252	70	50	GEIA	
Cc1csc(NC(=O)C[C@@H]2NC(=O)N(CCc3c[nH]c4ccccc34)C2=O)n1	218187236	IZPGZCOSPHQGMI-HNNXBMFYSA-N	397.460	2.425	70	50	GEIA	
O=C1C[C@@H](c2cc3cc4c(cc3[nH]c2=O)OCCO4)c2cc3c(cc2O1)OCO3	217633559	FDPUXPAKBOQKQZ-LLVKDONJSA-N	393.351	2.469	70	50	GEIA	biogenic
COc1ccc([C@H](CC(N)=O)c2c(Cc3ccc4c(c3)CCO4)[nH][nH]c2=O)cc1	218565777	YEDHAPMRIYCBJT-KRWDZBQOSA-N	393.443	2.245	70	50	GEIA	
Cc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@@H](c1cnn(C)c1)CC(=O)O2	217972952	CGRNPQJFMBCMNL-QGZVFWFLSA-N	379.416	2.280	70	50	GEIA	biogenic
CCOc1ccccc1C(=O)NCC(=O)N[C@H](C)c1cn(-c2ccccc2)nn1	160320882	CNWHHRPJXHDYSR-OAHLLOKOSA-N	393.447	2.273	70	50	GEIA	
O=C(NC[C@@H]1CN(C2CC2)CCO1)c1ccn(-c2cccc(C(F)(F)F)c2)n1	160372211	XAXIQSUMWQYAJG-MRXNPFEDSA-N	394.397	2.484	70	50	GEIA	
CC1(C)CN(C(=O)CCc2nc(-c3ccc(Cl)cc3)no2)CCS1(=O)=O	159966961	YZVVNSMELUUQEN-UHFFFAOYSA-N	397.884	2.358	70	50	GEIA	
Cc1ccc2[nH]c(CNC(=O)CC[C@@H]3NC(=O)c4ccccc4NC3=O)nc2c1	217740715	PLTBWCHJFORMGH-INIZCTEOSA-N	391.431	2.018	70	50	GEIA	biogenic
O=C1[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)N1c1ccc(F)cc1	217723436	NPVGNYPQZCUENW-KCXPTXFHSA-N	391.402	2.257	70	50	GEIA	
CC(C)[C@H](NC(=O)CCCNC(=O)c1cnccn1)c1nc2ccccc2n1C	218430575	IYWTUWWWRJJBEO-IBGZPJMESA-N	394.479	2.387	70	50	GEIA	
COc1ccccc1[C@@H](CC(N)=O)c1c(Cc2ccc3c(c2)CCO3)[nH][nH]c1=O	218432532	QEBQDLGMCXSUBG-MRXNPFEDSA-N	393.443	2.245	70	50	GEIA	
CCCC(=O)c1cn(CC(=O)NCCc2nc(N)cc(O)n2)c2ccccc12	218629317	WBMKLLCHJFYPDN-UHFFFAOYSA-N	381.436	2.061	70	50	GEIA	
COc1ccc(-c2n[nH]cc2C(=O)N[C@H](CO)Cc2ccccc2)cc1OC	218235149	UTNLJUHXDQXDNU-INIZCTEOSA-N	381.432	2.427	70	50	GEIA	
Cn1cnc(-c2ccc(NC(=O)NCc3ccc(S(C)(=O)=O)cc3)cc2)n1	160469192	QPEAPWHSMPSWBP-UHFFFAOYSA-N	385.449	2.207	70	50	GEIA	
COCCN(Cc1ccccn1)C(=O)Nc1ccc(OS(=O)(=O)F)cc1	1875382734	OJRXHHRKYZFJTE-UHFFFAOYSA-N	383.401	2.355	70	50	GEIA	
Cc1cc(=O)c2ccccc2n1CC(=O)N[C@H]1CCCN(Cc2cccnc2)C1	218678996	LUFBGBAWACVTOP-IBGZPJMESA-N	390.487	2.486	70	50	GEIA	
COc1ccccc1N1C[C@@H](C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)CC1=O	217688266	RUTPNRQEZGCVJK-OKZBNKHCSA-N	385.508	2.429	70	50	GEIA	
O=C(NCC1CCOCC1)[C@@H]1CC(=O)N(c2cccc(OC(F)(F)F)c2)C1	218359123	KJSLOMURMIGURW-CYBMUJFWSA-N	386.370	2.481	70	50	GEIA	
CC[C@H](NC(=O)CCn1cnc2ccccc2c1=O)c1cn2cccnc2n1	217116662	RXRUORLLBWUXPF-HNNXBMFYSA-N	376.420	2.097	70	50	GEIA	
COc1ccc(NC(=O)CCc2c(C)[nH]c3c4ccccc4nn3c2=O)cn1	218476238	IEKRVFNZQGMOIY-UHFFFAOYSA-N	377.404	2.459	70	50	GEIA	
CN1CCN([C@@H](c2cccc(OC(F)F)c2)c2sc3ncnn3c2O)CC1	218433595	KDCQZUVGRXDVAK-ZDUSSCGKSA-N	395.435	2.435	70	50	GEIA	
O=C(Nc1ccnn1[C@@H]1CCS(=O)(=O)C1)NC1C2CC3CC(C2)CC1C3	160785113	BCOGQCFRAJOFLT-UWRLEFKFSA-N	378.498	2.189	70	50	GEIA	
