smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
COc1cc(OC)c(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2N2CCCC2)cc1OC	218280528	MQBSJHITFSEGMB-YJQAKTFBSA-N	376.453	1.694	70	50	GDIA	
O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)Nc1nnc[nH]1	217728825	WBRYIOQHSNJELY-QGZVFWFLSA-N	388.387	1.948	70	50	GDIA	biogenic
COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)NCc3cccn3C)CS[C@H]21	218486683	OOAQTPKRXFOVOC-ORAYPTAESA-N	387.461	1.929	70	50	GDIA	
O=C(NCCNS(=O)(=O)c1cccc(S(=O)(=O)F)c1)c1ccccc1	2325885100	NUYLFNNQGATADU-UHFFFAOYSA-N	386.426	1.053	70	50	GDIA	
CC(=O)N[C@@H]1CCCN(Cc2ccccc2OCCCN2CCOCC2)C1	217489592	QNAHKJKSBDLXFZ-HXUWFJFHSA-N	375.513	1.888	70	50	GDIA	
O=C(COc1coc(CN2CCOCC2)cc1=O)Nc1ccc2[nH]ccc2c1	218280183	XTDQBIJWJZCHOL-UHFFFAOYSA-N	383.404	1.971	70	50	GDIA	
CCOC(=O)Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1cc(Cl)c2c(c1)OCO2	218155618	YMVBOVNZJNYSOC-SECBINFHSA-N	395.799	1.198	70	50	GDIA	
CC1(C)C[C@H](n2[nH]c(=O)c3c2NC(=O)CS[C@H]3c2ccc[nH]c2=O)CCO1	218277370	KHKINERBVASELL-YGRLFVJLSA-N	390.465	1.770	70	50	GDIA	
Cn1nccc1[C@H]1SCC(=O)Nc2c1c(=O)[nH]n2[C@H]1CCOC(C)(C)C1	218307231	LUEVQLWKZTZJOA-IINYFYTJSA-N	377.470	1.815	70	50	GDIA	
O=C(Cn1cnc2ccsc2c1=O)Nc1n[nH]c(Cc2ccc(F)cc2)n1	218165839	UNOBTPUULGCQFC-UHFFFAOYSA-N	384.396	1.945	70	50	GDIA	
Cc1nn(C)c2ncc(S(=O)(=O)N(C)CC(C)(C)CN3CCOCC3)cc12	159462419	GNPAUUYQEJXRPF-UHFFFAOYSA-N	395.529	1.256	70	50	GDIA	
CC(=O)N[C@H]1CCCN(Cc2ccccc2OCCCN2CCOCC2)C1	217489681	QNAHKJKSBDLXFZ-FQEVSTJZSA-N	375.513	1.888	70	50	GDIA	
COc1ccc2c(c1OC)C(=O)N1[C@@H](C(=O)NCc3ccccn3)CS[C@@H]21	218502459	GBTYILZXKHNSEZ-YJYMSZOUSA-N	385.445	1.985	70	50	GDIA	
O=C(N[C@H](CO)c1ccccc1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1	218341455	FTYCTWOINGVFCU-DOTOQJQBSA-N	382.416	1.661	70	50	GDIA	
Cn1ccnc1[C@H](O)c1cc2n(n1)CCN(C(=O)c1ccc3c(c1)CCC3)C2	218034030	PMIPMOOILPLCBE-LJQANCHMSA-N	377.448	1.843	70	50	GDIA	
Cn1ccn2ncc(C(=O)N3CCn4nc([C@H](O)c5ccccc5)cc4C3)c12	218740915	UJLZXESMKQXKBT-GOSISDBHSA-N	376.420	1.607	70	50	GDIA	
O=C1[C@@H]2C[C@H](Br)[C@H](Br)C[C@@H]2N1S(=O)(=O)Cl	254412801	XPEZICCBZNFVFF-MOJAZDJTSA-N	381.473	1.618	70	50	GDIA	
COc1c(C)n(CC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)ccc1=O	218134331	NMCNWRJORGTEGL-UHFFFAOYSA-N	376.434	1.370	70	50	GDIA	
CSCC[C@@H](CO)NC(=O)CC[C@@H]1NC(=O)N(CCc2ccccc2)C1=O	217920876	OLISGIJEKAUUEN-HOTGVXAUSA-N	393.509	1.160	70	50	GDIA	biogenic
COC(=O)[C@@H]1C[C@@H](S(=O)(=O)F)CN1C(=O)CSc1ccc(Cl)cc1	2325887660	LJLCSUCNBQTYLK-NEPJUHHUSA-N	395.861	1.874	70	50	GDIA	
O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)NCCc1ccc(O)cc1	217630513	OAYHIEXTTSZYIJ-SFHVURJKSA-N	381.432	1.952	70	50	GDIA	biogenic
COc1ccc(CN2CCn3nc([C@@H](O)CO)cc3C2)cc1CN1CCCC1	218205393	ORLLSTFEOLMEFG-FQEVSTJZSA-N	386.496	1.529	70	50	GDIA	
N#Cc1cc(C(=O)c2ccccc2OS(=O)(=O)F)cn(-c2ccccn2)c1=O	1875374250	HDUFOUUEYLWYMX-UHFFFAOYSA-N	399.359	1.928	70	50	GDIA	
O=C1NCCN1c1ccc(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)cc1	460098217	WBJGWNZMMOWWDN-UHFFFAOYSA-N	399.425	1.675	70	50	GDIA	
COC[C@H]1[C@@H](NC(=O)Cc2cc(OC)c(OC)cc2C(C)=O)[C@@H]2CCO[C@@H]21	218455790	UIPBACNXALPQGP-RGGPIECMSA-N	377.437	1.615	70	50	GDIA	
Cc1ccc([C@@H](c2sc3ncnn3c2O)N2CCN(S(C)(=O)=O)CC2)o1	218535544	DGQKAVVQZUGWDK-LBPRGKRZSA-N	397.482	1.064	70	50	GDIA	
O=C(NCc1cccnc1)[C@H]1[C@H]2C=C[C@@]3(CN(CCc4ccccc4)C(=O)[C@H]13)O2	217700223	HFYDUXVAVHZSHY-NVJIOZQYSA-N	389.455	1.723	70	50	GDIA	
CN(C)[C@@H](C(=O)NCc1nnnn1-c1ccccc1)c1ccc2c(c1)OCO2	218599812	HWWZFEHVJVPRSJ-GOSISDBHSA-N	380.408	1.310	70	50	GDIA	
C[C@H](NC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O)c1nc2ccccc2[nH]1	218041376	MEBKTLLOZATATA-ZBEGNZNMSA-N	377.404	1.881	70	50	GDIA	biogenic
CCOC(=O)C[C@@H](C)NC(=O)[C@@H](Cc1c[nH]c2cc(F)ccc12)NC(C)=O	160687187	VNIYBEFLDUBHTK-PIGZYNQJSA-N	377.416	1.812	70	50	GDIA	
Cc1cc(C(=O)N2CCn3nc([C@@H](O)C4CC4)cc3C2)c2c(C)nn(C)c2n1	218179953	JFGYBRUTXZYWRK-SFHVURJKSA-N	380.452	1.881	70	50	GDIA	
NC(=O)c1cccc2c1CCCN2S(=O)(=O)c1cccc(S(=O)(=O)F)c1	460091806	LFTWVHAYKXVHNU-UHFFFAOYSA-N	398.437	1.585	70	50	GDIA	
O=C(C[C@@H]1NC(=O)N(Cc2ccccc2Cl)C1=O)NCCn1ccnc1	218558970	DHHHIYPKCRGBJT-AWEZNQCLSA-N	375.816	1.163	70	50	GDIA	
CCOC(=O)Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1cc(Cl)c2c(c1)OCO2	218155685	YMVBOVNZJNYSOC-VIFPVBQESA-N	395.799	1.198	70	50	GDIA	
C[C@@H](O)c1cc2n(n1)CCN(C(=O)Cc1cc3c(cc1Cl)OCCO3)C2	217073006	XMXKOYKOBBPKFI-LLVKDONJSA-N	377.828	1.946	70	50	GDIA	
Cn1nccc1[C@H](O)c1cc2n(n1)CCCN(Cc1ccc3c(c1)OCO3)C2	218285817	JDCTUOXCKZANSU-HXUWFJFHSA-N	381.436	1.833	70	50	GDIA	
O=C(C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)NCCc1ccc(O)cc1	217900511	VORDMALNOBFBEL-SFHVURJKSA-N	381.432	1.604	70	50	GDIA	biogenic
Cn1nnc(-c2ccc(OCC(=O)N3CCN(Cc4ccccc4)CC3)cc2)n1	218230035	OSURJMVGOMOYHI-UHFFFAOYSA-N	392.463	1.600	70	50	GDIA	
COc1cc2ncn(CC(=O)N[C@H](CO)Cc3ccccc3)c(=O)c2cc1OC	217785040	NULZKFVOHQAZNM-HNNXBMFYSA-N	397.431	1.134	70	50	GDIA	biogenic
NC(=O)c1ccc(NC(=O)CC[C@@H]2NC(=O)N(Cc3ccccc3)C2=O)cc1	217592851	AMOKLRAMAZIKAM-INIZCTEOSA-N	380.404	1.625	70	50	GDIA	biogenic
O=C(Cn1ccc(=O)c2ccccc21)NC[C@H]1CCCN(c2ncccn2)C1	218458997	ULZKRASKECDRBH-MRXNPFEDSA-N	377.448	1.824	70	50	GDIA	
COc1ccc2c(c1OC)C(=O)N1[C@H]2SC[C@H]1C(=O)NCC1CCOCC1	218061157	BZGYMBVHMRSPOC-DJJJIMSYSA-N	392.477	1.816	70	50	GDIA	biogenic
CCOC(=O)C[C@H](C)NC(=O)[C@H](Cc1c[nH]c2cc(F)ccc12)NC(C)=O	160687587	VNIYBEFLDUBHTK-GTNSWQLSSA-N	377.416	1.812	70	50	GDIA	
O=C(CN1C(=O)CC2(CCCC2)C1=O)NCCCCCc1nnc2ccccn12	218417948	NRSXBTKWPCVBOJ-UHFFFAOYSA-N	397.479	1.878	70	50	GDIA	
COc1ccccc1N1C[C@@H](C(=O)NCCSc2nncn2C)CC1=O	217647732	HZZLRXITPCVHQW-LBPRGKRZSA-N	375.454	1.085	70	50	GDIA	
O=C(CCOCCN1C(=O)C=CC1=O)Oc1c(F)c(F)c(F)c(F)c1F	110715836	ZKWVOGYIIBUFNC-UHFFFAOYSA-N	379.237	1.619	70	50	GDIA	
COc1cc(OC)cc([C@@H](c2sc3ncnn3c2O)N2CCOCC2)c1	218556065	VJJMKTGGTDXQNM-AWEZNQCLSA-N	376.438	1.935	70	50	GDIA	
COC(=O)C[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)c1c(O)cc(C)oc1=O	217962178	AKHRVPLICSLWBE-NSHDSACASA-N	399.355	1.919	70	50	GDIA	biogenic
O=S(=O)(c1ccccc1C(F)(F)F)N1CCCn2nc(CO)cc2C1	218031961	LPMLCEVHTZTTEC-UHFFFAOYSA-N	375.372	1.989	70	50	GDIA	
O=C(c1ccccn1)N1CCN(C(=O)c2cc(N3CCCC3=O)ccc2F)CC1	160019531	FSQLYBGQBLUDGV-UHFFFAOYSA-N	396.422	1.946	70	50	GDIA	
O=S(=O)(F)c1cccc(S(=O)(=O)N2CCC[C@H]([C@@H]3CCCNC3)C2)c1	2325891153	UIAPJYQYQCGDCN-KGLIPLIRSA-N	390.502	1.745	70	50	GDIA	
O=C(NCCn1c(=O)c(O)nc2ccccc21)c1cnc2ccccc2c1O	218472673	KUHIOMHPMRBGQJ-UHFFFAOYSA-N	376.372	1.786	70	50	GDIA	
Cn1c(CO)nnc1[C@@H]1CCCN(C(=O)C2(N3CCOCC3)CCCCC2)C1	217488429	SFPRKJCOESMRNC-MRXNPFEDSA-N	391.516	1.049	70	50	GDIA	
C[C@H](NC(=O)CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)c1nnc2ccccn12	218350833	PCEAKJLIMMMQEZ-JSGCOSHPSA-N	396.407	1.400	70	50	GDIA	
CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@@H]2c1ccc2c(c1)n(C)c(=O)n2C	218138808	SWWIFYLTBJTDBS-LLVKDONJSA-N	397.387	1.183	70	50	GDIA	
CCOC(=O)Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1ccc(C(F)(F)F)cc1	218389444	ZBOFBUVEEJIBHQ-NSHDSACASA-N	385.342	1.835	70	50	GDIA	
CCOC(=O)C[C@H](C)NC(=O)[C@@H](Cc1c[nH]c2cc(F)ccc12)NC(C)=O	160687323	VNIYBEFLDUBHTK-APPDUMDISA-N	377.416	1.812	70	50	GDIA	
COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NS(=O)(=O)c1cc(-c2ccno2)ccc1C	218745406	RUISAIJINLXUHF-JFTQMJAMSA-N	378.450	1.978	70	50	GDIA	
COc1cc(OC)cc([C@H](c2sc3ncnn3c2O)N2CCOCC2)c1	218556171	VJJMKTGGTDXQNM-CQSZACIVSA-N	376.438	1.935	70	50	GDIA	
N#CCCCS(=O)(=O)c1ccc(C(=O)N2CC[C@H](S(=O)(=O)F)C2)cc1	2325887681	PJQBFUSJBDAVNG-AWEZNQCLSA-N	388.442	1.278	70	50	GDIA	
COc1cc([C@H]2CC(=O)Oc3ccc(C(C)=O)c(O)c32)ccc1OCC(N)=O	217658901	WZZKXCYIVGDQFC-CYBMUJFWSA-N	385.372	1.909	70	50	GDIA	biogenic
Cc1cc(C)nc(N[C@H](Cc2ccccc2)C(=O)N[C@H]2CCS(=O)(=O)C2)n1	218409450	OGPNXISZCDTDSN-DLBZAZTESA-N	388.493	1.420	70	50	GDIA	
