smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=S(=O)(O)O[C@H]([C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO)[C@H](O)[C@H](O)[C@@H](O)CO	44460369	OMKXVFDVAGCPBS-LUELJMQESA-O	425.454	-5.675	30	40	IAEB	in-vivo
OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)/C=N/Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1	9296492	ZLRJIWCKOYOIAS-NCAZUKJLSA-N	443.461	-3.622	30	40	IAEB	
Nc1nc2c(nc(N/N=C\c3cccc([N+](=O)[O-])c3)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1	35188432	CDZOFNXZEFGZRU-IVRPWRNLSA-N	446.380	-1.333	30	40	IAEB	
CC(C)OC[C@H](O)Cn1c(N/N=C2/C(=O)NC(=O)N=C2O)nc2c1c(=O)[nH]c(=O)n2C	2344808	MDWKGLHSAXQIDE-SSDOTTSWSA-N	436.385	-1.817	30	40	IAEB	
C#CCN1CCN(C(=O)CN2CCN(CC(=O)N3CCN(CC#C)CC3)[C@H](C)C2)CC1	72309103	GNJSNGOUFQNYMB-OAQYLSRUSA-N	428.581	-1.453	30	40	IAEB	
Nc1ncnc2c1ncn2[C@@H](C=O)O[C@H](C=O)CO[P@@](=O)(O)OP(=O)(O)O	34781787	NVPIJHRHNNQNDN-RNFRBKRXSA-N	425.187	-1.084	30	40	IAEB	
C=CCOC[C@@H](O)Cn1c(NN=C2C(=O)NC(=O)NC2=O)nc2c1c(=O)[nH]c(=O)n2C	9849218	KYPYWAQFNSZARH-ZETCQYMHSA-N	434.369	-2.879	30	40	IAEB	
CS(=O)(=O)CCC/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	34943346	OFKKQTQFWWIRBD-KYOHTCFJSA-N	439.486	-2.523	30	40	IAEB	
C=C[C@@H]1CS[C@H]2[C@H](NC(=O)/C(=N/OCC(=O)O)c3c[nH]c(N)n3)C(=O)N2[C@H]1C(=O)O	230141294	AZYSKDONICKLDX-FIVFXCFCSA-N	438.422	-1.548	30	40	IAEB	
CC(=O)N(O)CCCCCNC(=O)[C@@](O)(CC(=O)O)CC(=O)NCCCN(O)C(C)=O	203418906	LMCOVLVJSBQVNA-SFHVURJKSA-N	448.473	-1.150	30	40	IAEB	biogenic,in-vitro
CC(=O)N(O)CCCCCNC(=O)[C@](O)(CC(=O)O)CC(=O)NCCCN(O)C(C)=O	203418898	LMCOVLVJSBQVNA-GOSISDBHSA-N	448.473	-1.150	30	40	IAEB	biogenic,in-vitro
C=CCOC(=O)N[C@@H]1[C@@H](O)O[C@@H](CO)[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]1O	95908747	BYVZAAFFTWSDID-RGZJKYDCSA-N	425.387	-4.477	30	40	IAEB	
CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)[C@@H](O)[C@H]3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12	71404970	PKLYDGYDEGUNLA-ONMOPFETSA-N	446.456	-1.049	30	40	IAEB	
CC(=O)N(O)CCCCNC(=O)[C@](O)(CC(=O)O)CC(=O)NCCCN(O)C(C)=O	514287811	CLFYHFVHWDBLRE-QGZVFWFLSA-N	434.446	-1.540	30	40	IAEB	biogenic,in-vitro
COc1cc(/C=N/Nc2nc3c(O)nc(N)nc3n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1O	257346747	ACGPPAIPQPXQAN-SNEZMTJISA-N	447.408	-1.114	30	40	IAEB	
Nc1nc2c(nc(N/N=C/c3cccc([N+](=O)[O-])c3)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1	35188434	CDZOFNXZEFGZRU-UTAFKRLHSA-N	446.380	-1.333	30	40	IAEB	
O=C(/N=C1\N[C@H]2CS(=O)(=O)C[C@H]2S1)C(=O)/N=C1\N[C@@H]2CS(=O)(=O)C[C@@H]2S1	12174243	CBWAIUHJYUNBCD-SOSBWXJGSA-N	438.534	-2.244	30	40	IAEB	
Nc1nc(O)c2nc(N/N=C3/C(=O)Nc4ccccc43)n([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c2n1	253568021	KTIOQJISOHJZQO-DGHXPGOUSA-N	442.392	-1.506	30	40	IAEB	
C=CCOC(=O)N[C@@H]1[C@@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]1O	95908749	BYVZAAFFTWSDID-VWFZYZTJSA-N	425.387	-4.477	30	40	IAEB	
CN(C)c1ccc(/C=N/Nc2nc3c(=O)[nH]c(N)nc3n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1	102964465	STHKNNLRWCJMPL-GYTCPYCISA-N	444.452	-1.175	30	40	IAEB	
