smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
NCC(=O)N/C(=C\c1ccc(O)c(O)c1)C(=O)N/C=C/c1ccc(O)c(O)c1	140396516	OIHLMOMAFMVOQY-ROFIIMIHSA-N	385.376	0.712	10	1	GCCF	
O=C(NCCCNC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1	3814482	LLUICHYMAUMIIP-UHFFFAOYSA-N	378.337	0.470	10	1	GCCF	
N=C(N)NC=Cc1ccc2c(c1)O[C@H](NC(=N)N)[C@@H](c1ccc(O)c(O)c1)O2	2356622962	POJHWMYSBBRFBZ-CVEARBPZSA-N	384.396	0.873	10	1	GCCF	
N=C(N)NC=Cc1ccc2c(c1)O[C@@H](c1ccc(O)c(O)c1)[C@@H](NC(=N)N)O2	2356449426	MCLIKJGPKULDHY-HOTGVXAUSA-N	384.396	0.873	10	1	GCCF	
CCCOC(=O)[C@]1(O)C[C@H](O)[C@H](O)[C@@H](OC(=O)C=Cc2ccc(O)c(O)c2)C1	2356414735	PFXYXPPZEOUOSE-MRHSLFKSSA-N	396.392	0.223	10	1	GCCF	
Nc1nc(/N=N/Cc2cccs2)nc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O	169726971	RPKOJAVNWMOJKC-LTPYSJKISA-N	391.413	0.365	10	1	GCCF	
Cc1ccc(S(=O)(=O)NC[C@@H]2OC[C@H](NCc3ccccc3O)[C@@H]2O)cc1	2356286905	BDGDDLGVNLEKOY-WDSOQIARSA-N	392.477	0.897	10	1	GCCF	
Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](COC(=O)NCCCC(=O)O)O2)c(=O)[nH]c1=O	27873548	JCPUCBCEZHXIKS-AXFHLTTASA-N	396.360	0.402	10	1	GCCF	
CCC[C@@H]1O[C@H](CC(=O)O)C[C@]2(CO)C(=O)c3cccc(O)c3C(=O)[C@@]12O	2356341105	GOXSXIAIEMOZQK-JOFYSIPBSA-N	378.377	0.913	10	1	GCCF	
C[C@H](O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@H](O)C1)C(=O)c1c(O)cccc1C3=O	39394552	KDJVINVDTSBKRU-VYKXSASDSA-N	386.356	0.670	10	1	GCCF	biogenic
O=c1c2cc(O)c(O)cc2oc2cc(O)c([C@@H]3O[C@H](CO)C[C@@H](O)[C@@H]3O)cc12	2356470518	DBQUJAQZCBFIQW-PRTSBDQNSA-N	390.344	0.607	10	1	GCCF	
Nc1nc(/N=N/Cc2ccccc2)nc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O	169727017	JGEILMNKWWGJFD-WOQSITSISA-N	385.384	0.304	10	1	GCCF	
COc1c(O)c(OC)c2c(c1O)[C@@H](O)[C@H](O)[C@@H](c1cc(O)c(O)c(O)c1)O2	238741929	IUWIJWVAGAQVRL-SCDSUCTJSA-N	382.321	0.760	10	1	GCCF	
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@H](CO)O2)c(=O)n(C[C@@H]2COC(C)(C)O2)c1=O	38155813	DULBIDWSWXUCBW-MROQNXINSA-N	381.389	0.429	10	1	GCCF	
CN(C)CCNC(=O)[C@@H]1c2c(O)cccc2-n2c(=O)c3ccccc3c(=O)n21	473112074	CUZLZPZVBHZHTM-KRWDZBQOSA-N	380.404	0.439	10	1	GCCF	
O=C(O)C1=N[C@@H](C(=O)O)CC(C=CN2c3cc(O)c(O)cc3C[C@@H]2C(=O)O)=C1	2356432459	BBJUSJOGHYQDQX-DGCLKSJQSA-N	388.332	0.736	10	1	GCCF	
Cc1ccc(S(=O)(=O)NC[C@@H]2OC[C@H](NCc3ccccc3O)[C@H]2O)cc1	2356286943	BDGDDLGVNLEKOY-YTQUADARSA-N	392.477	0.897	10	1	GCCF	
CO[C@@H]1N([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(O)=NC(=O)[C@@]1(C)Br	27436240	DKNXBVBXWMIPTC-VWQVJDTCSA-N	378.183	0.655	10	1	GCCF	
CC1=C[C@@]23O[C@@H](C[C@@H]4[C@@H](C)C(=O)O[C@H]4[C@]1(O)O2)[C@H]1C(=O)O[C@@H]2C[C@](C)(O)[C@H]3[C@H]12	255284561	YJMXTIIUVZBPPQ-MPQRANKJSA-N	392.404	0.257	10	1	GCCF	
CC(=O)O[C@@H]1[C@@H](CN=[N+]=[N-])O[C@@H](n2cnc3c(N)nc(F)nc32)[C@@H]1OC(C)=O	1772648707	LVUMMJGJVFKMIK-QYVSTXNMSA-N	394.323	0.619	10	1	GCCF	
CC[C@]1(Br)C(=O)N=C(O)N([C@@H]2C[C@H](O)[C@H](CO)O2)[C@H]1N=[N+]=[N-]	5823969	XOCGUOPQZHTKCR-FMUFZJFTSA-N	378.183	0.391	10	1	GCCF	
Oc1cc(/C=C/c2ccc(O)c(O)c2)cc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c1	1857759724	DTWPNPHOFLOPRE-PRWVUHPISA-N	376.361	0.792	10	1	GCCF	
COc1cc(O)c2c(c1)C(=O)c1cc(CN(CCO)CCO)cc(O)c1C2=O	29346106	FSSSRRMRFYQFOV-UHFFFAOYSA-N	387.388	0.668	10	1	GCCF	
Cc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@H](COC(=O)CCCC(=O)O)O2)c(=O)[nH]c1=O	38145217	AICHWAOJFIZLTA-VWYCJHECSA-N	381.345	0.610	10	1	GCCF	
Cc1cc2c(c(O)c1C(=O)OC[C@@H](O)CO)C(=O)c1c(O)cc(O)cc1C2=O	39010213	WRGYUPQTNNDKAT-VIFPVBQESA-N	388.328	0.397	10	1	GCCF	biogenic
Cc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@H](COC(=O)OCCCCO)O2)c(=O)[nH]c1=O	38145254	KMLDURAWTUGXSV-WOPDTQHZSA-N	383.361	0.737	10	1	GCCF	
O=c1c2cc(O)c(O)cc2oc2cc(O)c([C@@H]3O[C@H](CO)C[C@H](O)[C@@H]3O)cc12	2356470520	DBQUJAQZCBFIQW-WHDCKLQQSA-N	390.344	0.607	10	1	GCCF	
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@H](CO)O2)cc1/N=N/NCCCc1ccccc1	17252148	OJAUZFHLIDATKU-HRCADAONSA-N	389.412	0.398	10	1	GCCF	
CCOC(Cn1c(=O)c(C)cn([C@H]2C[C@@H](N=[N+]=[N-])[C@H](CO)O2)c1=O)OCC	38154468	JFWRWEWXIIPCDR-FRRDWIJNSA-N	383.405	0.676	10	1	GCCF	
CNCc1c(OC)cc2c(c1O)C(=O)c1c(cc(OC)c(O)c1C(O)O)C2=O	85486902	DJXQVIAODJYDNW-UHFFFAOYSA-N	389.360	0.593	10	1	GCCF	biogenic,in-vitro
O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@@H](CO)O2)cc1N/N=N/CCc1ccccc1	31861062	POWSBOPPGNZVHL-ZNMIVQPWSA-N	375.385	0.199	10	1	GCCF	
Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](COC(=O)OCCCC(=O)O)O2)c(=O)[nH]c1=O	27873718	DWCYMGRPFGKESM-AXFHLTTASA-N	397.344	0.829	10	1	GCCF	
CC(=O)OC[C@H]1O[C@@H](O[N+](=O)[O-])[C@H](N=[N+]=[N-])[C@@H](OC(C)=O)[C@H]1OC(C)=O	135641027	ZJRHNHIEORAKEY-ZIQFBCGOSA-N	376.278	0.025	10	1	GCCF	biogenic
CN(C)Cc1cc(S(=O)(=O)c2ccc(S(N)(=O)=O)s2)ccc1O	1542489	RVWWILHTBSKSKO-UHFFFAOYSA-N	376.481	0.996	10	1	GCCF	
O=C1c2cccc(O)c2C(=O)c2c(O)c3c(c(O)c21)C[C@@](O)([C@@H](O)CO)CC3	472490882	CFDPRVCIBVUZSE-FKIZINRSSA-N	386.356	0.152	10	1	GCCF	
CC(=O)OC[C@H]1O[C@H](O[N+](=O)[O-])[C@H](N=[N+]=[N-])[C@@H](OC(C)=O)[C@H]1OC(C)=O	34650252	ZJRHNHIEORAKEY-RMPHRYRLSA-N	376.278	0.025	10	1	GCCF	biogenic
C[C@H](O)[C@@]1(O)Cc2c(O)c3c(c(O)c2[C@H](O)C1)C(=O)c1c(O)cccc1C3=O	39394556	KDJVINVDTSBKRU-LFUUOLANSA-N	386.356	0.670	10	1	GCCF	biogenic
CO[C@@H]1[C@H](O)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)C(=O)[C@@]1(C)O	6032180	IMBONAKHRALLLQ-MISYRCLQSA-N	384.340	0.869	10	1	GCCF	biogenic
CCC[C@@H]1O[C@H](CC(=O)O)C[C@@]2(CO)C(=O)c3cccc(O)c3C(=O)[C@]12O	2356341106	GOXSXIAIEMOZQK-KPMCRWRASA-N	378.377	0.913	10	1	GCCF	
O=c1c2cc(O)c(O)cc2oc2cc(O)c([C@@H]3O[C@H](CO)C[C@H](O)[C@H]3O)cc12	2356470519	DBQUJAQZCBFIQW-SXPSGSGZSA-N	390.344	0.607	10	1	GCCF	
O=C(O)CC[C@@H](NC(=O)c1ccc(C[C@H]2SC(=S)NC2=O)cc1)C(=O)O	72142528	YLYZZAGAENYOPS-GHMZBOCLSA-N	396.446	0.793	10	1	GCCF	
N=C(N)N/C=C/c1ccc2c(c1)O[C@H](NC(=N)N)[C@@H](c1ccc(O)c(O)c1)O2	238772705	POJHWMYSBBRFBZ-QDNWOOLPSA-N	384.396	0.873	10	1	GCCF	
CN(C)CCNC(=O)[C@H]1c2c(O)cccc2-n2c(=O)c3ccccc3c(=O)n21	473112075	CUZLZPZVBHZHTM-QGZVFWFLSA-N	380.404	0.439	10	1	GCCF	
CO[C@H]1N([C@@H]2C[C@H](N=[N+]=[N-])[C@H](CO)O2)C(=O)NC(=O)[C@]1(C)Br	5723222	DKNXBVBXWMIPTC-FNDGILDSSA-N	378.183	0.451	10	1	GCCF	
COC(=O)c1cc2c(OC)cc(OC)c(C=C3C(=O)NC(=S)NC3=O)c2[nH]1	1772630657	JUOXRCWBSSMEQU-UHFFFAOYSA-N	389.389	0.886	10	1	GCCF	
Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@H](CO)O2)c(=O)n(C[C@@H]2COC(C)(C)O2)c1=O	38155811	DULBIDWSWXUCBW-VOAKCMCISA-N	381.389	0.429	10	1	GCCF	
