smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CC[C@H](C)[C@H](NC(=O)CCCN1C(=O)c2cccnc2C1=O)c1nc2ccccc2[nH]1	218274202	XLBQXCBUNNLVJR-LIRRHRJNSA-N	419.485	3.238	70	50	HGIA	
COc1ccc(-c2nnc3sc(Cn4cnc(Cl)c4Cl)nn23)cc1OC	218175320	GGZFBDGWUGTRPT-UHFFFAOYSA-N	411.274	3.422	70	50	HGIA	
COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1ccc2c(C)cc(=O)oc2c1	217603127	JWJCVIYSPYPDPU-QGZVFWFLSA-N	409.394	3.359	70	50	HGIA	biogenic
COc1cc(OC)c(OC)c([C@H](c2sc3nc(C)nn3c2O)N2CCCC2)c1	218523484	ZWHDUKRKPJOTGH-OAHLLOKOSA-N	404.492	3.016	70	50	HGIA	
COc1ccc2cc(NC(=O)c3c(C)cc(C)n(C[C@@H]4CCCO4)c3=O)cnc2c1	218457880	NUTWCXIGBPQWAB-IBGZPJMESA-N	407.470	3.453	70	50	HGIA	
CC(C)[C@H](NC(=O)c1ccc(Cl)cc1-n1cnnn1)c1nc2ccccc2n1C	218443784	FQOVCMFMUQOTKZ-SFHVURJKSA-N	409.881	3.330	70	50	HGIA	
Cn1c(CCCCCNC(=O)c2ccc(Cl)cc2-n2cnnn2)nc2ccccc21	218481417	IWWHYRONNXJAJS-UHFFFAOYSA-N	423.908	3.345	70	50	HGIA	
COC(=O)C[C@@H](c1ccccc1OC)c1oc(CN2CCCCC2)cc(=O)c1O	217635476	MKTVLLJINBIAJL-KRWDZBQOSA-N	401.459	3.035	70	50	HGIA	biogenic
COc1cc2c(cc1OC)CC(=O)N(CC(=O)N1CCCC[C@H]1c1cccnc1)C=C2	218022130	SARJRQGFVLGOCU-FQEVSTJZSA-N	421.497	3.208	70	50	HGIA	biogenic
CC(C)n1nnc(-c2ccc(C(=O)Nc3n[nH]c(CCc4ccccc4)n3)cc2)n1	218563665	KJOSUBPYFGDBSO-UHFFFAOYSA-N	402.462	3.077	70	50	HGIA	
CC(C)OCCCNC(=O)CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12	217665437	CBOWFNWZSYUGSW-QFIPXVFZSA-N	421.497	3.123	70	50	HGIA	biogenic
CC[C@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)N[C@@H](C)C(=O)OC)C12CCCCC2	217854251	UPHVXNJYKQZXPR-BXWFABGCSA-N	400.519	3.405	70	50	HGIA	biogenic
CC(C)CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)Nc1ccc(O)cc1	218114907	UBRGPOGRFBUBFD-HSZRJFAPSA-N	407.470	3.356	70	50	HGIA	biogenic
CCc1ccc(N2C(=O)[C@@H]3[C@@H](C(=O)c4ccc(C)cc4)N4CCC[C@@H]4[C@@H]3C2=O)cc1	217591677	ONUBWOOSJJPPIG-MLNNCEHLSA-N	402.494	3.393	70	50	HGIA	
COc1ccccc1CCN1C[C@H](C(=O)Nc2ccc(C(F)(F)F)nc2)CC1=O	218195409	YGIDWIDKPSERNL-CQSZACIVSA-N	407.392	3.139	70	50	HGIA	
O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)Nc1nccs1	217934150	ZJENNKFAJIBPFO-GOSISDBHSA-N	404.451	3.287	70	50	HGIA	biogenic
O=C(CC1(n2cccc2)CCOCC1)N1CCN(Cc2ccccc2Cl)CC1	218386363	NBHSJRJHNCCHIK-UHFFFAOYSA-N	401.938	3.382	70	50	HGIA	
COC(=O)C[C@H](c1c(O)c2ccccc2oc1=O)c1coc2ccc(OC)cc2c1=O	217656633	RWKONMHUVNXHLZ-AWEZNQCLSA-N	422.389	3.309	70	50	HGIA	biogenic
CC(C)c1nc2cc(NC(=O)[C@H]3CC(=O)N(CCc4ccc(O)cc4)C3)ccc2[nH]1	217779819	ANCLRUHJVJWCSU-INIZCTEOSA-N	406.486	3.422	70	50	HGIA	biogenic
COC(=O)C[C@H](c1ccc(OC)c(OC)c1OC)c1c(O)c2ccccc2oc1=O	217929244	AIILWHFXPZFAFE-CQSZACIVSA-N	414.410	3.219	70	50	HGIA	biogenic
COc1ccc(-c2cc(C(=O)NC[C@@H]3CCCN4CCCC[C@H]34)n(C)n2)cc1OC	217613903	VUVUAKGBDKCXAB-PKOBYXMFSA-N	412.534	3.099	70	50	HGIA	biogenic
Cc1cc(C)n(C[C@@H]2CCCO2)c(=O)c1C(=O)NCCc1nc(C(C)C)cs1	218518974	DCCXXPQSINQZKH-INIZCTEOSA-N	403.548	3.197	70	50	HGIA	
Cc1nn(C)c(C)c1-c1cc(C(=O)N[C@H](c2nc3ccccc3n2C)C(C)C)[nH]n1	218421708	HHYONIDEFQGDIT-FQEVSTJZSA-N	405.506	3.441	70	50	HGIA	
Cc1nc2sc([C@H](c3ccccc3)N3CCN(c4ccccn4)CC3)c(O)n2n1	218121406	SGDVYDBLHKMJJB-SFHVURJKSA-N	406.515	3.111	70	50	HGIA	
CC(C)(C)OC(=O)NC[C@H]1CCCN(Cc2ccc(OS(=O)(=O)F)cc2)C1	1875387669	RPNFWFUUPYQWOB-OAHLLOKOSA-N	402.488	3.016	70	50	HGIA	
N#Cc1cc(C(=O)c2cc(F)ccc2OS(=O)(=O)F)cn(C2CCCCC2)c1=O	1875374257	HNDPZEDGRVQDEY-UHFFFAOYSA-N	422.409	3.188	70	50	HGIA	
CC(C)[C@H](NC(=O)CCn1cnc2ccccc2c1=O)c1nc2ccccc2n1C	218428164	QJLMQQAGJHCBII-NRFANRHFSA-N	403.486	3.187	70	50	HGIA	
CC1(C)CCc2cc(Cc3[nH][nH]c(=O)c3[C@@H](CC(N)=O)c3ccccc3)ccc2O1	218438220	XRFXEOKYNDWDLA-SFHVURJKSA-N	405.498	3.405	70	50	HGIA	
CC(C)n1c(CCNC(=O)Cn2cc(-c3ccccc3)ncc2=O)nc2ccccc21	218571145	URSXYIYREXOBGH-UHFFFAOYSA-N	415.497	3.200	70	50	HGIA	
CC(C)CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)Nc1ccc(O)cc1	218114836	UBRGPOGRFBUBFD-QHCPKHFHSA-N	407.470	3.356	70	50	HGIA	biogenic
COCCn1cc(CC(=O)Nc2n[nH]c(Cc3ccc(OC)cc3)n2)c2ccccc21	218492376	XAXLBFXFAXUEMF-UHFFFAOYSA-N	419.485	3.186	70	50	HGIA	
COc1ccc([C@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)cc1OC	217925159	NIUNGLZRBXXNHI-CYBMUJFWSA-N	424.405	3.468	70	50	HGIA	biogenic
COC(=O)c1ccc([C@@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)cc1	218092570	KTISUMUOKZYGQQ-AWEZNQCLSA-N	422.389	3.237	70	50	HGIA	biogenic
CC1(C)C[C@H](n2[nH]c(=O)c3c2NC(=O)CS[C@H]3c2ccc(F)cc2F)CCO1	218190828	HDUABQUIAWIRSY-BZNIZROVSA-N	409.458	3.359	70	50	HGIA	
COC(=O)c1nc(NC(=O)[C@@H]2N3C(=O)c4ccccc4[C@@H]3SC2(C)C)sc1C	218448658	XFNCUVDWKXRAHR-BBRMVZONSA-N	417.512	3.225	70	50	HGIA	
COc1cc([C@@H](CC(N)=O)c2oc(C)cc(=O)c2O)ccc1OCCc1ccccc1	217597798	DAKGTNAYSQMKGI-GOSISDBHSA-N	423.465	3.291	70	50	HGIA	biogenic
CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1nc2ccccc2n1C	218371115	LQUXWKQIFIHESI-GCJKJVERSA-N	404.514	3.435	70	50	HGIA	
Cc1cc(C)n(C[C@H]2CCCO2)c(=O)c1C(=O)Nc1nc(-c2ccccn2)cs1	218568748	IGUWNOHSFQPVME-OAHLLOKOSA-N	410.499	3.415	70	50	HGIA	
COc1ccc2cc([C@H]3CC(=O)Oc4c3c(=O)oc3ccccc43)c(=O)n(C)c2c1	217775552	NZFLDDBBJFGCGX-OAHLLOKOSA-N	403.390	3.095	70	50	HGIA	biogenic
COC(=O)c1nc(NC(=O)[C@H]2N3C(=O)c4ccccc4[C@@H]3SC2(C)C)sc1C	218448725	XFNCUVDWKXRAHR-CJNGLKHVSA-N	417.512	3.225	70	50	HGIA	
COc1ccc(N2C[C@H](C(=O)N3CCCC[C@H]3c3cccnc3)CC2=O)c(OC)c1	218062406	QITRPVZRWPTOIY-MJGOQNOKSA-N	409.486	3.206	70	50	HGIA	biogenic
Cc1sc2nc(C)n(CCC(=O)NC[C@@H]3CCCN4CCCC[C@H]34)c(=O)c2c1C	217762392	NPIOYZSTVVAYJO-ZWKOTPCHSA-N	416.591	3.154	70	50	HGIA	biogenic
[N-]=[N+]=NCCOCCOCCOCCC(=O)Oc1c(F)c(F)c(F)c(F)c1F	110715777	ZBZNPFUVVAAJIK-UHFFFAOYSA-N	413.299	3.038	70	50	HGIA	
Cn1ccc2c(NC(=O)CC[C@@H]3NC(=O)N(CCc4ccccc4)C3=O)cccc21	217815502	FIIPHIQGSSXIEF-IBGZPJMESA-N	404.470	3.060	70	50	HGIA	biogenic
Cc1cc(C)n(C[C@H]2CCCO2)c(=O)c1C(=O)NCCc1nc(C(C)C)cs1	218519061	DCCXXPQSINQZKH-MRXNPFEDSA-N	403.548	3.197	70	50	HGIA	
O=C(Nc1ccc(OS(=O)(=O)F)cc1)[C@@H]1CCCn2cc(C(F)(F)F)nc21	1875388318	WJBLLJCXHZCKGH-LLVKDONJSA-N	407.345	3.011	70	50	HGIA	
CC(C)(C)OC(=O)NCCC1CCN(Cc2ccc(OS(=O)(=O)F)cc2)CC1	1875387407	GLIWETGJXOJMHU-UHFFFAOYSA-N	416.515	3.407	70	50	HGIA	
CC[C@@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)N[C@@H](C)C(=O)OC)C12CCCCC2	217854331	UPHVXNJYKQZXPR-GJYPPUQNSA-N	400.519	3.405	70	50	HGIA	biogenic
O=C(CC[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)Nc1cccc2ncccc12	218136769	JATZDRGDMOIJKL-FQEVSTJZSA-N	402.454	3.117	70	50	HGIA	
COc1ccccc1CCN1C[C@@H](C(=O)Nc2ccc(C(F)(F)F)cn2)CC1=O	218408176	FDXSQAQEILRGCY-AWEZNQCLSA-N	407.392	3.139	70	50	HGIA	
CC1=NC(=S)C(=P(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)N1	100297669	UKAVKOXPVXQKEH-UHFFFAOYSA-N	402.459	3.029	70	50	HGIA	
O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)NCc1ccco1	217897033	QJHGMNASFKRYMZ-QFIPXVFZSA-N	415.449	3.491	70	50	HGIA	biogenic
COc1ccc2c(c1)cc([C@H]1CC(=O)Oc3cc(C)oc(=O)c31)c(=O)n2CC(C)C	218009507	QYOCXGBDERKFSN-MRXNPFEDSA-N	409.438	3.369	70	50	HGIA	biogenic
O=C(Nc1ccc(OS(=O)(=O)F)cc1)[C@H]1CCCn2cc(C(F)(F)F)nc21	1875388319	WJBLLJCXHZCKGH-NSHDSACASA-N	407.345	3.011	70	50	HGIA	
COc1ccc(CCNC(=O)C[C@@H]2NC(=O)N(c3cccc4ccccc34)C2=O)cc1	218494876	SLJZYRCELQQSFR-FQEVSTJZSA-N	417.465	3.022	70	50	HGIA	
COC(=O)C[C@@H](c1cccnc1)c1c(Cc2ccc3c(c2)CCC(C)(C)O3)[nH][nH]c1=O	217678111	JSXGTIWBJBMYPL-SFHVURJKSA-N	421.497	3.487	70	50	HGIA	biogenic
CCCCN1C(=O)c2ccccc2[C@@H](C(=O)N[C@@H](C)C(=O)OC)C12CCCCC2	217833221	ZBAAAWJZXOWRAL-LPHOPBHVSA-N	400.519	3.407	70	50	HGIA	biogenic
COC(=O)C[C@H](c1c(O)c2ccccc2oc1=O)c1cc2cccc3c2n(c1=O)CC3	217750855	PYFMCGCZXCSFAQ-INIZCTEOSA-N	417.417	3.065	70	50	HGIA	biogenic
O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)Nc1nccs1	217934218	ZJENNKFAJIBPFO-SFHVURJKSA-N	404.451	3.287	70	50	HGIA	biogenic
COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1ccc2c(C)cc(=O)[nH]c2c1	218416172	YVGGMINVUADYKQ-KRWDZBQOSA-N	408.410	3.094	70	50	HGIA	
COc1ccccc1-n1cc(C(=O)Nc2n[nH]c(C(C)C)n2)c2ccccc2c1=O	218233570	OFFBDTCKHDQBIL-UHFFFAOYSA-N	403.442	3.493	70	50	HGIA	
Cc1cc(C)n(C[C@@H]2CCCO2)c(=O)c1C(=O)Nc1nc(-c2ccccn2)cs1	218568661	IGUWNOHSFQPVME-HNNXBMFYSA-N	410.499	3.415	70	50	HGIA	
C[C@H]1CN(Cc2ccc(OS(=O)(=O)F)cc2)CC[C@H]1NC(=O)OC(C)(C)C	1875387715	UJGZHANRDBHQSQ-XJKSGUPXSA-N	402.488	3.015	70	50	HGIA	
Cn1nccc1[C@@H]1CC(=O)Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c21	217649786	ZTPUNKYCEWNKSN-ZDUSSCGKSA-N	404.378	3.046	70	50	HGIA	biogenic
CC(C)C[C@H](NC(=O)CCCn1nnc2ccccc2c1=O)c1nc2ccccc2[nH]1	218141302	ZVEZUOOGUTWSBH-FQEVSTJZSA-N	418.501	3.352	70	50	HGIA	
COC(=O)[C@H](C)NC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)C12CCCCC2	217844340	JRBXWHGRGVFCGA-QFBILLFUSA-N	400.519	3.263	70	50	HGIA	biogenic
COC(=O)C[C@@H](c1c(O)c2ccccc2oc1=O)c1cc2ccccc2n(C)c1=O	217720424	UVFOGDWLDLRAEE-OAHLLOKOSA-N	405.406	3.046	70	50	HGIA	biogenic
COC(=O)C[C@H](c1ccc(O)cc1)c1c(O)cc(C)n(CCc2ccc(O)cc2)c1=O	217800088	FQMWLWXVOYDTIY-HXUWFJFHSA-N	423.465	3.211	70	50	HGIA	biogenic
COc1ccc(N2C(=O)[C@@H]3[C@@H](C(=O)c4ccc(Cl)cc4)N4CCC[C@@H]4[C@@H]3C2=O)cc1	217474450	USJLSKUJLJCMPX-FYQPLNBISA-N	424.884	3.184	70	50	HGIA	
COC(=O)C[C@@H](c1cccc(O)c1)c1c(O)cc(C)n(CCc2ccc(O)cc2)c1=O	217733707	KKMJSQLDDOGIKT-FQEVSTJZSA-N	423.465	3.211	70	50	HGIA	biogenic
COC(=O)c1nc(NC(=O)[C@@H]2N3C(=O)c4ccccc4[C@H]3SC2(C)C)sc1C	218448805	XFNCUVDWKXRAHR-XJKSGUPXSA-N	417.512	3.225	70	50	HGIA	
COc1ccccc1CCN1C[C@H](C(=O)Nc2ccc(C(F)(F)F)cn2)CC1=O	218408085	FDXSQAQEILRGCY-CQSZACIVSA-N	407.392	3.139	70	50	HGIA	
COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)Nc3ccc4[nH]ccc4c3)C2=O)cc1	217827714	NZCXDQKHSKOYOU-FQEVSTJZSA-N	420.469	3.058	70	50	HGIA	biogenic
O=C1N[C@@H]2[C@H](CCCCC(=O)Oc3c(F)c(F)c(F)c(F)c3F)SC[C@@H]2N1	100042450	DKTMDBQDSYQUEV-LEJLMFORSA-N	410.364	3.013	70	50	HGIA	
Cn1cc([C@H]2CC(=O)Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c32)cn1	217871430	VLQPPEJFZRJGAU-CQSZACIVSA-N	404.378	3.046	70	50	HGIA	biogenic
CC(C)CCn1cnc2ccc(NC(=O)CCN3Cc4ccccc4C3=O)cc2c1=O	218494985	MLPWAPWNGYAFFP-UHFFFAOYSA-N	418.497	3.427	70	50	HGIA	
COc1ccc([C@@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)cc1OC	217925062	NIUNGLZRBXXNHI-ZDUSSCGKSA-N	424.405	3.468	70	50	HGIA	biogenic
CN(CCc1ccccc1)[C@@H]1CCN(C(=O)Nc2ccc(OS(=O)(=O)F)cc2)C1	1875388396	ZPZFPGHAEORVNI-GOSISDBHSA-N	421.494	3.060	70	50	HGIA	
COc1ccc([C@H](c2sc3ncnn3c2O)N2CCCCC2)c(OC)c1OC	218607024	MOORAAHWKSACEE-CQSZACIVSA-N	404.492	3.098	70	50	HGIA	
COc1ccc2c(c1)cc([C@@H]1CC(=O)Oc3cc(C)oc(=O)c31)c(=O)n2CC(C)C	218009420	QYOCXGBDERKFSN-INIZCTEOSA-N	409.438	3.369	70	50	HGIA	biogenic
CC(C)c1nc2cc(NC(=O)[C@@H]3CC(=O)N(CCc4ccc(O)cc4)C3)ccc2[nH]1	217779731	ANCLRUHJVJWCSU-MRXNPFEDSA-N	406.486	3.422	70	50	HGIA	biogenic
O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)NCc1ccco1	217896962	QJHGMNASFKRYMZ-JOCHJYFZSA-N	415.449	3.491	70	50	HGIA	biogenic
Cc1cc(C)nc(N[C@H](Cc2ccccc2)C(=O)NCCn2cnc3ccccc32)n1	218266885	QWOTXWXIIAWABV-OAQYLSRUSA-N	414.513	3.283	70	50	HGIA	
COC(=O)c1sc(NC(=O)[C@@H]2N3C(=O)c4ccccc4[C@@H]3SC2(C)C)nc1C	218475507	VJVDJWSFFBKDGI-BBRMVZONSA-N	417.512	3.225	70	50	HGIA	
COC(=O)C[C@@H](c1ccc(OC)cc1)c1oc(CN2CCCCC2)cc(=O)c1O	217721477	KXNNDHHUDWFVON-SFHVURJKSA-N	401.459	3.035	70	50	HGIA	biogenic
O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)NCCc1ccco1	217680070	HRSXGADIDRGTJG-QFIPXVFZSA-N	415.449	3.143	70	50	HGIA	biogenic
CN(CCc1ccccc1)[C@H]1CCN(C(=O)Nc2ccc(OS(=O)(=O)F)cc2)C1	1875388397	ZPZFPGHAEORVNI-SFHVURJKSA-N	421.494	3.060	70	50	HGIA	
O=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)Nc1nnc(C2CCCCC2)s1	218371698	RZKCVPVGGFKCPH-AWEZNQCLSA-N	417.491	3.018	70	50	HGIA	
COC(=O)C[C@@H](c1c(O)c2ccccc2oc1=O)c1coc2ccc(OC)cc2c1=O	217656567	RWKONMHUVNXHLZ-CQSZACIVSA-N	422.389	3.309	70	50	HGIA	biogenic
COC(=O)C[C@H](c1ccncc1)c1c(Cc2ccc3c(c2)CCC(C)(C)O3)[nH][nH]c1=O	217918921	JXIXCBCVMKEZMU-GOSISDBHSA-N	421.497	3.487	70	50	HGIA	biogenic
CC(C)n1c(CCCNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)nc2ccccc21	218290409	RJLHLMZYDXZGNN-QGZVFWFLSA-N	408.502	3.308	70	50	HGIA	
CCc1nc(C)sc1C(=O)NC1CCN(Cc2ccc(OC)c(OC)c2)CC1	218345787	KIPUZXCLLYQZRU-UHFFFAOYSA-N	403.548	3.426	70	50	HGIA	
Cn1nccc1[C@H]1CC(=O)Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c21	217649875	ZTPUNKYCEWNKSN-CYBMUJFWSA-N	404.378	3.046	70	50	HGIA	biogenic
O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1nc(-c2ccc(F)cc2)cs1	218200860	CHSUHURTZHKOCK-HNNXBMFYSA-N	410.430	3.029	70	50	HGIA	
CC1(C)C[C@H](n2[nH]c(=O)c3c2NC(=O)CS[C@@H]3c2ccc(F)cc2F)CCO1	218190749	HDUABQUIAWIRSY-BDJLRTHQSA-N	409.458	3.359	70	50	HGIA	
COC(=O)C[C@@H](c1ccc(O)cc1)c1c(O)cc(C)n(CCc2ccc(O)cc2)c1=O	217800175	FQMWLWXVOYDTIY-FQEVSTJZSA-N	423.465	3.211	70	50	HGIA	biogenic
COc1ccc2[nH]cc(CCNC(=O)Cn3ccc4c(NC(C)=O)cccc43)c2c1	217839721	WXJOLWTXJJQMGH-UHFFFAOYSA-N	404.470	3.449	70	50	HGIA	biogenic
COc1ccc([C@@H](c2sc3ncnn3c2O)N2CCCCC2)c(OC)c1OC	218606963	MOORAAHWKSACEE-AWEZNQCLSA-N	404.492	3.098	70	50	HGIA	
CC(C)n1c(CCCNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)nc2ccccc21	218290443	RJLHLMZYDXZGNN-KRWDZBQOSA-N	408.502	3.308	70	50	HGIA	
CC[C@H](C)N1C(=O)c2ccccc2[C@H](C(=O)N[C@@H](C)C(=O)OC)C12CCCCC2	217854096	UPHVXNJYKQZXPR-TXPKVOOTSA-N	400.519	3.405	70	50	HGIA	biogenic
COc1cc(OC)c([C@H]2CC(=O)Oc3cc(OC)c(OC)c(OC)c32)cc1OC	218102963	YYWUQNXFBMOOSY-GFCCVEGCSA-N	404.415	3.179	70	50	HGIA	biogenic
Cn1c([C@@H]2CCCN2C(=O)CCCCCNC(=O)c2cnccn2)nc2ccccc21	218546959	NZXPPFBROKTMDP-FQEVSTJZSA-N	420.517	3.017	70	50	HGIA	
Cc1csc(-c2cccc(CNC(=O)[C@H](Cc3ccccc3)n3cnnn3)c2)n1	218182476	GHDXJLUZBMAHFW-IBGZPJMESA-N	404.499	3.205	70	50	HGIA	
COc1cccc2c(O)c(C(=O)N[C@@H](CCSC)c3nnc4ccccn34)cnc12	218269269	URJRPMIGJXNTFH-HNNXBMFYSA-N	423.498	3.216	70	50	HGIA	
CC(C)[C@H](NC(=O)CCNC(=O)c1cnccn1)c1nc2ccccc2n1C(C)C	218550343	NIOHEHSKCOACLO-FQEVSTJZSA-N	408.506	3.041	70	50	HGIA	
Cc1ccc([C@H](c2sc3ncnn3c2O)N2CCN(C(=O)OC(C)(C)C)CC2)o1	218525524	MXIVCCIFWZZLEA-CQSZACIVSA-N	419.507	3.040	70	50	HGIA	
COc1cc(OC)c(OC)c([C@@H](c2sc3ncnn3c2O)N2CCCCCC2)c1	218449356	HWJFGJUFJCSFDC-INIZCTEOSA-N	418.519	3.488	70	50	HGIA	
CC(C)OCCCNC(=O)CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12	217665348	CBOWFNWZSYUGSW-JOCHJYFZSA-N	421.497	3.123	70	50	HGIA	biogenic
