smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
N=C(N)N[C@@H](CSSC[C@H](NC(=N)N)C(=O)O)C(=O)O	1571106	SJDFZAUTVZNQJD-IMJSIDKUSA-N	324.388	-1.760	50	40	DAGB	
O=C(NNS(=O)(=O)C1=CCS(=O)(=O)C1)c1ccncc1	71286411	BWUDWGCQNKVVGI-UHFFFAOYSA-N	317.348	-1.042	50	40	DAGB	
O=c1ccn([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2Br)c(=O)[nH]1	6283682	FEUDNSHXOOLCEY-ZAKLUEHWSA-N	307.100	-1.449	50	40	DAGB	
O=C(N/N=C\c1ccccc1O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO	97527608	HKMXVWDLNKWZHA-JDGZVABWSA-N	314.294	-2.722	50	40	DAGB	
O=c1ccn([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2Br)c(=O)[nH]1	6283681	FEUDNSHXOOLCEY-MLQRGLMKSA-N	307.100	-1.449	50	40	DAGB	
O=C(NNc1ccccc1)[C@@H](O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO	71625376	NNEITPLYIQNYFI-BFLSOPEQSA-N	314.294	-2.865	50	40	DAGB	
O=C(NN[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O)c1ccccc1O	253560088	AJJXTADPDWXBNP-UYNYGYNWSA-N	314.294	-2.574	50	40	DAGB	
O=C(N/N=C/[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(=O)O)c1ccncc1	16546110	WREFPPXAWHSISP-FGXBADMOSA-N	313.266	-2.675	50	40	DAGB	
O=C(N/N=C/[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO)c1ccccc1O	16449215	RBBGHBIZWLYRFA-JEBPDDDASA-N	314.294	-2.456	50	40	DAGB	
Cc1c(C)n2c3c(=O)[nH]c(=O)n(C)c3nc2n1CC(=O)NN	9420434	YVKWGTUTQHTJDY-UHFFFAOYSA-N	305.298	-1.717	50	40	DAGB	
Cc1ccc(NNC(=O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)cc1	5411642	ZPRUOKMBRQIDJM-WYUUTHIRSA-N	300.311	-2.126	50	40	DAGB	
Cc1cc(NC[C@H](O)[C@@H](O)[C@H](O)CO)c(C(=O)NN)cc1C	4824113	YQDMRZPQAAQZDU-YNEHKIRRSA-N	313.354	-1.606	50	40	DAGB	
NNC(=O)CNC(=O)c1cccc(C(=O)NCC(=O)NN)n1	8721885	IZUNNOVHEAEDFY-UHFFFAOYSA-N	309.286	-3.479	50	40	DAGB	
O=C(NNc1ccccc1)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO	4403297	FKWVLNZRINUMNV-JCIQBVFBSA-N	316.310	-3.074	50	40	DAGB	
O=C(NNc1cccc(Cl)c1)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO	5411617	VRKABPBPTVTVQH-CHWFTXMASA-N	320.729	-1.781	50	40	DAGB	
NC(=O)N(N)c1nc(N2CCOCC2)nc(N2CCOCC2)n1	56328	UWLIHGZCVQGBKE-UHFFFAOYSA-N	324.345	-1.696	50	40	DAGB	
O=C(N/N=C/c1ccccc1O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO	104612137	HKMXVWDLNKWZHA-JEBPDDDASA-N	314.294	-2.722	50	40	DAGB	
NC(N)=NNC(=O)CCCCCCCC(=O)NN=C(N)N	5500990	QPLCPKUROQRGDG-UHFFFAOYSA-N	300.367	-1.674	50	40	DAGB	
O=C[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CN(CCCl)CCCl	5458961	LXKPSLUQJMAWQY-DOLQZWNJSA-N	304.170	-1.592	50	40	DAGB	
O=C[C@@H](NC(=O)N(CCCl)N=O)[C@@H](O)[C@H](O)[C@H](O)CO	5201407	MKQWTWSXVILIKJ-WCTZXXKLSA-N	313.694	-2.439	50	40	DAGB	
CN1C2=CC(=O)/C(=N/NC(N)=O)C=C2C[C@H]1S(=O)(=O)O	100019149	OZCACMPSTYQSMM-TZZQWBKVSA-N	300.296	-1.047	50	40	DAGB	in-vitro
C[C@@H](Nc1n[nH]c(=O)[nH]c1=O)C(=O)N/N=C/c1ccncc1	96456	NKEXTNLGLAPHOC-IOCLVDNSSA-N	303.282	-1.196	50	40	DAGB	biogenic,in-vitro
N#C/C=C1/C=C[C@@H](O)C[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	5134835	UTHVFIKQCUKKQW-YIVVZXMPSA-N	313.306	-2.058	50	40	DAGB	biogenic,in-vitro
O=C(N/N=C/[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)O)c1ccncc1	4539129	WREFPPXAWHSISP-PBJGZRIOSA-N	313.266	-2.675	50	40	DAGB	in-man
NC(=O)/C(=N/NC(=O)C[n+]1ccccc1)[C@@H]1NC(=O)NC1=O	17214669	PNYVCEATKIHDHC-VIFPVBQESA-O	305.274	-2.860	50	40	DAGB	