O=C(Nc1ccnn1[C@H]1CCS(=O)(=O)C1)NC1C2CC3CC(C2)CC1C3	160785233	BCOGQCFRAJOFLT-RWUOKQAASA-N	378.498	2.189	70	50	GEIA	
Cn1cncc1C1CCN(C(=O)Nc2ccc(OS(=O)(=O)F)cc2)CC1	1875382617	JEXRLINRIUEXTK-UHFFFAOYSA-N	382.417	2.425	70	50	GEIA	
CCN(C(=O)[C@@H]1CC[C@H](NC(=O)CN(C)c2ccccc2)C1)C1CCOCC1	216846467	ILQCRHJLOCPVDR-MSOLQXFVSA-N	387.524	2.435	70	50	GEIA	
COC(=O)C[C@@H](c1c(O)cc(C)oc1=O)c1cc2ccc(OC)cc2n(C)c1=O	217952979	SULRFPXIKUPBNY-CQSZACIVSA-N	399.399	2.209	70	50	GEIA	biogenic
CCn1cc(C(=O)N2CCc3n[nH]cc3C2)c(=O)c2cc(F)c(F)c(F)c21	218204770	OXXFTOCQQBKQLJ-UHFFFAOYSA-N	376.338	2.360	70	50	GEIA	
O=C1C[C@@H](c2cc3cc4c(cc3[nH]c2=O)OCO4)c2cc3c(cc2O1)OCO3	217875900	VWGPJTDOEBXNCG-SNVBAGLBSA-N	379.324	2.427	70	50	GEIA	biogenic
O=C(Cc1cnn(-c2ccccc2)c1)Nc1cncc(OS(=O)(=O)F)c1	1875387498	KRFCHXBRBXJUDZ-UHFFFAOYSA-N	376.369	2.042	70	50	GEIA	
O=C([C@@H]1Cc2ccccc2S(=O)(=O)N1)N1CCc2c(Cl)cccc2C1	217562374	NYQNFXDCIIZOEP-INIZCTEOSA-N	376.865	2.128	70	50	GEIA	
O=C([C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1)N1CCc2[nH]ncc2C1	159870471	ILEGDDIUNYZNAF-OAHLLOKOSA-N	399.520	2.246	70	50	GEIA	
COC(=O)[C@H](Cc1ccc(OS(=O)(=O)F)cc1)N(C)C(=O)OC(C)(C)C	1875374578	XDZJZNOMTSCBOF-ZDUSSCGKSA-N	391.417	2.231	70	50	GEIA	
COCCn1c(C)cc(C)c(C(=O)N[C@@H](C)c2nc3ccccc3n2C)c1=O	218476735	CRUHIQMZVNKMHQ-HNNXBMFYSA-N	382.464	2.489	70	50	GEIA	
CCN1CCCN(Cc2ccc(OC)c(OC[C@@H](O)CN(C)C(C)C)c2)CC1	217096116	VDTCESMVHFERCP-FQEVSTJZSA-N	393.572	2.303	70	50	GEIA	
COC(=O)C[C@H](c1cc2ccc(OC)cc2[nH]c1=O)c1c(O)cc(C)oc1=O	218088536	PFNOKGOWCAMELT-CYBMUJFWSA-N	385.372	2.199	70	50	GEIA	biogenic
O=C(c1cnc2ccc(F)cc2c1O)N1CCN(CCc2ccccn2)CC1	218372619	WWPHSJVFEFMUAZ-UHFFFAOYSA-N	380.423	2.475	70	50	GEIA	
Cc1nc2sccn2c1C(=O)N[C@@H]1COCC[C@@H]1OCc1cscn1	218530258	GCWFTTZWMWYSTA-OLZOCXBDSA-N	378.479	2.265	70	50	GEIA	
COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1	218422961	FSEBLPLESYLDHA-CQSZACIVSA-N	383.360	2.114	70	50	GEIA	
O=C1[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)N1c1cccc(F)c1	217723352	XIRZRIMQXCVAIQ-FBAVSBLXSA-N	391.402	2.257	70	50	GEIA	
O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1nc(-c2cccs2)n[nH]1	217820850	PEJYLVLCZLZRIT-LBPRGKRZSA-N	396.432	2.003	70	50	GEIA	biogenic
O=C(c1cnc2c(F)cccc2c1O)N1CCN(CCc2ccncc2)CC1	218441464	LLGQAYGBYNLFEW-UHFFFAOYSA-N	380.423	2.475	70	50	GEIA	
Cc1cc(C)n2c(CN3CCN(C(=O)COc4ccc(F)cc4)CC3)cnc2n1	160610635	BOVHDKHPTDDTFC-UHFFFAOYSA-N	397.454	2.208	70	50	GEIA	
NC(=O)[C@@H]1CC[C@@H](CNC(=O)c2nc(-c3ccccc3)n3c2CCCCC3)O1	161269298	SSHPVUJHKRVSIP-RDJZCZTQSA-N	382.464	2.039	70	50	GEIA	
CN(C)C(=O)C[C@H](O)c1cc2n(n1)CCN(Cc1c(F)cccc1Cl)C2	218641135	SBPUNEAEFWIQJP-KRWDZBQOSA-N	380.851	2.203	70	50	GEIA	