CN(C)c1ccc(/C=N\Nc2nc3c(=O)[nH]c(N)nc3n2[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)cc1	33764918	STHKNNLRWCJMPL-PAASXJKLSA-N	444.452	-1.175	30	40	IAEB	
CC(C)OC[C@@H](O)Cn1c(N/N=C2/C(=O)NC(=O)N=C2O)nc2c1c(=O)[nH]c(=O)n2C	2344813	MDWKGLHSAXQIDE-ZETCQYMHSA-N	436.385	-1.817	30	40	IAEB	
CS(=O)(=O)OC[C@H](OS(C)(=O)=O)[C@H](COS(C)(=O)=O)OS(C)(=O)=O	104149304	UXFINMGJACYPLQ-YUMQZZPRSA-N	434.488	-2.372	30	40	IAEB	
NC(N)=NCCC[C@H](N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](CO)C(=O)O	26830307	NNRFRJQMBSBXGO-XHNCKOQMSA-N	433.422	-4.995	30	40	IAEB	
CN(C)c1ccc(/C=N\Nc2nc3c(=O)[nH]c(N)nc3n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)cc1	33764919	STHKNNLRWCJMPL-XUNCZMBYSA-N	444.452	-1.175	30	40	IAEB	
COc1cc(/C=N/Nc2nc3c(O)nc(N)nc3n2[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)ccc1O	257346746	ACGPPAIPQPXQAN-IZNBTGBVSA-N	447.408	-1.114	30	40	IAEB	
Cn1c(=O)[nH]c(=O)c2c1nc(NN=C1C(=O)NC(=O)NC1=O)n2C[C@@H](O)c1ccccc1	9292861	HFLMOVAHYVRTBU-SECBINFHSA-N	440.376	-1.709	30	40	IAEB	
C[C@@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O	15848211	WZPBZJONDBGPKJ-DZIOLEBDSA-N	435.440	-1.173	30	40	IAEB	in-vitro
Nc1nc(O)c2nc(N/N=C3/C(=O)Nc4ccccc43)n([C@@H]3O[C@H](CO)[C@H](O)[C@@H]3O)c2n1	253568022	KTIOQJISOHJZQO-MJDBVRFSSA-N	442.392	-1.506	30	40	IAEB	
COc1cc(/C=N/Nc2nc3c(O)nc(N)nc3n2[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)ccc1O	257346748	ACGPPAIPQPXQAN-ZUBNAVOQSA-N	447.408	-1.114	30	40	IAEB	
CS(=O)(=O)N[C@H](COS(C)(=O)=O)[C@H](COS(C)(=O)=O)NS(C)(=O)=O	100419859	HUGXNNOHHJYMRV-OCAPTIKFSA-N	432.520	-3.226	30	40	IAEB	
C=CCOC(=O)N[C@@H]1[C@@H](O)O[C@@H](CO)[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O	95908748	BYVZAAFFTWSDID-KIGUHIEKSA-N	425.387	-4.477	30	40	IAEB	
Nc1nc2c(nc(N/N=C/c3ccc([N+](=O)[O-])o3)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1	16430359	OXGYOIYULNIVTO-LEFDSTLVSA-N	436.341	-1.740	30	40	IAEB	
Nc1nc(O)c2nc(N/N=C/c3ccc([N+](=O)[O-])o3)n([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c2n1	257346796	OXGYOIYULNIVTO-YQQRJMCASA-N	436.341	-1.327	30	40	IAEB	
C=C(C(=O)O[C@@H]1C[C@@]2(C)[C@@H]([C@H](O)[C@H]1C(=C)C(=O)OC)[C@@](O)(CO)CC[C@H]2O)[C@@H](O)CO	253389926	RRUQYJBEEQBWGK-WXELXPDVSA-N	444.477	-1.582	30	40	IAEB	biogenic,in-vitro
C=CCOC(=O)N[C@@H]1[C@H](O)O[C@@H](CO)[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O	40442564	BYVZAAFFTWSDID-WOLTYEFASA-N	425.387	-4.477	30	40	IAEB	
C=C(C(=O)O[C@H]1C[C@]2(C)[C@@H](O)CC[C@@](O)(CO)[C@H]2[C@@H](O)[C@H]1C(=C)C(=O)OC)[C@H](O)CO	67913289	RRUQYJBEEQBWGK-QPLWWMSHSA-N	444.477	-1.582	30	40	IAEB	biogenic,in-vitro
OC[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)/C=N/Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1	6073450	AFIGTVXPQVRFBQ-QZJMGDKHSA-N	439.517	-1.314	30	40	IAEB	
CN(C)c1ccc(/C=N/Nc2nc3c(=O)[nH]c(N)nc3n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)cc1	5222285	STHKNNLRWCJMPL-VAUKQWBMSA-N	444.452	-1.175	30	40	IAEB	
C=CCOC(=O)N[C@@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@@H]1O	33416009	BYVZAAFFTWSDID-NUZFYJAASA-N	425.387	-4.477	30	40	IAEB	
C[S@@](=O)/C=C\CCC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	299888831	ZFLXCZJBYSPSKU-UTPOCJCLSA-N	435.498	-1.675	30	40	IAEB	