N#Cc1cc(C(=O)c2ccccc2OS(=O)(=O)F)cn(C2CCCCC2)c1=O	1875374549	WCIVQLRKSKCGQP-UHFFFAOYSA-N	404.419	3.049	70	50	HGIA	
O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)NCc1ccco1	217709808	QFYOODNVQAYEBU-OAQYLSRUSA-N	401.422	3.101	70	50	HGIA	biogenic
C[C@H]1CN(Cc2ccc(OS(=O)(=O)F)cc2)CC[C@@H]1NC(=O)OC(C)(C)C	1875387712	UJGZHANRDBHQSQ-BBRMVZONSA-N	402.488	3.015	70	50	HGIA	
COc1ccc([C@@H](c2sc3nc(C)nn3c2O)N2CCCC2)c(OC)c1OC	218240250	PEYHHXXCZGKCMT-AWEZNQCLSA-N	404.492	3.016	70	50	HGIA	
O=C(CN1C(=O)c2ccccc2Sc2ncccc21)NCC(=O)c1ccccc1	218126880	AVHQNYKJMALJRJ-UHFFFAOYSA-N	403.463	3.192	70	50	HGIA	
COc1ccc(N2C[C@H](C(=O)N[C@H](c3nc4ccccc4n3C)C(C)C)CC2=O)cc1	218225367	ONHLJZQFBRTEOK-ZHRRBRCNSA-N	420.513	3.448	70	50	HGIA	
COc1ccc(CCc2nc(NC(=O)Cc3c[nH]c4ccccc34)n[nH]2)cc1OC	218305408	RQRXUUPTJDIHDZ-UHFFFAOYSA-N	405.458	3.270	70	50	HGIA	
COc1ccccc1CN1C(=O)N[C@@H](CCC(=O)Nc2ccc3c(ccn3C)c2)C1=O	218373455	QPRZKLWREQKLQQ-SFHVURJKSA-N	420.469	3.026	70	50	HGIA	
CC[C@H](C)[C@H](NC(=O)COc1cccc(-n2cnnc2)c1)c1nc2ccccc2[nH]1	218327081	KHTYAYOMKVKTSB-BTYIYWSLSA-N	404.474	3.426	70	50	HGIA	
COCCn1c(CNC(=O)CC2(n3cccc3)CCSCC2)nc2ccccc21	218358903	IMDUMBYITYMPSE-UHFFFAOYSA-N	412.559	3.413	70	50	HGIA	
O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)Nc1nc(-c2ccccn2)cs1	218394059	HHDSQSNIQATMKB-INIZCTEOSA-N	421.482	3.044	70	50	HGIA	
COC(=O)[C@H](C)NC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)C12CCCCC2	217844270	JRBXWHGRGVFCGA-LPHOPBHVSA-N	400.519	3.263	70	50	HGIA	biogenic
CC(C)C[C@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)c1nc2ccccc2n1C	218271455	AJMACMUSLIHDRB-IBGZPJMESA-N	403.486	3.256	70	50	HGIA	
O=C(Cc1nn(Cc2ccccc2)c(=O)c2ccccc12)NCCc1ccc(O)cc1	218232249	LUFNEYWFBLAWIK-UHFFFAOYSA-N	413.477	3.052	70	50	HGIA	
O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1cccc(N2CCCCC2)c1	217881417	QQNYVTQJAYECNN-FQEVSTJZSA-N	406.486	3.146	70	50	HGIA	biogenic
CC(C)[C@H](NC(=O)COc1cccc(-n2cnnc2)c1)c1nc2ccccc2n1C	218178029	ZTUCWILTLLINBZ-NRFANRHFSA-N	404.474	3.046	70	50	HGIA	
COc1cc(NC(=O)CCN2C(=O)CC3(CCCC3)C2=O)ccc1-n1nc(C)cc1C	218316551	SMNQZBOGMHCHGV-UHFFFAOYSA-N	424.501	3.146	70	50	HGIA	
COc1ccccc1N1C[C@@H](C(=O)N[C@H](c2nc3ccccc3n2C)C(C)C)CC1=O	218171524	UEUDLIHSYUDKAH-AOMKIAJQSA-N	420.513	3.448	70	50	HGIA	
COc1ccc([C@@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)cc1O	218089103	HXQNIRXYYDFRHW-LBPRGKRZSA-N	410.378	3.165	70	50	HGIA	biogenic
Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2CCCN2[C@H]3C(=O)c2ccc(Cl)cc2)cc1	217469135	DNFVZNPHOQSYCX-FUMNGEBKSA-N	408.885	3.484	70	50	HGIA	
CS(=O)(=O)Nc1cccc2c1ccn2CC(=O)N1CCc2[nH]c3ccccc3c2C1	217881301	OPYPELMCJNBQBR-UHFFFAOYSA-N	422.510	3.079	70	50	HGIA	biogenic
CSCC[C@H](NC(=O)c1cnc2c(F)cccc2c1O)c1nnc2ccccn12	218325529	PBPSMMDOWUXIFV-HNNXBMFYSA-N	411.462	3.346	70	50	HGIA	
C[C@@H]1CN(Cc2ccc(OS(=O)(=O)F)cc2)CC[C@H]1NC(=O)OC(C)(C)C	1875387714	UJGZHANRDBHQSQ-CZUORRHYSA-N	402.488	3.015	70	50	HGIA	
CCOC(=O)c1[nH]c(C)c(C(=O)Nc2ccc3c(c2)ncn3CCCN(C)C)c1C	218125513	HQULEHVXBZNHBJ-UHFFFAOYSA-N	411.506	3.362	70	50	HGIA	
COc1ccc2[nH]c3c(c2c1)CN(C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)CC3	217769633	DQGFLDKDRGGBFV-QGZVFWFLSA-N	403.482	3.110	70	50	HGIA	biogenic
COc1ccc([C@@H](c2sc3ncnn3c2O)N2CCCCCC2)c(OC)c1OC	218491804	KQIAOMNZZAFXIM-HNNXBMFYSA-N	418.519	3.488	70	50	HGIA	
C[SiH](C)[Si]([SiH](C)C)([SiH](C)C)[Si](C)(c1ccccc1)c1ccccc1	169817780	BIRGRYGBFFJLDS-UHFFFAOYSA-N	402.911	3.102	70	50	HGIA	
COc1ccc2c(ccn2CCNC(=O)Cn2ccc3c(NC(C)=O)cccc32)c1	217756895	AIXWELYXTDAWEM-UHFFFAOYSA-N	404.470	3.379	70	50	HGIA	biogenic
CSCC[C@H](NC(=O)[C@@H]1CCCN(c2ncccn2)C1)c1nc2ccccc2n1C	218196853	NRGCJIKFNRXEMU-AEFFLSMTSA-N	424.574	3.190	70	50	HGIA	
COc1ccc(-c2cc(CNC(=O)Nc3ccc(OS(=O)(=O)F)cc3)on2)cc1	1875388191	PVPGQXIZUHPCLF-UHFFFAOYSA-N	421.406	3.265	70	50	HGIA	
COC(=O)C[C@H](c1c(O)c2ccccc2oc1=O)c1cc2ccccc2n(C)c1=O	217720342	UVFOGDWLDLRAEE-HNNXBMFYSA-N	405.406	3.046	70	50	HGIA	biogenic
O=S(=O)(F)c1ccccc1S(=O)(=O)Nc1ccccc1OCC(F)(F)F	170600431	UNPZBQQMORYBLP-UHFFFAOYSA-N	413.370	3.087	70	50	HGIA	
O=C(NC[C@@H]1CCCN2CCCC[C@H]12)[C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1	217869255	HRXDSFDFJZJLED-QMTMVMCOSA-N	407.917	3.213	70	50	HGIA	biogenic
N#CC1(c2ccc(C(F)(F)F)cc2)CCN(c2ccc(S(=O)(=O)F)nn2)CC1	1875380076	DMXBKMAFOOSREF-UHFFFAOYSA-N	414.384	3.215	70	50	HGIA	
COc1ccc([C@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)c(OC)c1	218043864	UZLGKQJHJWWPCE-CQSZACIVSA-N	424.405	3.468	70	50	HGIA	biogenic
CSCC[C@H](NC(=O)C1(c2ccccc2)CCOCC1)c1nnc2ccccn12	218185358	DUCNQLSLSNPGQE-SFHVURJKSA-N	410.543	3.388	70	50	HGIA	
CC(C)(C)c1csc(NC(=O)CC[C@@H]2NC(=O)N(Cc3cccc(F)c3)C2=O)n1	218330117	YRYUQHYMYFQRJL-AWEZNQCLSA-N	418.494	3.419	70	50	HGIA	