CSCC[C@@H](CO)NC(=O)[C@H](Cc1ccccc1)N1Cc2ccccc2C1=O	217881905	FTJOPIZROIZAGB-ICSRJNTNSA-N	398.528	2.484	70	50	GEIA	biogenic
COc1ccc2ncc(C(=O)N3CCN(CCc4ccccn4)CC3)c(O)c2c1	218305058	SANYICDNIUXTSM-UHFFFAOYSA-N	392.459	2.345	70	50	GEIA	
COc1ccccc1-n1cc([C@H](C)NC(=O)CN(C)C2CCN(C)CC2)cn1	218172880	BJRQUXCJNSBSPK-INIZCTEOSA-N	385.512	2.084	70	50	GEIA	
CCC[C@H]1CN(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)CCN1CCOC	161383672	LNDZMUPVEXTUOE-SFHVURJKSA-N	386.500	2.447	70	50	GEIA	
O=C1[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)N1c1cccc(F)c1	217723250	XIRZRIMQXCVAIQ-KCXPTXFHSA-N	391.402	2.257	70	50	GEIA	
COc1ccc2c(ccn2CCNC(=O)[C@H](Cc2ccccc2)n2cnnn2)c1	218336932	UWWMYPVXBHOIEZ-FQEVSTJZSA-N	390.447	2.237	70	50	GEIA	
CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@@H]2c1cc(Cl)c2c(c1)OCO2	218123981	KWVKLAILXQDVBQ-SECBINFHSA-N	391.763	2.375	70	50	GEIA	
CCNc1ncc(CN2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2c(C)noc2C)cn1	216666630	WXFRRKDVXMFGEM-SJORKVTESA-N	384.484	2.136	70	50	GEIA	
Cc1cc(C)n(C[C@H]2CCCO2)c(=O)c1C(=O)NCc1nc2ccccc2[nH]1	218533650	KIPNHBXHBMXWSZ-OAHLLOKOSA-N	380.448	2.450	70	50	GEIA	
COc1ncccc1C(=O)N1CCCn2nc([C@H](O)c3ccccc3)cc2C1	218171989	CHBPPXDVLQQNJP-LJQANCHMSA-N	378.432	2.415	70	50	GEIA	
COC(=O)C[C@@H](c1cc2ccc(OC)cc2[nH]c1=O)c1c(O)cc(C)oc1=O	218088458	PFNOKGOWCAMELT-ZDUSSCGKSA-N	385.372	2.199	70	50	GEIA	biogenic
COc1ncccc1C(=O)N1CCCn2nc([C@@H](O)c3ccccc3)cc2C1	218171903	CHBPPXDVLQQNJP-IBGZPJMESA-N	378.432	2.415	70	50	GEIA	
COc1ccc([C@@H](NC(=O)c2cc(=O)c3ccccc3o2)C2CC(O)C2)cn1	218249734	IYEPUFIMCYDPJM-RUZSNYSVSA-N	380.400	2.439	70	50	GEIA	
O=C(OCC(F)(F)F)N1CCN(c2ccc(OS(=O)(=O)F)cc2)CC1	1875368434	RAMJNYJVEGYTMD-UHFFFAOYSA-N	386.323	2.101	70	50	GEIA	
COCCn1c(C)cc(C)c(C(=O)N[C@@H](c2ccccc2)c2nccn2C)c1=O	218488701	CDSPHSQCHHUDDD-IBGZPJMESA-N	394.475	2.364	70	50	GEIA	
CCCn1nccc1C(=O)N[C@H]1CC[C@@H](C(=O)NC2Cc3ccccc3C2)C1	216841343	AKUQVJGRNSHSFC-MSOLQXFVSA-N	380.492	2.475	70	50	GEIA	
O=C(N[C@H]1CCS(=O)(=O)C1)c1cc(Br)ccc1-n1cccc1	218463477	QYHILYSZMWHRLZ-LBPRGKRZSA-N	383.267	2.157	70	50	GEIA	
Cc1cc(S(=O)(=O)NCC(=O)N2CCC[C@@H]2c2ccccn2)ccc1F	217515258	SZALMHNFWMJUIL-QGZVFWFLSA-N	377.441	2.171	70	50	GEIA	
CCN(CC)c1ccc2cc(C(=O)NCCCS(=O)(=O)F)c(=O)oc2c1	2325886017	OMEJZEMXDCFIDD-UHFFFAOYSA-N	384.429	2.058	70	50	GEIA	
O=C(c1cc(-c2ccccc2O)n[nH]1)N1CCc2[nH]c(-c3cn[nH]c3)nc2C1	217733563	WMMUXGKPWCNBLO-UHFFFAOYSA-N	375.392	2.094	70	50	GEIA	
CC(C)Oc1ccccc1CNC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O	217836748	QHMYHZKHWSVTLF-KRWDZBQOSA-N	381.432	2.231	70	50	GEIA	biogenic
Cn1nnc2ccc(NC(=O)CC3(n4cccc4)CCSCC3)cc2c1=O	218242992	HPXXRNONWBCTGA-UHFFFAOYSA-N	383.477	2.381	70	50	GEIA	
COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1ccc2c(c1)NC(=O)CO2	218400248	ZIMRNKAELNFBCN-HNNXBMFYSA-N	398.371	2.275	70	50	GEIA	
Cc1cc(C(=O)N2CCN(Cc3ccccc3Cl)CC2)c2c(=O)[nH]n(C)c2n1	161382318	AAPOINYWRRGOJT-UHFFFAOYSA-N	399.882	2.181	70	50	GEIA	
Cc1ncsc1CCC(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(CO)cc1	218757544	LMMKEGNFROPZTM-IAGOWNOFSA-N	376.478	2.229	70	50	GEIA	
CCOC(=O)c1csc(NC(=O)[C@H]2CC(=O)N(Cc3cccc(F)c3)C2)n1	218343531	QIOOHTVEUSETOM-LBPRGKRZSA-N	391.424	2.446	70	50	GEIA	
CO[C@H]1CN(C)C[C@@H]1NC(=O)C(=O)c1c(-c2ccccc2)cc2ccccn12	218401801	AARZGTQSDGFGFE-OALUTQOASA-N	377.444	2.234	70	50	GEIA	
O=C(COc1ccc2c(c1)NC(=O)CC2)Nc1n[nH]c(CCc2ccccc2)n1	218483452	WNGVZMUQBIQEPK-UHFFFAOYSA-N	391.431	2.492	70	50	GEIA	
CCN(C(=O)NC1CCN(CCOC)CC1)[C@@H]1CCN(Cc2ccccc2)C1	159673960	GMLVLBCAIYWBKV-OAQYLSRUSA-N	388.556	2.403	70	50	GEIA	
CC[C@@H](NC(=O)CCn1cnc2ccccc2c1=O)c1cn2cccnc2n1	217116648	RXRUORLLBWUXPF-OAHLLOKOSA-N	376.420	2.097	70	50	GEIA	
O=C(Nc1n[nH]c(C(F)(F)F)n1)C1CCN(c2ccc(Cl)nn2)CC1	218426740	CGVXIYNANNSYQS-UHFFFAOYSA-N	375.742	2.122	70	50	GEIA	
Cn1cccc1CNC(=O)C[C@@H]1NC(=O)N(c2cccc3ccccc23)C1=O	218449759	LBEMKQHZLDIHTM-KRWDZBQOSA-N	376.416	2.310	70	50	GEIA	
O=C(O)CCC(=O)Nc1ccc(NC(=O)c2ccc(S(=O)(=O)F)cc2)cc1	101017469	WDIPQQNWBBWYCR-UHFFFAOYSA-N	394.380	2.400	70	50	GEIA	
COc1ccc2c(ccn2CCNC(=O)CCc2c(C)nc3ncnn3c2C)c1	218516179	AEZDQFPEECMZON-UHFFFAOYSA-N	392.463	2.453	70	50	GEIA	
COc1ccc2c(c1OC)C(=O)N1[C@@H](C(=O)NCCc3ccncc3)CS[C@H]21	218600203	FNEXFTDCWDZFOM-JLTOFOAXSA-N	399.472	2.028	70	50	GEIA	
COc1ccc(-c2cc(C(=O)N[C@H](CO)Cc3ccccc3)n(C)n2)c(OC)c1	218296497	SNEPGJNLBVOBBV-INIZCTEOSA-N	395.459	2.438	70	50	GEIA	
Cn1cnc2cc(NC(=O)[C@H]3CC(=O)N(CCc4ccc(O)cc4)C3)ccc21	218407482	NNQUHALSYQIBDE-HNNXBMFYSA-N	378.432	2.309	70	50	GEIA	
O=C1C[C@H](c2cc3cc4c(cc3[nH]c2=O)OCCO4)c2cc3c(cc2O1)OCO3	217633647	FDPUXPAKBOQKQZ-NSHDSACASA-N	393.351	2.469	70	50	GEIA	biogenic
COc1nscc1CN(C)C(=O)Nc1ccc(OS(=O)(=O)F)cc1	1875382821	SUKOFAJCNDXKEB-UHFFFAOYSA-N	375.403	2.409	70	50	GEIA	
CN(C)C[C@H](O)c1cc2n(n1)CCCN(C(=O)Cc1cccc(Cl)c1)C2	218002588	BURXCMJAIKFKSX-SFHVURJKSA-N	376.888	2.107	70	50	GEIA	
Cc1cccc(S(=O)(=O)N[C@@H]2CCOC[C@H]2OCc2c(C)noc2C)c1	218346876	KYAACSKXFPXLCQ-QZTJIDSGSA-N	380.466	2.252	70	50	GEIA	
COC(=O)[C@@H](Cc1ccc(OS(=O)(=O)F)cc1)N(C)C(=O)OC(C)(C)C	1875374577	XDZJZNOMTSCBOF-CYBMUJFWSA-N	391.417	2.231	70	50	GEIA	
O=C(NCCn1ccc2ccc(F)cc21)[C@H](Cc1ccccc1)n1cnnn1	218175215	DJNCKRFEFUXNAG-IBGZPJMESA-N	378.411	2.367	70	50	GEIA	
COc1ccc2c(O)c(C(=O)N3CCN(CCc4ccncc4)CC3)cnc2c1	218254506	OVQLSLXWZJHNDZ-UHFFFAOYSA-N	392.459	2.345	70	50	GEIA	
COc1ccc2ncc(C(=O)N3CCn4c(nnc4C(F)(F)F)C3)c(O)c2c1	218202300	DPEYQZFGLIHEQU-UHFFFAOYSA-N	393.325	2.215	70	50	GEIA	