COC(=O)C[C@@H](c1ccc2nccnc2c1)c1c(O)c(C(=O)OC)c[nH]c1=O	218611904	LJPMWCTXRPOVAB-NSHDSACASA-N	383.360	1.505	70	50	GDIA	
C[C@@H](O)c1cc2n(n1)CCN(S(=O)(=O)c1ccc3c(c1)CCC(=O)N3)C2	217416902	PSWPMUVWOSIVLZ-LLVKDONJSA-N	376.438	1.026	70	50	GDIA	
CC[C@@H]1[C@H](NC(=O)c2cccc(N3CCS(=O)(=O)CC3)c2)[C@@H]2CCO[C@@H]21	218504358	XQMBEBFPCSCJFA-VSZNYVQBSA-N	378.494	1.465	70	50	GDIA	
C[C@H](O)c1cc2n(n1)CCN(C(=O)Cc1cc3c(cc1Cl)OCCO3)C2	217073032	XMXKOYKOBBPKFI-NSHDSACASA-N	377.828	1.946	70	50	GDIA	
COC(=O)c1cc(OCC2CCC2)cc(C(=O)N2CC[C@@H](CO)[C@@H](O)C2)c1	216849572	VMTZIKFDJUSKEI-KSSFIOAISA-N	377.437	1.467	70	50	GDIA	
Cc1cc(OCC(=O)N[C@H]2CCS(=O)(=O)C2)c2c(C)c(C)c(=O)oc2c1	218354823	RJGUYARSYSYCBP-ZDUSSCGKSA-N	379.434	1.400	70	50	GDIA	
CN(C)CCCNc1c(N2CCN(Cc3ccccc3Cl)CC2)c(=O)c1=O	218225151	FQGDUDHLJAGQDG-UHFFFAOYSA-N	390.915	1.622	70	50	GDIA	
Cn1cc([C@@H]2SCC(=O)Nc3c2c(=O)[nH]n3[C@@H]2CCOC(C)(C)C2)cn1	218312064	RTCICQWISQXXNU-RISCZKNCSA-N	377.470	1.815	70	50	GDIA	
CC1(C)C[C@H](n2[nH]c(=O)c3c2NC(=O)CS[C@@H]3c2ccc[nH]c2=O)CCO1	218277282	KHKINERBVASELL-QMTHXVAHSA-N	390.465	1.770	70	50	GDIA	
Cc1ccc(S(=O)(=O)CCC(=O)N2CCn3nc([C@@H](C)O)cc3C2)cc1	217102475	VHTPZODGAKLVDY-CQSZACIVSA-N	377.466	1.451	70	50	GDIA	
COC(=O)C[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)c1c(O)cc(C)oc1=O	217962254	AKHRVPLICSLWBE-LLVKDONJSA-N	399.355	1.919	70	50	GDIA	biogenic
O=C(CCOCCOCCOCCO)Oc1c(F)c(F)c(F)c(F)c1F	110715737	MDIKFXKPNIRFLO-UHFFFAOYSA-N	388.285	1.720	70	50	GDIA	
COc1ccc2cc([C@@H](CC(N)=O)c3oc(C)cc(=O)c3O)c(=O)n(C)c2c1	217630387	JQEYHEKLIMZMQJ-CYBMUJFWSA-N	384.388	1.522	70	50	GDIA	biogenic
COc1ccc([C@H](NS(=O)(=O)c2ccc3[nH]cnc3c2)C2CC(O)C2)cn1	218269181	JDDTVAJIEUABPC-KJBLDROHSA-N	388.449	1.757	70	50	GDIA	
CO[C@@H]1[C@H]2CC[C@@H]1CN(S(=O)(=O)c1cccc(C(=O)N3CCCC3)c1)C2	217200081	DASHCRJVIHDTRL-VQFNDLOPSA-N	378.494	1.968	70	50	GDIA	
Cc1ccc([C@H](c2sc3ncnn3c2O)N2CCN(S(C)(=O)=O)CC2)o1	218535629	DGQKAVVQZUGWDK-GFCCVEGCSA-N	397.482	1.064	70	50	GDIA	
Cn1c(CO)nnc1[C@H]1C[C@H](NC(=O)c2cnc(CN3CCCC3)s2)C1	218261971	MAOHKMBWLLSSNA-TXEJJXNPSA-N	376.486	1.036	70	50	GDIA	
O=c1cc(CN2CCOCC2)oc(CN2CCO[C@H](c3ccccc3)C2)c1O	218469003	BRCKWVUNURUIEH-IBGZPJMESA-N	386.448	1.751	70	50	GDIA	
C[C@H](CCC(=O)N1CCN(CCOc2ccccc2)CC1)N1CCOCC1	218344349	XTRSBXYSKFPXDV-LJQANCHMSA-N	375.513	1.711	70	50	GDIA	
Cc1cc(C)c2nonc2c1S(=O)(=O)N1CCn2nc([C@H](C)O)cc2C1	217434432	LACMBCBFBIRQCC-NSHDSACASA-N	377.426	1.294	70	50	GDIA	
CCN1CCC[C@@H]1CNC(=O)Cn1ccc2c(NS(C)(=O)=O)cccc21	218349103	WJXJFZOAKWUNDO-CQSZACIVSA-N	378.498	1.613	70	50	GDIA	
COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)NCc3ccccn3)CS[C@H]21	218502534	GBTYILZXKHNSEZ-ORAYPTAESA-N	385.445	1.985	70	50	GDIA	
COC(=O)[C@H](Cc1ccc(OS(=O)(=O)F)cc1)NC(=O)OC(C)(C)C	1875368414	PHTDQQROTSILSX-LBPRGKRZSA-N	377.390	1.889	70	50	GDIA	
Cc1ncsc1CCC(=O)N1CCCn2nc([C@@H](O)CN(C)C)cc2C1	218423830	DQCCOOIBVAJSDZ-INIZCTEOSA-N	377.514	1.608	70	50	GDIA	
Cc1nc(N(C)C)ncc1C(=O)N[C@@H]1CCOC[C@H]1OCc1cscn1	218690762	NTVSZXCQBYTBIP-HUUCEWRRSA-N	377.470	1.412	70	50	GDIA	
Cc1cc(C(=O)N2CCn3nc([C@H](O)C4CC4)cc3C2)c2c(C)nn(C)c2n1	218180032	JFGYBRUTXZYWRK-GOSISDBHSA-N	380.452	1.881	70	50	GDIA	
O=C1CCN(c2ccccc2C(=O)NC[C@@H]2COc3ccccc3O2)C(=O)N1	216949641	LUIOCYQVPMQLFN-CYBMUJFWSA-N	381.388	1.703	70	50	GDIA	
NC(=O)Cc1nc([C@@H]2Cc3ccccc3O2)n(Cc2ccc3c(c2)OCO3)n1	217510471	GWVFSJMXUNPDKR-KRWDZBQOSA-N	378.388	1.759	70	50	GDIA	
O=C(Cc1ccc2c(c1)OCO2)N[C@@H]1COCC[C@@H]1OCc1cscn1	218482414	FEIQRVIJVPWUDW-CABCVRRESA-N	376.434	1.905	70	50	GDIA	
Cc1cc(O)cc(=O)n1CCC(=O)NCCCCCc1nnc2ccccn12	218415669	DHXAMLKVMKETIP-UHFFFAOYSA-N	383.452	1.824	70	50	GDIA	
COc1ccc(C(=O)N2CCCn3nc([C@H](O)c4ccnn4C)cc3C2)cn1	218380375	GAXGQGNOYCQLGK-SFHVURJKSA-N	382.424	1.148	70	50	GDIA	
CS(=O)(=O)c1cc(Br)cc(C(=O)N2CCC[C@H]2CN)c1F	160290880	ODVHJPPHZAMNPO-VIFPVBQESA-N	379.251	1.555	70	50	GDIA	
CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@H]2c1ccc2c(c1)n(C)c(=O)n2C	218138876	SWWIFYLTBJTDBS-NSHDSACASA-N	397.387	1.183	70	50	GDIA	
CN1C(=O)N(C)C2(CCN(C(=O)CN3CC[C@H](c4ccccc4)C3)CC2)C1=O	217940983	KCFDPVYHGUCKIS-KRWDZBQOSA-N	384.480	1.361	70	50	GDIA	
O=C(N[C@H](CO)Cc1ccccc1)[C@H]1CC(=O)N(Cc2ccc3c(c2)OCO3)C1	217894295	MZEAUQNOALXOOU-ROUUACIJSA-N	396.443	1.484	70	50	GDIA	biogenic
NC(=O)C[C@@H](c1ccc(F)c(F)c1)c1oc(CN2CCOCC2)cc(=O)c1O	218609091	QAOMAWQEOAYQMN-ZDUSSCGKSA-N	394.374	1.463	70	50	GDIA	
COc1ccc(N2C[C@@H](C(=O)N[C@H](CO)CCSC)CC2=O)c(OC)c1	218352260	STVUFJSXFPFDHO-STQMWFEESA-N	382.482	1.287	70	50	GDIA	
COC(=O)C[C@@H](c1ccc(O)cc1)c1oc(CN2CCOCC2)cc(=O)c1O	217807349	SVSVYDXLDFQMGL-INIZCTEOSA-N	389.404	1.578	70	50	GDIA	biogenic
Cc1cc(C)n(-c2ccc(=O)n(CC(=O)NC[C@@H]3CCCN4CCCC[C@H]34)n2)n1	217777710	GOISJCOEMNUZKO-ZWKOTPCHSA-N	398.511	1.427	70	50	GDIA	biogenic
COc1ccc(CN2CCn3nc([C@H](O)CO)cc3C2)cc1CN1CCCC1	218205474	ORLLSTFEOLMEFG-HXUWFJFHSA-N	386.496	1.529	70	50	GDIA	
O=C1CCN(c2ccccc2C(=O)NC[C@H]2COc3ccccc3O2)C(=O)N1	216949658	LUIOCYQVPMQLFN-ZDUSSCGKSA-N	381.388	1.703	70	50	GDIA	
Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N[C@H]1CCOC2(CCCC2)C1	159983382	ADKJAQJOWMLDEX-HNNXBMFYSA-N	399.495	1.986	70	50	GDIA	
COCc1n[nH]c(-c2cccc(NC(=O)CN3C(=O)CC4(CCCC4)C3=O)c2)n1	218377309	MRMGLJULALQURF-UHFFFAOYSA-N	397.435	1.876	70	50	GDIA	
O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)Nc1nnc[nH]1	217728875	WBRYIOQHSNJELY-KRWDZBQOSA-N	388.387	1.948	70	50	GDIA	biogenic
COc1ccc(CN2C(=O)N[C@@H](CCC(=O)N[C@H](CO)C(C)C)C2=O)cc1	217733399	JRIDDBGLPCCNJF-JKSUJKDBSA-N	377.441	1.029	70	50	GDIA	biogenic
COc1ccc(-c2cc(C(=O)N[C@H](CO)CCSC)n(C)n2)cc1OC	218293447	SOJPSGODRVCFLR-ZDUSSCGKSA-N	379.482	1.948	70	50	GDIA	
COc1cc([C@@H]2CC(=O)Oc3ccc(C(C)=O)c(O)c32)ccc1OCC(N)=O	217658822	WZZKXCYIVGDQFC-ZDUSSCGKSA-N	385.372	1.909	70	50	GDIA	biogenic
COc1ccc(N2C(=O)N[C@@H](CCC(=O)NCCn3ccnc3C)C2=O)cc1	218603298	HOTIXZMWSHBNOR-INIZCTEOSA-N	385.424	1.222	70	50	GDIA	
CN(C)CCO[C@H]1CCOC[C@H]1NS(=O)(=O)Cc1cccc(Cl)c1	218022648	DRCNSKMTYALVSN-CVEARBPZSA-N	376.906	1.495	70	50	GDIA	
COCCn1nnc2ccc(NC(=O)Cc3ccc4c(c3)OCC4)cc2c1=O	218411640	PHKZSRYXNXEQFH-UHFFFAOYSA-N	380.404	1.554	70	50	GDIA	
C[C@H]1CN(C(=O)c2c[nH]c3cc(N4CCOCC4)c(F)cc3c2=O)CCN1C	216955894	QORUDNVZPULNHG-ZDUSSCGKSA-N	388.443	1.280	70	50	GDIA	
CCOC(=O)N1CCC(C(=O)Nc2cncc(OS(=O)(=O)F)c2)CC1	1875387716	UJQNQMAFTFILPZ-UHFFFAOYSA-N	375.378	1.482	70	50	GDIA	
CSCC[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1	218301566	IXFIHWRPDKBTRF-OLZOCXBDSA-N	380.466	1.041	70	50	GDIA	
O=C(CC[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)NCCc1ccc(O)cc1	217681048	VLXFVXXXHDTXSA-IBGZPJMESA-N	395.459	1.994	70	50	GDIA	biogenic
O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)N[C@H](CO)Cc1ccccc1	217915361	WFHUWNYKIFEIHU-OALUTQOASA-N	395.459	1.607	70	50	GDIA	biogenic
COc1ccc(CN2C(=O)N[C@@H](CC(=O)NCCc3ccc(O)cc3)C2=O)cc1	217814710	BUZPLKFGDRPCGW-SFHVURJKSA-N	397.431	1.570	70	50	GDIA	biogenic
O=C(CCn1ccc2c(cnc3ccnn32)c1=O)N[C@H](CO)c1ccccc1	218166630	NXKLLYZZDRSIGA-MRXNPFEDSA-N	377.404	1.284	70	50	GDIA	
CC(=O)N[C@H]1CN(S(=O)(=O)N2CCC(C)CC2)C[C@@H]1c1ccc(C)cc1	216785372	VQWLLZTURLUYJP-MOPGFXCFSA-N	379.526	1.876	70	50	GDIA	
C[C@@H]1CO[C@@H](C(F)(F)F)CN1S(=O)(=O)c1ccc(S(=O)(=O)F)cc1	1776007552	LAPLSWUPGZZOII-LDYMZIIASA-N	391.364	1.685	70	50	GDIA	
O=C(c1ccc(O)cc1)N1CCN(Cc2ccc(OS(=O)(=O)F)cc2)CC1	1875387837	ZVMIFBDCNJFYPX-UHFFFAOYSA-N	394.424	1.943	70	50	GDIA	
COCCN1C(=O)c2ccccc2[C@H](C(=O)N[C@@H](C)C(=O)OC)C12CCCC2	217915187	BAQVKEAKWVCCIM-WMLDXEAASA-N	388.464	1.863	70	50	GDIA	biogenic
COc1ccc(CCNC(=O)C[C@@H]2NC(=O)N(c3ccc(OC)cc3)C2=O)cc1	218520524	VFSMDYGHKOHUMJ-SFHVURJKSA-N	397.431	1.878	70	50	GDIA	
C[C@@H]1CO[C@H](C(F)(F)F)CN1S(=O)(=O)c1ccc(S(=O)(=O)F)cc1	1776007550	LAPLSWUPGZZOII-KCJUWKMLSA-N	391.364	1.685	70	50	GDIA	
CSCC[C@H](NC(=O)CCc1nnc(O)[nH]c1=O)c1nc2ccccc2[nH]1	218441952	GEZCOXVMNRVCBC-LBPRGKRZSA-N	388.453	1.290	70	50	GDIA	