COc1cc(/C=N/Nc2nc3c(=O)[nH]c(N)nc3n2[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)ccc1O	19119353	ACGPPAIPQPXQAN-QFMVQRRPSA-N	447.408	-1.527	30	40	IAEB	
C=CCOC(=O)N[C@@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O	242437321	BYVZAAFFTWSDID-SLRWDDDNSA-N	425.387	-4.477	30	40	IAEB	
N#C[C@@H](O[C@H]1O[C@@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O)c1ccccc1	253501117	YYYCJNDALLBNEG-VTMFJCCMSA-N	427.406	-2.469	30	40	IAEB	endogenous,in-man
CC1=CC(=O)[C@H](O)[C@]2(C)[C@@H]1C[C@@H]1OC(=O)[C@H](O)[C@]3(O)[C@@]4(CO)OC[C@@]13[C@@H]2[C@@H](O)[C@H]4O	257527352	QXKKRGMRXXMDDP-JPEPLHCZSA-N	426.418	-2.981	30	40	IAEB	biogenic,in-vitro
C=C(C(=O)OC)[C@@H]1[C@H](OC(=O)C(=C)[C@@H](O)CO)C[C@@]2(C)[C@@H]([C@@H]1O)[C@@](O)(CO)CC[C@H]2O	253389927	RRUQYJBEEQBWGK-XENSPQPGSA-N	444.477	-1.582	30	40	IAEB	biogenic,in-vitro
Nc1nc(O)c2nc(N/N=C/c3ccc([N+](=O)[O-])o3)n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1	257346794	OXGYOIYULNIVTO-VERIQJBYSA-N	436.341	-1.327	30	40	IAEB	
Nc1nc2c(nc(N/N=C/c3ccc([N+](=O)[O-])o3)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1	35183234	OXGYOIYULNIVTO-SQBFFEIGSA-N	436.341	-1.740	30	40	IAEB	
C=C(C(=O)O[C@H]1C[C@@]2(C)[C@@H](O)CC[C@@](O)(CO)[C@H]2[C@@H](O)[C@H]1C(=C)C(=O)OC)[C@H](O)CO	67913287	RRUQYJBEEQBWGK-FQYTXLBGSA-N	444.477	-1.582	30	40	IAEB	biogenic,in-vitro
CS(=O)(=O)NC[C@@H](OS(C)(=O)=O)[C@@H](CNS(C)(=O)=O)OS(C)(=O)=O	1580771	KFQYXRNFDHOZOR-HTQZYQBOSA-N	432.520	-3.226	30	40	IAEB	
C=CCOC(=O)N[C@@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O	40442563	BYVZAAFFTWSDID-PLHRXIOPSA-N	425.387	-4.477	30	40	IAEB	
Nc1nc2c(nc(N/N=C\c3cccc([N+](=O)[O-])c3)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1	35188436	CDZOFNXZEFGZRU-AZSSBXOSSA-N	446.380	-1.333	30	40	IAEB	
CS(=O)(=O)OC[C@@H](OS(C)(=O)=O)[C@@H](COS(C)(=O)=O)OS(C)(=O)=O	104149299	UXFINMGJACYPLQ-HTQZYQBOSA-N	434.488	-2.372	30	40	IAEB	
O=C(/N=C1\N[C@H]2CS(=O)(=O)C[C@@H]2S1)C(=O)/N=C1\N[C@@H]2CS(=O)(=O)C[C@@H]2S1	27988237	CBWAIUHJYUNBCD-YWIQKCBGSA-N	438.534	-2.244	30	40	IAEB	
COc1cc(/C=N/Nc2nc3c(=O)[nH]c(N)nc3n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)ccc1O	19119345	ACGPPAIPQPXQAN-CJBFEEFESA-N	447.408	-1.527	30	40	IAEB	
COc1ccc(C=NN2CN([C@H](C)C(=O)O)B(N(CCO)CCO)NC2=N)cc1OC	263608964	UNGCHIQZABMVFT-CYBMUJFWSA-N	436.278	-1.118	30	40	IAEB	
CS(=O)(=O)O[C@H]1[C@@H](COC(=O)c2ccccc2)O[C@H](n2ccc(=O)[nH]c2=O)[C@@H]1O	4897254	ILSRYSUVJATXQS-RZFFKMDDSA-N	426.403	-1.003	30	40	IAEB	
C=C(C(=O)O[C@@H]1C[C@@]2(C)[C@@H](O)CC[C@@](O)(CO)[C@H]2[C@@H](O)[C@H]1C(=C)C(=O)OC)[C@H](O)CO	67913291	RRUQYJBEEQBWGK-PYVYYKCMSA-N	444.477	-1.582	30	40	IAEB	biogenic,in-vitro
CS(=O)(=O)NC[C@H](OS(C)(=O)=O)[C@@H](CNS(C)(=O)=O)OS(C)(=O)=O	104062511	KFQYXRNFDHOZOR-OCAPTIKFSA-N	432.520	-3.226	30	40	IAEB	
CS(=O)(=O)OCC(COS(C)(=O)=O)(COS(C)(=O)=O)COS(C)(=O)=O	104344615	VXAXRXCTWLSTHD-UHFFFAOYSA-N	448.515	-2.122	30	40	IAEB	
CC1=CC(=O)[C@H](O)[C@]2(C)[C@@H]1C[C@@H]1OC(=O)[C@H](O)[C@]3(O)[C@@]4(CO)OC[C@@]13[C@@H]2[C@H](O)[C@H]4O	257527353	QXKKRGMRXXMDDP-MUFRDHAFSA-N	426.418	-2.981	30	40	IAEB	biogenic,in-vitro