[N-]=[N+]=NC[C@H]1O[C@@H](n2cc(I)c(N)nc2=O)C[C@@H]1O	33487686	CNRJTAGUOWCCKJ-RRKCRQDMSA-N	378.130	0.389	10	1	GCCF	
COC(=O)[C@@H](O)[C@](C)(O)Cc1ccc2c(c1O)C(=O)c1cccc(O)c1C2=O	95563307	ZYQOVKOJTPQPJC-UYAOXDASSA-N	386.356	0.701	10	1	GCCF	
Nc1nc(/N=N/CC2=CCCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	169729380	CWKDLAQCHFSFJZ-MREAROHPSA-N	389.416	0.604	10	1	GCCF	
C[C@@H]1CC=C[C@]2(O1)O[C@@H]1CC(=O)O[C@@H]1[C@]1(O)C(=O)c3ccccc3C(=O)[C@@]21O	504209336	JKAIEKBRNSNOJC-FTVATABESA-N	386.356	0.303	10	1	GCCF	biogenic
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@H](CO)O2)cc1/N=N/NCCc1ccccc1	17252134	POWSBOPPGNZVHL-SOUVJXGZSA-N	375.385	0.008	10	1	GCCF	
O=C(OC[C@H]1O[C@@H](Oc2ccc(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1	2356734978	NAXRNCZKQQXVIW-OYNZLANYSA-N	392.360	0.141	10	1	GCCF	
O=C(O)C1=CC(=CCN2c3cc(O)c(O)cc3C[C@H]2C(=O)O)C[C@H](C(=O)O)N1	2356813788	BUNWMOMNBAQEIL-YPMHNXCESA-N	390.348	0.255	10	1	GCCF	
NCC(=O)NC(=Cc1ccc(O)c(O)c1)C(=O)NC=Cc1ccc(O)c(O)c1	2356471020	OIHLMOMAFMVOQY-UHFFFAOYSA-N	385.376	0.712	10	1	GCCF	
CCC[C@H]1O[C@H](CC(N)=O)C[C@]2(O)C(=O)c3cc(OC)cc(O)c3C(=O)[C@@]12O	299830805	PEEHMYIBRREDFW-OLNJAIPVSA-N	393.392	0.075	10	1	GCCF	
CCC[C@@H]1O[C@H](CC(N)=O)C[C@@]2(O)C(=O)c3cc(OC)cc(O)c3C(=O)[C@]12O	2356715069	PEEHMYIBRREDFW-KPMCRWRASA-N	393.392	0.075	10	1	GCCF	
Cc1ccc(C/N=N/c2nc(N)c3ncn([C@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1	169727016	JSGBJNXFPYZKPU-CARDLFJDSA-N	399.411	0.612	10	1	GCCF	
[N-]=[N+]=NCN1C(=O)[C@@H]2[C@@H](C1=O)[C@@H]1C=C[C@H]2[C@H]2[C@H]3C(=O)N(CN=[N+]=[N-])C(=O)[C@@H]3[C@H]12	195487165	SXTJRJDSPIUAOH-XRVFDCEDSA-N	382.340	0.786	10	1	GCCF	
[N-]=[N+]=NCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1[C@H]3[C@@H]2C(=O)N(CN=[N+]=[N-])C(=O)[C@@H]21	254201064	SXTJRJDSPIUAOH-CPZRQDORSA-N	382.340	0.786	10	1	GCCF	
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1N/N=N/CCc1ccccc1	17252140	POWSBOPPGNZVHL-RRFJBIMHSA-N	375.385	0.199	10	1	GCCF	
COc1cc([C@@H]2c3cc(O)c(O)cc3C[C@H](C(=O)O)[C@@]2(O)CO)ccc1O	2356378293	FFNRURPGRNCTRV-LLSQANQASA-N	376.361	0.924	10	1	GCCF	
COc1ccc([C@H](CO)[C@H](O)CO)c2oc3c(O)c(O)cc(O)c3c(=O)c12	1857609600	URDLPKQSSGHQQS-GZMMTYOYSA-N	378.333	0.501	10	1	GCCF	
O=S(=O)(NC[C@@H]1OC[C@@H](NCc2ccccc2O)[C@H]1O)c1ccccc1	2356288056	UVMVATIAXPPYOR-BPQIPLTHSA-N	378.450	0.589	10	1	GCCF	
Cc1ccc(S(=O)(=O)NC[C@@H]2OC[C@@H](NCc3ccccc3O)[C@H]2O)cc1	2356286904	BDGDDLGVNLEKOY-NZSAHSFTSA-N	392.477	0.897	10	1	GCCF	
O=c1[nH]c(=O)n([C@@H]2C[C@@H](O)[C@H](CO)O2)cc1/N=N/NCCc1ccccc1	5955992	POWSBOPPGNZVHL-ILXRZTDVSA-N	375.385	0.008	10	1	GCCF	
CO[C@@]12[C@H](COC(N)=O)c3c(O)c(/N=N/C(C)=O)c(C)c(O)c3N1C[C@@H]1N[C@@H]12	53151227	YMXWKOCVLIUILV-AQIQUUNFSA-N	391.384	0.732	10	1	GCCF	
Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](COC(=O)CCCC(=O)O)O2)c(=O)[nH]c1=O	27872397	AICHWAOJFIZLTA-AXFHLTTASA-N	381.345	0.610	10	1	GCCF	
O=C1c2c(O)ccc(O)c2-c2nn(CCO)c3ccc(NCCNCCO)c1c23	28759002	NHVLHBJDHXXZQP-UHFFFAOYSA-N	398.419	0.645	10	1	GCCF	
O=C(NCCCCNC(=O)c1ccc(O)c(O)c1O)c1ccc(O)c(O)c1O	299861232	HXJJSEHXAVFDGT-UHFFFAOYSA-N	392.364	0.860	10	1	GCCF	
O=C1N=C(S[C@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)S/C1=C\c1ccccc1	195516563	UBZUBLONEXFAER-JFCSLOKLSA-N	383.447	0.190	10	1	GCCF	
Cc1cn([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](COC(=O)c3ccc[n+](C)c3)O2)c(=O)[nH]c1=O	17176720	SYNPPQUWZKSCKW-MGPQQGTHSA-O	387.376	0.493	10	1	GCCF	
CC(C)[C@H](NC(=O)[C@@H]1N[C@@H](CN=[N+]=[N-])C[C@H]1CN=[N+]=[N-])C(=O)NCC(=O)O	96933364	FCEITKJSSNBTFX-BSJXLVFVSA-N	381.397	0.295	10	1	GCCF	
C[C@@H](/N=N/c1nc(N)c2ncn([C@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)c1ccccc1	169727008	HOWBKURSVWLIRZ-AVUWMAGWSA-N	399.411	0.865	10	1	GCCF	
COC(=O)c1cn([C@@H]2CO[C@H]3[C@H]2OC[C@H]3NCc2ccc(N(C)C)cc2)nn1	2356861285	UHKPCAQZRIULDM-TVFCKZIOSA-N	387.440	0.628	10	1	GCCF	
Oc1cc(/C=C/c2ccc(O)c(O)c2)cc(O[C@@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)c1	59587821	BTUXGSHMIZEFNQ-OEEGLERSSA-N	392.360	0.110	10	1	GCCF	biogenic,in-vitro
O=C(O)CC[C@@H](NC(=O)c1cccc(C[C@H]2SC(=S)NC2=O)c1)C(=O)O	72181568	PLWJDIZGDPQJIH-GHMZBOCLSA-N	396.446	0.793	10	1	GCCF	
CC1=C(C(N)=O)[C@@H](c2ccc(N(C)C)cc2)N2NC(SCC(N)=O)=NC2=N1	473136966	VTOJSRQCDVYOTI-CQSZACIVSA-N	387.469	0.317	10	1	GCCF	
COc1cc([C@H]2c3cc(O)c(O)cc3C[C@@H](C(=O)O)[C@]2(O)CO)ccc1O	238784944	FFNRURPGRNCTRV-OYYNGEPBSA-N	376.361	0.924	10	1	GCCF	
C[C@]1(c2ccc(C(=O)O)cc2O)c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21	963223226	PRGXRYUHUBVWEJ-YRVVQQKDSA-N	396.403	0.835	10	1	GCCF	
O=C1N=C(S[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)S/C1=C\c1ccccc1	195516564	UBZUBLONEXFAER-QUNKSGKPSA-N	383.447	0.190	10	1	GCCF	
C[C@@H]1O[C@H](Oc2ccc(Cn3c(C=O)ccc3CO)cc2)[C@H](O)[C@@H](O)[C@@H]1O	2356417386	ZUKPRTWSPHBCOQ-CJFAATLKSA-N	377.393	0.048	10	1	GCCF	
CO[C@H]1[C@H](O)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)C(=O)[C@@]1(C)O	6032194	IMBONAKHRALLLQ-YZGWKJHDSA-N	384.340	0.869	10	1	GCCF	
CN(C)Cc1cc(S(=O)(=O)c2csc(S(N)(=O)=O)c2)ccc1O	13727931	GXPUOVZWZFENNJ-UHFFFAOYSA-N	376.481	0.996	10	1	GCCF	
CCOC(=O)CCO[P@](=O)(O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O	1857609401	IRHDUOFECQFVOP-JTQLQIEISA-N	377.286	0.753	10	1	GCCF	
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)n(C[C@@H]2COC(C)(C)O2)c1=O	13605775	DULBIDWSWXUCBW-YVECIDJPSA-N	381.389	0.429	10	1	GCCF	
Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@H](CO)O2)c(=O)n(C[C@H]2COC(C)(C)O2)c1=O	38155812	DULBIDWSWXUCBW-CYDGBPFRSA-N	381.389	0.429	10	1	GCCF	
Nc1ccc(CNC(=O)NC[C@H](O)N2CCCC[C@@H]2C(=O)N2CCCC2)cc1	169688168	MTRDTWZSWNYKHF-MSOLQXFVSA-N	389.500	0.863	10	1	GCCF	
CN(C)CCCNC(=O)[C@H]1c2c(O)cccc2-n2c(=O)c3ccccc3c(=O)n21	473115888	VFLGNLVVOJKULO-GOSISDBHSA-N	394.431	0.829	10	1	GCCF	
CCCOC(=O)[C@]1(O)C[C@H](O)[C@H](O)[C@H](OC(=O)C=Cc2ccc(O)c(O)c2)C1	2356414733	PFXYXPPZEOUOSE-HIRMHNASSA-N	396.392	0.223	10	1	GCCF	
O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2C[C@@H](O)[C@@H](O)[C@H](O)CO	72179117	RSWXCMVXDJADBL-JXXFODFXSA-N	381.384	0.288	10	1	GCCF	
CCCOC(=O)[C@]1(O)C[C@H](O)[C@@H](O)[C@H](OC(=O)C=Cc2ccc(O)c(O)c2)C1	2356414734	PFXYXPPZEOUOSE-MGTHKWJCSA-N	396.392	0.223	10	1	GCCF	
C[C@H](O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O)C1)C(=O)c1c(O)cccc1C3=O	33902649	KDJVINVDTSBKRU-KVZSADQJSA-N	386.356	0.670	10	1	GCCF	biogenic
CO[C@H]1[C@H](O)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)C(=O)[C@]1(C)O	6067418	IMBONAKHRALLLQ-HOJAQTOUSA-N	384.340	0.869	10	1	GCCF	