O=C(N/N=C/[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)O)c1ccncc1	4539130	WREFPPXAWHSISP-JBTDQTBQSA-N	313.266	-2.675	50	40	DAGB	
O=C(NNC(=O)c1cc(O)nc(O)n1)c1cc(O)nc(O)n1	408718462	YYIHYKUCYMUZQK-UHFFFAOYSA-N	308.210	-1.836	50	40	DAGB	
O=C(C[C@@H](O)[C@H](O)[C@H]1C[C@H](O)C(=O)O1)NNc1ccccc1	5737544	RMCNWFVHFASVAT-XZUYRWCXSA-N	310.306	-1.082	50	40	DAGB	
O=P(N1CCNCC1)(N1CCNCC1)N1CCNCC1	100498454	BBVDIPIYXODBKM-UHFFFAOYSA-N	302.363	-1.190	50	40	DAGB	
O=c1[nH]nc(SS(=O)(=O)c2n[nH]c(=O)[nH]c2=O)c(=O)[nH]1	9328189	XFLKRARERFGLKP-UHFFFAOYSA-N	320.268	-3.289	50	40	DAGB	
O=C(NN[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)c1ccccc1O	253560087	AJJXTADPDWXBNP-OOTJXSFTSA-N	314.294	-2.574	50	40	DAGB	
CN1CCN(Cc2c(C(=O)NN)nnn2-c2nonc2N)CC1	20477890	LXSPBMHPMQIRHC-UHFFFAOYSA-N	322.333	-2.417	50	40	DAGB	
Cc1ccc(NNC(=O)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)cc1	5411637	ZPRUOKMBRQIDJM-KKOKHZNYSA-N	300.311	-2.126	50	40	DAGB	
CC(=O)NNCn1c(=O)n(CNNC(C)=O)c2ccccc21	5378224	PXEWABVHUJGRRI-UHFFFAOYSA-N	306.326	-1.001	50	40	DAGB	
CNNC(=O)NP(=O)(NC(=O)NNC)NC(=O)NNC	104082371	WKTORXATGCQFHR-UHFFFAOYSA-N	311.243	-2.605	50	40	DAGB	
NC(=O)N/N=C\Cn1c(=O)ccn(C/C=N/NC(N)=O)c1=O	17376782	LDKFPKGVDCWPBJ-YOJFEVEQSA-N	310.274	-2.682	50	40	DAGB	
O=C(CCl)N[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)CCl	100839550	VITJHZDITKRKMS-OLQVQODUSA-N	303.167	-1.138	50	40	DAGB	
O=C(N/N=C/c1ccccc1O)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO	4023289	HKMXVWDLNKWZHA-BAQJGGEPSA-N	314.294	-2.722	50	40	DAGB	
CNC(=S)NNC(=O)[C@@H](O)[C@@H](O)C(=O)NNC(=S)NC	12416958	HMVAGAWNYPFWKS-ZXZARUISSA-N	324.388	-4.042	50	40	DAGB	
O=C(NNc1ccccc1)[C@H](O)C(=O)[C@@H](O)[C@H](O)[C@H](O)CO	104374152	NNEITPLYIQNYFI-MWGHHZFTSA-N	314.294	-2.865	50	40	DAGB	
CN(C)C(=O)CN1C(=O)[C@H]2C/C(=N/NC(N)=O)CC[C@H]2C1=O	103869795	PMPOZKGDSGRGJS-YREBGNACSA-N	309.326	-1.116	50	40	DAGB	
NNC(=O)c1ncn([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c1C(=O)NN	4772390	LKUICCMSEVGART-FTCMTTLMSA-N	316.274	-4.298	50	40	DAGB	
N#C/C=C1/C=C[C@H](O)C[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2061000159	UTHVFIKQCUKKQW-YTZAJGOJSA-N	313.306	-2.058	50	40	DAGB	
COCCNS(=O)(=O)c1ccc(OCC(=O)NN)cc1	408589503	IBJIIGGOAJDHKO-UHFFFAOYSA-N	303.340	-1.020	50	40	DAGB	
NNC(=O)c1nnn2c1Sc1c(C(=O)NN)nnn1CC2	36489959	GXXOXNYQCQXLFS-UHFFFAOYSA-N	310.303	-2.759	50	40	DAGB	
O=C(NNC(=S)NC1CC1)C(=O)NNC(=S)NC1CC1	6332589	VUXDZJDVYVHLOR-UHFFFAOYSA-N	316.412	-1.698	50	40	DAGB	
O=C1CC[C@@H](C(=O)N/N=C\C=N/NC(=O)[C@@H]2CCC(=O)N2)N1	104185963	XECBOFZQCUKYKF-IDDRZKOFSA-N	308.298	-2.252	50	40	DAGB	
OC[C@@H]1OCO[C@@H](CI)[C@@H](O)[C@@H]1O	5600555	YSWHHQKOTZDSIL-VWDOSNQTSA-N	304.080	-1.123	50	40	DAGB	
O=C(NNS(=O)(=O)[C@@H]1CCS(=O)(=O)C1)c1ccncc1	71283786	BPVFYBJIKBZRQH-SECBINFHSA-N	319.364	-1.167	50	40	DAGB	
O=C(Cc1n[nH]c(=O)[nH]c1=O)N/N=C/c1cc(=O)[nH]c(=O)[nH]1	1747386	BQMCIRVGTJAVQO-QDEBKDIKSA-N	307.226	-3.472	50	40	DAGB	
CN(C)C(=O)CN1C(=O)[C@H]2CC/C(=N\NC(N)=O)C[C@H]2C1=O	34259893	PMPOZKGDSGRGJS-YMSAWUHUSA-N	309.326	-1.116	50	40	DAGB	
CCOC(=O)/C=C/C(=O)NNS(=O)(=O)CC[C@@H](N)C(=O)O	1562561	JBKIBOMUZMVXJP-KGGZQZJCSA-N	323.327	-2.142	50	40	DAGB	