Nc1nc2c(nc(N/N=C3/C(=O)Nc4ccccc43)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1	103402366	KTIOQJISOHJZQO-LKGUXBDMSA-N	442.392	-1.918	30	40	IAEB	
C=C[C@@H]1CS[C@@H]2[C@H](NC(=O)/C(=N/OCC(=O)O)c3c[nH]c(N)n3)C(=O)N2[C@@H]1C(=O)O	226821114	AZYSKDONICKLDX-SWCMIPMQSA-N	438.422	-1.548	30	40	IAEB	
N#C[C@@H](O[C@H]1O[C@@H](CO[C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O)c1ccccc1	253501114	YYYCJNDALLBNEG-BUNSXUCPSA-N	427.406	-2.469	30	40	IAEB	endogenous,in-man
Cn1c(=O)[nH]c(=O)c2c1nc(NN=C1C(=O)NC(=O)NC1=O)n2C[C@H](O)c1ccccc1	9292860	HFLMOVAHYVRTBU-VIFPVBQESA-N	440.376	-1.709	30	40	IAEB	
OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)/C=N/Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1	8872276	AFIGTVXPQVRFBQ-JAKNAGGZSA-N	439.517	-1.314	30	40	IAEB	
NC(N)=NCCC[C@H](N)C(=O)NCC(=O)N[C@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)O	35332954	NNRFRJQMBSBXGO-YIZRAAEISA-N	433.422	-4.995	30	40	IAEB	
O=C(/N=C1\N[C@H]2CS(=O)(=O)C[C@@H]2S1)C(=O)/N=C1\N[C@H]2CS(=O)(=O)C[C@@H]2S1	39162207	CBWAIUHJYUNBCD-XAMCCFCMSA-N	438.534	-2.244	30	40	IAEB	
Cn1c(N)c(C(=O)CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(=O)n(C)c1=O	34875438	FKHYZDBSIPOQHE-UHFFFAOYSA-N	446.489	-1.273	30	40	IAEB	
C=CCOC(=O)N[C@H]1[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@@H](CO)O[C@H]1O	33416005	BYVZAAFFTWSDID-OHQARVTCSA-N	425.387	-4.477	30	40	IAEB	
C=CCOC(=O)N[C@@H]1[C@@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O	95908750	BYVZAAFFTWSDID-YABYRONVSA-N	425.387	-4.477	30	40	IAEB	
O=C(/N=C1\N[C@H]2CS(=O)(=O)C[C@H]2S1)C(=O)/N=C1\N[C@H]2CS(=O)(=O)C[C@@H]2S1	39162206	CBWAIUHJYUNBCD-DKXJUACHSA-N	438.534	-2.244	30	40	IAEB	
C[S@@](=O)/C=C/CCC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	299888832	ZFLXCZJBYSPSKU-YNCSXJHCSA-N	435.498	-1.675	30	40	IAEB	in-vitro
CS(=O)(=O)O[C@@H]1[C@H](COC(=O)c2ccccc2)O[C@H](n2ccc(=O)[nH]c2=O)[C@@H]1O	4897251	ILSRYSUVJATXQS-MYPMTAMASA-N	426.403	-1.003	30	40	IAEB	
C=CCOC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O	306121102	BYVZAAFFTWSDID-KXQGYPSXSA-N	425.387	-4.477	30	40	IAEB	in-vitro
CS(=O)(=O)CCC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	5742761	OFKKQTQFWWIRBD-XNUBBQBOSA-N	439.486	-2.523	30	40	IAEB	in-man
O=S(=O)(O)O[C@H]([C@H](O)C[S@+]1C[C@@H](O)[C@H](O)[C@H]1CO)[C@H](O)[C@H](O)[C@@H](O)CO	49069673	OMKXVFDVAGCPBS-QTIKZJLFSA-O	425.454	-5.675	30	40	IAEB	in-vivo
CN(C)c1ccc(/C=N/Nc2nc3c(=O)[nH]c(N)nc3n2[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1	13425181	STHKNNLRWCJMPL-HRMQGMENSA-N	444.452	-1.175	30	40	IAEB	
C[S@](=O)/C=C/CCC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	255286906	ZFLXCZJBYSPSKU-DNKUMYHESA-N	435.498	-1.675	30	40	IAEB	in-vitro
Nc1nc2c(nc(N/N=C/c3ccc([N+](=O)[O-])o3)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1	16430356	OXGYOIYULNIVTO-HYXTZSEKSA-N	436.341	-1.740	30	40	IAEB	
C[S@](=O)CCCC/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	30160165	GMMLNKINDDUDCF-GQAHJZFWSA-N	437.514	-1.799	30	40	IAEB	in-vitro