Cc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@H](COC(=O)OCCCC(=O)O)O2)c(=O)[nH]c1=O	38145272	DWCYMGRPFGKESM-VWYCJHECSA-N	397.344	0.829	10	1	GCCF	
[N-]=[N+]=N[C@H]1C[C@H](n2cnc3c(NCCCCCO)nc(N)nc32)O[C@@H]1CO	45374020	OWTNGAGBUOQTOF-HBNTYKKESA-N	377.409	0.942	10	1	GCCF	
Cc1ccc(O)c(CNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1	28648007	JEWVHVWAODNWEN-SCFUHWHPSA-N	387.396	0.064	10	1	GCCF	
Nc1nc(/N=N/CCc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	169726993	NHPOMSDUUBJIND-DLSYGRCTSA-N	399.411	0.346	10	1	GCCF	
CO[C@@H]1N([C@@H]2C[C@H](N=[N+]=[N-])[C@H](CO)O2)C(=O)NC(=O)[C@@]1(C)Br	5723218	DKNXBVBXWMIPTC-TVCFDAGJSA-N	378.183	0.451	10	1	GCCF	
COc1c(O)c(OC)c2c(c1O)[C@H](O)[C@H](O)[C@H](c1cc(O)c(O)c(O)c1)O2	2356656511	IUWIJWVAGAQVRL-JKOKRWQUSA-N	382.321	0.760	10	1	GCCF	
CC1(C)[C@H](O)CC[C@]2(C)c3c(O)c(O)c(C(CO)CO)c(O)c3C(=O)C(=O)[C@@H]12	504466168	KTJXBZLBUASASE-NAHJVGDPSA-N	394.420	0.692	10	1	GCCF	biogenic
[N-]=[N+]=NCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2[C@H]2[C@H]3C(=O)N(CN=[N+]=[N-])C(=O)[C@@H]3[C@H]12	195487173	SXTJRJDSPIUAOH-UZXKZQATSA-N	382.340	0.786	10	1	GCCF	
[N-]=[N+]=NCN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]2C1=O)[C@H]1[C@H]2C(=O)N(CN=[N+]=[N-])C(=O)[C@@H]2[C@H]31	195487160	SXTJRJDSPIUAOH-VIXLETMSSA-N	382.340	0.786	10	1	GCCF	
Nc1nc(/N=N/CCc2ccccc2)nc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O	169726994	NHPOMSDUUBJIND-CARDLFJDSA-N	399.411	0.346	10	1	GCCF	
O=C(O)C1=N[C@H](C(=O)O)CC(C=CN2c3cc(O)c(O)cc3C[C@H]2C(=O)O)=C1	2356432458	BBJUSJOGHYQDQX-AAEUAGOBSA-N	388.332	0.736	10	1	GCCF	
Cc1ccc(C/N=N/c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1	169727015	JSGBJNXFPYZKPU-DLSYGRCTSA-N	399.411	0.612	10	1	GCCF	
CC(=O)O[C@H]1CCn2c1nc1c2C(=O)c2c(nc3n2CC[C@H]3OC(C)=O)C1=O	13915395	YUJREGITCKITCF-AOOOYVTPSA-N	384.348	0.871	10	1	GCCF	
CC(C)C[C@H](NC(=O)[C@@H]1N[C@@H](CN=[N+]=[N-])C[C@H]1CN=[N+]=[N-])C(=O)NCC(=O)O	96933370	DHIJBGYPNBQKTR-SRRSOLGSSA-N	395.424	0.685	10	1	GCCF	
CCOC(=O)Cc1c2c3c(cc(O)c(O)c3oc1=O)C(=O)O[C@@H]2C(=O)OC	1911582766	VVTSBXZKWVKPRG-AWEZNQCLSA-N	378.289	0.694	10	1	GCCF	
CCOC(Cn1c(=O)c(C)cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)c1=O)OCC	29328998	JFWRWEWXIIPCDR-UPJWGTAASA-N	383.405	0.676	10	1	GCCF	
Cc1cccc(C/N=N/c2nc(N)c3ncn([C@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1	169726978	CCLSDFJBGQLBLD-CARDLFJDSA-N	399.411	0.612	10	1	GCCF	
Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@H](COC(=O)OCCCCO)O2)c(=O)[nH]c1=O	38145252	KMLDURAWTUGXSV-SRVKXCTJSA-N	383.361	0.737	10	1	GCCF	
COC(=O)CNC(=O)[C@@H](NC(=O)[C@H]1N[C@H](CN=[N+]=[N-])C[C@@H]1CN=[N+]=[N-])C(C)C	96933363	FOXTURWICNFWCC-URBCHYCLSA-N	395.424	0.384	10	1	GCCF	
CO[C@@H]1C[C@]2(O)c3c(cc4c(c3O)C(=O)c3c(O)ccc(O)c3C4=O)O[C@@H]2O1	15147589	FMHZBPDWECZLOS-LDNBXIJLSA-N	386.312	0.878	10	1	GCCF	biogenic
O=C(O)CC[C@@H](NC(=O)c1ccc(C[C@@H]2SC(=S)NC2=O)cc1)C(=O)O	72142529	YLYZZAGAENYOPS-MNOVXSKESA-N	396.446	0.793	10	1	GCCF	
Nc1nc(/N=N/CC2=CCCCC2)nc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O	169729381	CWKDLAQCHFSFJZ-WOQSITSISA-N	389.416	0.604	10	1	GCCF	
Nc1nc(/N=N/Cc2ccsc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	169727018	WZFDMPWJGKACTJ-CISQEVMPSA-N	391.413	0.365	10	1	GCCF	
O=C1N=C(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)S/C1=C\c1ccccc1	254079763	UBZUBLONEXFAER-PHPCNYFXSA-N	383.447	0.190	10	1	GCCF	
O=C(O[C@H](Cc1ccc(O)c(O)c1)C(=O)O)[C@H](O)Cc1ccc(O)c(O)c1	13431703	VTSYCUCOACFUEN-HZPDHXFCSA-N	378.333	0.652	10	1	GCCF	biogenic,in-vitro
COc1cc(N(C)Cc2c[n+]([O-])c3nc(N)nc(N)c3n2)cc(OC)c1OC	169334026	CYNIOCQULLGDEF-UHFFFAOYSA-N	387.400	0.485	10	1	GCCF	
CNCCn1nc2c3c(c(NCCNCCO)ccc31)C(=O)c1ccncc1-2	27635375	HKWAGSOXRSJROD-UHFFFAOYSA-N	380.452	0.856	10	1	GCCF	
NC(=O)CC(=O)c1c(CC(=O)O)cc2c(c1O)C(=O)c1c(O)cccc1C2=O	14680712	PIXFQUMLCLXSMP-UHFFFAOYSA-N	383.312	0.558	10	1	GCCF	biogenic
CO[C@H]1N([C@H]2C[C@@H](N=[N+]=[N-])[C@H](CO)O2)C(O)=NC(=O)[C@]1(C)Br	38155302	DKNXBVBXWMIPTC-ZQKCAKSSSA-N	378.183	0.655	10	1	GCCF	
Cc1ccccc1C/N=N/c1nc(N)c2ncn([C@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1	169727011	SDIHVOKMHRCDIN-CARDLFJDSA-N	399.411	0.612	10	1	GCCF	
NCCn1nc2c3c(c(NCCNCCO)ccc31)C(=O)c1c(O)ccc(O)c1-2	28758879	QJEFNLCGNXGNMY-UHFFFAOYSA-N	397.435	0.611	10	1	GCCF	
N=C(N)N[C@H]1[C@H](c2ccc(O)c(O)c2)[C@H](NC(=N)N)[C@H]1c1ccc(O)c(O)c1	238734441	NYOYWIICDNSMQT-GEEKYZPCSA-N	386.412	0.093	10	1	GCCF	
O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@@H](CO)O2)cc1N/N=N/CCCc1ccccc1	31861066	OJAUZFHLIDATKU-XHSDSOJGSA-N	389.412	0.589	10	1	GCCF	
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@H](CO)O2)c(=O)n(C[C@H]2COC(C)(C)O2)c1=O	38155814	DULBIDWSWXUCBW-ZDEQEGDKSA-N	381.389	0.429	10	1	GCCF	
O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2C[C@H](O)[C@@H](O)[C@H](O)CO	72179116	RSWXCMVXDJADBL-RZQQEMMASA-N	381.384	0.288	10	1	GCCF	
NCCNCCNc1ccc2c3c(nn2CCO)-c2c(O)ccc(O)c2C(=O)c13	28757699	JKQQZBAYWXCQPS-UHFFFAOYSA-N	397.435	0.611	10	1	GCCF	
NS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccc(O)c(O)c2)C(=O)O)cc1	29477175	HKSJYMCZURFLSP-LBPRGKRZSA-N	380.378	0.171	10	1	GCCF	
O=C1c2cc(O)cc(O)c2C(=O)c2c1cc(Cc1cc(O)cc(=O)o1)[nH]c2=O	13369972	KUVGOQSPYVZAKA-UHFFFAOYSA-N	381.296	0.811	10	1	GCCF	biogenic
CN(C)/C=C1\C(=O)N(Cc2ccccc2)c2nc3c(n2[C@@H]1O)C(=O)N(C)CN3C	40465836	NBSHFMQSLYGUSX-GPZRYRNASA-N	396.451	0.846	10	1	GCCF	
Oc1cc(C=Cc2ccc(O)c(O)c2)cc(O[C@@H]2O[C@H](O)[C@H](O)[C@H](O)[C@@H]2O)c1	2356356485	BTUXGSHMIZEFNQ-XCDZQEORSA-N	392.360	0.110	10	1	GCCF	
Cn1c(=O)c2ncn(CC(=O)/N=N/c3c(O)[nH]c4ccccc34)c2n(C)c1=O	101679454	KAZSHVZINQPJLP-QZQOTICOSA-N	381.352	0.931	10	1	GCCF	
CC(=O)OC[C@H]1O[C@@H](n2cc(-c3cc(CO)on3)c(O)nc2=O)C[C@@H]1N=[N+]=[N-]	473090277	NXQKMCWZMJFLOU-YNEHKIRRSA-N	392.328	0.626	10	1	GCCF	
C[C@H](O)[C@@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O)C1)C(=O)c1c(O)cccc1C3=O	2356564964	KDJVINVDTSBKRU-MTUHSELMSA-N	386.356	0.670	10	1	GCCF	
CC(C)OC(=O)[C@]1(O)C[C@H](O)[C@H](O)[C@H](OC(=O)C=Cc2ccc(O)c(O)c2)C1	2356396620	QGDYZPKJSHSKHX-HIRMHNASSA-N	396.392	0.221	10	1	GCCF	
CC[C@@H]1OC(=O)[C@]2(C[C@@H](O)[C@H](O)[C@H](OC(=O)/C=C/c3ccc(O)c(O)c3)C2)O1	45358853	IRYOWHDAPNQFSG-WFHGNKKHSA-N	394.376	0.587	10	1	GCCF	
CO[C@@H]1N([C@@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)C(O)=NC(=O)[C@@]1(C)Br	17198146	DKNXBVBXWMIPTC-OENYITGBSA-N	378.183	0.655	10	1	GCCF	