C[C@H](Nc1n[nH]c(=O)[nH]c1=O)C(=O)N/N=C/c1cccnc1	56027	PJHCSKGTBUPSIK-GYXDYACRSA-N	303.282	-1.196	50	40	DAGB	
N[C@H](CS(=O)(=O)S(=O)(=O)C[C@@H](N)C(=O)O)C(=O)O	1593211	UOWBXYCLNXLSHI-QWWZWVQMSA-N	304.302	-3.445	50	40	DAGB	
Cc1ccc(NNC(=O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)cc1	5411636	ZPRUOKMBRQIDJM-DDHJBXDOSA-N	300.311	-2.126	50	40	DAGB	
O=C(NNc1ccccc1)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO	4403295	FKWVLNZRINUMNV-PZWNZHSQSA-N	316.310	-3.074	50	40	DAGB	
O=C(N/N=C/[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)c1ccccc1O	5514665	RBBGHBIZWLYRFA-YTCHDKCHSA-N	314.294	-2.456	50	40	DAGB	
COCc1nnn(-c2nonc2N)c1C(=O)NNC(=O)C1CC1	15188376	WSANYYDQGBDAHK-UHFFFAOYSA-N	322.285	-1.450	50	40	DAGB	
C[C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)C(=O)NNc1ccccc1	4403316	DHNNIIMWBLEGGM-NLTWPBFGSA-N	300.311	-2.046	50	40	DAGB	
N#C/C=C1/C=C[C@H](O)C[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2061000156	UTHVFIKQCUKKQW-JQRKDJSLSA-N	313.306	-2.058	50	40	DAGB	
NNC(=O)c1nnn(-c2nonc2N)c1CN1CCCCC1	1911762	IWLVANHOLXDDQO-UHFFFAOYSA-N	307.318	-1.178	50	40	DAGB	
Nc1ccn([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2Br)c(=O)n1	5663904	SELOLWWGBHGBBT-MLQRGLMKSA-N	306.116	-1.160	50	40	DAGB	
CC(=O)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1	12614943	HSVFRCQMJHETMC-UHFFFAOYSA-N	316.339	-1.184	50	40	DAGB	
O=c1ccn([C@H]2O[C@@H](CO)[C@H](O)[C@@H]2Br)c(=O)[nH]1	79562382	FEUDNSHXOOLCEY-PSQAKQOGSA-N	307.100	-1.449	50	40	DAGB	
Cn1c(=O)c2c(ncn2CCSS(=O)(=O)O)n(C)c1=O	6467619	PQYUQIDOKARHCF-UHFFFAOYSA-N	320.352	-1.030	50	40	DAGB	in-vitro
CN(C)C(=O)CN1C(=O)[C@H]2C/C(=N\NC(N)=O)CC[C@H]2C1=O	100721311	PMPOZKGDSGRGJS-LMDGCGNGSA-N	309.326	-1.116	50	40	DAGB	
OC[C@H]1OCO[C@@H](CI)[C@@H](O)[C@H]1O	5600544	YSWHHQKOTZDSIL-WNJXEPBRSA-N	304.080	-1.123	50	40	DAGB	
CCNC(=S)NNC(=O)CC(=O)NNC(=S)NCC	16681745	MVFGEQZLKHDVET-UHFFFAOYSA-N	306.417	-1.593	50	40	DAGB	
Nc1nccnc1C(=O)NNC(=O)C[C@@H]1CCS(=O)(=O)C1	36760692	LHXONVLNFAAOSL-ZETCQYMHSA-N	313.339	-1.355	50	40	DAGB	
O=C(CCNc1n[nH]c(=O)[nH]c1=O)N/N=C/c1cccnc1	56042	PCNVPYXJHIVHBW-VIZOYTHASA-N	303.282	-1.195	50	40	DAGB	biogenic,in-vitro
COCCNC(=O)C/C(C)=N/NC(=O)C(=O)NCCOC	4616504	MGNXGUZFHDCIEH-OQLLNIDSSA-N	302.331	-1.606	50	40	DAGB	
Cc1nn(CC(=O)N/N=C(\N)c2nonc2N)c(C)c1[N+](=O)[O-]	8955617	IVGSWERAEAPPTI-UHFFFAOYSA-N	323.273	-1.190	50	40	DAGB	
O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2Br)c(=O)[nH]1	66331853	FEUDNSHXOOLCEY-PXBUCIJWSA-N	307.100	-1.449	50	40	DAGB	
O=NN(CCCl)C(=O)N[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	5411463	ZOBLZIKVIHJGRN-SHGPDSBTSA-N	313.694	-2.282	50	40	DAGB	
O=C(N/N=C/[C@@H](O)[C@H](O)[C@H](O)[C@H](O)C(=O)O)c1ccncc1	4539128	WREFPPXAWHSISP-AVRWIKBFSA-N	313.266	-2.675	50	40	DAGB	
NC(=O)N/N=C/Cn1ccc(=O)n(C/C=N/NC(N)=O)c1=O	4919046	LDKFPKGVDCWPBJ-BEMXLOBJSA-N	310.274	-2.682	50	40	DAGB	
CO[C@@H]([C@@H](O)CO)[C@H](O)[C@H](O)C(=O)NNc1ccccc1	5732077	HYXALBNMTPMXOQ-USZNOCQGSA-N	300.311	-1.780	50	40	DAGB	
CO[C@H]1O[C@@H](CI)[C@@H](O)[C@@H](O)[C@@H]1O	4802379	MAZXJZHWRBSRKM-XUVCUMPTSA-N	304.080	-1.125	50	40	DAGB	
Nc1c(C(=O)CCl)c(=O)[nH]c(=O)n1CCN1CCOCC1	72415057	KULQJGPNQRFESS-UHFFFAOYSA-N	316.745	-1.128	50	40	DAGB	