COC(=O)C[C@H](c1c(O)cc(C)oc1=O)c1cc2ccc(OC)cc2n(C)c1=O	217952893	SULRFPXIKUPBNY-AWEZNQCLSA-N	399.399	2.209	70	50	GEIA	biogenic
COCCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)c2cccc(C)c2Cl)C1	218692136	OAYVJOOTJYDKRY-JOCQHMNTSA-N	378.860	2.055	70	50	GEIA	
CN(Cc1cc(-c2ccncc2)no1)C(=O)c1nn(C)c(=O)c2ccccc12	218326269	MNDUVEXSNKYDJT-UHFFFAOYSA-N	375.388	2.256	70	50	GEIA	
COc1ccc([C@@H](CC(N)=O)c2c(Cc3ccccc3)[nH][nH]c2=O)cc1OC	218203332	ZILJYDRXYWAHSM-OAHLLOKOSA-N	381.432	2.318	70	50	GEIA	
COc1ccc2c(ccn2CCNC(=O)CCN2C(=O)CC3(CCCC3)C2=O)c1	218300514	VGDIDAACVSBDBC-UHFFFAOYSA-N	397.475	2.476	70	50	GEIA	
COC(=O)C[C@H](c1cc(OC)c(OC)cc1OC)c1c(O)cc(C)oc1=O	218026206	BCSXJIXOFAWZGE-GFCCVEGCSA-N	378.377	2.375	70	50	GEIA	biogenic
CN(C)Cc1nc(C(=O)N[C@@H]2CCOC[C@H]2Oc2cccc(F)c2)cs1	218142839	WIIQBDCWSAABFJ-GDBMZVCRSA-N	379.457	2.310	70	50	GEIA	
COc1ccc2c(ccn2CCNC(=O)CCc2nc3nc(C)cc(C)n3n2)c1	218493424	OSQYJOWOPVFTTD-UHFFFAOYSA-N	392.463	2.453	70	50	GEIA	
COc1cccc2c1ccn2CCNC(=O)COc1ccccc1-n1cnnc1	218487594	BBNLBDCILZGHMX-UHFFFAOYSA-N	391.431	2.426	70	50	GEIA	
Cc1[nH]c2c3c(F)cccc3nn2c(=O)c1CCC(=O)Nc1n[nH]c(C(C)C)n1	218344692	NGMLBMDRCMIFAZ-UHFFFAOYSA-N	397.414	2.436	70	50	GEIA	
O=C(C[C@@H]1NC(=O)N(c2cccc3ccccc23)C1=O)NCCCn1ccnc1	218540338	MFKYOMCLBXIJRF-KRWDZBQOSA-N	391.431	2.058	70	50	GEIA	
O=c1c(NCc2ccccn2)c(N2CCN(Cc3ccccc3Cl)CC2)c1=O	218222393	FZNADNFTLUWYSJ-UHFFFAOYSA-N	396.878	2.265	70	50	GEIA	
CC(=O)N1CC(Nc2cnn(Cc3c(F)c(F)c(F)c(F)c3F)c2)=CC1=O	218503841	MBRLHGQVPUQEIB-UHFFFAOYSA-N	386.280	2.311	70	50	GEIA	
C[C@H](NC(=O)C1(c2ccc(S(C)(=O)=O)cc2)CCC1)C1CCN(C)CC1	218437187	NVBYHXUFPJHVMO-HNNXBMFYSA-N	378.538	2.358	70	50	GEIA	
COc1cccc([C@H](O)C(=O)N2CCC(NC(=O)c3ccccc3C)CC2)c1	159498585	BZVRPGGKCOQQGG-FQEVSTJZSA-N	382.460	2.458	70	50	GEIA	
COc1c(Br)cc(S(=O)(=O)Cl)c(OC)c1S(=O)(=O)F	238856733	XARWISYZWMPPQA-UHFFFAOYSA-N	397.627	2.052	70	50	GEIA	
COc1cccc([C@@H](O)C(=O)N2CCC(NC(=O)c3ccccc3C)CC2)c1	159498447	BZVRPGGKCOQQGG-HXUWFJFHSA-N	382.460	2.458	70	50	GEIA	
O=c1cc(CN2CCCCC2)oc(CN2CCN(CC(F)(F)F)CC2)c1O	218457569	YQTPROKQHYZGIN-UHFFFAOYSA-N	389.418	2.011	70	50	GEIA	
CSCC[C@H](NC(=O)c1ccn2nnnc2c1)c1nc2ccccc2n1C	218166099	JQHSYMMIPUYTIC-AWEZNQCLSA-N	381.465	2.235	70	50	GEIA	
O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1cccc2nsnc12	217775131	NYASUPLWVGMWJM-AWEZNQCLSA-N	381.417	2.161	70	50	GEIA	biogenic
COc1ccc([C@H](CC(N)=O)c2c(Cc3ccccc3)[nH][nH]c2=O)cc1OC	218203256	ZILJYDRXYWAHSM-HNNXBMFYSA-N	381.432	2.318	70	50	GEIA	
CC(=O)N1CC[C@@H](NS(=O)(=O)c2c(Cl)cc(F)cc2Br)C1	161073023	OLERFNVKTNKBRB-SECBINFHSA-N	399.669	2.141	70	50	GEIA	