CC(C)C(=O)N1C[C@H]2COCCN2C2(CN(Cc3ccc(O)c(O)c3)C2)C1	2356289729	YJOAWBBANZQGOZ-INIZCTEOSA-N	375.469	0.851	10	1	GCCF	
CCOC(Cn1c(=O)c(C)cn([C@H]2C[C@H](N=[N+]=[N-])[C@H](CO)O2)c1=O)OCC	38154466	JFWRWEWXIIPCDR-RWMBFGLXSA-N	383.405	0.676	10	1	GCCF	
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(COC(=O)c3ccc(O)c(O)c3)S[C@H]12	26282394	DWIONACBUWNGNL-DCHUIVQRSA-N	381.362	0.463	10	1	GCCF	
[N-]=[N+]=NCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1[C@@H]2[C@H]2C=C[C@@H]1[C@H]1C(=O)N(CN=[N+]=[N-])C(=O)[C@@H]21	254201068	SXTJRJDSPIUAOH-ZCKFKEIMSA-N	382.340	0.786	10	1	GCCF	
CC1=C(C(N)=O)[C@H](c2ccc(N(C)C)cc2)N2NC(SCC(N)=O)=NC2=N1	473136965	VTOJSRQCDVYOTI-AWEZNQCLSA-N	387.469	0.317	10	1	GCCF	
O=C1N=C(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)S/C1=C\c1ccccc1	254079752	UBZUBLONEXFAER-ICHKOACISA-N	383.447	0.190	10	1	GCCF	
CO[C@H]1N([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)C(O)=NC(=O)[C@]1(C)Br	27429712	DKNXBVBXWMIPTC-FPZFGCLGSA-N	378.183	0.655	10	1	GCCF	
Cc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@@H](COC(=O)OCCCC(=O)O)O2)c(=O)[nH]c1=O	27873705	DWCYMGRPFGKESM-MXWKQRLJSA-N	397.344	0.829	10	1	GCCF	
COC(=O)[C@@H](O)[C@@](C)(O)Cc1ccc2c(c1O)C(=O)c1cccc(O)c1C2=O	95563308	ZYQOVKOJTPQPJC-QUCCMNQESA-N	386.356	0.701	10	1	GCCF	
O=C1Oc2c(O)cccc2[C@H]2C[C@H]1[C@]1(O)C(=O)c3cccc(O)c3C(=O)[C@]21O	2356732722	RBPWWRZHWCTBKW-ILDFCORTSA-N	382.324	0.662	10	1	GCCF	
COC(=O)C1=CO[C@@H](O)[C@@H]2[C@H](OCCc3ccc(O)c(O)c3)COC(=O)C[C@H]12	40938863	NPXNCEUATMBJHB-XIANHYIHSA-N	394.376	0.610	10	1	GCCF	
O=C1Oc2c(O)cccc2[C@@]2(O)C[C@@H]1[C@]13O[C@]21C(=O)c1c(O)cccc1C3=O	238782634	AAJNAPPNFBZHCQ-DKBTWMDRSA-N	380.308	0.811	10	1	GCCF	
[N-]=[N+]=NCN1C(=O)[C@H]2[C@@H]3[C@H]([C@@H]4C=C[C@H]3[C@@H]3C(=O)N(CN=[N+]=[N-])C(=O)[C@H]43)[C@H]2C1=O	254201067	SXTJRJDSPIUAOH-MACVEKMSSA-N	382.340	0.786	10	1	GCCF	
CC(C)OC(=O)[C@]1(O)C[C@H](O)[C@H](O)[C@@H](OC(=O)C=Cc2ccc(O)c(O)c2)C1	2356396622	QGDYZPKJSHSKHX-MRHSLFKSSA-N	396.392	0.221	10	1	GCCF	
O=C(NCCCCNC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1	165705107	IBDCCYUUNKNAMQ-UHFFFAOYSA-N	392.364	0.860	10	1	GCCF	
CCC[C@@H]1O[C@H](CC(=O)O)C[C@@]2(CO)C(=O)c3cccc(O)c3C(=O)[C@@]12O	2356341107	GOXSXIAIEMOZQK-XENSBHABSA-N	378.377	0.913	10	1	GCCF	
CCOC(Cn1c(=O)c(C)cn([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c1=O)OCC	29329008	JFWRWEWXIIPCDR-XQQFMLRXSA-N	383.405	0.676	10	1	GCCF	
Nc1nc(/N=N/C[C@H]2CC=CCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	169729377	OETWUJGELQBKMU-RJQIWSLTSA-N	389.416	0.460	10	1	GCCF	
[N-]=[N+]=NCN1C(=O)[C@@H]2[C@@H](C1=O)[C@@H]1[C@@H]2[C@@H]2C=C[C@H]1[C@@H]1C(=O)N(CN=[N+]=[N-])C(=O)[C@H]21	254201065	SXTJRJDSPIUAOH-DJDLSKLQSA-N	382.340	0.786	10	1	GCCF	
O=C1NC(=S)S[C@H]1[C@@H](c1ccccc1)C(P(=O)(O)O)P(=O)(O)O	40425214	PAKPYTXPIQPTMP-SFYZADRCSA-N	397.307	0.968	10	1	GCCF	
O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2C[C@@H](O)[C@H](O)[C@H](O)CO	72179186	RSWXCMVXDJADBL-QINHECLXSA-N	381.384	0.288	10	1	GCCF	
COc1cc([C@@H]2c3cc(O)c(O)cc3C[C@@H](C(=O)O)[C@]2(O)CO)ccc1O	2356378294	FFNRURPGRNCTRV-OEPMTFCVSA-N	376.361	0.924	10	1	GCCF	
O=c1[nH]c(=O)n([C@@H]2C[C@@H](O)[C@H](CO)O2)cc1/N=N/NCCCc1ccccc1	5956004	OJAUZFHLIDATKU-PMPSAXMXSA-N	389.412	0.398	10	1	GCCF	
CO[C@@H]1N([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC(=O)[C@@]1(C)Br	6491156	DKNXBVBXWMIPTC-LJGIHTORSA-N	378.183	0.451	10	1	GCCF	
COC(=O)[C@H](O)[C@@](C)(O)Cc1ccc2c(c1O)C(=O)c1cccc(O)c1C2=O	95563310	ZYQOVKOJTPQPJC-ICSRJNTNSA-N	386.356	0.701	10	1	GCCF	
O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@H](CO)O2)cc1/N=N/NCCCc1ccccc1	6574976	OJAUZFHLIDATKU-JYJNAYRXSA-N	389.412	0.398	10	1	GCCF	
CO[C@H]1N([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(O)=NC(=O)[C@]1(C)Br	3807955	DKNXBVBXWMIPTC-IREMQWHZSA-N	378.183	0.655	10	1	GCCF	
COc1cc(O)c([C@@H]2c3[nH]cnc3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)c(OC)c1	963219621	TUNZECHKQKOTEH-ZJNRKIDTSA-N	398.419	0.980	10	1	GCCF	
C[C@@H](C(=O)O)[C@@H]1Cc2c(cc3c(c2O)CN([C@@H](CCC(=O)O)C(=O)O)C3=O)O1	13896060	LUQQOGMISYEYQI-MKCWBWRRSA-N	393.348	0.690	10	1	GCCF	
COC(=O)[C@H](O)[C@](C)(O)Cc1ccc2c(c1O)C(=O)c1cccc(O)c1C2=O	95563309	ZYQOVKOJTPQPJC-AZUAARDMSA-N	386.356	0.701	10	1	GCCF	
O=C1NC(=S)S[C@@H]1[C@H](c1ccccc1)C(P(=O)(O)O)P(=O)(O)O	40425208	PAKPYTXPIQPTMP-JGVFFNPUSA-N	397.307	0.968	10	1	GCCF	
CO[C@@H]1[C@H](O)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)C(=O)[C@]1(C)O	6067403	IMBONAKHRALLLQ-RLLQIKCJSA-N	384.340	0.869	10	1	GCCF	biogenic
OC[C@H]1O[C@@H](n2cnc3c(CCSc4nccs4)ncnc32)[C@H](O)[C@@H]1O	29126769	NYNWBFHGLPTARX-XIDUGBJDSA-N	395.466	0.229	10	1	GCCF	
Cc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@@H](COC(=O)c3ccc[n+](C)c3)O2)c(=O)[nH]c1=O	17176719	SYNPPQUWZKSCKW-MCIONIFRSA-O	387.376	0.493	10	1	GCCF	
Nc1nc(/N=N/C[C@H]2CC=CCC2)nc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O	169729379	OETWUJGELQBKMU-UXVNCUPFSA-N	389.416	0.460	10	1	GCCF	
CC(C)[C@H](NC(=O)[C@H]1N[C@H](CN=[N+]=[N-])C[C@@H]1CN=[N+]=[N-])C(=O)NCC(=O)O	96933365	FCEITKJSSNBTFX-QCZKYFFMSA-N	381.397	0.295	10	1	GCCF	
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COC(=O)OC/C=C/CO)O2)c(=O)[nH]c1=O	26818940	HOZQLNWATRZWAQ-FBUKTIRESA-N	381.345	0.513	10	1	GCCF	
O=C1N=C(S[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)S/C1=C\c1ccccc1	17260946	UBZUBLONEXFAER-VZTDLDCKSA-N	383.447	0.190	10	1	GCCF	
Cc1cn([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](COC(=O)OCCCC(=O)O)O2)c(=O)[nH]c1=O	27873714	DWCYMGRPFGKESM-GMTAPVOTSA-N	397.344	0.829	10	1	GCCF	
[N-]=[N+]=N[C@H]1C[C@H](n2cc(I)c(=O)[nH]c2=O)O[C@@H]1CO	3778857	RKFULXUNGOGTPS-RRKCRQDMSA-N	379.114	0.100	10	1	GCCF	
CS(=O)(=O)c1ccc2c3c(n(C[C@H](O)CO)c(=O)c2c1)-c1ccccc1C3=O	473167363	HZETZLGWWGUKEA-NSHDSACASA-N	399.424	0.970	10	1	GCCF	
COc1ccc([C@@H](CO)[C@H](O)CO)c2oc3c(O)c(O)cc(O)c3c(=O)c12	1857609603	URDLPKQSSGHQQS-LDYMZIIASA-N	378.333	0.501	10	1	GCCF	
CS(=O)(=O)N1CCN(/[N+]([O-])=N/Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	36380539	QQZBESDGHKUZQW-ATVHPVEESA-N	390.334	0.252	10	1	GCCF	
N=C(N)NC=Cc1ccc2c(c1)O[C@@H](c1ccc(O)c(O)c1)[C@H](NC(=N)N)O2	2356449428	MCLIKJGPKULDHY-JKSUJKDBSA-N	384.396	0.873	10	1	GCCF	
CC[C@H](C)[C@H](N)C(=O)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1N=[N+]=[N-]	3842973	QUANSGVUESEHKX-FXAPSIEYSA-N	380.405	0.728	10	1	GCCF	