O=C(Nc1ccnn1[C@H]1CCS(=O)(=O)C1)N1CCN(C2CCCC2)CC1	160781033	UMJYUIBBSYYDHM-HNNXBMFYSA-N	381.502	1.335	70	50	GDIA	
C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1cccc(S(=O)(=O)F)c1)C2=O	460098359	ZUKZYACIBMXSOV-APPDUMDISA-N	397.428	1.784	70	50	GDIA	
COc1ccc(CN2C(=O)N[C@@H](CCC(=O)NCCn3ccnc3C)C2=O)cc1	218267370	YYRVJOXHGWUCKN-KRWDZBQOSA-N	399.451	1.217	70	50	GDIA	
COC(=O)CC1CCN(C(=O)C[C@@H]2NC(=O)N(Cc3ccccc3)C2=O)CC1	218404128	FCBASOSLRUENOT-INIZCTEOSA-N	387.436	1.299	70	50	GDIA	
Cc1cc(C)nc(N[C@H](Cc2ccccc2)C(=O)N[C@@H]2CCS(=O)(=O)C2)n1	218409313	OGPNXISZCDTDSN-IAGOWNOFSA-N	388.493	1.420	70	50	GDIA	
Cn1cc([C@H]2SCC(=O)Nc3c2c(=O)[nH]n3[C@H]2CCOC(C)(C)C2)cn1	218312109	RTCICQWISQXXNU-SMDDNHRTSA-N	377.470	1.815	70	50	GDIA	
COCCn1c(C)cc(C)c(C(=O)NCCOc2ccc3c(c2)OCO3)c1=O	218528456	DFZBCOXFOMUONU-UHFFFAOYSA-N	388.420	1.649	70	50	GDIA	
O=S(=O)(F)c1csc(S(=O)(=O)N2C[C@@H](CO)Cc3ccccc32)c1	2325887342	HVVNFXKGWOLKOI-JTQLQIEISA-N	391.467	1.766	70	50	GDIA	
COC(=O)C[C@H](c1ccsc1)c1oc(CN2CCOCC2)cc(=O)c1O	218324799	PEOWYXUBLSBJCI-CQSZACIVSA-N	379.434	1.934	70	50	GDIA	
CC[C@@H](C)[C@@H](CO)NC(=O)CC[C@@H]1NC(=O)N(Cc2ccc(OC)cc2)C1=O	217922199	UKBCSSKOXZZQGX-XOKHGSTOSA-N	391.468	1.419	70	50	GDIA	biogenic
COc1cc2ncn(CC(=O)N[C@H](CO)c3ccccc3)c(=O)c2cc1OC	217817310	FWZXRVUTBBJLHT-MRXNPFEDSA-N	383.404	1.264	70	50	GDIA	biogenic
C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1cccc(S(=O)(=O)F)c1)C2=O	460098361	ZUKZYACIBMXSOV-GTNSWQLSSA-N	397.428	1.784	70	50	GDIA	
CC(C)Cc1nc(NC(=O)CC[C@@H]2NC(=O)N(Cc3ccccc3)C2=O)n[nH]1	218400084	ZPVUTGNJEVQHHF-AWEZNQCLSA-N	384.440	1.843	70	50	GDIA	
COC(=O)C[C@@H](c1ccsc1)c1oc(CN2CCOCC2)cc(=O)c1O	218324867	PEOWYXUBLSBJCI-AWEZNQCLSA-N	379.434	1.934	70	50	GDIA	
Cn1cc([C@@H]2SCC(=O)Nc3c2c(=O)[nH]n3[C@H]2CCOC(C)(C)C2)cn1	218312162	RTCICQWISQXXNU-FZMZJTMJSA-N	377.470	1.815	70	50	GDIA	
Cn1nccc1[C@H]1SCC(=O)Nc2c1c(=O)[nH]n2[C@@H]1CCOC(C)(C)C1	218307119	LUEVQLWKZTZJOA-QMTHXVAHSA-N	377.470	1.815	70	50	GDIA	
COC[C@@H]1[C@@H](NS(=O)(=O)c2ccc3nc(O)cc(C)c3c2)[C@@H]2CCO[C@@H]21	218589052	RHXLOQJXPQZRIV-YENGBRFLSA-N	378.450	1.577	70	50	GDIA	
Cc1cc(C)n(CC2CC2)c(=O)c1C(=O)N1CCN(S(=O)(=O)C(C)C)CC1	218568853	HAHUKHWOZPKARC-UHFFFAOYSA-N	395.525	1.371	70	50	GDIA	
COC(=O)C[C@H](c1ccc2c(c1)OCCO2)c1c(O)c(C(=O)OC)c[nH]c1=O	218019703	GZTGSCKDSDUNTC-LLVKDONJSA-N	389.360	1.333	70	50	GDIA	biogenic
CCOC(=O)Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1cccc(OC(F)F)c1	218390103	PHKDWPJUOBSDAX-LLVKDONJSA-N	383.351	1.417	70	50	GDIA	
COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1cccc(CC(N)=O)c1	218193450	WZILIBKOGATGII-HNNXBMFYSA-N	384.388	1.972	70	50	GDIA	
Cc1cc2c(SCC(=O)N[C@H]3[C@H]4CCO[C@H]4[C@@H]3N(C)C)ncnc2s1	218667631	WKFNJKWXNCMARU-AQNFWKISSA-N	378.523	1.926	70	50	GDIA	
Cn1ccnc1[C@@H](O)c1cc2n(n1)CCN(C(=O)c1ccc3c(c1)CCC3)C2	218033942	PMIPMOOILPLCBE-IBGZPJMESA-N	377.448	1.843	70	50	GDIA	
CSCC[C@@H](CO)NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1	218301623	IXFIHWRPDKBTRF-STQMWFEESA-N	380.466	1.041	70	50	GDIA	
Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@H](Cc1ccncc1)C1CC(O)C1	218661681	NNZIJGPJSSMJSO-RUXDESIVSA-N	384.889	1.437	70	50	GDIA	
O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1n[nH]c(C2CCCCC2)n1	217668723	YAZUYKINOCVCME-AWEZNQCLSA-N	382.424	1.932	70	50	GDIA	biogenic
COc1ccc(N2C(=O)N[C@@H](CC(=O)NCc3nc4ccccc4[nH]3)C2=O)cc1	218573466	PCMFYQAQHPWFOO-INIZCTEOSA-N	393.403	1.703	70	50	GDIA	
O=C(c1ccccc1O)N1CCN(Cc2ccc(OS(=O)(=O)F)cc2)CC1	1875387393	GAPDAYDPFPZHFT-UHFFFAOYSA-N	394.424	1.943	70	50	GDIA	
Cc1noc(CCNC(=O)C[C@@H]2NC(=O)N(c3cccc4ccccc34)C2=O)n1	218469925	UBLAQMGJLOGDJD-HNNXBMFYSA-N	393.403	1.705	70	50	GDIA	
COc1cc2c(cc1OC)-c1[nH]nc(C(=O)N[C@H](CO)CCSC)c1C2	218536884	MOLQRHZFWCAABG-NSHDSACASA-N	377.466	1.842	70	50	GDIA	
CC1(C)S[C@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)NCCN1CCOCC1	218601110	MJGYQPZDBGYDPL-QAPCUYQASA-N	375.494	1.483	70	50	GDIA	
COc1cccc(NC(=O)[C@H]2[C@H]3C=C[C@@]4(CN(c5cc(C)on5)C(=O)[C@H]24)O3)c1	217719437	NAYKDCQUZDMNFO-FKKBTLCVSA-N	381.388	1.917	70	50	GDIA	
CN(C)C(=O)C[C@@H](O)c1cc2n(n1)CCN(Cc1ccc3ccccc3n1)C2	218426191	AEUSOKISTCTFMC-HXUWFJFHSA-N	379.464	1.959	70	50	GDIA	
O=C(C[C@@H]1NC(=O)N(Cc2ccco2)C1=O)N1CCO[C@H](c2ccccc2)C1	218357690	UHZXXOZOYMWQQH-IRXDYDNUSA-N	383.404	1.690	70	50	GDIA	
C[C@H](O)c1cc2n(n1)CCCN(C(=O)CCS(=O)(=O)c1ccccc1)C2	217934499	DVILOMMLGJQDSI-AWEZNQCLSA-N	377.466	1.533	70	50	GDIA	
NC(=O)COc1ccc(Cl)cc1S(=O)(=O)NC[C@@H]1Cc2ccccc21	160980297	ZFBWHJCLDYVQFB-LBPRGKRZSA-N	380.853	1.822	70	50	GDIA	
C[C@@H](O)c1cc2n(n1)CCCN(C(=O)CCS(=O)(=O)c1ccccc1)C2	217934431	DVILOMMLGJQDSI-CQSZACIVSA-N	377.466	1.533	70	50	GDIA	
Cc1cc(=O)c(O)c([C@H](CC(N)=O)c2cc3cc4c(cc3[nH]c2=O)OCO4)o1	217691418	WLPYLIPMYFACNQ-SNVBAGLBSA-N	384.344	1.231	70	50	GDIA	biogenic
COC(=O)c1cc(OS(=O)(=O)F)ccc1N1C(=O)c2ccccc2C1=O	1875374353	LTGJVPATOBKGBM-UHFFFAOYSA-N	379.321	1.867	70	50	GDIA	
CS(=O)(=O)Nc1ccc(NC(=O)c2ccc(S(=O)(=O)F)cc2)cc1O	101017590	MJCBNKMEKMQSHW-UHFFFAOYSA-N	388.398	1.674	70	50	GDIA	
Cc1nc(C(=O)N[C@@H](CO)Cc2ccccc2)nn1-c1nnc(C(F)(F)F)[nH]1	159959727	MBZOHLQEYXIGNW-LLVKDONJSA-N	395.345	1.046	70	50	GDIA	
COCCn1c(C)cc(C)c(C(=O)Nc2ccc3ncn(C)c(=O)c3c2)c1=O	218468661	DJHIQIAJWRIDMG-UHFFFAOYSA-N	382.420	1.611	70	50	GDIA	
O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1CC(=O)N(Cc2ccc3c(c2)OCO3)C1	217894212	MZEAUQNOALXOOU-MSOLQXFVSA-N	396.443	1.484	70	50	GDIA	biogenic
COCc1cc(=O)c(O)c([C@@H](CC(N)=O)c2cc3cccc4c3n(c2=O)CC4)o1	217813676	ITNRWLQMNAYAMP-AWEZNQCLSA-N	396.399	1.370	70	50	GDIA	biogenic
COC(=O)C[C@@H](c1c(O)c(C(=O)OC)c[nH]c1=O)c1cccc2nccnc12	218522538	QWOQRNYKFZAYJY-LLVKDONJSA-N	383.360	1.505	70	50	GDIA	
COc1cccc(CN2CCN(c3cc(C4CC(O)C4)nc(C)n3)CC2=O)c1	218025853	UTRMMVYJFUBHPP-UHFFFAOYSA-N	382.464	1.881	70	50	GDIA	
CCN(C)c1ccnc(N2CCC[C@@H](c3nnc(Cn4ccnc4)n3C)C2)n1	217177998	FTANBJPZWRDCCJ-OAHLLOKOSA-N	381.488	1.690	70	50	GDIA	
COc1ccc(N2C(=O)N[C@@H](CC(=O)NCCn3nc(C)cc3C)C2=O)cc1	218520093	QNEAGVRSXSAANQ-INIZCTEOSA-N	385.424	1.140	70	50	GDIA	
CN1C(=O)N(C)C2(CCN(C(=O)CN3CC[C@@H](c4ccccc4)C3)CC2)C1=O	217940896	KCFDPVYHGUCKIS-QGZVFWFLSA-N	384.480	1.361	70	50	GDIA	
C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1cccc(S(=O)(=O)F)c1)C2=O	460098364	ZUKZYACIBMXSOV-PIGZYNQJSA-N	397.428	1.784	70	50	GDIA	
O=C(C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)N[C@H](CO)Cc1ccccc1	217870099	CROKULRAQZCUKQ-OALUTQOASA-N	395.459	1.259	70	50	GDIA	biogenic
CO[C@@H]1CCOC[C@H]1NC(=O)c1cc(CN)cc(NC(=O)c2ccccn2)c1	218174371	RCIRFCKHHKUHCZ-QZTJIDSGSA-N	384.436	1.326	70	50	GDIA	
COc1ccc(CCN2C(=O)N[C@@H](CC(=O)Nc3ccccn3)C2=O)cc1OC	218275528	BZKGWMGNNNPTTE-AWEZNQCLSA-N	398.419	1.591	70	50	GDIA	
Cc1ccc(C)c(-n2ncc(NC(=O)N3CC[C@@H](NS(C)(=O)=O)C3)c2C)c1	160725871	YMOUFCLDMOJXNS-OAHLLOKOSA-N	391.497	1.953	70	50	GDIA	
Cc1cc(C(=O)NC2CCN(Cc3ccc(OS(=O)(=O)F)cc3)CC2)no1	1875387665	RMCFUQOCTSSVGQ-UHFFFAOYSA-N	397.428	1.971	70	50	GDIA	
COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)N3CCCC3)C2=O)cc1OC	217888056	LSDVDWWYBZWIGD-HNNXBMFYSA-N	389.452	1.569	70	50	GDIA	biogenic
COC(=O)[C@@H](Cc1ccccc1)NC(=O)CCn1cnc2ccccc2c1=O	216853916	GEEKAMKQPXKCAU-GOSISDBHSA-N	379.416	1.687	70	50	GDIA	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC(=O)OC3(C)C)CC2)cc1	218519254	XSLJEPBJJUKCTE-HNNXBMFYSA-N	380.466	1.170	70	50	GDIA	
Cc1cc(=O)c(O)c([C@@H](CC(N)=O)c2cc3cc4c(cc3[nH]c2=O)OCO4)o1	217691499	WLPYLIPMYFACNQ-JTQLQIEISA-N	384.344	1.231	70	50	GDIA	biogenic
C[C@@H](CCC(=O)N1CCN(CCOc2ccccc2)CC1)N1CCOCC1	218344271	XTRSBXYSKFPXDV-IBGZPJMESA-N	375.513	1.711	70	50	GDIA	
COc1ccccc1-c1nc(NC(=O)Cn2cnc3ccsc3c2=O)n[nH]1	218323476	RFLCTPRVFWHOFR-UHFFFAOYSA-N	382.405	1.890	70	50	GDIA	
Cc1ccc(C)c(-n2ncc(NC(=O)N3CC[C@H](NS(C)(=O)=O)C3)c2C)c1	160725749	YMOUFCLDMOJXNS-HNNXBMFYSA-N	391.497	1.953	70	50	GDIA	
CC(=O)N1CCN(C(=O)[C@@H](Cc2ccccc2)Nc2nc(C)cc(C)n2)CC1	218234214	JTWUCTPVQBAHPG-LJQANCHMSA-N	381.480	1.807	70	50	GDIA	