Cc1cc(C)n(CCCC(=O)N[C@H]2CC[C@@H](C(=O)N3CCSCC3)C2)n1	216825162	RJPWXBJWLARVBB-SJORKVTESA-N	378.542	2.140	70	50	GEIA	
COCc1nc2n(n1)C[C@@H](NC(=O)N1CC[C@H](Cc3ccc(F)cc3)C1)CC2	160560846	SXXMDKNLVMDSSX-WBVHZDCISA-N	387.459	2.153	70	50	GEIA	
CC(C)c1nc(NC(=O)C[C@@H]2NC(=O)N(Cc3ccccc3Cl)C2=O)n[nH]1	218282745	XWQORJSOXYVYBU-LBPRGKRZSA-N	390.831	2.031	70	50	GEIA	
COC(=O)[C@@H](NC(=O)Cn1nc(-c2cccc3ccccc23)ccc1=O)C(C)C	218371027	GMXAKGFWWAKFES-NRFANRHFSA-N	393.443	2.377	70	50	GEIA	
COC(=O)C[C@H](c1c(F)cccc1Cl)c1c(O)c(C(=O)OC)c[nH]c1=O	218472505	BGMHOCQUGZLVOS-MRVPVSSYSA-N	383.759	2.355	70	50	GEIA	
CC(C)n1nnc(-c2ccc(C(=O)Nc3ccc4ncn(C)c(=O)c4c3)cc2)n1	218120261	PIKXPWFDMJEGAO-UHFFFAOYSA-N	389.419	2.420	70	50	GEIA	
CCN1CCCN(Cc2ccccc2OC[C@@H](O)CN2CCSCC2)CC1	217492073	XCKZTTMFKSVJQH-FQEVSTJZSA-N	393.597	2.003	70	50	GEIA	
O=C(C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)NCc1ccccc1	217937796	ZKHLODMTHMFDOD-IBGZPJMESA-N	390.443	2.337	70	50	GEIA	biogenic
NC(=O)[C@@H]1CC[C@H](CNC(=O)c2nc(-c3ccccc3)n3c2CCCCC3)O1	161269431	SSHPVUJHKRVSIP-WBVHZDCISA-N	382.464	2.039	70	50	GEIA	
COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)NCCc3ccccn3)CS[C@H]21	218555628	BDCAOMXGNWHFGB-VBKZILBWSA-N	399.472	2.028	70	50	GEIA	
COc1ccccc1-n1cc([C@@H](C)NC(=O)CN(C)C2CCN(C)CC2)cn1	218172794	BJRQUXCJNSBSPK-MRXNPFEDSA-N	385.512	2.084	70	50	GEIA	
COC(=O)C[C@@H](c1ccc(F)c(Cl)c1)c1c(O)c(C(=O)OC)c[nH]c1=O	218607296	SPMMZZHQAOVDRT-VIFPVBQESA-N	383.759	2.355	70	50	GEIA	
CC(=O)N1CC[C@H](NS(=O)(=O)c2c(Cl)cc(F)cc2Br)C1	161072935	OLERFNVKTNKBRB-VIFPVBQESA-N	399.669	2.141	70	50	GEIA	
Cc1cc(C)n(C[C@@H]2CCCO2)c(=O)c1C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1	218479674	MYMKDISZWBPOBO-SPEDKVCISA-N	388.508	2.411	70	50	GEIA	
COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1ccc2c(c1)OCC(=O)N2	218278626	CMDSHOJIZHYZEZ-CQSZACIVSA-N	398.371	2.275	70	50	GEIA	
CCOC(=O)c1cc(OS(=O)(=O)C(F)(F)F)nc2c1cnn2C(C)C	216236735	FVYDKSXKYBLGPR-UHFFFAOYSA-N	381.332	2.417	70	50	GEIA	
CCc1nc(C)sc1C(=O)N[C@@H]1COCC[C@H]1Oc1ccc(CO)cc1	218079460	YWRSSFPTVDYGGO-IAGOWNOFSA-N	376.478	2.473	70	50	GEIA	
O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)NCCn1ccc2ccc(F)cc21	217826208	UGIAEQIPAGULHI-KRWDZBQOSA-N	394.406	2.037	70	50	GEIA	biogenic
O=C(C[C@@H]1C=CS(=O)(=O)C1)N1CCCN(c2nc3ccccc3s2)CC1	217540003	YLWVHNMBMACRDN-AWEZNQCLSA-N	391.518	2.283	70	50	GEIA	
O=C(CCCn1ccnc1)N1CCn2nc([C@H](O)Cc3ccccc3)cc2C1	218282385	KRDOCIXAHLNSSO-HXUWFJFHSA-N	379.464	2.178	70	50	GEIA	
Cc1c(C(=O)N2CCNC(=O)C[C@H]2c2ccccc2)cnn1C1CCOCC1	161202653	BNILLDBKYYXQQW-IBGZPJMESA-N	382.464	2.246	70	50	GEIA	
CC1(CN2CCOCC2)CCN(Cc2ccc(OS(=O)(=O)F)cc2)CC1	1875387819	ZEXYHUNLFICADM-UHFFFAOYSA-N	386.489	2.214	70	50	GEIA	