O=C(NNc1cccc(Cl)c1)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO	5411612	VRKABPBPTVTVQH-GWOFURMSSA-N	320.729	-1.781	50	40	DAGB	
Cc1ccc(/C=N\NC(=O)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)cc1	104165964	IQSGMWQCGYNDHK-ZFYXATBSSA-N	312.322	-2.119	50	40	DAGB	
N[C@@H](CS(=O)(=O)S(=O)(=O)C[C@H](N)C(=O)O)C(=O)O	1593208	UOWBXYCLNXLSHI-IMJSIDKUSA-N	304.302	-3.445	50	40	DAGB	
O=C(N/N=C/c1ccccc1O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO	4023291	HKMXVWDLNKWZHA-WLIPHGIASA-N	314.294	-2.722	50	40	DAGB	
O=C[C@H](NC(=O)N(CCCl)N=O)[C@H](O)[C@H](O)[C@H](O)CO	5201400	MKQWTWSXVILIKJ-FKSUSPILSA-N	313.694	-2.439	50	40	DAGB	
N[C@H](CS(=O)(=O)S(=O)(=O)C[C@H](N)C(=O)O)C(=O)O	1593209	UOWBXYCLNXLSHI-ZXZARUISSA-N	304.302	-3.445	50	40	DAGB	
O[C@@H](CNCCCl)[C@@H](O)[C@H](O)[C@H](O)CNCCCl	3831021	MQXVYODZCMMZEM-UTINFBMNSA-N	305.202	-1.913	50	40	DAGB	
N#C/C=C1/C=C[C@@H](O)C[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2061000157	UTHVFIKQCUKKQW-SIPLCSAXSA-N	313.306	-2.058	50	40	DAGB	
C[C@@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)C(=O)NNc1ccccc1	4403317	DHNNIIMWBLEGGM-YHWNTIHCSA-N	300.311	-2.046	50	40	DAGB	
CCOC(=O)/C=C/C(=O)NNS(=O)(=O)CC[C@H](N)C(=O)O	1562559	JBKIBOMUZMVXJP-SDLBARTOSA-N	323.327	-2.142	50	40	DAGB	
NC(=O)NCCC(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12	8986347	LVMSWGYNWKTANR-UHFFFAOYSA-N	318.293	-1.258	50	40	DAGB	
CNC(=S)NNC(=O)[C@H](O)[C@@H](O)C(=O)NNC(=S)NC	8768027	HMVAGAWNYPFWKS-QWWZWVQMSA-N	324.388	-4.042	50	40	DAGB	
C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)C(=O)NNc1ccccc1	4403321	DHNNIIMWBLEGGM-KLIJAQQISA-N	300.311	-2.046	50	40	DAGB	
O=C(N/N=C/[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)c1ccccc1O	16449213	RBBGHBIZWLYRFA-VUCGMJSFSA-N	314.294	-2.456	50	40	DAGB	
O=C(N/N=C/c1ccccc1O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO	104612130	HKMXVWDLNKWZHA-NYVUVBFISA-N	314.294	-2.722	50	40	DAGB	
O=C(N/N=C/[C@H](O)[C@H](O)[C@H](O)[C@H](O)C(=O)O)c1ccncc1	4539126	WREFPPXAWHSISP-IXJCVZTISA-N	313.266	-2.675	50	40	DAGB	
O[C@H](CNCCCl)[C@@H](O)[C@H](O)[C@H](O)CNCCCl	1850027	MQXVYODZCMMZEM-ZYUZMQFOSA-N	305.202	-1.913	50	40	DAGB	in-vitro
O=C(NNc1ccccc1)[C@H](O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO	17313019	NNEITPLYIQNYFI-DNRKLUKYSA-N	314.294	-2.865	50	40	DAGB	
Cc1nc(C)c(C(=O)NNC(N)=O)cc1C(=O)NNC(N)=O	100721451	SCQWRDNTPNOCHZ-UHFFFAOYSA-N	309.286	-1.675	50	40	DAGB	
NNC(=O)c1ncn([C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c1C(=O)NN	4772387	LKUICCMSEVGART-QAGBJWAVSA-N	316.274	-4.298	50	40	DAGB	
O[C@@H]([C@H](O)CNCCCl)[C@H](O)[C@H](O)CNCCCl	3831020	MQXVYODZCMMZEM-KYXWUPHJSA-N	305.202	-1.913	50	40	DAGB	
O=C(N/N=C/c1ccccc1O)N[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O	4040220	GZPVNZQHGWGCOC-AWDGYOPHSA-N	311.294	-1.536	50	40	DAGB	biogenic
O=C(N/N=C\c1ccccc1O)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO	5329978	HKMXVWDLNKWZHA-GVEHVGCJSA-N	314.294	-2.722	50	40	DAGB	
Nc1ccn([C@H]2O[C@@H](CO)[C@@H](O)[C@H]2Br)c(=O)n1	5663903	SELOLWWGBHGBBT-IHBLQFBFSA-N	306.116	-1.160	50	40	DAGB	
CN(C)C(=O)CN1C(=O)[C@@H]2CC/C(=N/NC(N)=O)C[C@H]2C1=O	100721314	PMPOZKGDSGRGJS-AUNJGQQTSA-N	309.326	-1.116	50	40	DAGB	