O=C(Cc1cc2c(cc1Cl)OCCO2)N1CCCn2nc(CO)cc2C1	217153060	XYMHNHQZGSNAQK-UHFFFAOYSA-N	377.828	1.775	70	50	GDIA	
CC1(C)CN(C(=O)[C@H]2CCCCN2C(=O)c2cccs2)CCS1(=O)=O	159925957	YJTKYUSOUDMICW-CYBMUJFWSA-N	384.523	1.778	70	50	GDIA	
O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1	218407586	KWELZAGWOVTGIB-SJORKVTESA-N	396.443	1.531	70	50	GDIA	
Cc1cc2c(c(=O)[nH]1)[C@H](c1cc3cc4c(cc3[nH]c1=O)OCCO4)CC(=O)O2	217765997	BVTCTGKVYSISSQ-NSHDSACASA-N	380.356	1.737	70	50	GDIA	biogenic
COc1ccccc1CN1C(=O)N[C@@H](CC(=O)NCCc2ccc(O)cc2)C1=O	218301387	CLLWWABTKPESJZ-KRWDZBQOSA-N	397.431	1.570	70	50	GDIA	
O=C(C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)NCc1ccccn1	217833593	WSNFSDYQQZBOKD-SFHVURJKSA-N	391.431	1.732	70	50	GDIA	biogenic
CC(C)C[C@@H](CO)NC(=O)c1cc2c(cc1Br)n(C)c(=O)n2C	160683444	HGSMVPFJAUAZPK-JTQLQIEISA-N	384.274	1.776	70	50	GDIA	
Cc1cc(O)n2nc(CC(=O)NCc3c[nH]nc3-c3ccc(F)cc3)nc2n1	217401747	NENJRHNIMLUSLL-UHFFFAOYSA-N	381.371	1.526	70	50	GDIA	
COc1ccccc1N1C[C@H](C(=O)NCCSc2nncn2C)CC1=O	217647819	HZZLRXITPCVHQW-GFCCVEGCSA-N	375.454	1.085	70	50	GDIA	
CN1C(=O)N(C(C)(C)C)[C@@H]2O[C@H]([C@@H]3O[C@@H]4[C@@H](O3)N(C(C)(C)C)C(=O)N4C)O[C@@H]21	217579839	MJSSPZRFJYPVJP-KLVXDSBYSA-N	398.460	1.368	70	50	GDIA	
C[C@H](O)c1cc2n(n1)CCCN(Cc1cc(Cl)ccc1OCC(N)=O)C2	217664950	GXZQTLMFLZDBEF-LBPRGKRZSA-N	378.860	1.860	70	50	GDIA	
CCOC(=O)Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1cccc(OC(F)F)c1	218390165	PHKDWPJUOBSDAX-NSHDSACASA-N	383.351	1.417	70	50	GDIA	
Cc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CCS(=O)(=O)C2)n1	218409223	OGPNXISZCDTDSN-SJORKVTESA-N	388.493	1.420	70	50	GDIA	
CSCC[C@H](NC(=O)CNC(=O)c1cnccn1)c1nc2ccccc2[nH]1	218282044	GTDRZPKEQZGOFR-AWEZNQCLSA-N	384.465	1.693	70	50	GDIA	
COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1cccc(-n2cnnn2)c1	218395300	RYBOCLADIKEHGH-OAHLLOKOSA-N	395.375	1.920	70	50	GDIA	
C[C@@H]1CN(C(=O)c2c[nH]c3cc(N4CCOCC4)c(F)cc3c2=O)CCN1C	216955875	QORUDNVZPULNHG-CYBMUJFWSA-N	388.443	1.280	70	50	GDIA	
COc1cccc(OCCN2CCN(C(=O)c3cnc4c(c3)ncn4C)CC2)c1	160869486	CHDXWQYKRIMHGE-UHFFFAOYSA-N	395.463	1.814	70	50	GDIA	
COCCn1cnc2ccc(NC(=O)[C@H]3CC(=O)N(CC(C)C)C3)cc2c1=O	218289629	BYHNLAUVVCBOLC-AWEZNQCLSA-N	386.452	1.486	70	50	GDIA	
O=C(N[C@@H]1CCOC[C@H]1OCCO)c1ccc(CN2CCCCCC2)cc1	218743546	BYYLGBBTXGOSLA-WOJBJXKFSA-N	376.497	1.959	70	50	GDIA	
COC(=O)[C@H]1C[C@@H](S(=O)(=O)F)CN1C(=O)CSc1ccc(Cl)cc1	2325887663	LJLCSUCNBQTYLK-VXGBXAGGSA-N	395.861	1.874	70	50	GDIA	
COc1cc2c(cc1OC)CC(=O)N(CC(=O)N[C@H](CO)c1ccccc1)C=C2	217597615	ANEROFBYWOVPCA-GOSISDBHSA-N	396.443	1.909	70	50	GDIA	biogenic
O=C1[C@@H]2C[C@H](Br)[C@@H](Br)C[C@@H]2N1S(=O)(=O)Cl	216343675	XPEZICCBZNFVFF-VANKVMQKSA-N	381.473	1.618	70	50	GDIA	
CC1(C)S[C@H]2c3ccccc3C(=O)N2[C@H]1C(=O)NCCN1CCOCC1	218600970	MJGYQPZDBGYDPL-YJBOKZPZSA-N	375.494	1.483	70	50	GDIA	
CC1(C)CN(C(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)CCS1(=O)=O	159995937	BJSSWJRCBQHVJB-MRXNPFEDSA-N	378.494	1.256	70	50	GDIA	
C[C@H](O)c1cc2n(n1)CCN(S(=O)(=O)c1ccc3c(c1)CCC(=O)N3)C2	217416976	PSWPMUVWOSIVLZ-NSHDSACASA-N	376.438	1.026	70	50	GDIA	
COc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(CN(c5cc(C)on5)C(=O)[C@H]24)O3)cc1	217713617	XSYIJDVXPUMPMA-PYQAKABTSA-N	381.388	1.917	70	50	GDIA	
CN(C)C[C@H](O)c1cc2n(n1)CCCN(C(=O)COc1ccc(F)cc1)C2	218616597	GUWZYSYHQXNGFP-SFHVURJKSA-N	376.432	1.429	70	50	GDIA	
C[C@@H](O)c1cc2n(n1)CCCN(Cc1cc(Cl)ccc1OCC(N)=O)C2	217664865	GXZQTLMFLZDBEF-GFCCVEGCSA-N	378.860	1.860	70	50	GDIA	
CC(=O)Nc1ccc(O)c(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1	101017461	YMTAMEDFWGNUFY-UHFFFAOYSA-N	388.398	1.810	70	50	GDIA	
Cc1sc2ncn(CC(=O)Nc3cccc(-c4nnn(C)n4)c3)c(=O)c2c1C	218181115	LNZJRUNPFPOSPY-UHFFFAOYSA-N	395.448	1.904	70	50	GDIA	
CCOC(=O)Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1ccc(C(F)(F)F)cc1	218389364	ZBOFBUVEEJIBHQ-LLVKDONJSA-N	385.342	1.835	70	50	GDIA	
C[C@@H](O)c1cc2n(n1)CCN(C(=O)c1c(Cl)c(C(F)(F)F)nn1C)C2	217869573	RFKCXCKAIHDPEX-SSDOTTSWSA-N	377.754	1.998	70	50	GDIA	
COc1ccc(CCc2nc(NC(=O)Cn3cc(OC)c(=O)cc3C)n[nH]2)cc1	218367523	KMLOIPXHNNIJJT-UHFFFAOYSA-N	397.435	1.716	70	50	GDIA	
O=C(NCC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cccnc1	159890058	SMAAXHYUZVKZPU-UHFFFAOYSA-N	379.420	1.318	70	50	GDIA	
COCc1nnc(NC(=O)c2c(C)cc(C)n(C[C@@H]3CCCO3)c2=O)s1	218485648	UVHSHSCIUOUETB-LBPRGKRZSA-N	378.454	1.894	70	50	GDIA	
O=C(c1cc(-n2cnnn2)ccc1O)N1CCCN(Cc2cccnc2)CC1	217395080	UHZMVHGCBBGZSW-UHFFFAOYSA-N	379.424	1.111	70	50	GDIA	
O=C(NCCCCCc1nnc2ccccn12)c1ccccc1-n1cnnn1	218528040	AYARDVRBGQJYPP-UHFFFAOYSA-N	376.424	1.848	70	50	GDIA	
CC(C)c1noc(CCCNC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)n1	217610701	HQWPEQYXVJKWGL-AWEZNQCLSA-N	385.424	1.383	70	50	GDIA	biogenic
CC(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)Nc2nc(C)cc(C)n2)CC1	218234153	JTWUCTPVQBAHPG-IBGZPJMESA-N	381.480	1.807	70	50	GDIA	
O=C(C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)N[C@H](CO)c1ccccc1	217825924	QDQUALNMCJLEPR-ZWKOTPCHSA-N	381.432	1.389	70	50	GDIA	biogenic
Cn1cc([C@H]2SCC(=O)Nc3c2c(=O)[nH]n3[C@@H]2CCOC(C)(C)C2)cn1	218312009	RTCICQWISQXXNU-BXUZGUMPSA-N	377.470	1.815	70	50	GDIA	
Cn1nccc1[C@@H]1SCC(=O)Nc2c1c(=O)[nH]n2[C@H]1CCOC(C)(C)C1	218307281	LUEVQLWKZTZJOA-HZMBPMFUSA-N	377.470	1.815	70	50	GDIA	
CCc1cnc(C)nc1N1CCn2nc(CN3CCC[C@@H](C(N)=O)C3)cc2C1	216714510	BRAHRTUUCXCMJY-MRXNPFEDSA-N	383.500	1.261	70	50	GDIA	
Cc1ccc(S(=O)(=O)CCC(=O)N2CCn3nc([C@H](C)O)cc3C2)cc1	217102489	VHTPZODGAKLVDY-AWEZNQCLSA-N	377.466	1.451	70	50	GDIA	
O=C(c1cccc(O)c1)N1CCN(Cc2ccc(OS(=O)(=O)F)cc2)CC1	1875387526	LZTFXPYIXITQJZ-UHFFFAOYSA-N	394.424	1.943	70	50	GDIA	
COc1c2c(c(S(=O)(=O)NC3CCCC3)c3c1C(=O)N(C)CC3)OCO2	218091945	TXADGHSPWPGEQM-UHFFFAOYSA-N	382.438	1.273	70	50	GDIA	biogenic
O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)N[C@H](CO)c1ccccc1	217909936	QAAFOKYHJRJHFQ-ZWKOTPCHSA-N	381.432	1.737	70	50	GDIA	biogenic
COc1ccc(N2C[C@H](C(=O)N[C@H](CO)CCSC)CC2=O)c(OC)c1	218352190	STVUFJSXFPFDHO-OLZOCXBDSA-N	382.482	1.287	70	50	GDIA	
O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1ccc(-c2nc[nH]n2)cc1	218106714	LEFYJRLJNNBNHW-HNNXBMFYSA-N	376.376	1.551	70	50	GDIA	biogenic
COC(=O)C[C@H](c1c(O)c(C(=O)OC)c[nH]c1=O)c1cccc2nccnc12	218522461	QWOQRNYKFZAYJY-NSHDSACASA-N	383.360	1.505	70	50	GDIA	
O=c1c(NCc2cccc(Cl)c2)c(N2CCN(c3ncccn3)CC2)c1=O	218145337	BYPFVNZQGJKRAS-UHFFFAOYSA-N	383.839	1.665	70	50	GDIA	
COC(=O)[C@H](CC(C)C)NC(=O)CC[C@H]1NC(=O)c2ccccc2NC1=O	217889982	BQGDWDSGBWXPKC-CABCVRRESA-N	375.425	1.221	70	50	GDIA	biogenic
CCN1CCC[C@H]1CNC(=O)Cn1ccc2c(NS(C)(=O)=O)cccc21	218349183	WJXJFZOAKWUNDO-AWEZNQCLSA-N	378.498	1.613	70	50	GDIA	
Cc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)NCCN2CCOCC2)n1	218125236	RWOMETWJLBVGQO-IBGZPJMESA-N	383.496	1.565	70	50	GDIA	
Cc1cc(C)c(CN2CCn3nc([C@H](O)CS(C)(=O)=O)cc3C2)cc1C	218442338	IKJYVVKSOFGBCJ-LJQANCHMSA-N	377.510	1.902	70	50	GDIA	
O=C(C[C@H]1Oc2ccccc2NC1=O)NCCc1nc(-c2ccccn2)no1	218163350	XBNGNGWEPIFMKC-OAHLLOKOSA-N	379.376	1.580	70	50	GDIA	
COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)N[C@H](CO)C(C)C)C2=O)cc1	217597404	IVWUDQMAUFQVFO-DLBZAZTESA-N	391.468	1.071	70	50	GDIA	biogenic
COc1c2c(c(S(=O)(=O)NCc3ccco3)c3c1C(=O)N(C)CC3)OCO2	217968741	KGKVSQJGAFFWHI-UHFFFAOYSA-N	394.405	1.124	70	50	GDIA	biogenic
O=C(N[C@H](CO)Cc1ccccc1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1	218407666	KWELZAGWOVTGIB-IRXDYDNUSA-N	396.443	1.531	70	50	GDIA	
N#CCCCS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](S(=O)(=O)F)C2)cc1	2325887682	PJQBFUSJBDAVNG-CQSZACIVSA-N	388.442	1.278	70	50	GDIA	
COCCn1c(C)cc(C)c(C(=O)N2CCN(C(=O)c3ccco3)CC2)c1=O	218443671	YSOPOMLNEWQOAL-UHFFFAOYSA-N	387.436	1.303	70	50	GDIA	
COCCn1c(CNC(=O)C2(n3cnnn3)CCCCC2)nc2ccccc21	218157470	ZHYNWMKEIVVETA-UHFFFAOYSA-N	383.456	1.645	70	50	GDIA	