COc1ccc(N2C[C@@H](C(=O)N3CCCC[C@H]3c3cccnc3)CC2=O)c(OC)c1	218062492	QITRPVZRWPTOIY-HKUYNNGSSA-N	409.486	3.206	70	50	HGIA	biogenic
COC(=O)C[C@H](c1cc2ccc(OC)cc2[nH]c1=O)c1c(O)c2ccccc2oc1=O	217915645	WAMVQLUQOOANRC-OAHLLOKOSA-N	421.405	3.044	70	50	HGIA	biogenic
CC(=O)c1c2c(c3oc(=O)cc(C)c3c1O)[C@@H](c1ccc3c(c1)OCCO3)CC(=O)O2	218126820	ARUNWUBYLCCPTP-CYBMUJFWSA-N	422.389	3.222	70	50	HGIA	biogenic
Cc1ccc(Oc2ccc(OCC(=O)N3CC[C@@H](CS(=O)(=O)F)C3)cc2)cc1	2325887700	YIXUMTHFWCXXRV-MRXNPFEDSA-N	407.463	3.314	70	50	HGIA	
COC(=O)C[C@@H](c1c(O)c2ccccc2oc1=O)c1cc2cccc3c2n(c1=O)CC3	217750939	PYFMCGCZXCSFAQ-MRXNPFEDSA-N	417.417	3.065	70	50	HGIA	biogenic
O=C(c1ccc(Cl)cc1-n1cnnn1)N1CCC(c2nc3ccccc3[nH]2)CC1	218431284	IRERDTPBIKFXJI-UHFFFAOYSA-N	407.865	3.212	70	50	HGIA	
CSCC[C@H](NC(=O)Cc1csc(-n2cccc2)n1)c1nnc2ccccn12	218164583	FKLKCRQDZARPQN-HNNXBMFYSA-N	412.544	3.130	70	50	HGIA	
COc1ccccc1CCN1C[C@@H](C(=O)Nc2ccc(C(F)(F)F)nc2)CC1=O	218195473	YGIDWIDKPSERNL-AWEZNQCLSA-N	407.392	3.139	70	50	HGIA	
COc1ccccc1N1C[C@H](C(=O)N[C@H](c2nc3ccccc3n2C)C(C)C)CC1=O	218171441	UEUDLIHSYUDKAH-ZHRRBRCNSA-N	420.513	3.448	70	50	HGIA	
CC1(C)C[C@@H](n2[nH]c(=O)c3c2NC(=O)CS[C@@H]3c2ccc(F)cc2F)CCO1	218190881	HDUABQUIAWIRSY-MEDUHNTESA-N	409.458	3.359	70	50	HGIA	
Nc1ccc(Br)c(C(=O)Nc2ccc(OS(=O)(=O)F)cc2)c1F	1875387873	BOVSSZRVVNOCBZ-UHFFFAOYSA-N	407.192	3.016	70	50	HGIA	
COc1cc(OC)c(OC)c([C@H](c2sc3ncnn3c2O)N2CCCCCC2)c1	218449431	HWJFGJUFJCSFDC-MRXNPFEDSA-N	418.519	3.488	70	50	HGIA	
COC(=O)c1sc(NC(=O)[C@H]2N3C(=O)c4ccccc4[C@@H]3SC2(C)C)nc1C	218475589	VJVDJWSFFBKDGI-CJNGLKHVSA-N	417.512	3.225	70	50	HGIA	
O=S(=O)(Oc1ccc(OS(=O)(=O)C(F)(F)F)c2ccccc12)C(F)(F)F	101094317	WUQONKZHJZYVAX-UHFFFAOYSA-N	424.296	3.297	70	50	HGIA	
COC(=O)C[C@H](c1ccccc1OC)c1oc(CN2CCCCC2)cc(=O)c1O	217635561	MKTVLLJINBIAJL-QGZVFWFLSA-N	401.459	3.035	70	50	HGIA	biogenic
CC(C)C[C@H](NC(=O)CCCN1C(=O)c2cccnc2C1=O)c1nc2ccccc2[nH]1	218356532	VMSRJFUUGRLJRX-SFHVURJKSA-N	419.485	3.238	70	50	HGIA	
CC(C)C[C@H](NC(=O)[C@@H]1CCCN(c2ncccn2)C1)c1nc2ccccc2n1C	218399885	BEMNPMQFJAFCHC-MJGOQNOKSA-N	406.534	3.483	70	50	HGIA	
COc1cc([C@@H]2CC(=O)Oc3cc(C)n(CCc4ccc(O)cc4)c(=O)c32)ccc1O	218114450	ONFNJWUWVAZVQP-SFHVURJKSA-N	421.449	3.260	70	50	HGIA	biogenic
COC(=O)C[C@H](c1cccc(O)c1)c1c(O)cc(C)n(CCc2ccc(O)cc2)c1=O	217733631	KKMJSQLDDOGIKT-HXUWFJFHSA-N	423.465	3.211	70	50	HGIA	biogenic
O=C(NCc1ccccc1Br)Nc1ccc(OS(=O)(=O)F)cc1	1875387558	NDORVDDSDNEECF-UHFFFAOYSA-N	403.229	3.364	70	50	HGIA	
COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H](C(=O)c3ccccc3)N3CCC[C@@H]3[C@@H]2C1=O	217571254	DGCKMEPKTUBWJY-TTYHFUOFSA-N	424.884	3.184	70	50	HGIA	
CC(C)(C)OC(=O)NC[C@@H]1CCCN(Cc2ccc(OS(=O)(=O)F)cc2)C1	1875387668	RPNFWFUUPYQWOB-HNNXBMFYSA-N	402.488	3.016	70	50	HGIA	
O=C1N[C@@H](CCC(=O)N2CCCC[C@H]2c2cccnc2)C(=O)N1Cc1ccccc1	218050222	QZRHDYOPQQXQSV-PMACEKPBSA-N	406.486	3.036	70	50	HGIA	biogenic
COc1ccc2cc([C@@H]3CC(=O)Oc4c3c(=O)oc3ccccc43)c(=O)n(C)c2c1	217775462	NZFLDDBBJFGCGX-HNNXBMFYSA-N	403.390	3.095	70	50	HGIA	biogenic
O=C1N[C@@H](CCC(=O)N2CCCC[C@H]2c2cccnc2)C(=O)N1CCc1ccccc1	218126417	UFPSAPHFKJSCOY-SFTDATJTSA-N	420.513	3.079	70	50	HGIA	biogenic
COc1cc([C@H]2CC(=O)Oc3cc(C)n(CCc4ccc(O)cc4)c(=O)c32)ccc1O	218114543	ONFNJWUWVAZVQP-GOSISDBHSA-N	421.449	3.260	70	50	HGIA	biogenic
COC(=O)c1nc(NC(=O)[C@H]2N3C(=O)c4ccccc4[C@H]3SC2(C)C)sc1C	218448890	XFNCUVDWKXRAHR-CZUORRHYSA-N	417.512	3.225	70	50	HGIA	
O=S(=O)(Oc1cccc2c(OS(=O)(=O)C(F)(F)F)cccc12)C(F)(F)F	101777155	IFHGSECJTKJJIJ-UHFFFAOYSA-N	424.296	3.297	70	50	HGIA	in-vitro
COCCn1c([C@H](C)NC(=O)c2cc(=O)n(C)c3ccccc23)nc2ccccc21	218237271	JWQJYNZRSUMGAI-HNNXBMFYSA-N	404.470	3.026	70	50	HGIA	
O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)NCCc1ccco1	217679987	HRSXGADIDRGTJG-JOCHJYFZSA-N	415.449	3.143	70	50	HGIA	biogenic
O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)NCc1ccco1	217709893	QFYOODNVQAYEBU-NRFANRHFSA-N	401.422	3.101	70	50	HGIA	biogenic
COc1cc2c(c(OC)c1OC)[C@H](c1cc3cccc4c3n(c1=O)CC4)CC(=O)O2	217950114	NCMZOTWCBVBGLG-AWEZNQCLSA-N	407.422	3.024	70	50	HGIA	biogenic
COc1ccc([C@H]2CC(=O)Oc3cc(OC)c(OC)c(OC)c32)c(OC)c1OC	218000511	CAWJVAIIPLSLQN-GFCCVEGCSA-N	404.415	3.179	70	50	HGIA	biogenic
Cc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@@H](c1ccc3c(c1)OCO3)CC(=O)O2	217966983	GUVXAWJXJRHDNX-GOSISDBHSA-N	419.433	3.275	70	50	HGIA	biogenic
O=C(C[C@@H]1NC(=O)N(Cc2ccccc2Cl)C1=O)Nc1cccc2ncccc12	218203033	HXDRTYYCUULMKP-SFHVURJKSA-N	408.845	3.337	70	50	HGIA	
CC(C)(C)OC(=O)N1CCN([C@@H](c2ccsc2)c2sc3ncnn3c2O)CC1	218551893	ANQIUZRTSDZSBR-ZDUSSCGKSA-N	421.548	3.200	70	50	HGIA	
Cc1ccc(Oc2ccc(OCC(=O)N3CC[C@H](CS(=O)(=O)F)C3)cc2)cc1	2325887699	YIXUMTHFWCXXRV-INIZCTEOSA-N	407.463	3.314	70	50	HGIA	