O=C(NNc1ccccc1)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO	4403294	FKWVLNZRINUMNV-OOCWMUITSA-N	316.310	-3.074	50	40	DAGB	
O=C(NNc1cccc(Cl)c1)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO	5411619	VRKABPBPTVTVQH-ZNSHCXBVSA-N	320.729	-1.781	50	40	DAGB	
O=c1ccn([C@@H]2O[C@H](CO)[C@H](O)[C@@H]2Br)c(=O)[nH]1	21999920	FEUDNSHXOOLCEY-YDKYIBAVSA-N	307.100	-1.449	50	40	DAGB	
Cc1ccc(/C=N/NC(=O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)cc1	38796836	IQSGMWQCGYNDHK-YMIRXIOUSA-N	312.322	-2.119	50	40	DAGB	
O=C1CC[C@@H](C(=O)N/N=C/C=N/NC(=O)[C@@H]2CCC(=O)N2)N1	17058557	XECBOFZQCUKYKF-AHBGHYSFSA-N	308.298	-2.252	50	40	DAGB	
O=C(NNc1ccccc1)[C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO	4403292	FKWVLNZRINUMNV-LZQZFOIKSA-N	316.310	-3.074	50	40	DAGB	
CCOC(=O)/C=C\C(=O)NNS(=O)(=O)CC[C@@H](N)C(=O)O	104193122	JBKIBOMUZMVXJP-KFOINNEUSA-N	323.327	-2.142	50	40	DAGB	
Cc1cc(NC[C@@H](O)[C@@H](O)[C@H](O)CO)c(C(=O)NN)cc1C	4824114	YQDMRZPQAAQZDU-JHJVBQTASA-N	313.354	-1.606	50	40	DAGB	
CN(C)c1nc(SCC(=O)NN)nc(N2CCOCC2)n1	1443447	WBXTTWJMIGKIGG-UHFFFAOYSA-N	313.387	-1.144	50	40	DAGB	
CCOC(=O)/C=C\C(=O)NNS(=O)(=O)CC[C@H](N)C(=O)O	104193118	JBKIBOMUZMVXJP-AVALRIAPSA-N	323.327	-2.142	50	40	DAGB	
O=C(CCl)N[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)CCl	100839554	VITJHZDITKRKMS-WDSKDSINSA-N	303.167	-1.138	50	40	DAGB	
O=C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CN(CCCl)CCCl	5458976	LXKPSLUQJMAWQY-ZYUZMQFOSA-N	304.170	-1.592	50	40	DAGB	
NC(=O)N/N=C\Cn1ccc(=O)n(C/C=N\NC(N)=O)c1=O	8618812	LDKFPKGVDCWPBJ-JAIUMMMNSA-N	310.274	-2.682	50	40	DAGB	
NC(=O)NNC(=O)CCn1[nH]c(=O)c(Cl)c(Cl)c1=O	1623206	FWRFHFRSMICJPX-UHFFFAOYSA-N	310.097	-1.067	50	40	DAGB	
Cn1c(=O)c2c(nc([N+](=O)[O-])n2C[C@@H](O)CCl)n(C)c1=O	3180892	URUVICCHNUZCJW-YFKPBYRVSA-N	317.689	-1.058	50	40	DAGB	
Cc1cc(NC[C@@H](O)[C@H](O)[C@H](O)CO)c(C(=O)NN)cc1C	4824111	YQDMRZPQAAQZDU-UPJWGTAASA-N	313.354	-1.606	50	40	DAGB	
O=C[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CN(CCCl)CCCl	5458954	LXKPSLUQJMAWQY-QCLAVDOMSA-N	304.170	-1.592	50	40	DAGB	
CO[C@@H]1O[C@@H](CI)[C@@H](O)[C@@H](O)[C@H]1O	4802378	MAZXJZHWRBSRKM-CQOGJGKDSA-N	304.080	-1.125	50	40	DAGB	
CN1C2=CC(=O)/C(=N/NC(N)=O)C=C2C[C@@H]1S(=O)(=O)O	100019152	OZCACMPSTYQSMM-DAVUEJTQSA-N	300.296	-1.047	50	40	DAGB	in-vitro
O=C(N/N=C/c1ccccc1O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO	4023290	HKMXVWDLNKWZHA-MVRJGTSGSA-N	314.294	-2.722	50	40	DAGB	
Cn1c(N)c(/C=N/NC(=O)c2ccncc2)c(=O)n(C)c1=O	4141881	RAQSSGNSFZZNAS-FRKPEAEDSA-N	302.294	-1.175	50	40	DAGB	
C[C@@H](Nc1n[nH]c(=O)[nH]c1=O)C(=O)N/N=C/c1cccnc1	56029	PJHCSKGTBUPSIK-IOCLVDNSSA-N	303.282	-1.196	50	40	DAGB	
O=C[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CN(CCCl)CCCl	5458967	LXKPSLUQJMAWQY-SGIHWFKDSA-N	304.170	-1.592	50	40	DAGB	
CO[C@H]([C@@H](O)CO)[C@H](O)[C@H](O)C(=O)NNc1ccccc1	5732078	HYXALBNMTPMXOQ-WHOHXGKFSA-N	300.311	-1.780	50	40	DAGB	
C[C@H](Nc1n[nH]c(=O)[nH]c1=O)C(=O)N/N=C/c1ccncc1	96440	NKEXTNLGLAPHOC-GYXDYACRSA-N	303.282	-1.196	50	40	DAGB	biogenic,in-vitro
O=C[C@H](NC(=O)N(CCCl)N=O)[C@@H](O)[C@H](O)[C@H](O)CO	5201404	MKQWTWSXVILIKJ-LXGUWJNJSA-N	313.694	-2.439	50	40	DAGB	in-vitro
O=c1ccn([C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2Br)c(=O)[nH]1	6283680	FEUDNSHXOOLCEY-JPCMASIJSA-N	307.100	-1.449	50	40	DAGB	