Cc1cc(OCC(=O)N[C@@H]2CCS(=O)(=O)C2)c2c(C)c(C)c(=O)oc2c1	218354733	RJGUYARSYSYCBP-CYBMUJFWSA-N	379.434	1.400	70	50	GDIA	
O=C(CCCS(=O)(=O)N1CCCC1)Nc1ccc(OS(=O)(=O)F)cc1	1875385586	WUXIAXNTWSWXBP-UHFFFAOYSA-N	394.446	1.424	70	50	GDIA	
O=C(C[C@@H]1Oc2ccccc2NC1=O)NCCc1nc(-c2ccccn2)no1	218163283	XBNGNGWEPIFMKC-HNNXBMFYSA-N	379.376	1.580	70	50	GDIA	
COC(=O)C[C@@H](c1ccc(OC)c(OC)c1)c1c(O)c(C(=O)OC)c[nH]c1=O	218063941	BATQUXHPMOXNTC-NSHDSACASA-N	391.376	1.579	70	50	GDIA	biogenic
COCc1nnc(NC(=O)C[C@@H]2NC(=O)N(Cc3cccc(F)c3)C2=O)s1	218152018	NTCGNKMWPBJMNU-NSHDSACASA-N	393.400	1.273	70	50	GDIA	
COCc1nn2c(=O)cc(CSCC(=O)Nc3cccnc3)nc2s1	218605355	YDFUGHPCNSFSIB-UHFFFAOYSA-N	377.451	1.564	70	50	GDIA	
COc1cc(C)c(S(=O)(=O)N2CCCn3nc(CO)cc3C2)c(C)c1C	217059765	BDBATLPFYFFBOD-UHFFFAOYSA-N	379.482	1.904	70	50	GDIA	
CCn1ncc(S(=O)(=O)N[C@@H]2CCOC[C@H]2Oc2cccc(F)c2)c1C	218765577	ULAIGDAFUPFYKJ-HZPDHXFCSA-N	383.445	1.865	70	50	GDIA	
Cn1nc(C(F)(F)F)c(Cl)c1C(=O)N1CCCn2nc(CO)cc2C1	216909248	UWTWEQCZSGOKEQ-UHFFFAOYSA-N	377.754	1.827	70	50	GDIA	
CC(C)c1nc(NC(=O)CC[C@@H]2NC(=O)N(CCc3ccccc3)C2=O)n[nH]1	218251616	LECVAGZSMVLQIW-AWEZNQCLSA-N	384.440	1.810	70	50	GDIA	
Cc1c(OCC(=O)N[C@H]2CCS(=O)(=O)C2)ccc2c3c(c(=O)oc12)CCC3	218246923	JYJIQUVHEZFYEB-LBPRGKRZSA-N	391.445	1.272	70	50	GDIA	
COc1cc(N2C(=O)N[C@@H](CC(=O)NCCC(C)C)C2=O)cc(OC)c1OC	217986132	BAXFVIRLCDUAGA-ZDUSSCGKSA-N	393.440	1.690	70	50	GDIA	biogenic
O=C(c1cccs1)N1CCC(N2CCn3nc([C@@H](O)CO)cc3C2)CC1	217905707	SZOMDHDHQIBUJW-INIZCTEOSA-N	376.482	1.091	70	50	GDIA	
O=C(C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)NC[C@@H]1CCCN2CCCC[C@H]12	217847049	CHMOFTQDVVEPCK-GBESFXJTSA-N	398.507	1.878	70	50	GDIA	biogenic
COc1ccc([C@@H](NS(=O)(=O)c2ccc3[nH]cnc3c2)C2CC(O)C2)cn1	218269125	JDDTVAJIEUABPC-PWGQDJSOSA-N	388.449	1.757	70	50	GDIA	
COc1c(C)n(CC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)ccc1=O	218177125	URDWSRWCLZQRGB-INIZCTEOSA-N	390.461	1.386	70	50	GDIA	
COc1ccc(-c2nnc3sc([C@H]4CCS(=O)(=O)C4)nn23)cc1OC	218136948	BZZSPZLUZSNQSP-JTQLQIEISA-N	380.451	1.772	70	50	GDIA	
COc1ccccc1N1CC[C@H](NC(=O)c2cnc3c(c2)c(C)nn3C)C1=O	161263097	YDEBFFPHHJZBSE-HNNXBMFYSA-N	379.420	1.821	70	50	GDIA	
C[C@H](NC(=O)C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)c1nnc2ccccn12	217617968	NTYWDHIGBUDCIA-ZFWWWQNUSA-N	392.419	1.417	70	50	GDIA	biogenic
COc1ccc(CCN2C[C@@H](C(=O)N[C@H](CO)C(C)C)CC2=O)cc1OC	217872231	SNBMZXKGENPMFB-JKSUJKDBSA-N	378.469	1.228	70	50	GDIA	biogenic
Cc1cccc(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3CC(=O)N(C)C)c1Cl	216865863	NVGZBWDAFNRQJL-KGLIPLIRSA-N	377.872	1.800	70	50	GDIA	
CC1(C)C[C@@H](n2[nH]c(=O)c3c2NC(=O)CS[C@H]3c2ccc[nH]c2=O)CCO1	218277464	KHKINERBVASELL-HZMBPMFUSA-N	390.465	1.770	70	50	GDIA	
C[C@H]1CO[C@H](C(F)(F)F)CN1S(=O)(=O)c1ccc(S(=O)(=O)F)cc1	1776007551	LAPLSWUPGZZOII-KWQFWETISA-N	391.364	1.685	70	50	GDIA	
CCOC(=O)N1CCN(C(=O)c2c(C)cc(C)n(C[C@H]3CCCO3)c2=O)CC1	218531044	ONBGUKLDOCACNK-MRXNPFEDSA-N	391.468	1.558	70	50	GDIA	
COc1ccc(-c2nnc3sc([C@@H]4CCS(=O)(=O)C4)nn23)cc1OC	218136872	BZZSPZLUZSNQSP-SNVBAGLBSA-N	380.451	1.772	70	50	GDIA	
C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1cccc(S(=O)(=O)F)c1)C2=O	460098360	ZUKZYACIBMXSOV-DIFFPNOSSA-N	397.428	1.784	70	50	GDIA	
O=C(Nc1cncc(OS(=O)(=O)F)c1)[C@@H]1CC(=O)N(c2ccccc2F)C1	1875387690	SYGLWTVFVQCBFO-SNVBAGLBSA-N	397.359	1.805	70	50	GDIA	
COc1ccc2nnc(CCCC(=O)NC[C@@H]3CCCN4CCCC[C@H]34)n2n1	217757618	GLKCSNQQVHVVRC-JKSUJKDBSA-N	386.500	1.836	70	50	GDIA	biogenic
OC[C@H](O)c1cc2n(n1)CCCN(Cc1cc(CN3CCCC3)cs1)C2	217008312	CWRRKKTWKXWWNT-IBGZPJMESA-N	376.526	1.972	70	50	GDIA	
COCc1nc(C2CC(N)C2)cc(N2CCC(CN3CCN(C)CC3)CC2)n1	218401331	DATYVCNTIJUYJX-UHFFFAOYSA-N	388.560	1.292	70	50	GDIA	
NC(=O)Cc1nc([C@H]2Cc3ccccc3O2)n(Cc2ccc3c(c2)OCO3)n1	217510564	GWVFSJMXUNPDKR-QGZVFWFLSA-N	378.388	1.759	70	50	GDIA	
O=C(C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)NCCc1ccco1	218295428	DPQNKHOTWRHWEY-SFHVURJKSA-N	394.431	1.973	70	50	GDIA	
O=C(C[C@@H]1NC(=O)N(c2cccc3ccccc23)C1=O)NCCN1CCOCC1	218563128	CGILFCPKGYOFCZ-KRWDZBQOSA-N	396.447	1.103	70	50	GDIA	
Cc1cc(C)c2nonc2c1S(=O)(=O)N1CCn2nc([C@@H](C)O)cc2C1	217434345	LACMBCBFBIRQCC-LLVKDONJSA-N	377.426	1.294	70	50	GDIA	
COc1c(Cl)cc(Cl)cc1C(=O)N[C@@H]1COCC[C@@H]1OCC(N)=O	218417238	KMTDEHJOWYBNTD-NEPJUHHUSA-N	377.224	1.391	70	50	GDIA	
O=C(Cn1cnc2ccsc2c1=O)N1CCN(CCc2ccncc2)CC1	218216553	HBRHGDVSAVFVFE-UHFFFAOYSA-N	383.477	1.240	70	50	GDIA	
COCc1nc(C2CC(N)C2)cc(N2CCN(C(=O)c3ccccc3)CC2)n1	218691227	AMRNHVLMDJNPTM-UHFFFAOYSA-N	381.480	1.790	70	50	GDIA	
CC1=NN(c2ccccc2)C(=O)C1(CCS(=O)(=O)F)CCS(=O)(=O)F	97994459	NKNMJZMXMKUKCH-UHFFFAOYSA-N	394.421	1.774	70	50	GDIA	
O=C(c1cccs1)N1CCC(N2CCn3nc([C@H](O)CO)cc3C2)CC1	217905787	SZOMDHDHQIBUJW-MRXNPFEDSA-N	376.482	1.091	70	50	GDIA	
COCCn1c(CNC(=O)Cn2nnc3ccccc3c2=O)nc2ccccc21	218233764	QUYZBKVNYSRUDI-UHFFFAOYSA-N	392.419	1.104	70	50	GDIA	
COCc1nn2c(=O)cc(CSCC(=O)Nc3ccccn3)nc2s1	218608041	YPDGMDNCQZNJHB-UHFFFAOYSA-N	377.451	1.564	70	50	GDIA	
COc1ccc(CCN2C[C@H](C(=O)N[C@H](CO)C(C)C)CC2=O)cc1OC	217872157	SNBMZXKGENPMFB-HZPDHXFCSA-N	378.469	1.228	70	50	GDIA	biogenic
CSCC[C@@H](CO)NC(=O)C[C@@H]1NC(=O)N(Cc2cccc(Cl)c2)C1=O	218311070	HCCFPYNEQOYOSC-KBPBESRZSA-N	399.900	1.381	70	50	GDIA	
CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1c(C)cc(C)n(CCOC)c1=O	217959534	CTVOCSFYHYQLGF-SFHVURJKSA-N	397.475	1.425	70	50	GDIA	biogenic
O=C(NCC(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1)c1cccnc1	160836918	RWPMLJZNCWDXIJ-UHFFFAOYSA-N	392.419	1.663	70	50	GDIA	
CC(C)Oc1ccc2nnc(CCC(=O)N[C@H](CO)Cc3ccccc3)n2n1	218373230	USOXIGCOUVLIKE-INIZCTEOSA-N	383.452	1.564	70	50	GDIA	
O=c1cc(CN2CCN(c3ccccc3)CC2)oc(CN2CCOCC2)c1O	218290934	VMTPBADPVYQWBL-UHFFFAOYSA-N	385.464	1.500	70	50	GDIA	
Cc1cc(NC(=O)CN2CCN(C(=O)Cc3nc(C)sc3C)CC2)no1	160642386	YBRZDHKQDXIBFT-UHFFFAOYSA-N	377.470	1.382	70	50	GDIA	
COc1cn(CC(=O)Nc2ccc(C(=O)c3nccn3C)cc2)c(C)cc1=O	218176587	DIPRZIXXBVXFCM-UHFFFAOYSA-N	380.404	1.769	70	50	GDIA	
Cc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)N[C@H]2CCS(=O)(=O)C2)n1	218409380	OGPNXISZCDTDSN-IRXDYDNUSA-N	388.493	1.420	70	50	GDIA	
COC(=O)CNC(=O)CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12	217844714	OEDQDXKFZFULHZ-SFHVURJKSA-N	379.372	1.091	70	50	GDIA	biogenic
O=c1cc(CN2CCCCC2)oc(CN2CCN(c3cnccn3)CC2)c1O	218544378	JFHIVLJYUFTIGP-UHFFFAOYSA-N	385.468	1.444	70	50	GDIA	
CC(C)Cc1nc(NC(=O)CC[C@@H]2NC(=O)N(CCc3ccccc3)C2=O)n[nH]1	218287690	XDPFBRAGQDVFCK-HNNXBMFYSA-N	398.467	1.885	70	50	GDIA	
O=C(C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)NCC1CCOCC1	217648978	VTSOUIXXQKMCSH-SFHVURJKSA-N	398.463	1.564	70	50	GDIA	biogenic
Cc1cc(C)c2nonc2c1S(=O)(=O)N1CCCn2nc(CO)cc2C1	217542983	YGERVCSOPOLLMR-UHFFFAOYSA-N	377.426	1.123	70	50	GDIA	
CC(C)NC(=O)c1ccc(C(=O)N2CCN(C(=O)c3cccnc3)CC2)cc1	161009543	OGQWHUMZEXCCLN-UHFFFAOYSA-N	380.448	1.818	70	50	GDIA	
Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N[C@@H]1CCOC2(CCCC2)C1	159983275	ADKJAQJOWMLDEX-OAHLLOKOSA-N	399.495	1.986	70	50	GDIA	
COC(=O)C[C@H](c1ccc(OC)c(OC)c1)c1c(O)c(C(=O)OC)c[nH]c1=O	218063876	BATQUXHPMOXNTC-LLVKDONJSA-N	391.376	1.579	70	50	GDIA	biogenic
COC(=O)C[C@@H](c1ccc2c(c1)OCO2)c1c(O)c(C(=O)OC)c[nH]c1=O	218100078	SKNZMPJYSNTCCB-JTQLQIEISA-N	375.333	1.291	70	50	GDIA	biogenic
CC(C)c1noc(CCCNC(=O)CC[C@@H]2NC(=O)c3ccccc3NC2=O)n1	217672588	JHEBWUDXXAGBQP-HNNXBMFYSA-N	399.451	1.773	70	50	GDIA	biogenic
COc1cc(OC)cc([C@@H](c2sc3ncnn3c2O)N2CCN(C)CC2)c1	218553432	OEUMNIRCDMZCTH-HNNXBMFYSA-N	389.481	1.850	70	50	GDIA	
Cc1cc(O)n2nc(CC(=O)N(C)Cc3nccn3Cc3ccccc3)nc2n1	218494957	RRXIYRKVMSJLBK-UHFFFAOYSA-N	391.435	1.584	70	50	GDIA	
Cc1ccc2c(c1)c(=O)c(C(=O)N[C@H]1[C@H]3CCO[C@H]3[C@@H]1N1CCCC1)cn2C	218513234	GZNZXFVBDROGJL-HCKZWYBISA-N	381.476	1.828	70	50	GDIA	
O=C(N[C@@H]1CCOC[C@H]1O)c1ccccc1S(=O)(=O)Cc1ccccc1	218690670	SIQVGTVHIIFTHO-IAGOWNOFSA-N	375.446	1.540	70	50	GDIA	