COc1ccc2cc([C@@H]3CC(=O)Oc4cc(OC)c(OC)c(OC)c43)c(=O)[nH]c2c1	218056048	YHBSLPCGJBAYOX-ZDUSSCGKSA-N	411.410	3.004	70	50	HGIA	biogenic
COc1cccc2c(O)c(C(=O)N3CCC(NC(=O)OC(C)(C)C)CC3)cnc12	218419335	YMNDWHHRZSWRHV-UHFFFAOYSA-N	401.463	3.078	70	50	HGIA	
COc1ccc2ncc(C(=O)N[C@@H](CCSC)c3nnc4ccccn34)c(O)c2c1	218125415	JSKMNKLRZAZDFW-KRWDZBQOSA-N	423.498	3.216	70	50	HGIA	
CCOC(=O)Cc1csc(NC(=O)c2c3c(nc4c2cnn4C(C)C)CCC3)n1	218521270	JKNPCVVZURIXPC-UHFFFAOYSA-N	413.503	3.315	70	50	HGIA	
O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)NCCc1ccccc1	217710140	GJUOHBGPBIQJDF-HSZRJFAPSA-N	411.461	3.160	70	50	HGIA	biogenic
Cc1cc(C)nc(N[C@H](Cc2ccccc2)C(=O)NCc2nc3ccccc3[nH]2)n1	218333203	IBHBYNQTXNPZHP-HXUWFJFHSA-N	400.486	3.309	70	50	HGIA	
COc1cn(CC(=O)Nc2ccc3[nH]c(CCc4ccccc4)nc3c2)c(C)cc1=O	218221027	QXGGUOGNLRVTDB-UHFFFAOYSA-N	416.481	3.466	70	50	HGIA	
Cc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)NCc2nc3ccccc3n2C)n1	218406514	RQWAHWCBONKNIE-FQEVSTJZSA-N	414.513	3.320	70	50	HGIA	
COc1cc([C@@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)ccc1O	217913797	XLIGJQREVYPGDE-LBPRGKRZSA-N	410.378	3.165	70	50	HGIA	biogenic
COC(=O)[C@H](CCSC)NC(=O)c1cccc(-c2cc3ccccc3oc2=O)c1	217701455	HMDRSXLEKGWHHC-SFHVURJKSA-N	411.479	3.485	70	50	HGIA	biogenic
COC(=O)C[C@@H](c1ccc(F)c(F)c1)c1oc(CN2CCCCC2)cc(=O)c1O	218120848	CQYDTCINLMRQQT-HNNXBMFYSA-N	407.413	3.305	70	50	HGIA	
Cc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)NCCn2cnc3ccccc32)n1	218266947	QWOTXWXIIAWABV-NRFANRHFSA-N	414.513	3.283	70	50	HGIA	
COc1ccc([C@H](c2sc3nc(C)nn3c2O)N2CCCCC2)c(OC)c1OC	218357291	KKQUQECPIFGRAH-OAHLLOKOSA-N	418.519	3.406	70	50	HGIA	
O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1nc(-c2ccc(F)cc2)cs1	218333513	GYNSSBCIFNFWDG-INIZCTEOSA-N	424.457	3.419	70	50	HGIA	
CC(=O)c1c2c(c3oc(=O)cc(C)c3c1O)[C@H](c1ccc3c(c1)OCO3)CC(=O)O2	218003030	JMWFBLNOMJGIIY-LBPRGKRZSA-N	408.362	3.179	70	50	HGIA	biogenic
O=C(C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)NC1CCCCCCC1	218377084	AGHQDJSQEJLMMT-FQEVSTJZSA-N	410.518	3.250	70	50	HGIA	
COc1cccc2c1ccn2CCNC(=O)Cn1ccc2c(NC(C)=O)cccc21	218388985	QUHGKVSJHBLERI-UHFFFAOYSA-N	404.470	3.379	70	50	HGIA	
COc1cc(OC)c(OC)c([C@@H](c2sc3nc(C)nn3c2O)N2CCCC2)c1	218523398	ZWHDUKRKPJOTGH-HNNXBMFYSA-N	404.492	3.016	70	50	HGIA	
Cc1nc2sc([C@@H](c3ccccc3)N3CCN(c4ccccn4)CC3)c(O)n2n1	218121329	SGDVYDBLHKMJJB-GOSISDBHSA-N	406.515	3.111	70	50	HGIA	
COC(=O)C[C@@H](c1ccncc1)c1c(Cc2ccc3c(c2)CCC(C)(C)O3)[nH][nH]c1=O	217919012	JXIXCBCVMKEZMU-SFHVURJKSA-N	421.497	3.487	70	50	HGIA	biogenic
O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)NCCc1ccccc1	217710223	GJUOHBGPBIQJDF-QHCPKHFHSA-N	411.461	3.160	70	50	HGIA	biogenic
COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1ccc2c(C)cc(=O)oc2c1	217603200	JWJCVIYSPYPDPU-KRWDZBQOSA-N	409.394	3.359	70	50	HGIA	biogenic
COC(=O)C[C@H](c1cc(OC)c(OC)cc1OC)c1c(O)c2ccccc2oc1=O	217932017	HETIVHCNRGVMJR-CQSZACIVSA-N	414.410	3.219	70	50	HGIA	biogenic
COc1cc(OC)c([C@@H]2CC(=O)Oc3cc(OC)c(OC)c(OC)c32)cc1OC	218102895	YYWUQNXFBMOOSY-LBPRGKRZSA-N	404.415	3.179	70	50	HGIA	biogenic
CC(C)C[C@H](NC(=O)[C@H]1CCCN(c2ncccn2)C1)c1nc2ccccc2n1C	218399986	BEMNPMQFJAFCHC-HKUYNNGSSA-N	406.534	3.483	70	50	HGIA	
COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1ccc2c(C)cc(=O)[nH]c2c1	218416088	YVGGMINVUADYKQ-QGZVFWFLSA-N	408.410	3.094	70	50	HGIA	
COc1ccc2cc(NC(=O)c3c(C)cc(C)n(C[C@H]4CCCO4)c3=O)cnc2c1	218457953	NUTWCXIGBPQWAB-LJQANCHMSA-N	407.470	3.453	70	50	HGIA	
COc1ccc([C@@H](c2sc3nc(C)nn3c2O)N2CCCCC2)c(OC)c1OC	218357226	KKQUQECPIFGRAH-HNNXBMFYSA-N	418.519	3.406	70	50	HGIA	
O=C(CC1(n2cccc2)CCOCC1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1	218319109	ILZGDIGMLUBSSA-UHFFFAOYSA-N	422.451	3.147	70	50	HGIA	
CC(C)[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1nc2ccccc2n1C(C)C	218410078	ZCGFUHHBZRAYEU-NRFANRHFSA-N	418.501	3.236	70	50	HGIA	
CC[C@H](C)[C@H](NC(=O)Cn1nc2c(cc1=O)CCCCC2)c1nc2ccccc2[nH]1	218142021	ZVYDJVUQKAUSES-NYHFZMIOSA-N	407.518	3.292	70	50	HGIA	
COC(=O)C[C@H](c1c(O)cc(C)oc1=O)c1cc2ccccc2n(CC(C)C)c1=O	217990820	SNZYZKROFUFQQI-INIZCTEOSA-N	411.454	3.320	70	50	HGIA	biogenic
COc1cn(CC(=O)Nc2n[nH]c([C@H](C)c3ccc(CC(C)C)cc3)n2)c(C)cc1=O	218535176	ZUVLNBWCTHKUHZ-MRXNPFEDSA-N	423.517	3.272	70	50	HGIA	
COCCn1c([C@H](C)NC(=O)Cc2ccc3c(c2)OCCCO3)nc2ccccc21	218314577	RXOVZKVPKBUUCY-INIZCTEOSA-N	409.486	3.264	70	50	HGIA	
COc1ccc(-c2n[nH]c(C)c2CC(=O)Nc2n[nH]c(Cc3ccc(F)cc3)n2)cc1	218553616	OCIOHGADTMRQRR-UHFFFAOYSA-N	420.448	3.423	70	50	HGIA	
COc1ccccc1CN1C(=O)N[C@@H](CCC(=O)Nc2ccc3ccn(C)c3c2)C1=O	218223264	RBSWFCQGWWDOIT-SFHVURJKSA-N	420.469	3.026	70	50	HGIA	