O=C(CNc1n[nH]c(=O)[nH]c1=O)N/N=C/c1ccc(O)cc1	1781719	PXGWRPAPYXFQOV-LHHJGKSTSA-N	304.266	-1.274	50	40	DAGB	
O=C(N/N=C/[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)c1ccccc1O	16449216	RBBGHBIZWLYRFA-NYVUVBFISA-N	314.294	-2.456	50	40	DAGB	
O=C(NN[C@@H]1CS(=O)(=O)C[C@H]1O)c1cccc([N+](=O)[O-])c1	575422513	LRGFDVVKZHIKHZ-NXEZZACHSA-N	315.307	-1.013	50	40	DAGB	
CN(C)C(=O)CN1C(=O)[C@H]2CC/C(=N/NC(N)=O)C[C@H]2C1=O	100721317	PMPOZKGDSGRGJS-PIWFXFTHSA-N	309.326	-1.116	50	40	DAGB	
O=C(N/N=C/[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)c1ccccc1O	5514676	RBBGHBIZWLYRFA-MVRJGTSGSA-N	314.294	-2.456	50	40	DAGB	
O=C(NNc1cccc(Cl)c1)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO	5411615	VRKABPBPTVTVQH-DBIOUOCHSA-N	320.729	-1.781	50	40	DAGB	
O=C(NN[C@@H]1CS(=O)(=O)C[C@@H]1O)c1cccc([N+](=O)[O-])c1	575422527	LRGFDVVKZHIKHZ-ZJUUUORDSA-N	315.307	-1.013	50	40	DAGB	
Cc1ccc(NNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)cc1	5411639	ZPRUOKMBRQIDJM-WISYIIOYSA-N	300.311	-2.126	50	40	DAGB	
O=C(NNc1ccccc1)[C@@H](O)C(=O)[C@@H](O)[C@H](O)[C@H](O)CO	4721698	NNEITPLYIQNYFI-SVDPJWKOSA-N	314.294	-2.865	50	40	DAGB	
Cn1c(N)c(/C=N/NC(=O)C[n+]2ccccc2)c(=O)n(C)c1=O	1770631	VMTVHKMHTMVUGW-UHFFFAOYSA-O	317.329	-1.896	50	40	DAGB	
OC[C@H]1OCO[C@@H](CI)[C@@H](O)[C@@H]1O	5600546	YSWHHQKOTZDSIL-BDVNFPICSA-N	304.080	-1.123	50	40	DAGB	
O=C(NN[C@H]1CS(=O)(=O)C[C@@H]1O)c1cccc([N+](=O)[O-])c1	575422525	LRGFDVVKZHIKHZ-UWVGGRQHSA-N	315.307	-1.013	50	40	DAGB	
O=C1NC(=O)C(SSC2C(=O)NC(=O)NC2=O)C(=O)N1	1763175	GZDJZHFVNOEITO-UHFFFAOYSA-N	318.292	-2.163	50	40	DAGB	
O=C(N/N=C\[C@@H](O)[C@H](O)[C@H](O)[C@H](O)C(=O)O)c1ccncc1	85883381	WREFPPXAWHSISP-RMENZQKESA-N	313.266	-2.675	50	40	DAGB	
O=C(CSc1ncn[nH]1)NNC(=O)CSc1ncn[nH]1	15777495	BOAUYOYDFXZFOL-UHFFFAOYSA-N	314.356	-1.045	50	40	DAGB	
O=C1CC[C@@H](C(=O)N/N=C\C=N\NC(=O)[C@@H]2CCC(=O)N2)N1	104185966	XECBOFZQCUKYKF-XKHPRRFGSA-N	308.298	-2.252	50	40	DAGB	
OC[C@@H]1OCO[C@@H](CI)[C@@H](O)[C@H]1O	5600553	YSWHHQKOTZDSIL-YTLHQDLWSA-N	304.080	-1.123	50	40	DAGB	
Cn1c(=O)c2c(=O)cc(NNC(=O)CC#N)[nH]c2n(C)c1=O	13555326	YTJGYTOVJIZDRK-UHFFFAOYSA-N	304.266	-1.718	50	40	DAGB	
O=NN(CCCl)C(=O)N[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	5411462	ZOBLZIKVIHJGRN-SLBCVNJHSA-N	313.694	-2.282	50	40	DAGB	
CO[C@@H]1O[C@@H](CI)[C@@H](O)[C@@H](O)[C@@H]1O	4802380	MAZXJZHWRBSRKM-CXNFULCWSA-N	304.080	-1.125	50	40	DAGB	
O=c1ccn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2Br)c(=O)[nH]1	21999925	FEUDNSHXOOLCEY-CCXZUQQUSA-N	307.100	-1.449	50	40	DAGB	
C/C(NNC(=O)c1nnc(N)[nH]1)=C1/C(=O)NC(=O)SC1=O	101152304	LEVPSOSRZXNBQL-NSCUHMNNSA-N	311.283	-1.595	50	40	DAGB	
O=C[C@@H](NC(=O)N(CCCl)N=O)[C@H](O)[C@H](O)[C@H](O)CO	5201402	MKQWTWSXVILIKJ-OOJXKGFFSA-N	313.694	-2.439	50	40	DAGB	
O=C(N/N=C/c1ccccc1O)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO	12652911	HKMXVWDLNKWZHA-AWDGYOPHSA-N	314.294	-2.722	50	40	DAGB	biogenic
Cc1ccc(/C=N\NC(=O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)cc1	104165956	IQSGMWQCGYNDHK-ODDAJORSSA-N	312.322	-2.119	50	40	DAGB	
NC(=O)/C(=N/NC(=O)C[n+]1ccccc1)[C@H]1NC(=O)NC1=O	17214671	PNYVCEATKIHDHC-SECBINFHSA-O	305.274	-2.860	50	40	DAGB	