O=C1Oc2c(O)cccc2[C@H]2C[C@H]1[C@@]1(O)C(=O)c3cccc(O)c3C(=O)[C@]21O	2356732723	RBPWWRZHWCTBKW-SPSJTZSLSA-N	382.324	0.662	10	1	GCCF	
CO[C@H]1N([C@H]2C[C@H](N=[N+]=[N-])[C@H](CO)O2)C(O)=NC(=O)[C@]1(C)Br	38155300	DKNXBVBXWMIPTC-JIWWRGNQSA-N	378.183	0.655	10	1	GCCF	
NS(=O)(=O)c1ccc(C(=O)N[C@H](Cc2ccc(O)c(O)c2)C(=O)O)cc1	29477179	HKSJYMCZURFLSP-GFCCVEGCSA-N	380.378	0.171	10	1	GCCF	
COc1cc(OC)c2cc(C(=O)O)[nH]c2c1C=C1C(=O)NC(=S)NC1=O	1772618661	QXQVENMHKLAAKV-UHFFFAOYSA-N	375.362	0.798	10	1	GCCF	
CS(=O)(=O)Nc1ccc(O)c(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)c1	586947708	BMSDSJZNPZPYSS-UHFFFAOYSA-N	382.423	0.954	10	1	GCCF	
CC(C)CN(C[C@H](O)C(=O)O)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O	29127857	ZOVVXQFUXIVSFR-FZMZJTMJSA-N	384.385	0.207	10	1	GCCF	
O[C@H]1CN(C2CCN(c3ccc4c(c3)OCO4)CC2)C[C@@H]1N1CCOCC1	20202893	ZUEGHKWTEFHPMY-ROUUACIJSA-N	375.469	0.761	10	1	GCCF	
COc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)ccc1OCC(N)=O	8112987	WGUSCXGABHOPHZ-WZUFQYTHSA-N	382.419	0.845	10	1	GCCF	
CC(=O)O[C@H]1CCn2c1nc1c2C(=O)c2c(nc3n2CC[C@@H]3OC(C)=O)C1=O	27707768	YUJREGITCKITCF-UWVGGRQHSA-N	384.348	0.871	10	1	GCCF	
COc1c(C)c(O)c2c(c1O)[C@H]1CO[C@@H]3[C@@H]4C[C@@H]5[C@@H](N4)[C@H]([C@@H]2N2CCO[C@H]52)N13	238781181	OXJNRSNNPQUYHM-NRZNKMDBSA-N	387.436	0.570	10	1	GCCF	
Cn1c(=O)c2c(nc3sc4c(n32)C(=O)c2c(O)ccc(O)c2C4=O)n(C)c1=O	1642059	IVLUYKYLSSTXDK-UHFFFAOYSA-N	398.356	0.133	10	1	GCCF	
COc1cc(O)c([C@H]2c3[nH]cnc3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)c(OC)c1	963219620	TUNZECHKQKOTEH-LXIYXOSZSA-N	398.419	0.980	10	1	GCCF	
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COC(=O)OCCCCO)O2)c(=O)[nH]c1=O	3842948	KMLDURAWTUGXSV-QJPTWQEYSA-N	383.361	0.737	10	1	GCCF	
O=C(NCCN1CCOCC1)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O	1772619220	KUOWKORNUXSMBH-UHFFFAOYSA-N	396.399	0.935	10	1	GCCF	
NCCNc1ccc2c3c(nn2CCNCCO)-c2c(O)ccc(O)c2C(=O)c13	28757730	RJJQNJPUAIAHGD-UHFFFAOYSA-N	397.435	0.611	10	1	GCCF	
O=C1Oc2c(O)cccc2[C@H]2C[C@H]1[C@@]1(O)C(=O)c3cccc(O)c3C(=O)[C@@]21O	2356732720	RBPWWRZHWCTBKW-FONMHXCRSA-N	382.324	0.662	10	1	GCCF	
O=C(OC[C@H]1O[C@@H](Oc2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O)c1ccccc1	14859105	NAXRNCZKQQXVIW-OGJJZOIMSA-N	392.360	0.141	10	1	GCCF	
CO[C@@H]1C[C@@]2(O)c3c(cc4c(c3O)C(=O)c3c(O)ccc(O)c3C4=O)O[C@@H]2O1	15147593	FMHZBPDWECZLOS-UTFCXKJZSA-N	386.312	0.878	10	1	GCCF	biogenic
[N-]=[N+]=N[C@]1(CO)O[C@@H](n2ccc(NCc3cccnc3)nc2=O)[C@@H](F)[C@@H]1O	149784077	DYJUAQGAZNTIJC-RMRHIDDWSA-N	377.336	0.477	10	1	GCCF	
CCCOC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1	238783873	PFXYXPPZEOUOSE-QMJYRZFGSA-N	396.392	0.223	10	1	GCCF	
COC(=O)CCC(=O)NS(=O)(=O)c1ccc(/N=N\N2CCOCC2)cc1	101481104	KQOIDTJOIHWDQJ-VLGSPTGOSA-N	384.414	0.776	10	1	GCCF	
Nc1nc(/N=N/C[C@@H]2CC=CCC2)nc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O	169729378	OETWUJGELQBKMU-MDGKIDFESA-N	389.416	0.460	10	1	GCCF	
CCC[C@@H]1O[C@H](CC(N)=O)C[C@]2(O)C(=O)c3cc(OC)cc(O)c3C(=O)[C@@]12O	2356715068	PEEHMYIBRREDFW-JOFYSIPBSA-N	393.392	0.075	10	1	GCCF	
[N-]=[N+]=N[C@@H]1C[C@@H](n2cc(I)c(=O)[nH]c2=O)O[C@@H]1CO	27075910	RKFULXUNGOGTPS-QYNIQEEDSA-N	379.114	0.100	10	1	GCCF	
Nc1nc(/N=N/Cc2ccsc2)nc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O	169727019	WZFDMPWJGKACTJ-LTPYSJKISA-N	391.413	0.365	10	1	GCCF	
Cc1cn([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](COC(=O)NCCCC(=O)O)O2)c(=O)[nH]c1=O	27873539	JCPUCBCEZHXIKS-GMTAPVOTSA-N	396.360	0.402	10	1	GCCF	
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1N/N=N/CCCc1ccccc1	17252156	OJAUZFHLIDATKU-ARFHVFGLSA-N	389.412	0.589	10	1	GCCF	
O=C(O)C[C@H](NCc1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O)C(=O)O	40392041	BLBNHNDBZQTJNT-LBPRGKRZSA-N	385.328	0.891	10	1	GCCF	
O=C1N=C(S[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)S/C1=C\c1ccccc1	17260939	UBZUBLONEXFAER-NTSKOELPSA-N	383.447	0.190	10	1	GCCF	
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COC(=O)NCCCC(=O)O)O2)c(=O)[nH]c1=O	27873557	JCPUCBCEZHXIKS-HBNTYKKESA-N	396.360	0.402	10	1	GCCF	
O=C(O)C[C@@H](NCc1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O)C(=O)O	40392044	BLBNHNDBZQTJNT-GFCCVEGCSA-N	385.328	0.891	10	1	GCCF	
CO[C@@H]1[C@@H](O)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)C(=O)[C@@]1(C)O	14855293	IMBONAKHRALLLQ-DFQSSKMNSA-N	384.340	0.869	10	1	GCCF	biogenic
CCO[C@@H]1N([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC(=O)[C@@]1(C)Br	6411115	PEXTUNYSUGCNRK-QQGIPPOESA-N	392.210	0.841	10	1	GCCF	
COC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](CCSC)NC(C)=O	40424953	OCVGCMDFLOOCFS-STQMWFEESA-N	384.454	0.556	10	1	GCCF	
COc1ccc(/N=N/c2c(N)n3nc(S(N)(=O)=O)sc3nc2=O)cc1	96907269	RALROKMGHFUAEZ-WUKNDPDISA-N	381.399	0.805	10	1	GCCF	
COc1ccc([C@@H](CO)[C@@H](O)CO)c2oc3c(O)c(O)cc(O)c3c(=O)c12	1857609601	URDLPKQSSGHQQS-KCJUWKMLSA-N	378.333	0.501	10	1	GCCF	
Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)n(C[C@@H]2COC(C)(C)O2)c1=O	29322634	DULBIDWSWXUCBW-XQHKEYJVSA-N	381.389	0.429	10	1	GCCF	
O=C1N=C(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)S/C1=C\c1ccccc1	254079757	UBZUBLONEXFAER-NGNPXGJZSA-N	383.447	0.190	10	1	GCCF	
CO[C@@H]1N([C@H]2C[C@H](N=[N+]=[N-])[C@H](CO)O2)C(O)=NC(=O)[C@@]1(C)Br	38155297	DKNXBVBXWMIPTC-LAUHIOABSA-N	378.183	0.655	10	1	GCCF	
COc1ccc(N2CCN(C(=O)CN(C)S(=O)(=O)c3c[nH]cn3)CC2)cc1	13110836	GAYOWIYCSOTLSM-UHFFFAOYSA-N	393.469	0.388	10	3	GCCF	
O=c1c2cc(O)c(O)cc2oc2cc(O)c([C@@H]3O[C@H](CO)C[C@@H](O)[C@H]3O)cc12	2356470517	DBQUJAQZCBFIQW-DJKDUFKLSA-N	390.344	0.607	10	1	GCCF	
CCOC(=O)C1=C(N)n2c(=O)c3ncccc3c(=O)n2[C@H]1c1ccccc1O	1772607342	CQVZYKXHVWHDDF-HNNXBMFYSA-N	380.360	0.557	10	1	GCCF	
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COC(=O)c3ccc[n+](C)c3)O2)c(=O)[nH]c1=O	17176722	SYNPPQUWZKSCKW-BFHYXJOUSA-O	387.376	0.493	10	1	GCCF	
CC(C)OC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1	238786728	QGDYZPKJSHSKHX-QMJYRZFGSA-N	396.392	0.221	10	1	GCCF	
CNCC(=O)Nc1ccc(NC(=O)CNC)c2c1C(=O)c1ccccc1C2=O	5996294	PSRHMTWVKZCJMJ-UHFFFAOYSA-N	380.404	0.778	10	1	GCCF	
Oc1cc(C=Cc2ccc(O)c(O)c2)cc(O[C@@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)c1	2356356487	BTUXGSHMIZEFNQ-ZSXDVEMLSA-N	392.360	0.110	10	1	GCCF	
CC(=O)O[C@@H]1CCn2c1nc1c2C(=O)c2c(nc3n2CC[C@H]3OC(C)=O)C1=O	27707773	YUJREGITCKITCF-NXEZZACHSA-N	384.348	0.871	10	1	GCCF	
Cn1c(=O)c2ncn(CC(=O)/N=N\c3c(O)[nH]c4ccccc34)c2n(C)c1=O	13544026	KAZSHVZINQPJLP-MRCUWXFGSA-N	381.352	0.931	10	1	GCCF	