COc1c(C)n(CC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)ccc1=O	218177049	URDWSRWCLZQRGB-MRXNPFEDSA-N	390.461	1.386	70	50	GDIA	
COc1ccccc1CN1C(=O)N[C@@H](CC(=O)NCCn2nc(C)cc2C)C1=O	218320492	FXJNHOSLSGCUSI-INIZCTEOSA-N	399.451	1.135	70	50	GDIA	
O=C(CCc1nnnn1-c1ccccc1)Nc1ccc(S(=O)(=O)F)cc1	2325883992	WWZKIIQMQTXCGQ-UHFFFAOYSA-N	375.385	1.892	70	50	GDIA	
Cc1c(C(=O)Nc2ccc(N3CCN(C)CC3)nc2)cnn1C1CCOCC1	160902059	WCIRGBBNGLKMDF-UHFFFAOYSA-N	384.484	1.942	70	50	GDIA	
COc1ccc(S(N)(=O)=O)cc1C(=O)NCCc1nc2ccccc2n1C	216914269	HAIXJVUXEGTRTF-UHFFFAOYSA-N	388.449	1.202	70	50	GDIA	
CC1(C)S[C@@H]2c3ccccc3C(=O)N2[C@H]1C(=O)NCCN1CCOCC1	218600893	MJGYQPZDBGYDPL-MAUKXSAKSA-N	375.494	1.483	70	50	GDIA	
O=C(NC1CCN(C(=O)N2CCOCC2)CC1)c1scc2c1OCCO2	217073640	TXPRBTPYIOLSLE-UHFFFAOYSA-N	381.454	1.166	70	50	GDIA	
O=C1[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2N1S(=O)(=O)Cl	101042880	XPEZICCBZNFVFF-DPYQTVNSSA-N	381.473	1.618	70	50	GDIA	
Cn1cccc1CNC(=O)C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O	217654256	WFSGONHZPGVURI-SFHVURJKSA-N	393.447	1.676	70	50	GDIA	biogenic
CCc1nc(N2CCn3nc(CN4CC[C@@H](NC(C)=O)C4)cc3C2)ncc1C	216846397	WMIZPFPQEZYWAI-MRXNPFEDSA-N	383.500	1.275	70	50	GDIA	
CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N(C)CC(C)(C)CN1CCOCC1	160319730	ODHVKIJJAIGSDS-HXUWFJFHSA-N	387.524	1.777	70	50	GDIA	
NC(=O)COc1ccc(Cl)cc1S(=O)(=O)NC[C@H]1Cc2ccccc21	160980174	ZFBWHJCLDYVQFB-GFCCVEGCSA-N	380.853	1.822	70	50	GDIA	
O=C(C[C@@H]1NC(=O)N(c2ccccc2)C1=O)NCCc1nc2ccccc2[nH]1	218484334	HJKIXDUUBMLIGW-INIZCTEOSA-N	377.404	1.737	70	50	GDIA	
O=C(N[C@H](CO)c1ccccc1)[C@H]1CC(=O)N(Cc2ccc3c(c2)OCO3)C1	217924302	YWXVSGNDUJYFAL-DLBZAZTESA-N	382.416	1.614	70	50	GDIA	biogenic
COc1ccc(Cc2nc(NC(=O)Cn3cc(OC)c(=O)cc3C)n[nH]2)cc1	218183562	GRUOCTIXOYHUGQ-UHFFFAOYSA-N	383.408	1.522	70	50	GDIA	
Cc1c(OCC(=O)N[C@@H]2CCS(=O)(=O)C2)ccc2c3c(c(=O)oc12)CCC3	218246844	JYJIQUVHEZFYEB-GFCCVEGCSA-N	391.445	1.272	70	50	GDIA	
Cc1cc(C)n(CCNC(=O)C[C@@H]2NC(=O)N(CCc3ccccc3)C2=O)n1	218549573	ZUMHQIHLNHBKFD-KRWDZBQOSA-N	383.452	1.169	70	50	GDIA	
O=S1(=O)CCC2(CC1)CN(Cc1ccc(OS(=O)(=O)F)cc1)CCO2	1875387341	CILRKJUKXVLWMM-UHFFFAOYSA-N	393.458	1.059	70	50	GDIA	
Cc1ncsc1CCC(=O)N1CCCn2nc([C@H](O)CN(C)C)cc2C1	218423907	DQCCOOIBVAJSDZ-MRXNPFEDSA-N	377.514	1.608	70	50	GDIA	
COCCn1c(C)cc(C)c(C(=O)NCCc2nc(-c3ccccn3)no2)c1=O	218602376	ADWBOWWBNWGPHF-UHFFFAOYSA-N	397.435	1.529	70	50	GDIA	
COC(=O)[C@H]1C[C@H](S(=O)(=O)F)CN1C(=O)CSc1ccc(Cl)cc1	2325887661	LJLCSUCNBQTYLK-NWDGAFQWSA-N	395.861	1.874	70	50	GDIA	
O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1ccc2c(c1)OCC(=O)N2	217806222	HMQDCMJMSPGHSJ-HNNXBMFYSA-N	394.387	1.487	70	50	GDIA	biogenic
COc1ccc(CCN2C(=O)N[C@@H](CC(=O)Nc3ccncc3)C2=O)cc1OC	218244106	DWLYVRLMYYQUAV-HNNXBMFYSA-N	398.419	1.591	70	50	GDIA	
O=C(NCc1cccnc1)[C@@H]1[C@H]2C=C[C@@]3(CN(CCc4ccccc4)C(=O)[C@H]13)O2	217700149	HFYDUXVAVHZSHY-UGTOYMOASA-N	389.455	1.723	70	50	GDIA	
O=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)N[C@H](CO)Cc1ccccc1	217860899	FMJAQNFRHXADMQ-RDJZCZTQSA-N	385.420	1.200	70	50	GDIA	biogenic
COc1c2c(c(S(=O)(=O)N3CCCCCC3)c3c1C(=O)N(C)CC3)OCO2	217957533	QSVYKVLMOAXRAM-UHFFFAOYSA-N	396.465	1.617	70	50	GDIA	biogenic
O=S(=O)(F)c1csc(S(=O)(=O)N2C[C@H](CO)Cc3ccccc32)c1	2325887343	HVVNFXKGWOLKOI-SNVBAGLBSA-N	391.467	1.766	70	50	GDIA	
O=C(Nc1ccnn1[C@@H]1CCS(=O)(=O)C1)N1CCN(C2CCCC2)CC1	160780894	UMJYUIBBSYYDHM-OAHLLOKOSA-N	381.502	1.335	70	50	GDIA	
OC[C@@H](O)c1cc2n(n1)CCCN(Cc1cc(CN3CCCC3)cs1)C2	217008299	CWRRKKTWKXWWNT-LJQANCHMSA-N	376.526	1.972	70	50	GDIA	
Cc1ncsc1-c1nc(CS(=O)(=O)CC(=O)NC2CCCCC2)no1	159414313	GAKOGWGVMPWACK-UHFFFAOYSA-N	384.483	1.865	70	50	GDIA	
COC(=O)CNC(=O)CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12	217844644	OEDQDXKFZFULHZ-GOSISDBHSA-N	379.372	1.091	70	50	GDIA	biogenic
N[C@@H]1CCN(C(=O)CCCS(=O)(=O)c2ccc(Br)cc2)C1	160274657	RSWSUMTWGYTAHL-GFCCVEGCSA-N	375.288	1.563	70	50	GDIA	
COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1cccc(-n2cnnn2)c1	218395381	RYBOCLADIKEHGH-HNNXBMFYSA-N	395.375	1.920	70	50	GDIA	
CSCC[C@H](NC(=O)c1ccccc1-n1cnnn1)c1nnc2ccccn12	218443452	PRCBBENSHBQGQT-AWEZNQCLSA-N	394.464	1.929	70	50	GDIA	
CC(C)c1nc(NC(=O)Cn2ccc3c(NS(C)(=O)=O)cccc32)n[nH]1	218601697	XSHIPNIXSQNVEL-UHFFFAOYSA-N	376.442	1.893	70	50	GDIA	
COc1ccc2cc([C@H](CC(N)=O)c3oc(C)cc(=O)c3O)c(=O)n(C)c2c1	217630306	JQEYHEKLIMZMQJ-ZDUSSCGKSA-N	384.388	1.522	70	50	GDIA	biogenic
COc1ccccc1N1CC[C@@H](NC(=O)c2cnc3c(c2)c(C)nn3C)C1=O	161262997	YDEBFFPHHJZBSE-OAHLLOKOSA-N	379.420	1.821	70	50	GDIA	
COc1ccc([C@@H]2CC(=O)Oc3ccc(C(C)=O)c(O)c32)cc1OCC(N)=O	217601452	XLFYTVFLUUFUFC-ZDUSSCGKSA-N	385.372	1.909	70	50	GDIA	biogenic
COc1ccccc1-n1cc([C@H](C)NC(=O)Cn2c(C)cc(C)nc2=O)cn1	218671962	YFNYVIGHYBVLTP-HNNXBMFYSA-N	381.436	1.932	70	50	GDIA	
COC(=O)C[C@@H](c1ccc2c(c1)OCCO2)c1c(O)c(C(=O)OC)c[nH]c1=O	218019782	GZTGSCKDSDUNTC-NSHDSACASA-N	389.360	1.333	70	50	GDIA	biogenic
COc1ccnc(N2CCN(C(=O)Nc3ccn(CC(F)(F)F)n3)CC2)n1	160707514	UPLYYLDFANKUFL-UHFFFAOYSA-N	385.350	1.598	70	50	GDIA	
COc1ccc(Cc2nc(NC(=O)Cn3cnc4ccsc4c3=O)n[nH]2)cc1	218274286	FEOKFOADKDGNAB-UHFFFAOYSA-N	396.432	1.814	70	50	GDIA	
Cc1cnc2c(C(=O)N[C@@H]3CCOC[C@H]3OCc3c(C)noc3C)cnn2c1	218250405	FMTRJNFUKUUJFJ-IAGOWNOFSA-N	385.424	1.747	70	50	GDIA	
COC(=O)[C@@H](NC(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O)C(C)C	218285062	XYYVLXXKTCDXSF-KRWDZBQOSA-N	377.828	1.878	70	50	GDIA	
COc1cc(OC)cc([C@H](c2sc3ncnn3c2O)N2CCN(C)CC2)c1	218553506	OEUMNIRCDMZCTH-OAHLLOKOSA-N	389.481	1.850	70	50	GDIA	
O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1ccc2c(c1)NC(=O)CO2	217602516	PYJHHQJSOJSMKP-AWEZNQCLSA-N	394.387	1.487	70	50	GDIA	biogenic
O=C(Cn1cnc2ccsc2c1=O)N1CCN(CCc2ccccn2)CC1	218311599	MBRCVKSDHFSHNQ-UHFFFAOYSA-N	383.477	1.240	70	50	GDIA	
COc1cc2c(cc1OC)CC(=O)N(CC(=O)N[C@H](CO)CCSC)C=C2	217899294	DWJCSTFJLXGJKB-HNNXBMFYSA-N	394.493	1.289	70	50	GDIA	biogenic
Cn1cnc2ccc(NC(=O)COc3ccccc3-n3cnnc3)cc2c1=O	218304190	YAGKMTFUXQZGPX-UHFFFAOYSA-N	376.376	1.532	70	50	GDIA	
COc1ccc(C(=O)N2CCCn3nc([C@@H](O)c4ccnn4C)cc3C2)cn1	218380296	GAXGQGNOYCQLGK-GOSISDBHSA-N	382.424	1.148	70	50	GDIA	
O=C(NCCc1nnc2ccccn12)C1CCN(c2ccc(Cl)nn2)CC1	218150890	VJQKOXJDMCAOCD-UHFFFAOYSA-N	385.859	1.748	70	50	GDIA	
CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N(C)CC(C)(C)CN1CCOCC1	160319842	ODHVKIJJAIGSDS-FQEVSTJZSA-N	387.524	1.777	70	50	GDIA	
COc1ccccc1NS(=O)(=O)c1ccc(OS(=O)(=O)F)c(N)c1	1875389882	FCWLQIWYEINGON-UHFFFAOYSA-N	376.387	1.671	70	50	GDIA	
NC(=O)c1ccc(NC(=O)CC[C@@H]2NC(=O)N(CCc3ccccc3)C2=O)cc1	217870531	BSQVFAJDMXOWCC-KRWDZBQOSA-N	394.431	1.667	70	50	GDIA	biogenic
COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1cccc(CC(N)=O)c1	218193393	WZILIBKOGATGII-OAHLLOKOSA-N	384.388	1.972	70	50	GDIA	
O=C(Nc1cncc(OS(=O)(=O)F)c1)[C@H]1CC(=O)N(c2ccccc2F)C1	1875387689	SYGLWTVFVQCBFO-JTQLQIEISA-N	397.359	1.805	70	50	GDIA	
CC1(C)C[C@@H](n2[nH]c(=O)c3c2NC(=O)CS[C@@H]3c2ccc[nH]c2=O)CCO1	218277414	KHKINERBVASELL-IINYFYTJSA-N	390.465	1.770	70	50	GDIA	
COC(=O)[C@H](CC(C)C)NC(=O)CC[C@@H]1NC(=O)c2ccccc2NC1=O	217903704	BQGDWDSGBWXPKC-GJZGRUSLSA-N	375.425	1.221	70	50	GDIA	biogenic
COC(=O)CNC(=O)CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12	217704355	IPBZMFHBSRWSQJ-LJQANCHMSA-N	393.399	1.481	70	50	GDIA	biogenic
CCc1c(C(=O)N2CCN(c3ncnc4sccc34)CC2)[nH]c(C)c1C(N)=O	160890410	FSFLCQSOCDAXPL-UHFFFAOYSA-N	398.492	1.952	70	50	GDIA	
COc1ccc2c(c1OC)C(=O)N1[C@@H](C(=O)NCc3cccn3C)CS[C@@H]21	218486619	OOAQTPKRXFOVOC-YJYMSZOUSA-N	387.461	1.929	70	50	GDIA	
O=C(C[C@@H]1NC(=O)N(Cc2cccc(Cl)c2)C1=O)NCCn1cccn1	218173675	UROJGFWTSHUSBV-AWEZNQCLSA-N	375.816	1.163	70	50	GDIA	
COc1c2c(c(S(=O)(=O)N3CCCCC3)c3c1C(=O)N(C)CC3)OCO2	217943595	UKHRLKAYAGAYPP-UHFFFAOYSA-N	382.438	1.227	70	50	GDIA	biogenic