CCCCN1C(=O)c2ccccc2[C@H](C(=O)N[C@@H](C)C(=O)OC)C12CCCCC2	217833156	ZBAAAWJZXOWRAL-QFBILLFUSA-N	400.519	3.407	70	50	HGIA	biogenic
CC[C@@H](C)N1C(=O)c2ccccc2[C@H](C(=O)N[C@@H](C)C(=O)OC)C12CCCCC2	217854173	UPHVXNJYKQZXPR-JTDSTZFVSA-N	400.519	3.405	70	50	HGIA	biogenic
CC(C)n1c(CCNC(=O)[C@@H](C)n2cnc3ccccc3c2=O)nc2ccccc21	218477621	BGPGKNGEKOSNPM-MRXNPFEDSA-N	403.486	3.247	70	50	HGIA	
COC(=O)C[C@@H](c1c(O)cc(C)oc1=O)c1cc2ccccc2n(CC(C)C)c1=O	217990905	SNZYZKROFUFQQI-MRXNPFEDSA-N	411.454	3.320	70	50	HGIA	biogenic
COc1ccccc1CN1C(=O)N[C@@H](CCC(=O)Nc2ccc3[nH]ccc3c2)C1=O	218183251	UWRLCKHEHFTKBG-SFHVURJKSA-N	406.442	3.016	70	50	HGIA	
COc1ccc(N2C[C@@H](C(=O)N[C@H](c3nc4ccccc4n3C)C(C)C)CC2=O)cc1	218225432	ONHLJZQFBRTEOK-AOMKIAJQSA-N	420.513	3.448	70	50	HGIA	
CC(C)[C@H](NC(=O)CCCCCNC(=O)c1cnccn1)c1nc2ccccc2[nH]1	218457380	BEBINVGUNUMSKD-FQEVSTJZSA-N	408.506	3.157	70	50	HGIA	
CSCC[C@H](NC(=O)c1cnc2ccc(F)cc2c1O)c1nnc2ccccn12	218287991	KJZGVZGJNJNXQK-INIZCTEOSA-N	411.462	3.346	70	50	HGIA	
COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)N1CCSCC1)C(=O)OC2	217894879	BGUNMKPDFXIUIQ-YIXHJXPBSA-N	405.516	3.224	70	50	HGIA	biogenic
O=C(NCCCCCC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1)c1cnccn1	218523191	RDODSARENMMDMN-IBGZPJMESA-N	406.490	3.007	70	50	HGIA	
CC(C)C[C@H](NC(=O)Cn1cnc2ccccc2c1=O)c1nc2ccccc2n1C	218391893	JVKIQSOZAADYSW-IBGZPJMESA-N	403.486	3.187	70	50	HGIA	
CC1(C)C[C@@H](n2[nH]c(=O)c3c2NC(=O)CS[C@H]3c2ccc(F)cc2F)CCO1	218190953	HDUABQUIAWIRSY-ZBEGNZNMSA-N	409.458	3.359	70	50	HGIA	
COc1ccc(-c2cc(C(=O)NC[C@@H]3CCCN4CCCC[C@H]34)n(C)n2)c(OC)c1	217639079	MQBBIEKHQOAWIV-OXJNMPFZSA-N	412.534	3.099	70	50	HGIA	biogenic
COc1cc([C@H](CC(N)=O)c2oc(C)cc(=O)c2O)ccc1OCCc1ccccc1	217597722	DAKGTNAYSQMKGI-SFHVURJKSA-N	423.465	3.291	70	50	HGIA	biogenic
Cc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@H](c1ccc3c(c1)OCO3)CC(=O)O2	217966901	GUVXAWJXJRHDNX-SFHVURJKSA-N	419.433	3.275	70	50	HGIA	biogenic
COc1ccc2[nH]c(=O)c([C@@H]3CC(=O)Oc4cc(OC)c(OC)c(OC)c43)cc2c1	217944275	NOVRVCJJXORFDF-ZDUSSCGKSA-N	411.410	3.004	70	50	HGIA	biogenic
CC[C@H](C)[C@H](NC(=O)CCCn1nnc2ccccc2c1=O)c1nc2ccccc2[nH]1	218424969	AADOBAHOUMJBJZ-BTYIYWSLSA-N	418.501	3.352	70	50	HGIA	
CC(=O)c1c2c(c3oc(=O)cc(C)c3c1O)[C@H](c1ccc3c(c1)OCCO3)CC(=O)O2	218126732	ARUNWUBYLCCPTP-ZDUSSCGKSA-N	422.389	3.222	70	50	HGIA	biogenic
COc1ccc([C@@H]2CC(=O)Oc3cc(C)n(CCc4ccc(O)cc4)c(=O)c32)cc1O	218058184	VFSQYMKEXKANSS-SFHVURJKSA-N	421.449	3.260	70	50	HGIA	biogenic
COc1ccc([C@H](c2sc3nc(C)nn3c2O)N2CCCC2)c(OC)c1OC	218240324	PEYHHXXCZGKCMT-CQSZACIVSA-N	404.492	3.016	70	50	HGIA	
COc1ccc([C@@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)c(OC)c1	218043789	UZLGKQJHJWWPCE-AWEZNQCLSA-N	424.405	3.468	70	50	HGIA	biogenic
CSCC[C@@H](CO)NC(=O)c1cnn(-c2ccc(Cl)cc2)c1-n1cccc1	218330233	RBTZUNGRDPANTC-HNNXBMFYSA-N	404.923	3.160	70	50	HGIA	
CSCC[C@H](NC(=O)c1ccc2c(c1)NC(=O)CO2)c1nc2ccccc2n1C	218219741	XNONRFKYFZCSKV-HNNXBMFYSA-N	410.499	3.128	70	50	HGIA	
COC(=O)c1ccc([C@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)cc1	218092633	KTISUMUOKZYGQQ-CQSZACIVSA-N	422.389	3.237	70	50	HGIA	biogenic
O=c1cc(CN2CCCCC2)oc(CN2CCN(C/C=C/c3ccccc3)CC2)c1O	218348158	RCXHRYURBWISGZ-JXMROGBWSA-N	423.557	3.162	70	50	HGIA	
COc1ccc(Cc2nc(NC(=O)c3cccc(Nc4ncccn4)c3)n[nH]2)cc1	218236264	WDCBVVISTFAJQY-UHFFFAOYSA-N	401.430	3.190	70	50	HGIA	
Cc1ccc([C@@H](c2sc3ncnn3c2O)N2CCN(C(=O)OC(C)(C)C)CC2)o1	218525602	MXIVCCIFWZZLEA-AWEZNQCLSA-N	419.507	3.040	70	50	HGIA	
CCOC(=O)N1CCN(C(=O)c2csc(NCc3ccccc3Cl)n2)CC1	218385966	XUZXHIUVYJQRIC-UHFFFAOYSA-N	408.911	3.323	70	50	HGIA	
C[C@]1(C(=O)Nc2ccc(OS(=O)(=O)F)cc2)CCCN(C(=O)c2ccccc2)C1	1875388003	IZECNNQIUUGSCM-FQEVSTJZSA-N	420.462	3.161	70	50	HGIA	
O=C(N[C@H](CO)Cc1ccccc1)[C@H](c1ccccc1)N1Cc2ccccc2C1=O	217905944	MEVTZQKHWKPRLG-GMAHTHKFSA-N	400.478	3.104	70	50	HGIA	biogenic
C[C@@H]1CN(Cc2ccc(OS(=O)(=O)F)cc2)CC[C@@H]1NC(=O)OC(C)(C)C	1875387713	UJGZHANRDBHQSQ-CJNGLKHVSA-N	402.488	3.015	70	50	HGIA	
COC(=O)c1sc(NC(=O)[C@H]2N3C(=O)c4ccccc4[C@H]3SC2(C)C)nc1C	218475742	VJVDJWSFFBKDGI-CZUORRHYSA-N	417.512	3.225	70	50	HGIA	
CC1(C)CCc2cc(Cc3[nH][nH]c(=O)c3[C@H](CC(N)=O)c3ccccc3)ccc2O1	218438129	XRFXEOKYNDWDLA-GOSISDBHSA-N	405.498	3.405	70	50	HGIA	
COC(=O)C[C@H](c1ccc(OC)cc1)c1oc(CN2CCCCC2)cc(=O)c1O	217721388	KXNNDHHUDWFVON-GOSISDBHSA-N	401.459	3.035	70	50	HGIA	biogenic
COc1ccc([C@H](c2sc3ncnn3c2O)N2CCCCCC2)c(OC)c1OC	218491880	KQIAOMNZZAFXIM-OAHLLOKOSA-N	418.519	3.488	70	50	HGIA	
COc1cn(CC(=O)NCCc2nc(-c3ccc(Cl)cc3)cs2)c(C)cc1=O	218297490	NPFWOBPUSIHGFQ-UHFFFAOYSA-N	417.918	3.301	70	50	HGIA	
Cc1cc(C)nc(N[C@H](Cc2ccccc2)C(=O)NCc2nc3ccccc3n2C)n1	218406441	RQWAHWCBONKNIE-HXUWFJFHSA-N	414.513	3.320	70	50	HGIA	