N=C(N)NC=Cc1ccc2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](NC(=N)N)O2	2356449427	MCLIKJGPKULDHY-HZPDHXFCSA-N	384.396	0.873	10	1	GCCF	
COc1cc([C@@H]2c3cc(O)c(O)cc3C[C@@H](C(=O)O)[C@@]2(O)CO)ccc1O	2356378296	FFNRURPGRNCTRV-WILYLXEWSA-N	376.361	0.924	10	1	GCCF	
O=C1NC(=S)S[C@@H]1[C@@H](c1ccccc1)C(P(=O)(O)O)P(=O)(O)O	40425210	PAKPYTXPIQPTMP-HTQZYQBOSA-N	397.307	0.968	10	1	GCCF	
Cc1cccc(C/N=N/c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1	80079064	CCLSDFJBGQLBLD-DLSYGRCTSA-N	399.411	0.612	10	1	GCCF	
O=C(O)CC[C@@H](NC(=O)c1cccc(C[C@@H]2SC(=S)NC2=O)c1)C(=O)O	72181569	PLWJDIZGDPQJIH-MNOVXSKESA-N	396.446	0.793	10	1	GCCF	
CC[C@H](C)[C@@H](N)C(=O)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1N=[N+]=[N-]	38896291	QUANSGVUESEHKX-BQSNPHCVSA-N	380.405	0.728	10	1	GCCF	
Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](COC(=O)c3ccc[n+](C)c3)O2)c(=O)[nH]c1=O	17176721	SYNPPQUWZKSCKW-MJBXVCDLSA-O	387.376	0.493	10	1	GCCF	
CCOC(=O)Cc1c2c3c(cc(O)c(O)c3oc1=O)C(=O)[C@@]2(O)C(=O)OCC	1911579713	LAFGOWWTPVOXRA-GOSISDBHSA-N	392.316	0.257	10	1	GCCF	
O=C(O)C1=CC(=CCN2c3cc(O)c(O)cc3C[C@@H]2C(=O)O)C[C@@H](C(=O)O)N1	2356813787	BUNWMOMNBAQEIL-WCQYABFASA-N	390.348	0.255	10	1	GCCF	
CC[C@]1(Br)C(=O)N=C(O)N([C@@H]2C[C@H](O)[C@H](CO)O2)[C@@H]1N=[N+]=[N-]	5823972	XOCGUOPQZHTKCR-WSXAGKLTSA-N	378.183	0.391	10	1	GCCF	
COc1ccc([C@H](CO)[C@@H](O)CO)c2oc3c(O)c(O)cc(O)c3c(=O)c12	1857609602	URDLPKQSSGHQQS-KWQFWETISA-N	378.333	0.501	10	1	GCCF	
O=C(OC[C@H]1O[C@H](Oc2ccc(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1	2356734977	NAXRNCZKQQXVIW-BCDMZGRMSA-N	392.360	0.141	10	1	GCCF	
O=C(O)C1=N[C@H](C(=O)O)CC(/C=C\N2c3cc(O)c(O)cc3C[C@H]2C(=O)O)=C1	238789355	BBJUSJOGHYQDQX-ASPPQYHASA-N	388.332	0.736	10	1	GCCF	
O=S(=O)(NC[C@@H]1OC[C@H](NCc2ccccc2O)[C@H]1O)c1ccccc1	2356288058	UVMVATIAXPPYOR-RYQLBKOJSA-N	378.450	0.589	10	1	GCCF	
CO[C@@H]1N([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)C(O)=NC(=O)[C@@]1(C)Br	17198152	DKNXBVBXWMIPTC-NHJAHIAPSA-N	378.183	0.655	10	1	GCCF	
COc1c(O)c(OC)c2c(c1O)[C@H](O)[C@H](O)[C@@H](c1cc(O)c(O)c(O)c1)O2	2356656513	IUWIJWVAGAQVRL-VHRBIJSZSA-N	382.321	0.760	10	1	GCCF	
O=C(NCc1cc([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c12)c1cc(O)c(O)c(O)c1	27554513	CYXFXSMODMUFAA-UHFFFAOYSA-N	388.292	0.171	10	1	GCCF	
Cc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@@H](COC(=O)OCCCCO)O2)c(=O)[nH]c1=O	26818119	KMLDURAWTUGXSV-UTUOFQBUSA-N	383.361	0.737	10	1	GCCF	
COC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]1N[C@@H](CN=[N+]=[N-])C[C@H]1CN=[N+]=[N-])C(C)C	96933362	FOXTURWICNFWCC-JULQROHOSA-N	395.424	0.384	10	1	GCCF	
N=C(N)NC=Cc1ccc2c(c1)O[C@@H](NC(=N)N)[C@@H](c1ccc(O)c(O)c1)O2	2356622966	POJHWMYSBBRFBZ-HZPDHXFCSA-N	384.396	0.873	10	1	GCCF	
O=C(NC(=S)NC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1	5922269	JSKUEHHZHVZOTD-UHFFFAOYSA-N	380.334	0.365	10	1	GCCF	
CC[C@@H](C)[C@H](N)C(=O)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1N=[N+]=[N-]	38896289	QUANSGVUESEHKX-GIVNFFOOSA-N	380.405	0.728	10	1	GCCF	
C[C@@H]1CC=C[C@]2(O1)O[C@@H]1CC(=O)O[C@@H]1[C@@]1(O)C(=O)c3ccccc3C(=O)[C@@]21O	504209346	JKAIEKBRNSNOJC-RPENAGAXSA-N	386.356	0.303	10	1	GCCF	biogenic
C[C@@H]1O[C@H](Oc2ccc(Cn3c(C=O)ccc3CO)cc2)[C@H](O)[C@H](O)[C@@H]1O	2356417388	ZUKPRTWSPHBCOQ-JZQXSHSJSA-N	377.393	0.048	10	1	GCCF	
CC(C)OC(=O)[C@]1(O)C[C@H](O)[C@@H](O)[C@@H](OC(=O)C=Cc2ccc(O)c(O)c2)C1	2356396619	QGDYZPKJSHSKHX-BVYOLEPJSA-N	396.392	0.221	10	1	GCCF	
C[C@@H]1O[C@@H](Oc2ccc(Cn3c(C=O)ccc3CO)cc2)[C@H](O)[C@H](O)[C@H]1O	238752587	ZUKPRTWSPHBCOQ-RNTHYAPCSA-N	377.393	0.048	10	1	GCCF	
O=c1c2cc(O)c(O)cc2oc2cc(O)c([C@@H]3O[C@@H](CO)C[C@H](O)[C@H]3O)cc12	238731242	DBQUJAQZCBFIQW-QXLURYOPSA-N	390.344	0.607	10	1	GCCF	
CCOC(Cn1c(=O)c(C)cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@H](CO)O2)c1=O)OCC	38154467	JFWRWEWXIIPCDR-AGIUHOORSA-N	383.405	0.676	10	1	GCCF	
[N-]=[N+]=NCN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@H]1[C@H]2C(=O)N(CN=[N+]=[N-])C(=O)[C@@H]2[C@H]31	195487170	SXTJRJDSPIUAOH-FRLDGKEYSA-N	382.340	0.786	10	1	GCCF	
CC[C@]1(Br)C(=O)NC(=O)N([C@@H]2C[C@H](O)[C@@H](CO)O2)[C@H]1N=[N+]=[N-]	299815685	XOCGUOPQZHTKCR-YUECIMINSA-N	378.183	0.187	10	1	GCCF	
N=C(N)NC=Cc1ccc2c(c1)O[C@H](NC(=N)N)[C@H](c1ccc(O)c(O)c1)O2	2356622964	POJHWMYSBBRFBZ-HOTGVXAUSA-N	384.396	0.873	10	1	GCCF	
CCCOC(=O)[C@]1(O)C[C@H](O)[C@@H](O)[C@@H](OC(=O)C=Cc2ccc(O)c(O)c2)C1	2356414732	PFXYXPPZEOUOSE-BVYOLEPJSA-N	396.392	0.223	10	1	GCCF	
C[C@@H]1O[C@H](Oc2ccc(Cn3c(C=O)ccc3CO)cc2)[C@H](O)[C@H](O)[C@H]1O	2356417389	ZUKPRTWSPHBCOQ-MTSPLVIDSA-N	377.393	0.048	10	1	GCCF	
CCC[C@H]1O[C@H]([C@H](O)C(N)=O)C[C@]23O[C@]12C(=O)c1c(O)cc(OC)cc1C3=O	299824718	IQMIEGKPWKDDCT-CPUCHKMHSA-N	391.376	0.091	10	1	GCCF	
CC[C@]1(Br)C(=O)NC(=O)N([C@@H]2C[C@H](O)[C@@H](CO)O2)[C@@H]1N=[N+]=[N-]	299815684	XOCGUOPQZHTKCR-SSPLTPSTSA-N	378.183	0.187	10	1	GCCF	
Oc1cc(C=Cc2ccc(O)c(O)c2)cc(O[C@@H]2O[C@H](O)[C@H](O)[C@H](O)[C@H]2O)c1	2356356481	BTUXGSHMIZEFNQ-BRIYLRKRSA-N	392.360	0.110	10	1	GCCF	
C[C@@H]1O[C@H](Oc2ccc(Cn3c(C=O)ccc3CO)cc2)[C@H](O)[C@@H](O)[C@H]1O	2356417387	ZUKPRTWSPHBCOQ-DMNUTPKQSA-N	377.393	0.048	10	1	GCCF	
Nc1ccc(CNC(=O)NC[C@@H](O)N2CCCC[C@@H]2C(=O)N2CCCC2)cc1	169688167	MTRDTWZSWNYKHF-QZTJIDSGSA-N	389.500	0.863	10	1	GCCF	
CO[C@@H]1N([C@@H]2C[C@@H](N=[N+]=[N-])[C@H](CO)O2)C(O)=NC(=O)[C@@]1(C)Br	38155298	DKNXBVBXWMIPTC-GAVXTSKDSA-N	378.183	0.655	10	1	GCCF	
O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@H](CO)O2)cc1/N=N/NCCc1ccccc1	6574966	POWSBOPPGNZVHL-KKUMJFAQSA-N	375.385	0.008	10	1	GCCF	
CCOC(Cn1c(=O)c(C)cn([C@@H]2C[C@H](N=[N+]=[N-])[C@H](CO)O2)c1=O)OCC	38154465	JFWRWEWXIIPCDR-AVGNSLFASA-N	383.405	0.676	10	1	GCCF	
COc1c(C)c(O)c2c(c1O)[C@@H]1CO[C@@H]3[C@@H]4C[C@H]5[C@@H](N4)[C@H]([C@@H]2N2CCO[C@H]52)N13	22448912	OXJNRSNNPQUYHM-OPERTHDMSA-N	387.436	0.570	10	1	GCCF	
C[C@@H](/N=N/c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)c1ccccc1	169727006	HOWBKURSVWLIRZ-WPJLWADJSA-N	399.411	0.865	10	1	GCCF	
CO[C@H]1N([C@@H]2C[C@@H](N=[N+]=[N-])[C@H](CO)O2)C(O)=NC(=O)[C@]1(C)Br	38155301	DKNXBVBXWMIPTC-KENRYSMISA-N	378.183	0.655	10	1	GCCF	
Cc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)n(C[C@@H]2COC(C)(C)O2)c1=O	29322625	DULBIDWSWXUCBW-LPWJVIDDSA-N	381.389	0.429	10	1	GCCF	
Nc1ccc(CNC(=O)NC[C@H](O)N2CCCC[C@H]2C(=O)N2CCCC2)cc1	261139382	MTRDTWZSWNYKHF-ROUUACIJSA-N	389.500	0.863	10	1	GCCF	