OC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)/C=N/Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1	6073472	ZLRJIWCKOYOIAS-UQJIULLHSA-N	443.461	-3.622	30	40	IAEB	
N#Cc1cccc(S(=O)(=O)N2[C@@H]3CS(=O)(=O)C[C@@H]3N[C@H]3CS(=O)(=O)C[C@@H]32)c1	575424900	VULPLBAKJZCSTK-ZQDZILKHSA-N	431.517	-1.517	30	40	IAEB	
C=CCOC[C@H](O)Cn1c(NN=C2C(=O)NC(=O)NC2=O)nc2c1c(=O)[nH]c(=O)n2C	9849219	KYPYWAQFNSZARH-SSDOTTSWSA-N	434.369	-2.879	30	40	IAEB	
N#C[C@@H](O[C@H]1O[C@@H](CO[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O)c1ccccc1	253501116	YYYCJNDALLBNEG-QMVOKESCSA-N	427.406	-2.469	30	40	IAEB	endogenous,in-man
C[S@](=O)/C=C\CCC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	255286905	ZFLXCZJBYSPSKU-BYOHGGGKSA-N	435.498	-1.675	30	40	IAEB	
Nc1nc2c(nc(N/N=C/c3ccc([N+](=O)[O-])o3)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1	16430353	OXGYOIYULNIVTO-KDWZJZQMSA-N	436.341	-1.740	30	40	IAEB	
CS(=O)(=O)CCC/C(=N/OS(=O)(=O)O)S[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	34943345	OFKKQTQFWWIRBD-INZHKSROSA-N	439.486	-2.523	30	40	IAEB	
C#CCN1CCN(C(=O)CN2CCN(CC(=O)N3CCN(CC#C)CC3)[C@@H](C)C2)CC1	72309104	GNJSNGOUFQNYMB-NRFANRHFSA-N	428.581	-1.453	30	40	IAEB	
C=C(C(=O)O[C@@H]1C[C@@]2(C)[C@@H]([C@H](O)[C@@H]1C(=C)C(=O)OC)[C@@](O)(CO)CC[C@H]2O)[C@H](O)CO	253389924	RRUQYJBEEQBWGK-JUNHGDMQSA-N	444.477	-1.582	30	40	IAEB	biogenic,in-vitro
C=CCc1ccc(O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc1	4098731	HLTAEJNADMCLOV-LTRJMQNCSA-N	428.434	-1.941	30	40	IAEB	in-vitro
C=CCc1ccc(O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc1	4098736	DAELTTGCCPRYTP-ZLQZEYEISA-N	442.461	-1.554	30	40	IAEB	biogenic,in-vitro
O=S(=O)(O)ON=C(C[C@@H](O)c1ccccc1)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	255211637	GAPDDBFHNYHZIS-DKJTXKKOSA-N	439.464	-1.224	30	40	IAEB	in-vitro
CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@]2(O)[C@H]1C[C@H]1[C@H](C(=O)c3c(O)cccc3[C@@]1(C)O)[C@H]2O	71404968	PKLYDGYDEGUNLA-UYNCBMGVSA-N	446.456	-1.049	30	40	IAEB	
C=CCOC(=O)N[C@@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O	306121103	BYVZAAFFTWSDID-XJYLUEIPSA-N	425.387	-4.477	30	40	IAEB	in-vitro
OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)/C=N/Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1	101107877	ZLRJIWCKOYOIAS-HVFKTWKQSA-N	443.461	-3.622	30	40	IAEB	
COc1cc(/C=N/Nc2nc3c(=O)[nH]c(N)nc3n2[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)ccc1O	35183232	ACGPPAIPQPXQAN-BYARVBTNSA-N	447.408	-1.527	30	40	IAEB	
Nc1nc2c(nc(N/N=C/c3cccc([N+](=O)[O-])c3)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1	35188438	CDZOFNXZEFGZRU-CMDTVKIKSA-N	446.380	-1.333	30	40	IAEB	
CN(C)c1ccc(/C=N/Nc2nc3c(=O)[nH]c(N)nc3n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)cc1	5222266	STHKNNLRWCJMPL-MJGFRHPXSA-N	444.452	-1.175	30	40	IAEB	
OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)/C=N/Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1	108538255	AFIGTVXPQVRFBQ-ZFJXNGOKSA-N	439.517	-1.314	30	40	IAEB	
CC(=O)N(O)CCCCNC(=O)[C@@](O)(CC(=O)O)CC(=O)NCCCN(O)C(C)=O	514287809	CLFYHFVHWDBLRE-KRWDZBQOSA-N	434.446	-1.540	30	40	IAEB	biogenic,in-vitro