N#C/C=C1/C=C[C@@H](O)C[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2061000158	UTHVFIKQCUKKQW-VAEVTZDISA-N	313.306	-2.058	50	40	DAGB	
O=C(C[C@@H](O)[C@@H](O)[C@H]1C[C@H](O)C(=O)O1)NNc1ccccc1	37245933	RMCNWFVHFASVAT-LSCVPOLPSA-N	310.306	-1.082	50	40	DAGB	
N#C/C=C1\C=C[C@@H](O)C[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	38604957	UTHVFIKQCUKKQW-CGAAFMNDSA-N	313.306	-2.058	50	40	DAGB	biogenic,in-vitro
NNC(=O)c1ncn([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c1C(=O)NN	4772388	LKUICCMSEVGART-NLECTCOWSA-N	316.274	-4.298	50	40	DAGB	
CNC(=S)NNC(=O)[C@@H](O)[C@H](O)C(=O)NNC(=S)NC	8768025	HMVAGAWNYPFWKS-IMJSIDKUSA-N	324.388	-4.042	50	40	DAGB	
O=NN(CCCl)C(=O)N[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	5411464	ZOBLZIKVIHJGRN-FMGWEMOISA-N	313.694	-2.282	50	40	DAGB	
NC(=S)NNC(=O)c1ccc(C(=O)NNC(N)=S)cc1	3107535	XERRIVLINPTESG-UHFFFAOYSA-N	312.380	-1.357	50	40	DAGB	
CN(C)C(=O)CN1C(=O)[C@H]2CC/C(=N/NC(N)=O)C[C@@H]2C1=O	4808974	PMPOZKGDSGRGJS-KTJGFXEKSA-N	309.326	-1.116	50	40	DAGB	
O=C(NNS(=O)(=O)C1=CCS(=O)(=O)C1)c1cccnc1	71280410	KODBGFYHVYQUIY-UHFFFAOYSA-N	317.348	-1.042	50	40	DAGB	
O=C(N/N=C/[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)c1ccccc1O	5514678	RBBGHBIZWLYRFA-KIOBNTFASA-N	314.294	-2.456	50	40	DAGB	
Nc1nccnc1C(=O)NNC(=O)C[C@H]1CCS(=O)(=O)C1	36760693	LHXONVLNFAAOSL-SSDOTTSWSA-N	313.339	-1.355	50	40	DAGB	
O=C(N/N=C/c1ccccc1O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO	104612134	HKMXVWDLNKWZHA-VECSEVORSA-N	314.294	-2.722	50	40	DAGB	
O=C(N/N=C/[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)c1ccccc1O	5514670	RBBGHBIZWLYRFA-YCZGOMOFSA-N	314.294	-2.456	50	40	DAGB	
CO[C@@H]([C@H](O)CO)[C@H](O)[C@H](O)C(=O)NNc1ccccc1	5732075	HYXALBNMTPMXOQ-WYUUTHIRSA-N	300.311	-1.780	50	40	DAGB	
N/C(=N\[N+](=O)[O-])NNC(=O)CCC(=O)NN/C(N)=N/[N+](=O)[O-]	13477056	PGWPXSCBCFHSTJ-UHFFFAOYSA-N	320.226	-3.979	50	40	DAGB	
CN(C)C(=O)CN1C(=O)[C@H]2CC/C(=N\NC(N)=O)C[C@@H]2C1=O	103869799	PMPOZKGDSGRGJS-XOBMQPGPSA-N	309.326	-1.116	50	40	DAGB	
NC(=O)N/N=C\Cn1ccc(=O)n(C/C=N/NC(N)=O)c1=O	17376784	LDKFPKGVDCWPBJ-XDUSUKGOSA-N	310.274	-2.682	50	40	DAGB	
NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NC/C=N/NC(N)=O	4899759	LMBXWLGKUIYESA-TUVHXFJTSA-N	320.353	-1.557	50	40	DAGB	
O=C1CC[C@H](C(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)N1	12762756	LCNVRVORXJHUFZ-SECBINFHSA-N	315.289	-1.037	50	40	DAGB	
NCC(=O)N(CC=NNC(N)=O)[C@@H](Cc1ccccc1)C(N)=O	1933205218	FDRQHAMOTYYDTP-NSHDSACASA-N	320.353	-1.476	50	40	DAGB	
O=C(N/N=C/c1ccccc1O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO	4023288	HKMXVWDLNKWZHA-KIOBNTFASA-N	314.294	-2.722	50	40	DAGB	biogenic
CO[C@H]([C@H](O)CO)[C@H](O)[C@H](O)C(=O)NNc1ccccc1	5732076	HYXALBNMTPMXOQ-WISYIIOYSA-N	300.311	-1.780	50	40	DAGB	
NNC(=O)c1ncn([C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c1C(=O)NN	4772389	LKUICCMSEVGART-UNNHYBLFSA-N	316.274	-4.298	50	40	DAGB	
O=c1ccn([C@H]2O[C@@H](CO)[C@@H](O)[C@H]2Br)c(=O)[nH]1	6283679	FEUDNSHXOOLCEY-IHBLQFBFSA-N	307.100	-1.449	50	40	DAGB	
O=C(N/N=C\[C@H](O)[C@H](O)[C@H](O)[C@H](O)C(=O)O)c1ccncc1	85883377	WREFPPXAWHSISP-ZQZVOTCWSA-N	313.266	-2.675	50	40	DAGB	