Cc1cc(=O)c2ccccc2n1CC(=O)N[C@@H]1CCCN(Cc2cccnc2)C1	218678928	LUFBGBAWACVTOP-LJQANCHMSA-N	390.487	2.486	70	50	GEIA	
COc1ccc(N2C[C@@H](C(=O)NC[C@@H]3CCCN4CCCC[C@H]34)CC2=O)cc1	217700348	PRHPGKFXYSPMBS-ABSDTBQOSA-N	385.508	2.429	70	50	GEIA	
O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1n[nH]c(C2CCCCC2)n1	217852978	PZWZHVCOQMKYDP-HNNXBMFYSA-N	396.451	2.322	70	50	GEIA	biogenic
O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(Br)ccc1-n1cccc1	218463399	QYHILYSZMWHRLZ-GFCCVEGCSA-N	383.267	2.157	70	50	GEIA	
O=S(=O)(c1cccc2cnccc12)N1CCN(Cc2cccc(O)c2)CC1	160778314	NBAVRNMAVWPDRI-UHFFFAOYSA-N	383.473	2.447	70	50	GEIA	
CCOC(=O)c1nnc(NC(=O)Cc2c(C)nn(CC(F)(F)F)c2C)s1	160911120	KHVRCUWNQNNJNG-UHFFFAOYSA-N	391.375	2.272	70	50	GEIA	
CS(=O)(=O)Nc1cccc2c1ccn2CC(=O)NCCc1ccc(O)cc1	218256760	OTBCQRMCZIMMAD-UHFFFAOYSA-N	387.461	2.077	70	50	GEIA	
COc1ccc([C@@H](CC(N)=O)c2c(Cc3ccc4c(c3)CCO4)[nH][nH]c2=O)cc1	218565867	YEDHAPMRIYCBJT-QGZVFWFLSA-N	393.443	2.245	70	50	GEIA	
Cc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@H](c1cnn(C)c1)CC(=O)O2	217972881	CGRNPQJFMBCMNL-KRWDZBQOSA-N	379.416	2.280	70	50	GEIA	biogenic
CN(C)S(=O)(=O)N1C[C@H]2CC[C@@H](C1)N(Cc1c(F)cccc1Cl)C2	216970525	CYCVIZXUEYDKOZ-STQMWFEESA-N	375.897	2.182	70	50	GEIA	
COC(=O)c1ccc(CCC(=O)Nc2cncc(OS(=O)(=O)F)c2)cc1	1875387780	WYBYLBJWXUCLPV-UHFFFAOYSA-N	382.369	2.033	70	50	GEIA	
COC(=O)c1ccccc1Nc1c(NC[C@@H]2COc3ccccc3O2)c(=O)c1=O	218189166	DJUOYIOPXNVZEQ-GFCCVEGCSA-N	394.383	2.065	70	50	GEIA	
COc1ccc2c(ccn2CCNC(=O)Cn2cnc3ccsc3c2=O)c1	218233377	HKLWZEYEAZTWDH-UHFFFAOYSA-N	382.445	2.238	70	50	GEIA	
Cn1nc(-c2ccc(S(=O)(=O)F)cc2)s/c1=N\NC(=O)c1ccccc1	102313614	RHKQUDXMLWPWQT-MNDPQUGUSA-N	392.437	2.053	70	50	GEIA	
COc1ccc2[nH]cc(C(=O)NCc3ccc(-n4cncn4)cc3)c(=O)c2c1	218257058	OVXKIKHQKYWKFO-UHFFFAOYSA-N	375.388	2.047	70	50	GEIA	
Cn1nnc(-c2cccc(NC(=O)C3CCN(c4ccc(Cl)nn4)CC3)c2)n1	218295623	NWVJBJBDTFAJDG-UHFFFAOYSA-N	398.858	2.176	70	50	GEIA	
COc1cccc2c(O)c(C(=O)N3CCN(CCc4ccncc4)CC3)cnc12	218375182	AHNAQOZEQBZENV-UHFFFAOYSA-N	392.459	2.345	70	50	GEIA	
COc1ccc(N2C[C@H](C(=O)NC[C@@H]3CCCN4CCCC[C@H]34)CC2=O)cc1	217700262	PRHPGKFXYSPMBS-SQGPQFPESA-N	385.508	2.429	70	50	GEIA	biogenic
CC(C)[C@H](NC(=O)CCCNC(=O)c1cnccn1)c1nc2ccccc2[nH]1	218513763	KYWCTTWEWZHXCQ-SFHVURJKSA-N	380.452	2.376	70	50	GEIA	
COC(=O)C[C@@H](c1cccc(OC(F)F)c1)c1c(O)c(C(=O)OC)c[nH]c1=O	218498713	IVAQRCIWCKFTLQ-NSHDSACASA-N	397.330	2.164	70	50	GEIA	
Cc1ccc(NC(=O)C(=O)N2CCN(Cc3ccc(F)cc3Cl)CC2)cn1	160434929	AGRLYZVAKRKSFN-UHFFFAOYSA-N	390.846	2.465	70	50	GEIA	
COc1ccc(OC)c(-c2cc(C(=O)N[C@H](CO)Cc3ccccc3)[nH]n2)c1	218292649	KTVRXYWAGBZDRC-HNNXBMFYSA-N	381.432	2.427	70	50	GEIA	
O=S(=O)(F)Oc1ccc(CN2CCN(Cc3cccc(O)c3)CC2)cc1	1875387312	BJOKUPHBRUJGCN-UHFFFAOYSA-N	380.441	2.303	70	50	GEIA	