Cn1nccc1[C@@H](O)c1cc2n(n1)CCCN(Cc1ccc3c(c1)OCO3)C2	218285770	JDCTUOXCKZANSU-FQEVSTJZSA-N	381.436	1.833	70	50	GDIA	
O[C@H](c1cc2n(n1)CCN(Cc1cnc(N3CCOCC3)s1)C2)C1CC1	218561119	IYQWKXGALSVWFR-KRWDZBQOSA-N	375.498	1.635	70	50	GDIA	
Cc1nnnn1-c1cccc(NC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)c1	218135545	DSXFUCMCNMGHRA-INIZCTEOSA-N	391.391	1.050	70	50	GDIA	
Cc1cc(=O)c(O)c([C@H](CC(N)=O)c2cc3cc4c(cc3[nH]c2=O)OCCO4)o1	217741910	UIPHHUSJGSFGEK-LLVKDONJSA-N	398.371	1.274	70	50	GDIA	biogenic
COCc1nnc(NC(=O)c2c(C)cc(C)n(C[C@H]3CCCO3)c2=O)s1	218485728	UVHSHSCIUOUETB-GFCCVEGCSA-N	378.454	1.894	70	50	GDIA	
C[C@@H](O)c1cc2n(n1)CCCN(CC(=O)Nc1nnc(C3CCC3)s1)C2	217146114	PIHQJYRZLMVGHS-LLVKDONJSA-N	376.486	1.900	70	50	GDIA	
COc1ccccc1-n1cc([C@@H](C)NC(=O)Cn2c(C)cc(C)nc2=O)cn1	218671900	YFNYVIGHYBVLTP-OAHLLOKOSA-N	381.436	1.932	70	50	GDIA	
Cn1nccc1[C@@H]1SCC(=O)Nc2c1c(=O)[nH]n2[C@@H]1CCOC(C)(C)C1	218307173	LUEVQLWKZTZJOA-YGRLFVJLSA-N	377.470	1.815	70	50	GDIA	
Cc1cc2c(c(=O)[nH]1)[C@@H](c1cc3cc4c(cc3[nH]c1=O)OCCO4)CC(=O)O2	217766077	BVTCTGKVYSISSQ-LLVKDONJSA-N	380.356	1.737	70	50	GDIA	biogenic
COCCn1c(CCNC(=O)C2(n3cnnn3)CCCCC2)nc2ccccc21	218475840	CGBGQWPVIDMGIR-UHFFFAOYSA-N	397.483	1.688	70	50	GDIA	
COC(=O)C[C@H](c1ccc(O)c(OC)c1)c1c(O)c(C(=O)OC)c[nH]c1=O	218064806	XYARNOMWAOBIKT-SNVBAGLBSA-N	377.349	1.276	70	50	GDIA	biogenic
COCCn1c(C)cc(C)c(C(=O)N2CCn3c(nnc3C(F)(F)F)C2)c1=O	218559299	ZVDBKILKXXUNEM-UHFFFAOYSA-N	399.373	1.378	70	50	GDIA	
COCCN1C(=O)c2ccccc2[C@@H](C(=O)N[C@@H](C)C(=O)OC)C12CCCC2	217915257	BAQVKEAKWVCCIM-YOEHRIQHSA-N	388.464	1.863	70	50	GDIA	biogenic
Cc1cc(N2CCN(C(=O)Cn3nnc(-c4ccccc4)n3)CC2)cc(C)n1	218157722	XYTBOZAEKATYDF-UHFFFAOYSA-N	377.452	1.701	70	50	GDIA	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC(=O)OC3(C)C)CC2)cc1	218519336	XSLJEPBJJUKCTE-OAHLLOKOSA-N	380.466	1.170	70	50	GDIA	
COc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@@]4(CN(c5cc(C)on5)C(=O)[C@H]24)O3)cc1	217713706	XSYIJDVXPUMPMA-FKKBTLCVSA-N	381.388	1.917	70	50	GDIA	
O=S(=O)(F)c1cccc(S(=O)(=O)N2CCC[C@@H]([C@H]3CCCNC3)C2)c1	2325891154	UIAPJYQYQCGDCN-UONOGXRCSA-N	390.502	1.745	70	50	GDIA	
COC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1nc2c(cc1=O)CCCCC2	218146760	LIVRPLUAEPJVPW-SFHVURJKSA-N	383.448	1.413	70	50	GDIA	
COc1ccc(CN2CCn3nc([C@@H](O)CS(C)(=O)=O)cc3C2)c(C)c1	218185548	SJPODHZFXCWAGY-SFHVURJKSA-N	379.482	1.294	70	50	GDIA	
Cc1nnnn1[C@@H](C(=O)N1CCC(CS(=O)(=O)F)CC1)c1ccccc1	2325887459	TZYBPNRPIGEFCE-OAHLLOKOSA-N	381.433	1.109	70	50	GDIA	
Cc1nccn1CCNC(=O)CC[C@@H]1NC(=O)N(CCc2ccccc2)C1=O	218207102	JIGYEZBGLHUOIF-KRWDZBQOSA-N	383.452	1.251	70	50	GDIA	
Cn1c(CCNC(=O)[C@H](Cc2ccccc2)n2cnnn2)nc2ccccc21	218180468	MKHNRELKIVCEDS-SFHVURJKSA-N	375.436	1.703	70	50	GDIA	
COc1ccc(CN2C(=O)N[C@@H](CC(=O)NCc3ccncc3)C2=O)cc1OC	217600594	XFHPZNYIFCUGRE-HNNXBMFYSA-N	398.419	1.226	70	50	GDIA	biogenic
CC[C@@H](C)[C@@H](CO)NC(=O)CN1C=Cc2cc(OC)c(OC)cc2CC1=O	217638759	JCYPTIUSFSEGAP-CZUORRHYSA-N	376.453	1.582	70	50	GDIA	biogenic
COC(=O)C[C@@H](c1ccc(O)c(OC)c1)c1c(O)c(C(=O)OC)c[nH]c1=O	218064882	XYARNOMWAOBIKT-JTQLQIEISA-N	377.349	1.276	70	50	GDIA	biogenic
CN(C)CCCNC(=O)C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O	217734009	QUKAJIWUXQFWFC-KRWDZBQOSA-N	385.468	1.089	70	50	GDIA	biogenic
O=S(=O)(F)c1cccc(S(=O)(=O)N2CCC[C@H]([C@H]3CCCNC3)C2)c1	2325891152	UIAPJYQYQCGDCN-KBPBESRZSA-N	390.502	1.745	70	50	GDIA	
O=c1cc(CN2CCOCC2)oc(CN2CCO[C@@H](c3ccccc3)C2)c1O	218469084	BRCKWVUNURUIEH-LJQANCHMSA-N	386.448	1.751	70	50	GDIA	
COC(=O)C[C@H](c1ccc(O)cc1)c1oc(CN2CCOCC2)cc(=O)c1O	217807273	SVSVYDXLDFQMGL-MRXNPFEDSA-N	389.404	1.578	70	50	GDIA	biogenic
O=C1[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2N1S(=O)(=O)Cl	254412800	XPEZICCBZNFVFF-JGWLITMVSA-N	381.473	1.618	70	50	GDIA	
CCOC(=O)N1CCN(C(=O)c2c(C)cc(C)n(C[C@@H]3CCCO3)c2=O)CC1	218530964	ONBGUKLDOCACNK-INIZCTEOSA-N	391.468	1.558	70	50	GDIA	
COc1ccccc1CCN1C(=O)N[C@@H](CCC(=O)NCc2cccnc2)C1=O	217860395	WXSNBAFIGPWOSI-KRWDZBQOSA-N	396.447	1.650	70	50	GDIA	biogenic
O=S(=O)(F)c1cccc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCCNC3)C2)c1	2325891155	UIAPJYQYQCGDCN-ZIAGYGMSSA-N	390.502	1.745	70	50	GDIA	
O=C(N[C@H](CO)c1ccccc1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1	218341379	FTYCTWOINGVFCU-NVXWUHKLSA-N	382.416	1.661	70	50	GDIA	
O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1nc(-c2ccco2)n[nH]1	217811236	YOIKSIYLXBSRDV-LBPRGKRZSA-N	380.364	1.534	70	50	GDIA	biogenic
O=C(N[C@H](CO)c1ccccc1)[C@@H]1CC(=O)N(Cc2ccc3c(c2)OCO3)C1	217924216	YWXVSGNDUJYFAL-IAGOWNOFSA-N	382.416	1.614	70	50	GDIA	biogenic
COCCn1cc(C(=O)c2ccccc2OS(=O)(=O)F)cc(C#N)c1=O	1875374445	QTYJKOODHJLTOC-UHFFFAOYSA-N	380.353	1.190	70	50	GDIA	
CC(C)C[C@H](CO)NC(=O)c1cc2c(cc1Br)n(C)c(=O)n2C	160683573	HGSMVPFJAUAZPK-SNVBAGLBSA-N	384.274	1.776	70	50	GDIA	
CS(=O)(=O)c1cc(Br)cc(C(=O)N2CCC[C@@H]2CN)c1F	160290761	ODVHJPPHZAMNPO-SECBINFHSA-N	379.251	1.555	70	50	GDIA	
O=C(Cn1ccc(=O)c2ccccc21)NC[C@@H]1CCCN(c2ncccn2)C1	218458927	ULZKRASKECDRBH-INIZCTEOSA-N	377.448	1.824	70	50	GDIA	
COc1ccc(CCN2C(=O)N[C@@H](CC(=O)N3CCCC3)C2=O)cc1OC	217695339	PPUNRECTZIIZJH-AWEZNQCLSA-N	375.425	1.179	70	50	GDIA	biogenic
COc1cc([C@H]2CC(=O)Oc3nc4ccccn4c(=O)c32)cc2c1OCCO2	217772309	VNDNYNXQHOLYHD-GFCCVEGCSA-N	380.356	1.915	70	50	GDIA	biogenic
O=S(=O)(CCOc1ccccc1)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCCC1	218717490	GDJPCFXWJBJQPM-FCGDIQPGSA-N	380.510	1.627	70	50	GDIA	
COC(=O)C[C@@H](c1cccc(O)c1)c1oc(CN2CCOCC2)cc(=O)c1O	217685481	HQCSBGTWHSSYIC-INIZCTEOSA-N	389.404	1.578	70	50	GDIA	biogenic
Cn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)c2nc3ccc(Cl)cn3c2F)C1	218289296	ANWPPXXPKGMBRN-CZMCAQCFSA-N	378.795	1.424	70	50	GDIA	
CCn1nc(C)cc1S(=O)(=O)N[C@@H]1COCC[C@@H]1OCc1ccccc1	218748670	VKSUENVNYRQLFC-SJORKVTESA-N	379.482	1.864	70	50	GDIA	
C[C@H](O)c1cc2n(n1)CCN(C(=O)c1c(Cl)c(C(F)(F)F)nn1C)C2	217869638	RFKCXCKAIHDPEX-ZETCQYMHSA-N	377.754	1.998	70	50	GDIA	
Cn1c(CN2CCN(c3ccccc3)CC2)cc(=O)c(O)c1CN1CCOCC1	218527638	WONLBADSHITMFR-UHFFFAOYSA-N	398.507	1.245	70	50	GDIA	
COc1ccc2c(c1OC)C(=O)N1[C@H]2SC[C@H]1C(=O)NCc1ccccn1	218502604	GBTYILZXKHNSEZ-DJJJIMSYSA-N	385.445	1.985	70	50	GDIA	
CN(C)C[C@@H](O)c1cc2n(n1)CCCN(C(=O)COc1ccc(F)cc1)C2	218616520	GUWZYSYHQXNGFP-GOSISDBHSA-N	376.432	1.429	70	50	GDIA	
COc1ccc2c(c1OC)C(=O)N1[C@@H](C(=O)NCC3CCOCC3)CS[C@@H]21	218060999	BZGYMBVHMRSPOC-YJYMSZOUSA-N	392.477	1.816	70	50	GDIA	biogenic
COc1ccc(N2C(=O)N[C@@H](CCC(=O)NCCc3ccccn3)C2=O)cc1	218478442	AUSLKERHCBSVKP-KRWDZBQOSA-N	382.420	1.654	70	50	GDIA	
NS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2[C@@H]3CCO[C@@H]3[C@@H]2C2CCCC2)c1	218754532	LZCBPKKGLORCDY-IEAZIUSSSA-N	382.457	1.797	70	50	GDIA	
C[C@@H](C(=O)NS(C)(=O)=O)c1ccc(OS(=O)(=O)C(F)(F)F)cc1	14211055	DDLPYOCJHQSVSZ-SSDOTTSWSA-N	375.346	1.094	70	50	GDIA	in-man
CC1(C)S[C@@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)NCCN1CCOCC1	218601034	MJGYQPZDBGYDPL-CRAIPNDOSA-N	375.494	1.483	70	50	GDIA	
COc1ccc2c(c1OC)C(=O)N1[C@@H](C(=O)NCC3CCOCC3)CS[C@H]21	218060926	BZGYMBVHMRSPOC-BFUOFWGJSA-N	392.477	1.816	70	50	GDIA	biogenic
COc1ccc(CN2CCn3nc([C@H](O)CS(C)(=O)=O)cc3C2)c(C)c1	218185610	SJPODHZFXCWAGY-GOSISDBHSA-N	379.482	1.294	70	50	GDIA	
COc1ccc(OCCNC(=O)C[C@@H]2NC(=O)N(c3ccccc3)C2=O)cc1	218596651	MIOVLHQNXWFVLJ-KRWDZBQOSA-N	383.404	1.705	70	50	GDIA	
COC(=O)C[C@H](c1ccc2nccnc2c1)c1c(O)c(C(=O)OC)c[nH]c1=O	218611826	LJPMWCTXRPOVAB-LLVKDONJSA-N	383.360	1.505	70	50	GDIA	
Cc1cc(=O)c(O)c([C@@H](CC(N)=O)c2cc3cc4c(cc3[nH]c2=O)OCCO4)o1	217741989	UIPHHUSJGSFGEK-NSHDSACASA-N	398.371	1.274	70	50	GDIA	biogenic
COCCn1cnc2ccc(NC(=O)[C@@H]3CC(=O)N(CC(C)C)C3)cc2c1=O	218289583	BYHNLAUVVCBOLC-CQSZACIVSA-N	386.452	1.486	70	50	GDIA	
Cc1nnc(SCCNC(=O)COc2ccc(-n3cnnn3)cc2)s1	218208606	NAKMNLLQORZPJP-UHFFFAOYSA-N	377.455	1.110	70	50	GDIA	
Cn1c(CO)nnc1[C@H]1CCCN(C(=O)C2(N3CCOCC3)CCCCC2)C1	217488503	SFPRKJCOESMRNC-INIZCTEOSA-N	391.516	1.049	70	50	GDIA	