OC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)/C=N/Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1	6073449	AFIGTVXPQVRFBQ-VQWXUCLKSA-N	439.517	-1.314	30	40	IAEB	
C[S@@](=O)CCCC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	101687594	GMMLNKINDDUDCF-STMGGYCSSA-N	437.514	-1.799	30	40	IAEB	
Nc1nc(O)c2nc(N/N=C/c3ccc([N+](=O)[O-])o3)n([C@@H]3O[C@H](CO)[C@H](O)[C@@H]3O)c2n1	257346795	OXGYOIYULNIVTO-YPTCUZFQSA-N	436.341	-1.327	30	40	IAEB	
N#Cc1cn(CCCN2CCN(CCCn3cc(C#N)c(=O)[nH]c3=O)CC2)c(=O)[nH]c1=O	19370591	KZMACHSVSZJBQQ-UHFFFAOYSA-N	440.464	-1.772	30	40	IAEB	
OC[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)/C=N/Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1	13548749	AFIGTVXPQVRFBQ-KFXCPAPYSA-N	439.517	-1.314	30	40	IAEB	
C=CCOC(=O)N[C@H]1[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](CO)O[C@H]1O	242437320	BYVZAAFFTWSDID-KLBWSLRISA-N	425.387	-4.477	30	40	IAEB	
COc1cc(/C=N/Nc2nc3c(=O)[nH]c(N)nc3n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)ccc1O	35183233	ACGPPAIPQPXQAN-UZQNXXMGSA-N	447.408	-1.527	30	40	IAEB	
CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@]2(O)[C@H]1C[C@H]1[C@@H](C(=O)c3c(O)cccc3[C@@]1(C)O)[C@@H]2O	71404969	PKLYDGYDEGUNLA-PAFSWTEASA-N	446.456	-1.049	30	40	IAEB	
CN(C)c1ccc(/C=N/Nc2nc3c(=O)[nH]c(N)nc3n2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)cc1	5222277	STHKNNLRWCJMPL-ZABHYRFASA-N	444.452	-1.175	30	40	IAEB	
Nc1nc2c(nc(N/N=C/c3ccc([N+](=O)[O-])o3)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1	35183235	OXGYOIYULNIVTO-OJCBJYGOSA-N	436.341	-1.740	30	40	IAEB	
C[S@@](=O)/C=C\CC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	38792093	ZFLXCZJBYSPSKU-IQLIMIAZSA-N	435.498	-1.675	30	40	IAEB	biogenic,in-vitro
Nc1nc2c(ncn2[C@@H](C=O)O[C@H](C=O)CO[P@@](=O)(O)OP(=O)(O)O)c(=O)[nH]1	25759251	JQJHUCJWAVEIRS-PHDIDXHHSA-N	441.186	-1.790	30	40	IAEB	
COc1cc(/C=N/Nc2nc3c(=O)[nH]c(N)nc3n2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)ccc1O	19119349	ACGPPAIPQPXQAN-STKKBKMJSA-N	447.408	-1.527	30	40	IAEB	
CS(=O)(=O)OC[C@H](OS(C)(=O)=O)[C@@H](COS(C)(=O)=O)OS(C)(=O)=O	104149296	UXFINMGJACYPLQ-OCAPTIKFSA-N	434.488	-2.372	30	40	IAEB	
O=C(ON1C(=O)C[C@@H](S(=O)(=O)O)C1=O)C(=O)ON1C(=O)C[C@@H](S(=O)(=O)O)C1=O	103664689	QMPSGDBOKYJUAI-QWWZWVQMSA-N	444.308	-4.067	30	40	IAEB	
COC1=C(OC)C(=O)c2c(O)c(S[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c2C1=O	12657432	AUIBSIJWVKVSCV-HJAPCFNTSA-N	444.414	-1.127	30	40	IAEB	biogenic
N#C[C@@H](O[C@H]1O[C@@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O)c1ccccc1	253501115	YYYCJNDALLBNEG-GZIKCXOQSA-N	427.406	-2.469	30	40	IAEB	endogenous,in-man
N#Cc1cccc(S(=O)(=O)N2[C@@H]3CS(=O)(=O)C[C@H]3N[C@H]3CS(=O)(=O)C[C@H]32)c1	575424898	VULPLBAKJZCSTK-LXTVHRRPSA-N	431.517	-1.517	30	40	IAEB	
O=C(/N=C1\N[C@@H]2CS(=O)(=O)C[C@H]2S1)C(=O)/N=C1\N[C@@H]2CS(=O)(=O)C[C@@H]2S1	27988241	CBWAIUHJYUNBCD-XUTVFYLZSA-N	438.534	-2.244	30	40	IAEB	
COc1ccc(/C=N/Nc2nc3c(=O)[nH]cnc3n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(O)c1	16215388	NXJFOGLJJYVYRV-WONXFWQZSA-N	432.393	-1.109	30	40	IAEB	