O=C(CC1(n2cccc2)CCOCC1)N1CCn2c(nnc2C(F)(F)F)C1	218234723	CTULPBYHLHXEJX-UHFFFAOYSA-N	383.374	2.037	70	50	GEIA	
CC[C@H](Cn1ccnc1)NC(=O)C1CCN(C(=O)c2cccc(OC)c2)CC1	218749225	HTHLNSFOJQBJIQ-GOSISDBHSA-N	384.480	2.339	70	50	GEIA	
COC(=O)C[C@H](c1c(O)cc(C)oc1=O)c1cc2cccc3c2n(c1=O)CC3	217940987	BRXZWHOSNBGRGY-AWEZNQCLSA-N	381.384	2.220	70	50	GEIA	biogenic
COc1ccccc1[C@H](CC(N)=O)c1c(Cc2ccc3c(c2)CCO3)[nH][nH]c1=O	218432463	QEBQDLGMCXSUBG-INIZCTEOSA-N	393.443	2.245	70	50	GEIA	
COc1ccc2c(c1OC)C(=O)N1[C@H]2SC[C@H]1C(=O)Nc1nccs1	218456940	CDTCKJPWQOCHSQ-VFZGTOFNSA-N	377.447	2.369	70	50	GEIA	
CN(C)C(=O)C[C@@H](O)c1cc2n(n1)CCN(Cc1c(F)cccc1Cl)C2	218641064	SBPUNEAEFWIQJP-QGZVFWFLSA-N	380.851	2.203	70	50	GEIA	
O=C(CCN1CCCCCC1=O)N[C@@H]1CCOC[C@H]1Oc1cccc(F)c1	218647368	MUYMHLVTAOZZJR-QZTJIDSGSA-N	378.444	2.271	70	50	GEIA	
COc1ccc2c(c1OC)C(=O)N1[C@@H](C(=O)NCCc3ccccn3)CS[C@H]21	218555469	BDCAOMXGNWHFGB-JLTOFOAXSA-N	399.472	2.028	70	50	GEIA	
COc1cc(Cl)cc2cc(C(=O)N[C@H]3[C@H]4CCO[C@H]4[C@@H]3NC(C)=O)oc12	218245725	VTBKVGFGLWJHEB-HVDRQEDPSA-N	378.812	2.117	70	50	GEIA	
Cc1c(C(=O)N2CCC[C@@H]2C(=O)Nc2nccs2)cnn1C1CCOCC1	161438831	PWKBTZKXNGBWLP-OAHLLOKOSA-N	389.481	2.243	70	50	GEIA	
COCCn1c(CCNC(=O)c2c[nH]c(=O)c3ccccc23)nc2ccccc21	218560705	YIZJXXMHYJEJFA-UHFFFAOYSA-N	390.443	2.497	70	50	GEIA	
CN(C)CCO[C@H]1CCOC[C@H]1NC(=O)Cc1ccc(Cl)c(Cl)c1	218095495	XFQCWTNYMYZGHT-CVEARBPZSA-N	375.296	2.388	70	50	GEIA	
COc1cccc2c1ccn2CCNC(=O)[C@H](Cc1ccccc1)n1cnnn1	218266653	BVIXTSABJMRFTI-IBGZPJMESA-N	390.447	2.237	70	50	GEIA	
COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1ccc2c(c1)NC(=O)CO2	218400179	ZIMRNKAELNFBCN-OAHLLOKOSA-N	398.371	2.275	70	50	GEIA	
COc1ccc(C(=O)CNC(=O)CCCc2nc3ccccc3c(=O)[nH]2)cc1	159991399	ZETAYQUEEZCWSC-UHFFFAOYSA-N	379.416	2.254	70	50	GEIA	biogenic
COc1ccc(Cc2nc(NC(=O)c3cc(-c4ccccn4)n[nH]3)n[nH]2)cc1	218453238	WMMJZNPJDHCTLF-UHFFFAOYSA-N	375.392	2.442	70	50	GEIA	
COc1ccc2c(ccn2CCNC(=O)COc2ccccc2-n2cnnc2)c1	218500821	SVNCRYVZTYVUDY-UHFFFAOYSA-N	391.431	2.426	70	50	GEIA	
Cc1cc(S(=O)(=O)NCC(=O)N2CCC[C@H]2c2ccccn2)ccc1F	217515347	SZALMHNFWMJUIL-KRWDZBQOSA-N	377.441	2.171	70	50	GEIA	
COc1cn(CC(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)c(C)cc1=O	218390929	KUKMDZRQWNLQJO-UHFFFAOYSA-N	390.867	2.329	70	50	GEIA	
COC(=O)C[C@@H](c1ccc2ncccc2c1)c1c(O)c(C(=O)OC)c[nH]c1=O	218458446	DTLNYNCJTZKHQG-ZDUSSCGKSA-N	382.372	2.110	70	50	GEIA	
Cc1cc2c(c(=O)o1)[C@@H](c1cc3cc4c(cc3[nH]c1=O)OCCO4)CC(=O)O2	218091833	QQEDNRKMZLYKPY-LLVKDONJSA-N	381.340	2.002	70	50	GEIA	biogenic
COc1ccc2c(ccn2CCNC(=O)COc2cccc(-n3cnnc3)c2)c1	218571239	JPKUJBSFUQZHDA-UHFFFAOYSA-N	391.431	2.426	70	50	GEIA