CN(C)C(=O)CN1C(=O)[C@@H]2CC/C(=N\NC(N)=O)C[C@H]2C1=O	105881715	PMPOZKGDSGRGJS-BYNQCWIMSA-N	309.326	-1.116	50	40	DAGB	
N#C/C=C1\C=C[C@@H](O)C[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	299888712	UTHVFIKQCUKKQW-GEHWVIPASA-N	313.306	-2.058	50	40	DAGB	
CO[C@H]1O[C@@H](CI)[C@@H](O)[C@@H](O)[C@H]1O	4802376	MAZXJZHWRBSRKM-CJZRUXIPSA-N	304.080	-1.125	50	40	DAGB	
Cn1c(N)c(/C=N/NC(=O)c2cccnc2)c(=O)n(C)c1=O	4141882	XLPJIKHBRGBWJV-FRKPEAEDSA-N	302.294	-1.175	50	40	DAGB	
Cc1ccc(/C=N/NC(=O)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)cc1	38796838	IQSGMWQCGYNDHK-RAMWHLDWSA-N	312.322	-2.119	50	40	DAGB	
O=NN(CCCl)C(=O)N[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	5411460	ZOBLZIKVIHJGRN-WCMLQCRESA-N	313.694	-2.282	50	40	DAGB	
Cn1c(=O)c2c(nc([N+](=O)[O-])n2C[C@H](O)CCl)n(C)c1=O	2581941	URUVICCHNUZCJW-RXMQYKEDSA-N	317.689	-1.058	50	40	DAGB	
NNC(=O)CN(CC(=O)NN)NC(=S)Nc1ccccc1	4883670	GXPXBCXOVOUVCF-UHFFFAOYSA-N	311.371	-1.830	50	40	DAGB	
O=C(CCl)N[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)CCl	100839551	VITJHZDITKRKMS-PHDIDXHHSA-N	303.167	-1.138	50	40	DAGB	
O=C(NN[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)c1ccccc1O	253560089	AJJXTADPDWXBNP-VFZGUZRASA-N	314.294	-2.574	50	40	DAGB	
CONC(=O)NP(=O)(NC(=O)NOC)NC(=O)NOC	100419065	XGOYRZLYOCNTIV-UHFFFAOYSA-N	314.195	-1.324	50	40	DAGB	
Cc1ccc(S(=O)(=O)NCC(=O)NNS(C)(=O)=O)cc1	95116922	RFCAADWGFGUGTR-UHFFFAOYSA-N	321.380	-1.146	50	40	DAGB	
O=C(CCNc1n[nH]c(=O)[nH]c1=O)N/N=C/c1ccccn1	55811	YUHLLOUIVRBFPR-VIZOYTHASA-N	303.282	-1.195	50	40	DAGB	
O=C(CCc1n[nH]c(=O)[nH]c1=O)N/N=C/c1ccc(O)cc1O	1800927	OJDCCZBNZULHTC-MKMNVTDBSA-N	319.277	-1.048	50	40	DAGB	
O[C@@H](CNCCCl)[C@H](O)[C@H](O)[C@H](O)CNCCCl	3831019	MQXVYODZCMMZEM-YNFQOJQRSA-N	305.202	-1.913	50	40	DAGB	
O=C(NN[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O)c1ccccc1O	253560086	AJJXTADPDWXBNP-ATFQUMLSSA-N	314.294	-2.574	50	40	DAGB	
Cc1cc(NC[C@H](O)[C@H](O)[C@H](O)CO)c(C(=O)NN)cc1C	4824107	YQDMRZPQAAQZDU-XQQFMLRXSA-N	313.354	-1.606	50	40	DAGB	
O=C(NN[C@H]1CS(=O)(=O)C[C@H]1O)c1cccc([N+](=O)[O-])c1	575422526	LRGFDVVKZHIKHZ-VHSXEESVSA-N	315.307	-1.013	50	40	DAGB	
O=C1CC[C@@H](C(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)N1	12762752	LCNVRVORXJHUFZ-VIFPVBQESA-N	315.289	-1.037	50	40	DAGB	
O=C(NNS(=O)(=O)[C@H]1CCS(=O)(=O)C1)c1ccncc1	71283787	BPVFYBJIKBZRQH-VIFPVBQESA-N	319.364	-1.167	50	40	DAGB	
COCCNC(=O)C(=O)N/N=C/c1ccc(OCC(N)=O)cc1	59959736	FPAYJBXYAMBDEA-CAOOACKPSA-N	322.321	-1.237	50	40	DAGB	
Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)NN)cc1	3112419	KJAZNNYPRUIMKM-UHFFFAOYSA-N	300.340	-1.621	50	40	DAGB	
O=C(N/N=C/c1ccccc1O)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO	12652915	HKMXVWDLNKWZHA-KOFGBRLJSA-N	314.294	-2.722	50	40	DAGB	biogenic
O=C(N/N=C/c1ccccc1O)[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO	12652904	HKMXVWDLNKWZHA-YCZGOMOFSA-N	314.294	-2.722	50	40	DAGB	biogenic
C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)C(=O)NNc1ccccc1	4403319	DHNNIIMWBLEGGM-IXLGGCIWSA-N	300.311	-2.046	50	40	DAGB	
NNC(=O)c1nnn(-c2nonc2N)c1CN1CCOCC1	19798071	HXVIXDZDBSWEPM-UHFFFAOYSA-N	309.290	-2.332	50	40	DAGB	
NNC(=O)c1cnn(-c2ccc(N(CCO)CCO)nn2)c1N	1580561	CWEWHPGGDUXDIU-UHFFFAOYSA-N	322.329	-2.361	50	40	DAGB