NC(=O)C[C@H](c1ccc(F)c(F)c1)c1oc(CN2CCOCC2)cc(=O)c1O	218609009	QAOMAWQEOAYQMN-CYBMUJFWSA-N	394.374	1.463	70	50	GDIA	
CCc1cc(CN(C)C(=O)c2ccc3c(c2)nc(N2CC[C@H](O)C2)n3C)on1	218200934	FPPWKROYAGUQCV-HNNXBMFYSA-N	383.452	1.967	70	50	GDIA	
COc1ccc2c(c1OC)C(=O)N1[C@@H](C(=O)NCc3ccccn3)CS[C@H]21	218502373	GBTYILZXKHNSEZ-BFUOFWGJSA-N	385.445	1.985	70	50	GDIA	
CC1(C)CN(C(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)CCS1(=O)=O	159995822	BJSSWJRCBQHVJB-INIZCTEOSA-N	378.494	1.256	70	50	GDIA	
COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)Nc3cccnc3)C2=O)cc1	218316657	MRQJDYAOBBOZCZ-KRWDZBQOSA-N	382.420	1.972	70	50	GDIA	
CC(C)[C@@H](CO)NC(=O)C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O	217877455	HREGXFJGZUNPMJ-DLBZAZTESA-N	386.452	1.154	70	50	GDIA	biogenic
Cc1cc(C)c(CN2CCn3nc([C@@H](O)CS(C)(=O)=O)cc3C2)cc1C	218442270	IKJYVVKSOFGBCJ-IBGZPJMESA-N	377.510	1.902	70	50	GDIA	
COc1ccc2c(c1OC)C(=O)N1[C@H]2SC[C@H]1C(=O)NCc1cccn1C	218486762	OOAQTPKRXFOVOC-DJJJIMSYSA-N	387.461	1.929	70	50	GDIA	
Cc1nc2ccc(CNC(=O)CNS(=O)(=O)c3ccc(F)cc3C)cc2[nH]1	218495058	YBFLGQAGKVNOQP-UHFFFAOYSA-N	390.440	1.914	70	50	GDIA	
C[C@H](NC(=O)C[C@H]1NC(=O)c2ccccc2NC1=O)c1nc2ccccc2[nH]1	218041464	MEBKTLLOZATATA-MEDUHNTESA-N	377.404	1.881	70	50	GDIA	biogenic
CC(C)C(=O)N1CCN(Cc2c(F)cccc2Cl)[C@@H]2CS(=O)(=O)C[C@@H]21	216677251	PHAZCEKDNFFFQL-CVEARBPZSA-N	388.892	1.945	70	50	GDIA	
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)Nc1n[nH]c(C(F)(F)F)n1	218021722	ZBUHXGFZNLEEIM-ZKWXMUAHSA-N	378.380	1.488	70	50	GDIA	biogenic
C[C@H]1CO[C@@H](C(F)(F)F)CN1S(=O)(=O)c1ccc(S(=O)(=O)F)cc1	1776007549	LAPLSWUPGZZOII-GZMMTYOYSA-N	391.364	1.685	70	50	GDIA	
COc1cn(CC(=O)Nc2cccc(C(=O)c3nccn3C)c2)c(C)cc1=O	218316247	MUWDAWGGFMFKPB-UHFFFAOYSA-N	380.404	1.769	70	50	GDIA	
COC(=O)C[C@H](c1cccc(O)c1)c1oc(CN2CCOCC2)cc(=O)c1O	217685390	HQCSBGTWHSSYIC-MRXNPFEDSA-N	389.404	1.578	70	50	GDIA	biogenic
Cc1cc(=O)c(O)c([C@H](CC(N)=O)c2cc3cccc4c3n(c2=O)CCC4)o1	217887424	QESOUQYVDASCFI-CQSZACIVSA-N	380.400	1.922	70	50	GDIA	biogenic
CN(CC(=O)N[C@@H]1CCOC[C@H]1OCc1cscn1)Cc1ccncc1	218608374	WSQPSGCBKRTOAR-IAGOWNOFSA-N	376.482	1.460	70	50	GDIA	
CN1CCN(Cc2oc(CN3CCN(c4ccccc4)CC3)cc(=O)c2O)CC1	218352068	HOUPSKAMOMSYCJ-UHFFFAOYSA-N	398.507	1.415	70	50	GDIA	
COCCn1c(COc2ccc(S(C)(=O)=O)cc2)nnc1[C@H]1C[C@H](N)C1	218634130	LBXYTVJJMDDXNM-BETUJISGSA-N	380.470	1.112	70	50	GDIA	
COc1ccc(CCN2C(=O)N[C@@H](CC(=O)NCC(C)C)C2=O)cc1OC	217888372	HAGICDHVIIAYMP-AWEZNQCLSA-N	377.441	1.329	70	50	GDIA	biogenic
COc1ccc(CNC(=O)COc2ccc(-c3nnn(C)n3)cc2)cc1OC	218189032	PNOSNHZVQIBORX-UHFFFAOYSA-N	383.408	1.590	70	50	GDIA	
Cc1nnnn1[C@H](C(=O)N1CCC(CS(=O)(=O)F)CC1)c1ccccc1	2325887458	TZYBPNRPIGEFCE-HNNXBMFYSA-N	381.433	1.109	70	50	GDIA	
CC1(C)CC(NC(=O)CC[C@@H]2NC(=O)N(Cc3ccco3)C2=O)CC(C)(C)N1	218350540	JEYQVWRYTDHKQF-HNNXBMFYSA-N	390.484	1.906	70	50	GDIA	
COC(=O)[C@@H]1C[C@H](S(=O)(=O)F)CN1C(=O)CSc1ccc(Cl)cc1	2325887662	LJLCSUCNBQTYLK-RYUDHWBXSA-N	395.861	1.874	70	50	GDIA	
CC1(C)CN(C(=O)[C@@H]2CCCCN2C(=O)c2cccs2)CCS1(=O)=O	159925813	YJTKYUSOUDMICW-ZDUSSCGKSA-N	384.523	1.778	70	50	GDIA	
O=C(C[C@@H]1NC(=O)N(Cc2ccco2)C1=O)N1CCO[C@@H](c2ccccc2)C1	218357774	UHZXXOZOYMWQQH-DLBZAZTESA-N	383.404	1.690	70	50	GDIA	
O=c1cc(CN2CCOCC2)oc(CN2CCN(c3ccccc3)CC2)c1O	218376618	MFJVMVCDJSJOFV-UHFFFAOYSA-N	385.464	1.500	70	50	GDIA	
O=C(N[C@@H]1COCC[C@H]1O)c1ccccc1S(=O)(=O)Cc1ccccc1	218575276	SCTYRPPAEMMCBO-IAGOWNOFSA-N	375.446	1.540	70	50	GDIA	
CCc1cc(N2CCn3nc([C@@H](O)c4nccn4C)cc3C2)nc(N(C)C)n1	218528005	POJXZQCCFAIQLF-QGZVFWFLSA-N	382.472	1.137	70	50	GDIA	
COc1ccc(CN2C(=O)N[C@@H](CC(=O)N[C@H](CO)c3ccccc3)C2=O)cc1	217799979	MNICJZFMGKSSRK-ZWKOTPCHSA-N	397.431	1.356	70	50	GDIA	biogenic
COC(=O)CNC(=O)CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12	217704440	IPBZMFHBSRWSQJ-IBGZPJMESA-N	393.399	1.481	70	50	GDIA	biogenic
CNC(=O)c1cccc(NC(=O)CC[C@@H]2NC(=O)c3ccccc3NC2=O)c1	217903491	IHTUPGAWIWPPFX-INIZCTEOSA-N	380.404	1.516	70	50	GDIA	biogenic
COC(=O)C[C@H](c1ccc2c(c1)OCO2)c1c(O)c(C(=O)OC)c[nH]c1=O	218100005	SKNZMPJYSNTCCB-SNVBAGLBSA-N	375.333	1.291	70	50	GDIA	biogenic
COc1cc([C@@H]2CC(=O)Oc3nc4ccccn4c(=O)c32)cc2c1OCCO2	217772237	VNDNYNXQHOLYHD-LBPRGKRZSA-N	380.356	1.915	70	50	GDIA	biogenic
Cc1ccn(C)c(=O)c1NS(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl	161470163	OIMJFDAKEDYNIB-UHFFFAOYSA-N	383.857	1.850	70	50	GDIA	
CCOC(=O)C[C@@H](C)NC(=O)[C@H](Cc1c[nH]c2cc(F)ccc12)NC(C)=O	160687455	VNIYBEFLDUBHTK-DIFFPNOSSA-N	377.416	1.812	70	50	GDIA	
COc1ccnc(N2CCN(C(=O)c3ccccc3N3CCOCC3)CC2)n1	217169400	CNOOJIDHKSSLRR-UHFFFAOYSA-N	383.452	1.284	70	50	GDIA	
COc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(CN(c5cc(C)on5)C(=O)[C@H]24)O3)c1	217719361	NAYKDCQUZDMNFO-PYQAKABTSA-N	381.388	1.917	70	50	GDIA	
C[C@H](C(=O)Nc1cccc(-c2nnn(C)n2)c1)n1cnc2ccccc2c1=O	218500493	DQANXDHKXMMIBV-GFCCVEGCSA-N	375.392	1.787	70	50	GDIA	
C[C@H](O)c1cc2n(n1)CCCN(CC(=O)Nc1nnc(C3CCC3)s1)C2	217146124	PIHQJYRZLMVGHS-NSHDSACASA-N	376.486	1.900	70	50	GDIA	
O[C@@H](c1cc2n(n1)CCN(Cc1cnc(N3CCOCC3)s1)C2)C1CC1	218561038	IYQWKXGALSVWFR-QGZVFWFLSA-N	375.498	1.635	70	50	GDIA	
O=C(C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)N[C@H](CO)Cc1ccccc1	217599684	FBLZLAMZWKMATF-ROUUACIJSA-N	381.432	1.217	70	50	GDIA	biogenic
CSCC[C@@H](CO)NC(=O)CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O	217709708	RTEAVNAKUIHHCZ-GJZGRUSLSA-N	379.482	1.117	70	50	GDIA	biogenic
COC(=O)[C@@H](NC(=O)Cn1nc(-c2ccc(F)cc2OC)ccc1=O)C(C)C	218345667	OMIKUHMRCKOSGS-SFHVURJKSA-N	391.399	1.372	70	50	GDIA	
O=C1NCCc2cc(NS(=O)(=O)c3cccc(S(=O)(=O)F)c3)ccc21	864243622	PRKWOGCDUIOEPS-UHFFFAOYSA-N	384.410	1.432	70	50	GDIA	
Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@H](Cc1ccncc1)C1CC(O)C1	218661748	NNZIJGPJSSMJSO-JXQTWKCFSA-N	384.889	1.437	70	50	GDIA	
Cc1cc(=O)c(O)c([C@@H](CC(N)=O)c2cc3cccc4c3n(c2=O)CCC4)o1	217887340	QESOUQYVDASCFI-AWEZNQCLSA-N	380.400	1.922	70	50	GDIA	biogenic
Cn1ccn2ncc(C(=O)N3CCn4nc([C@@H](O)c5ccccc5)cc4C3)c12	218740860	UJLZXESMKQXKBT-SFHVURJKSA-N	376.420	1.607	70	50	GDIA	
COc1ccc2c(c1OC)C(=O)N1[C@@H](C(=O)NCc3cccn3C)CS[C@H]21	218486541	OOAQTPKRXFOVOC-BFUOFWGJSA-N	387.461	1.929	70	50	GDIA	
CN(C)[C@H](C(=O)NCc1nnnn1-c1ccccc1)c1ccc2c(c1)OCO2	218599887	HWWZFEHVJVPRSJ-SFHVURJKSA-N	380.408	1.310	70	50	GDIA	
O=C(Cn1cc(Br)cn1)Nc1cncc(OS(=O)(=O)F)c1	1875387552	MXNMLGLNJKJPFF-UHFFFAOYSA-N	379.167	1.272	70	50	GDIA	
COC(=O)[C@@H](NC(=O)Cn1nc(-c2ccc(OC)cc2F)ccc1=O)C(C)C	218256299	QRHBPIMNXOYXGA-SFHVURJKSA-N	391.399	1.372	70	50	GDIA	
COc1ccc([C@H]2CC(=O)Oc3ccc(C(C)=O)c(O)c32)cc1OCC(N)=O	217601536	XLFYTVFLUUFUFC-CYBMUJFWSA-N	385.372	1.909	70	50	GDIA	biogenic
CCc1cc(N2CCn3nc([C@H](O)c4nccn4C)cc3C2)nc(N(C)C)n1	218528089	POJXZQCCFAIQLF-KRWDZBQOSA-N	382.472	1.137	70	50	GDIA	
COCc1cc(=O)c(O)c([C@H](CC(N)=O)c2cc3cccc4c3n(c2=O)CC4)o1	217813594	ITNRWLQMNAYAMP-CQSZACIVSA-N	396.399	1.370	70	50	GDIA	biogenic
O=C(CCN1Cc2ccccc2C1=O)N[C@@H]1CCOC[C@H]1OCc1ccccn1	218666111	AMKJQTUVCCMNAT-WOJBJXKFSA-N	395.459	1.918	70	50	GDIA	
COCCn1c(C)cc(C)c(C(=O)Nc2nc(C)c(C(=O)OC)s2)c1=O	218569910	GOSQRNMXDGBUCO-UHFFFAOYSA-N	379.438	1.915	70	50	GDIA	
CN(C)C(=O)C[C@H](O)c1cc2n(n1)CCN(Cc1ccc3ccccc3n1)C2	218426267	AEUSOKISTCTFMC-FQEVSTJZSA-N	379.464	1.959	70	50	GDIA	
Cc1cc(C)n(CCNC(=O)CC[C@@H]2NC(=O)N(Cc3ccccc3)C2=O)n1	218225038	WGGDBGYGDBQMNP-KRWDZBQOSA-N	383.452	1.517	70	50	GDIA	
CS(=O)(=O)c1ccc(C2(C(=O)NCCSc3cnn[nH]3)CCC2)cc1	218284892	HLWDZXJRCBWCEA-UHFFFAOYSA-N	380.495	1.538	70	50	GDIA	
Cc1cc(C)nc(N[C@H](Cc2ccccc2)C(=O)NCCN2CCOCC2)n1	218125303	RWOMETWJLBVGQO-LJQANCHMSA-N	383.496	1.565	70	50	GDIA	
COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)NCC3CCOCC3)CS[C@H]21	218061088	BZGYMBVHMRSPOC-ORAYPTAESA-N	392.477	1.816	70	50	GDIA	biogenic
COC(=O)CCS(=O)(=O)Nc1cccc2cc(S(=O)(=O)F)ccc12	1875387879	BVCZNWLHNGXHBU-UHFFFAOYSA-N	375.399	1.803	70	50	GDIA