Cc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@@H](COC(=O)NCCCC(=O)O)O2)c(=O)[nH]c1=O	27873533	JCPUCBCEZHXIKS-MXWKQRLJSA-N	396.360	0.402	10	1	GCCF	
Cc1ccccc1C/N=N/c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1	169727010	SDIHVOKMHRCDIN-DLSYGRCTSA-N	399.411	0.612	10	1	GCCF	
Cc1cccc2c1c(/N=N/C(=N)S)c(O)n2[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	299845909	LLXCYLPTSFGQEP-TZFHXUIPSA-N	396.425	0.576	10	1	GCCF	
CS(=O)(=O)Nc1ccc(O)c(-c2nc3ccc(S(N)(=O)=O)cc3[nH]2)c1	586947813	GKBMUQXEQZIUEZ-UHFFFAOYSA-N	382.423	0.954	10	1	GCCF	
Nc1nc(/N=N/Cc2cccs2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	79319274	RPKOJAVNWMOJKC-CISQEVMPSA-N	391.413	0.365	10	1	GCCF	
Cc1cn([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](COC(=O)CCCC(=O)O)O2)c(=O)[nH]c1=O	27872392	AICHWAOJFIZLTA-GMTAPVOTSA-N	381.345	0.610	10	1	GCCF	
CN(C)c1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)N3CCOCC3)O[C@@H](CO)[C@@H]1O2	95902147	DDTRWXBYMDYHEQ-PFSLXQJOSA-N	376.453	0.996	10	1	GCCF	
O=C(O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)c(O)c1)C(=O)O)c1ccc(O)cc1	49111354	GLMCNOVFVQRZNZ-RDTXWAMCSA-N	392.316	0.472	10	1	GCCF	biogenic
Cc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@@H](COC(=O)CCCC(=O)O)O2)c(=O)[nH]c1=O	27872387	AICHWAOJFIZLTA-MXWKQRLJSA-N	381.345	0.610	10	1	GCCF	
O=C(O)C1=N[C@H](C(=O)O)CC(/C=C/N2c3cc(O)c(O)cc3C[C@H]2C(=O)O)=C1	64622547	BBJUSJOGHYQDQX-WODDMCJRSA-N	388.332	0.736	10	1	GCCF	in-vitro
O=C(O)C1=CC(=CCN2c3cc(O)c(O)cc3C[C@H]2C(=O)O)C[C@@H](C(=O)O)N1	2356813785	BUNWMOMNBAQEIL-AAEUAGOBSA-N	390.348	0.255	10	1	GCCF	
O=C(O)C1=CC(=CCN2c3cc(O)c(O)cc3C[C@@H]2C(=O)O)C[C@H](C(=O)O)N1	2356813786	BUNWMOMNBAQEIL-DGCLKSJQSA-N	390.348	0.255	10	1	GCCF	
CC[C@@]1(Br)C(=O)N=C(O)N([C@@H]2C[C@@H](O)[C@@H](CO)O2)[C@@H]1N=[N+]=[N-]	17214643	XOCGUOPQZHTKCR-VGVCMWPDSA-N	378.183	0.391	10	1	GCCF	
O=c1[nH]c(=O)n([C@@H]2C[C@@H](O)[C@@H](CO)O2)cc1/N=N\NCCc1ccccc1	105520024	POWSBOPPGNZVHL-KFWWJZLASA-N	375.385	0.008	10	1	GCCF	
Cc1cn(C[C@H]2C[C@H](N=[N+]=[N-])[C@@H](COC(=O)c3ccncc3)O2)c(=O)[nH]c1=O	29123102	KFVVYTDKFNSAMT-HZSPNIEDSA-N	386.368	0.933	10	1	GCCF	
CCOC(=O)Cc1c2c3c(cc(O)c(O)c3oc1=O)C(=O)[C@]2(O)C(=O)OCC	1911579714	LAFGOWWTPVOXRA-SFHVURJKSA-N	392.316	0.257	10	1	GCCF	
Oc1cc(C=Cc2ccc(O)c(O)c2)cc(O[C@@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@H]2O)c1	2356356483	BTUXGSHMIZEFNQ-IEWDOMPSSA-N	392.360	0.110	10	1	GCCF	
CCOC(Cn1c(=O)c(C)cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c1=O)OCC	13605779	JFWRWEWXIIPCDR-YNEHKIRRSA-N	383.405	0.676	10	1	GCCF	
O=C1C(=O)C(=O)C2(NC3(CC3)Cc3ccc(Br)cc32)C(=O)C1=O	961752909	WJLCVBDZOFRUKT-UHFFFAOYSA-N	376.162	0.182	10	1	GCCF	
CO[C@H]1N([C@@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)C(O)=NC(=O)[C@]1(C)Br	27429709	DKNXBVBXWMIPTC-RZBPYSQRSA-N	378.183	0.655	10	1	GCCF	
CO[C@@H]1N([C@H]2C[C@@H](N=[N+]=[N-])[C@H](CO)O2)C(O)=NC(=O)[C@@]1(C)Br	38155299	DKNXBVBXWMIPTC-OPHUWQHGSA-N	378.183	0.655	10	1	GCCF	
N=C(N)NC=Cc1ccc2c(c1)O[C@@H](NC(=N)N)[C@H](c1ccc(O)c(O)c1)O2	2356622969	POJHWMYSBBRFBZ-JKSUJKDBSA-N	384.396	0.873	10	1	GCCF	
[N-]=[N+]=NC[C@H]1O[C@@H](n2cc(I)c(=O)[nH]c2=O)C[C@@H]1O	33494018	OPXZSYBBLPCQGG-RRKCRQDMSA-N	379.114	0.100	10	1	GCCF	
CO[C@H]1N([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(O)=NC(=O)[C@]1(C)Br	27429717	DKNXBVBXWMIPTC-NCGICRJXSA-N	378.183	0.655	10	1	GCCF	
CN(C)/C=C1\C(=O)N(Cc2ccccc2)c2nc3c(n2[C@H]1O)C(=O)N(C)CN3C	40465838	NBSHFMQSLYGUSX-BJRSVTDJSA-N	396.451	0.846	10	1	GCCF	
Nc1ccc(CNC(=O)NC[C@@H](O)N2CCCC[C@H]2C(=O)N2CCCC2)cc1	261139383	MTRDTWZSWNYKHF-ZWKOTPCHSA-N	389.500	0.863	10	1	GCCF	
COc1c(O)c(OC)c2c(c1O)[C@H](O)[C@@H](O)[C@@H](c1cc(O)c(O)c(O)c1)O2	2356656514	IUWIJWVAGAQVRL-ZKYQVNSYSA-N	382.321	0.760	10	1	GCCF	
C[C@H](/N=N/c1nc(N)c2ncn([C@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)c1ccccc1	169727009	HOWBKURSVWLIRZ-RSXYHOSFSA-N	399.411	0.865	10	1	GCCF	
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COC(=O)OC/C=C\CO)O2)c(=O)[nH]c1=O	95557087	HOZQLNWATRZWAQ-YFXGRDGWSA-N	381.345	0.513	10	1	GCCF	
COc1c(O)c(OC)c2c(c1O)[C@H](O)[C@@H](O)[C@H](c1cc(O)c(O)c(O)c1)O2	2356656512	IUWIJWVAGAQVRL-SUHUHFCYSA-N	382.321	0.760	10	1	GCCF	
Nc1nc(/N=N/CC2CCCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	80817211	FLKLBEIFDXKPBA-MREAROHPSA-N	391.432	0.684	10	1	GCCF	
Cc1cccc2c1c(/N=N/C(=N)S)c(O)n2[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O	299845911	LLXCYLPTSFGQEP-UCYSFKIKSA-N	396.425	0.576	10	1	GCCF	
Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](COC(=O)OCCCCO)O2)c(=O)[nH]c1=O	26818128	KMLDURAWTUGXSV-TUAOUCFPSA-N	383.361	0.737	10	1	GCCF	
CC(C)C[C@H](NC(=O)[C@@H]1N[C@@H](CN=[N+]=[N-])C[C@H]1CN=[N+]=[N-])C(=O)NCC(N)=O	96933360	MNSKYKFWLSTIJP-SRRSOLGSSA-N	394.440	0.086	10	1	GCCF	
CC(C)OC(=O)[C@]1(O)C[C@H](O)[C@@H](O)[C@H](OC(=O)C=Cc2ccc(O)c(O)c2)C1	2356396621	QGDYZPKJSHSKHX-MGTHKWJCSA-N	396.392	0.221	10	1	GCCF	
CC1(C)OC(=O)[C@@]2(C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c3ccc(O)c(O)c3)C2)O1	40874095	BGAXFHHCXMTPMW-HGQXDNSISA-N	394.376	0.587	10	1	GCCF	
Cc1cccc2c1c(/N=N/C(=N)S)c(O)n2[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O	299845905	LLXCYLPTSFGQEP-GONAGASGSA-N	396.425	0.576	10	1	GCCF	
O=C(O)C1=N[C@@H](C(=O)O)CC(C=CN2c3cc(O)c(O)cc3C[C@H]2C(=O)O)=C1	2356432460	BBJUSJOGHYQDQX-YPMHNXCESA-N	388.332	0.736	10	1	GCCF	
CC[C@]1(Br)C(=O)N=C(O)N([C@@H]2C[C@@H](O)[C@@H](CO)O2)[C@H]1N=[N+]=[N-]	17214645	XOCGUOPQZHTKCR-NEBGFLKFSA-N	378.183	0.391	10	1	GCCF	
O=C1NC(=S)S[C@H]1[C@H](c1ccccc1)C(P(=O)(O)O)P(=O)(O)O	40425212	PAKPYTXPIQPTMP-YUMQZZPRSA-N	397.307	0.968	10	1	GCCF	
C[C@H](N)C(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)C=[N+]=[N-]	40405789	UFLVBAHRXSEHDC-KWQFWETISA-N	386.193	0.535	10	1	GCCF	
Cc1cccc2c1c(/N=N/C(=N)S)c(O)n2[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	299845907	LLXCYLPTSFGQEP-KOKJTCHZSA-N	396.425	0.576	10	1	GCCF	
Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@H](COC(=O)OCCCC(=O)O)O2)c(=O)[nH]c1=O	38145270	DWCYMGRPFGKESM-DCAQKATOSA-N	397.344	0.829	10	1	GCCF	
CCOC(Cn1c(=O)c(C)cn([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)c1=O)OCC	29329003	JFWRWEWXIIPCDR-JHJVBQTASA-N	383.405	0.676	10	1	GCCF	
Cn1c(=O)c2ncn(CC(=O)N=Nc3c(O)[nH]c4ccccc34)c2n(C)c1=O	253993166	KAZSHVZINQPJLP-UHFFFAOYSA-N	381.352	0.931	10	1	GCCF	
CCOC(=O)[C@H]1OC(=O)c2cc(O)c(O)c(O)c2[C@@H]1[C@H](CC(=O)O)C(=O)O	1857637201	OSPNNMJLZFISCD-FPJKPFLJSA-N	384.293	0.165	10	1	GCCF	