CC(C)CCn1cnc2ccc(NC(=O)c3cc(-c4ccccn4)n[nH]3)cc2c1=O	218483351	TWJIQPFLYAHAPD-UHFFFAOYSA-N	402.458	3.480	70	50	HGIA	
CSCC[C@H](NC(=O)CCCn1c(C)cc(O)cc1=O)c1nc2ccccc2[nH]1	218001495	POFVTIBKPKZOFA-SFHVURJKSA-N	414.531	3.129	70	50	HGIA	biogenic
CC(C)C[C@H](NC(=O)c1cc(F)ccc1-n1cnnn1)c1nc2ccccc2n1C	218278894	HYXQMKIDNOYQKT-KRWDZBQOSA-N	407.453	3.205	70	50	HGIA	
COC(=O)C[C@@H](c1ccc(OC)c(OC)c1OC)c1c(O)c2ccccc2oc1=O	217929342	AIILWHFXPZFAFE-AWEZNQCLSA-N	414.410	3.219	70	50	HGIA	biogenic
COC(=O)c1nc(NC(=O)CC2(n3cccc3)CCOCC2)sc1CC(C)C	218222123	UNHWKIQCCMVQRH-UHFFFAOYSA-N	405.520	3.464	70	50	HGIA	
CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1nc2ccccc2n1C	218371177	LQUXWKQIFIHESI-AVRDEDQJSA-N	404.514	3.435	70	50	HGIA	
CC[C@H](C)[C@H](NC(=O)C[C@@H]1NC(=O)N(c2ccccc2)C1=O)c1nc2ccccc2[nH]1	218475404	NFFKYPFLXFHYBW-DCPHZVHLSA-N	419.485	3.281	70	50	HGIA	
CC(C)c1ccc(N2C(=O)N[C@@H](CC(=O)NCCc3c[nH]c4ccccc34)C2=O)cc1	217976446	UEKLQXWIZUKFCP-NRFANRHFSA-N	418.497	3.465	70	50	HGIA	biogenic
COc1ccc([C@@H]2CC(=O)Oc3cc(OC)c(OC)c(OC)c32)c(OC)c1OC	218000422	CAWJVAIIPLSLQN-LBPRGKRZSA-N	404.415	3.179	70	50	HGIA	biogenic
O=S(=O)(Oc1ccc2ccc(OS(=O)(=O)C(F)(F)F)cc2c1)C(F)(F)F	114184021	NWUWLVCEYBABOV-UHFFFAOYSA-N	424.296	3.297	70	50	HGIA	
COC(=O)C[C@H](c1ccc(F)c(F)c1)c1oc(CN2CCCCC2)cc(=O)c1O	218120763	CQYDTCINLMRQQT-OAHLLOKOSA-N	407.413	3.305	70	50	HGIA	
COc1cn(CC(=O)Nc2n[nH]c([C@@H](C)c3ccc(CC(C)C)cc3)n2)c(C)cc1=O	218535252	ZUVLNBWCTHKUHZ-INIZCTEOSA-N	423.517	3.272	70	50	HGIA	
COc1cc2c(c(OC)c1OC)[C@@H](c1cc3cccc4c3n(c1=O)CC4)CC(=O)O2	217950035	NCMZOTWCBVBGLG-CQSZACIVSA-N	407.422	3.024	70	50	HGIA	biogenic
Cc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)NCc2nc3ccccc3[nH]2)n1	218333282	IBHBYNQTXNPZHP-FQEVSTJZSA-N	400.486	3.309	70	50	HGIA	
CC(C)[C@H](NC(=O)Cn1nc(-c2cccs2)ccc1=O)c1nc2ccccc2n1C	218204231	UMNXMDZSBVCZJZ-NRFANRHFSA-N	421.526	3.372	70	50	HGIA	
CC(C)(C)OC(=O)N1CCN([C@H](c2ccsc2)c2sc3ncnn3c2O)CC1	218551820	ANQIUZRTSDZSBR-CYBMUJFWSA-N	421.548	3.200	70	50	HGIA	
CSCC[C@H](NC(=O)c1sc2nc[nH]c(=O)c2c1C)c1nc2ccccc2[nH]1	218509257	ULOYRHDBVKZUIW-ZDUSSCGKSA-N	413.528	3.394	70	50	HGIA	
COc1ccc2c(O)c(C(=O)N[C@@H](CCSC)c3nnc4ccccn34)cnc2c1	218326982	VQOSELJRTGQWKJ-INIZCTEOSA-N	423.498	3.216	70	50	HGIA	
COC(=O)C[C@@H](c1cc(OC)c(OC)cc1OC)c1c(O)c2ccccc2oc1=O	217932097	HETIVHCNRGVMJR-AWEZNQCLSA-N	414.410	3.219	70	50	HGIA	biogenic
CC(=O)c1c2c(c3oc(=O)cc(C)c3c1O)[C@@H](c1ccc3c(c1)OCO3)CC(=O)O2	218003117	JMWFBLNOMJGIIY-GFCCVEGCSA-N	408.362	3.179	70	50	HGIA	biogenic
COC(=O)C[C@@H](c1cc2ccc(OC)cc2[nH]c1=O)c1c(O)c2ccccc2oc1=O	217915742	WAMVQLUQOOANRC-HNNXBMFYSA-N	421.405	3.044	70	50	HGIA	biogenic
COc1ccc([C@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)cc1O	218089174	HXQNIRXYYDFRHW-GFCCVEGCSA-N	410.378	3.165	70	50	HGIA	biogenic
COc1ccc2[nH]c3c(c2c1)CN(C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)CC3	217769724	DQGFLDKDRGGBFV-KRWDZBQOSA-N	403.482	3.110	70	50	HGIA	biogenic
COc1ccc([C@H]2CC(=O)Oc3cc(C)n(CCc4ccc(O)cc4)c(=O)c32)cc1O	218058244	VFSQYMKEXKANSS-GOSISDBHSA-N	421.449	3.260	70	50	HGIA	biogenic
COc1ccc2[nH]c(=O)c([C@H]3CC(=O)Oc4cc(OC)c(OC)c(OC)c43)cc2c1	217944349	NOVRVCJJXORFDF-CYBMUJFWSA-N	411.410	3.004	70	50	HGIA	biogenic
O=C(NC[C@@H]1CCCN2CCCC[C@H]12)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1	217869335	HRXDSFDFJZJLED-YZVOILCLSA-N	407.917	3.213	70	50	HGIA	biogenic
COC(=O)C[C@H](c1cccnc1)c1c(Cc2ccc3c(c2)CCC(C)(C)O3)[nH][nH]c1=O	217678037	JSXGTIWBJBMYPL-GOSISDBHSA-N	421.497	3.487	70	50	HGIA	biogenic
O=C(Cc1ccc(S(=O)(=O)F)cc1)N1CCC(Oc2ccc(F)cc2F)CC1	1354858461	MRVVKPOVYGPHCD-UHFFFAOYSA-N	413.417	3.236	70	50	HGIA	
CSCC[C@H](NC(=O)[C@H]1CCCN(c2ncccn2)C1)c1nc2ccccc2n1C	218196935	NRGCJIKFNRXEMU-WMZOPIPTSA-N	424.574	3.190	70	50	HGIA	
COc1cc([C@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)ccc1O	217913869	XLIGJQREVYPGDE-GFCCVEGCSA-N	410.378	3.165	70	50	HGIA	biogenic
COC(=O)c1sc(NC(=O)[C@@H]2N3C(=O)c4ccccc4[C@H]3SC2(C)C)nc1C	218475671	VJVDJWSFFBKDGI-XJKSGUPXSA-N	417.512	3.225	70	50	HGIA	
C[C@@]1(C(=O)Nc2ccc(OS(=O)(=O)F)cc2)CCCN(C(=O)c2ccccc2)C1	1875388004	IZECNNQIUUGSCM-HXUWFJFHSA-N	420.462	3.161	70	50	HGIA	
COc1ccc2cc([C@H]3CC(=O)Oc4cc(OC)c(OC)c(OC)c43)c(=O)[nH]c2c1	218056097	YHBSLPCGJBAYOX-CYBMUJFWSA-N	411.410	3.004	70	50	HGIA	biogenic
Cn1cc([C@@H]2CC(=O)Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c32)cn1	217871370	VLQPPEJFZRJGAU-AWEZNQCLSA-N	404.378	3.046	70	50	HGIA	biogenic
O=C(NCc1ccsc1Br)Nc1ccc(OS(=O)(=O)F)cc1	1875382338	YLIGZZNPQIEIJR-UHFFFAOYSA-N	409.258	3.425	70	50	HGIA	
O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1ccc(Cc2ccncc2)cc1	217798699	RHBJZDDOCCODAO-NRFANRHFSA-N	414.465	3.142	70	50	HGIA	biogenic