OC[C@H](O)[C@H](O)[C@H](O)[C@@H](O)/C=N/Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1	245226521	AFIGTVXPQVRFBQ-GYSSQOPKSA-N	439.517	-1.314	30	40	IAEB	
C[S@@](=O)CCCCC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	263614315	GMMLNKINDDUDCF-ZKJAMTCGSA-N	437.514	-1.799	30	40	IAEB	in-vitro
C=C[C@@H]1CS[C@@H]2[C@H](NC(=O)/C(=N/OCC(=O)O)c3c[nH]c(N)n3)C(=O)N2[C@H]1C(=O)O	230141301	AZYSKDONICKLDX-MNIXYVISSA-N	438.422	-1.548	30	40	IAEB	
CC1(C)[C@H](NC(=O)/C(=N\OCC(=O)O)c2csc(N)n2)C(=O)N1OS(=O)(=O)O	4217565	VAMSVIZLXJOLHZ-QWFSEIHXSA-N	437.412	-1.629	30	40	IAEB	in-man
O=C(ON1C(=O)C[C@H](S(=O)(=O)O)C1=O)C(=O)ON1C(=O)C[C@H](S(=O)(=O)O)C1=O	103664682	QMPSGDBOKYJUAI-IMJSIDKUSA-N	444.308	-4.067	30	40	IAEB	
OC[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)/C=N/Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1	6073474	ZLRJIWCKOYOIAS-QBANMDISSA-N	443.461	-3.622	30	40	IAEB	
CN(C)c1ccc(/C=N/Nc2nc3c(=O)[nH]c(N)nc3n2[C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1	13425182	STHKNNLRWCJMPL-NULATQSGSA-N	444.452	-1.175	30	40	IAEB	
CC1=C2C(=O)C=C(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@H]2OC(=O)[C@H](C)[C@@H]2[C@@H](O)C1	225455352	ZEMSXERQBUSFBA-KMYOWJDCSA-N	440.445	-1.813	30	40	IAEB	biogenic,in-vitro
C=CCOC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O	306121101	BYVZAAFFTWSDID-DSMXNCPVSA-N	425.387	-4.477	30	40	IAEB	in-vitro
C[S@@](=O)CCCC/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	30160161	GMMLNKINDDUDCF-FQEOZIEASA-N	437.514	-1.799	30	40	IAEB	in-vitro
CS(=O)(=O)CCC/C(=N\OS(=O)(=O)O)S[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	5742760	OFKKQTQFWWIRBD-VNNJMEEBSA-N	439.486	-2.523	30	40	IAEB	in-man
N#Cc1cccc(S(=O)(=O)N2[C@@H]3CS(=O)(=O)C[C@@H]3N[C@@H]3CS(=O)(=O)C[C@@H]32)c1	575424899	VULPLBAKJZCSTK-PYHGIMPFSA-N	431.517	-1.517	30	40	IAEB	
OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)/C=N/Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1	8872275	AFIGTVXPQVRFBQ-UPQZSXAJSA-N	439.517	-1.314	30	40	IAEB	
C[S@](=O)CCCCC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	255212802	GMMLNKINDDUDCF-YYSSDTNZSA-N	437.514	-1.799	30	40	IAEB	in-vitro
C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(OC)OC	31457890	HUVIXLWRQSMCLN-PXRCHJMLSA-N	434.438	-1.357	30	40	IAEB	biogenic,in-vitro
OC[C@H](O)[C@H](O)[C@@H](O)[C@H](O)/C=N/Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1	245226522	AFIGTVXPQVRFBQ-VNRGFKCMSA-N	439.517	-1.314	30	40	IAEB	
CS(=O)(=O)O[C@@H]1[C@@H](COC(=O)c2ccccc2)O[C@H](n2ccc(=O)[nH]c2=O)[C@@H]1O	4897253	ILSRYSUVJATXQS-NGFQHRJXSA-N	426.403	-1.003	30	40	IAEB	
C[S@](=O)/C=C\CC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	38792094	ZFLXCZJBYSPSKU-MHHOTVTRSA-N	435.498	-1.675	30	40	IAEB	biogenic,in-vitro
CC1=CC(=O)[C@H](O)[C@]2(C)[C@@H]1C[C@@H]1OC(=O)[C@H](O)[C@]3(O)[C@@]4(CO)OC[C@@]13[C@@H]2[C@H](O)[C@@H]4O	257527351	QXKKRGMRXXMDDP-IGTTWBJYSA-N	426.418	-2.981	30	40	IAEB	biogenic,in-vitro
OC[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)/C=N/Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1	13548732	ZLRJIWCKOYOIAS-JCNFIZDASA-N	443.461	-3.622	30	40	IAEB	