Cc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@H](COC(=O)NCCCC(=O)O)O2)c(=O)[nH]c1=O	38145246	JCPUCBCEZHXIKS-VWYCJHECSA-N	396.360	0.402	10	1	GCCF	
COC(=O)c1cn([C@@H]2CO[C@@H]3[C@H](NCc4ccc(N(C)C)cc4)CO[C@@H]32)nn1	2356861283	UHKPCAQZRIULDM-BRSBDYLESA-N	387.440	0.628	10	1	GCCF	
Nc1nc(/N=N/Cc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	82169999	JGEILMNKWWGJFD-MREAROHPSA-N	385.384	0.304	10	1	GCCF	
C[C@H](/N=N/c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)c1ccccc1	169727007	HOWBKURSVWLIRZ-NTFUMZOUSA-N	399.411	0.865	10	1	GCCF	
Cc1cn([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](COC(=O)OCCCCO)O2)c(=O)[nH]c1=O	26818124	KMLDURAWTUGXSV-IJLUTSLNSA-N	383.361	0.737	10	1	GCCF	
COc1cc([C@@H]2c3cc(O)c(O)cc3C[C@H](C(=O)O)[C@]2(O)CO)ccc1O	2356378295	FFNRURPGRNCTRV-QHLBDZCJSA-N	376.361	0.924	10	1	GCCF	
CCC[C@H]1O[C@H]([C@@H](O)C(N)=O)C[C@]23O[C@]12C(=O)c1c(O)cc(OC)cc1C3=O	299824723	IQMIEGKPWKDDCT-PDLPKXIKSA-N	391.376	0.091	10	1	GCCF	
CCC[C@@H]1O[C@H](CC(N)=O)C[C@@]2(O)C(=O)c3cc(OC)cc(O)c3C(=O)[C@@]12O	2356715070	PEEHMYIBRREDFW-XENSBHABSA-N	393.392	0.075	10	1	GCCF	
Cc1ccc2c(c1)c1c(n2C)CN(C(=O)c2ncn3c(=O)n(C)nnc23)CC1	1772608296	DRLKIXJZEXPJLB-UHFFFAOYSA-N	377.408	0.822	10	1	GCCF	
CC[C@H]1OC(=O)[C@]2(C[C@@H](O)[C@H](O)[C@H](OC(=O)/C=C/c3ccc(O)c(O)c3)C2)O1	45358823	IRYOWHDAPNQFSG-UURRWRLGSA-N	394.376	0.587	10	1	GCCF	
O=S(=O)(NC[C@@H]1OC[C@H](NCc2ccccc2O)[C@@H]1O)c1ccccc1	2356288059	UVMVATIAXPPYOR-SZMVWBNQSA-N	378.450	0.589	10	1	GCCF	
CCC[C@@H]1O[C@H](CC(N)=O)C[C@]2(O)C(=O)c3cc(OC)cc(O)c3C(=O)[C@]12O	2356715067	PEEHMYIBRREDFW-BHLFYZKUSA-N	393.392	0.075	10	1	GCCF	
O=S(=O)(NC[C@@H]1OC[C@@H](NCc2ccccc2O)[C@@H]1O)c1ccccc1	2356288057	UVMVATIAXPPYOR-NJAFHUGGSA-N	378.450	0.589	10	1	GCCF	
O=C1N=C(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)S/C1=C\c1ccccc1	254079746	UBZUBLONEXFAER-BZFKMUDJSA-N	383.447	0.190	10	1	GCCF	
O=C1c2cccc(O)c2C(=O)c2c(O)cc(Cn3cc(F)c(=O)[nH]c3=O)cc21	198515349	UQSPCLMIJXVOQW-UHFFFAOYSA-N	382.303	0.911	10	1	GCCF	
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COC(=O)OCCCC(=O)O)O2)c(=O)[nH]c1=O	27873726	DWCYMGRPFGKESM-HBNTYKKESA-N	397.344	0.829	10	1	GCCF	
C[C@@]1(c2ccc(C(=O)O)cc2O)c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21	963223221	PRGXRYUHUBVWEJ-PJSUUKDQSA-N	396.403	0.835	10	1	GCCF	
CC[C@@H](C)[C@@H](N)C(=O)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1N=[N+]=[N-]	38896290	QUANSGVUESEHKX-YHALQVAKSA-N	380.405	0.728	10	1	GCCF	
COC(=O)c1cn([C@@H]2CO[C@@H]3[C@@H](NCc4ccc(N(C)C)cc4)CO[C@@H]32)nn1	2356861284	UHKPCAQZRIULDM-BSDSXHPESA-N	387.440	0.628	10	1	GCCF	
CCOC(=O)C1=C(N)n2c(=O)c3ncccc3c(=O)n2[C@@H]1c1ccccc1O	1772607343	CQVZYKXHVWHDDF-OAHLLOKOSA-N	380.360	0.557	10	1	GCCF	
CCOC(=O)c1nc2c(O)nc3cc(Cl)c(-n4ccc[n+]4C=O)cc3n2n1	27326405	PHHBGFZDTRMLAI-UHFFFAOYSA-O	387.763	0.930	10	1	GCCF	
Cc1cn([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)n(C[C@@H]2COC(C)(C)O2)c1=O	29322629	DULBIDWSWXUCBW-FDYHWXHSSA-N	381.389	0.429	10	1	GCCF	
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COC(=O)CCCC(=O)O)O2)c(=O)[nH]c1=O	27872404	AICHWAOJFIZLTA-HBNTYKKESA-N	381.345	0.610	10	1	GCCF	
N=C(N)N/C=C/c1ccc2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](NC(=N)N)O2	238766455	MCLIKJGPKULDHY-QDNWOOLPSA-N	384.396	0.873	10	1	GCCF	
[N-]=[N+]=N[C@@H]1C[C@H](n2cc(I)c(=O)[nH]c2=O)O[C@@H]1CO	27075904	RKFULXUNGOGTPS-FSDSQADBSA-N	379.114	0.100	10	1	GCCF	
Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@H](COC(=O)NCCCC(=O)O)O2)c(=O)[nH]c1=O	38145244	JCPUCBCEZHXIKS-DCAQKATOSA-N	396.360	0.402	10	1	GCCF	
O=c1[nH]c(=O)n([C@@H]2C[C@@H](O)[C@@H](CO)O2)cc1/N=N/NCCCc1ccccc1	1642553	OJAUZFHLIDATKU-OAGGEKHMSA-N	389.412	0.398	10	1	GCCF	
CCC(CC)C/N=N/c1nc(N)c2ncn([C@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1	169729385	JLYLVBQHKALASO-GYTMCUHDSA-N	379.421	0.540	10	1	GCCF	
O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2C[C@H](O)[C@H](O)[C@H](O)CO	72179187	RSWXCMVXDJADBL-YRNRMSPPSA-N	381.384	0.288	10	1	GCCF	
Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@H](COC(=O)CCCC(=O)O)O2)c(=O)[nH]c1=O	38145215	AICHWAOJFIZLTA-DCAQKATOSA-N	381.345	0.610	10	1	GCCF	
Nc1nc(/N=N/C[C@@H]2CC=CCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	169729376	OETWUJGELQBKMU-HDUCZNDVSA-N	389.416	0.460	10	1	GCCF	
CN(C)CCCNC(=O)[C@@H]1c2c(O)cccc2-n2c(=O)c3ccccc3c(=O)n21	473115889	VFLGNLVVOJKULO-SFHVURJKSA-N	394.431	0.829	10	1	GCCF	
COc1c(C)c(O)c2c(c1O)[C@H]1CO[C@@H]3[C@@H]4C[C@@H]5[C@@H]6OCCN6[C@H]2[C@@H]([C@@H]5N4)N13	238752845	OXJNRSNNPQUYHM-VTTBSSJISA-N	387.436	0.570	10	1	GCCF	
O=C1Oc2c(O)cccc2[C@H]2C[C@H]1[C@]1(O)C(=O)c3cccc(O)c3C(=O)[C@@]21O	2356732721	RBPWWRZHWCTBKW-HPUVFHFKSA-N	382.324	0.662	10	1	GCCF	
CC(C)C[C@H](NC(=O)[C@H]1N[C@H](CN=[N+]=[N-])C[C@@H]1CN=[N+]=[N-])C(=O)NCC(N)=O	96933361	MNSKYKFWLSTIJP-BLFANLJRSA-N	394.440	0.086	10	1	GCCF	
N=C(N)NC=Cc1ccc2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](NC(=N)N)O2	2356449425	MCLIKJGPKULDHY-CVEARBPZSA-N	384.396	0.873	10	1	GCCF	
CC1(C)OC(=O)[C@]2(C[C@@H](O)[C@H](O)[C@H](OC(=O)/C=C/c3ccc(O)c(O)c3)C2)O1	45358855	BGAXFHHCXMTPMW-AUEGLCIMSA-N	394.376	0.587	10	1	GCCF	
CCC[C@@H]1O[C@H](CC(=O)O)C[C@]2(CO)C(=O)c3cccc(O)c3C(=O)[C@]12O	2356341104	GOXSXIAIEMOZQK-BHLFYZKUSA-N	378.377	0.913	10	1	GCCF	
CCC(CC)C/N=N/c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1	169729384	JLYLVBQHKALASO-IVOVCXSTSA-N	379.421	0.540	10	1	GCCF	
Cc1ccc(S(=O)(=O)NC[C@@H]2OC[C@@H](NCc3ccccc3O)[C@@H]2O)cc1	2356286903	BDGDDLGVNLEKOY-NEWSRXKRSA-N	392.477	0.897	10	1	GCCF	
O=C1c2ccccc2-c2nn(CCNCO)c3ccc(NCCNCCO)c1c23	28758577	NDSNUULLSHMRFY-UHFFFAOYSA-N	395.463	0.781	10	1	GCCF	
Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)n(C[C@H]2COC(C)(C)O2)c1=O	261093105	DULBIDWSWXUCBW-RVMXOQNASA-N	381.389	0.429	10	1	GCCF	
CCOC(=O)Cc1c2c3c(cc(O)c(O)c3oc1=O)C(=O)O[C@H]2C(=O)OC	1911582767	VVTSBXZKWVKPRG-CQSZACIVSA-N	378.289	0.694	10	1	GCCF	
CC[C@@]1(Br)C(=O)N=C(O)N([C@@H]2C[C@@H](O)[C@@H](CO)O2)[C@H]1N=[N+]=[N-]	17214648	XOCGUOPQZHTKCR-NFQFAKNOSA-N	378.183	0.391	10	1	GCCF	
Cc1cccc(CNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1O	28647998	HLRFXBXSJJUJNU-XKLVTHTNSA-N	387.396	0.064	10	1	GCCF	
COC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(C)=O	40974991	KIDYQCVXJVFMOL-STQMWFEESA-N	384.454	0.556	10	1	GCCF	
O=C1c2cccc(O)c2C(=O)c2c(O)c3c(c(O)c21)C[C@@](O)([C@H](O)CO)CC3	472490902	CFDPRVCIBVUZSE-MPBGBICISA-N	386.356	0.152	10	1	GCCF