C=CCOC(=O)N[C@@H]1[C@@H](O)O[C@H](CO)[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O	306121104	BYVZAAFFTWSDID-YYJNIOMVSA-N	425.387	-4.477	30	40	IAEB	in-vitro
O=C(/N=C1\N[C@@H]2CS(=O)(=O)C[C@@H]2S1)C(=O)/N=C1\N[C@@H]2CS(=O)(=O)C[C@@H]2S1	27988231	CBWAIUHJYUNBCD-NGJRWZKOSA-N	438.534	-2.244	30	40	IAEB	
C=C[C@@H]1CS[C@H]2[C@H](NC(=O)/C(=N/OCC(=O)O)c3c[nH]c(N)n3)C(=O)N2[C@@H]1C(=O)O	226821125	AZYSKDONICKLDX-UPOBVSQYSA-N	438.422	-1.548	30	40	IAEB	
CS(=O)(=O)N[C@@H](COS(C)(=O)=O)[C@H](COS(C)(=O)=O)NS(C)(=O)=O	1603998	HUGXNNOHHJYMRV-YUMQZZPRSA-N	432.520	-3.226	30	40	IAEB	
CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@]2(O)[C@H]1C[C@H]1[C@@H](C(=O)c3c(O)cccc3[C@@]1(C)O)[C@H]2O	71404967	PKLYDGYDEGUNLA-JDHTZPNRSA-N	446.456	-1.049	30	40	IAEB	
C=C(C(=O)O[C@@H]1C[C@@]2(C)[C@@H]([C@H](O)[C@H]1C(=C)C(=O)OC)[C@@](O)(CO)CC[C@H]2O)[C@H](O)CO	253389925	RRUQYJBEEQBWGK-NFNJWISBSA-N	444.477	-1.582	30	40	IAEB	biogenic,in-vitro
Cn1c(N2CCCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)c(C#N)c(=O)n(C)c1=O	26701203	YYJUFGLVDCWXKK-UHFFFAOYSA-N	426.437	-2.059	30	40	IAEB	
O=C1Nc2ccccc2/C1=N/Nc1nc2c(=O)[nH]cnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	16524116	XCGWEUFWARCYQW-DMEFTLKTSA-N	427.377	-1.501	30	40	IAEB	
CS(=O)(=O)CCCC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	255252415	OFKKQTQFWWIRBD-ZHVGPZTNSA-N	439.486	-2.523	30	40	IAEB	in-vitro
C=C(C(=O)O[C@@H]1C[C@]2(C)[C@@H](O)CC[C@@](O)(CO)[C@H]2[C@@H](O)[C@H]1C(=C)C(=O)OC)[C@H](O)CO	67913293	RRUQYJBEEQBWGK-DWGNEYOXSA-N	444.477	-1.582	30	40	IAEB	biogenic,in-vitro
O=C(/N=C1\N[C@@H]2CS(=O)(=O)C[C@H]2S1)C(=O)/N=C1\N[C@H]2CS(=O)(=O)C[C@@H]2S1	39162205	CBWAIUHJYUNBCD-KVFPUHGPSA-N	438.534	-2.244	30	40	IAEB	
CS(=O)(=O)NC[C@H](OS(C)(=O)=O)[C@H](CNS(C)(=O)=O)OS(C)(=O)=O	1580772	KFQYXRNFDHOZOR-YUMQZZPRSA-N	432.520	-3.226	30	40	IAEB	
OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)/C=N/Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1	9296493	ZLRJIWCKOYOIAS-NPWVHLPXSA-N	443.461	-3.622	30	40	IAEB	
CS(=O)(=O)N[C@H](COS(C)(=O)=O)[C@@H](COS(C)(=O)=O)NS(C)(=O)=O	1580769	HUGXNNOHHJYMRV-HTQZYQBOSA-N	432.520	-3.226	30	40	IAEB	
Cn1c(=O)[nH]c(=O)c2c1nc(NN=C1C(=O)NC(=O)NC1=O)n2Cc1ccc(F)cc1	9291298	HRSPNKKRWSFFKU-UHFFFAOYSA-N	428.340	-1.255	30	40	IAEB	
CS(=O)(=O)O[C@H]1[C@H](COC(=O)c2ccccc2)O[C@H](n2ccc(=O)[nH]c2=O)[C@@H]1O	4897252	ILSRYSUVJATXQS-ATGSNQNLSA-N	426.403	-1.003	30	40	IAEB	
O=C(ON1C(=O)C[C@H](S(=O)(=O)O)C1=O)C(=O)ON1C(=O)C[C@@H](S(=O)(=O)O)C1=O	103664685	QMPSGDBOKYJUAI-ZXZARUISSA-N	444.308	-4.067	30	40	IAEB	
CC1=CC(=O)[C@H](O)[C@]2(C)[C@@H]1C[C@@H]1OC(=O)[C@H](O)[C@]3(O)[C@@]4(CO)OC[C@@]13[C@@H]2[C@@H](O)[C@@H]4O	257527354	QXKKRGMRXXMDDP-VWZVTTGPSA-N	426.418	-2.981	30	40	IAEB	biogenic,in-vitro
N#Cc1cccc(S(=O)(=O)N2[C@@H]3CS(=O)(=O)C[C@@H]3N[C@H]3CS(=O)(=O)C[C@H]32)c1	575424895	VULPLBAKJZCSTK-BYNSBNAKSA-N	431.517	-1.517	30	40	IAEB	
CN(C)c1ccc(/C=N/Nc2nc3c(=O)[nH]c(N)nc3n2[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)cc1	5222258	STHKNNLRWCJMPL-XOQDQSMPSA-N	444.452	-1.175	30	40	IAEB	
COc1ccc(C=NN2CN([C@@H](C)C(=O)O)B(N(CCO)CCO)NC2=N)cc1OC	263608965	UNGCHIQZABMVFT-ZDUSSCGKSA-N	436.278	-1.118	30	40	IAEB