smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Nc1nc2c(ncn2[C@@H]2O[C@H](CCl)[C@@H](O)[C@H]2O)c(=O)[nH]1	58638340	YBIZLKQGKRXLAZ-UUOKFMHZSA-N	301.690	-1.440	50	1	DAGF	in-vitro
CNCCCNC[C@H](O)C[C@@H](N)CC(=O)NN(C)CC(=O)O	473122201	RIOYDABEEJEXKR-GHMZBOCLSA-N	319.406	-2.299	50	1	DAGF	
CN(CC(=O)O)NC(=O)C[C@@H](N)C[C@@H](O)CNCCCN	473136915	VBFFWDLIKBQABV-VHSXEESVSA-N	305.379	-2.559	50	1	DAGF	
CCCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)N(C)N=O	5821523	CRYSPCRGLHJZTE-ILAIQSSSSA-N	321.330	-1.067	50	1	DAGF	
Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=O)CCl)O2)c(=O)[nH]c1=O	1578328	SNBCLPGEMZEWLU-XKSSXDPKSA-N	317.729	-1.152	50	1	DAGF	
O=C(NCB(O)O)S(=O)(=O)c1ccnc(-c2nn[nH]n2)c1	1857759880	ALJNKILBJVRYAA-UHFFFAOYSA-N	312.076	-2.243	50	1	DAGF	
OC1[C@@H](O)[C@H](O)C(CI)[C@H](O)[C@H]1O	28761865	MVAHLLCBZUWWON-MVWKSXLKSA-N	304.080	-2.144	50	1	DAGF	
C[C@@H](N)CCNC[C@H](O)C[C@@H](N)CC(=O)NN(C)CC(=O)O	473123295	VDUOLTZWNRENCP-GMTAPVOTSA-N	319.406	-2.171	50	1	DAGF	
CN(C)S(=O)(=O)c1ncn2c(=O)n(CCCl)nnc12	27190108	YJQJSSZIAYYUEO-UHFFFAOYSA-N	306.735	-1.225	50	1	DAGF	
O=NN(CCCl)C(=O)N[C@H]1[C@@H](O)O[C@@H](CO)[C@@H](O)[C@H]1O	3830541	MYBLAOJMRYYKMS-SHGPDSBTSA-N	313.694	-2.282	50	1	DAGF	
O=c1[nH]c(=O)n([C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1CCCl	28225554	VSWBKXJDWJNKJN-ODXREFDESA-N	306.702	-2.071	50	1	DAGF	
N#CC=C1CC[C@@H](O)C[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356547070	XUADVCPTUKSFOK-NFIBXUFNSA-N	315.322	-1.834	50	1	DAGF	
Cn1c(=O)n(C)c(=O)n(CC[S@](=O)CC(=O)NN)c1=O	84704366	JSZGNBNVMJQYER-HXUWFJFHSA-N	305.316	-4.016	50	1	DAGF	
O=C(NNc1ccc([N+](=O)[O-])cc1)[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O	299815535	NIELHAKRVUBSSA-LMLFDSFASA-N	313.266	-1.481	50	1	DAGF	
O=C[C@H](NC(=O)N(CCCl)N=O)[C@H](O)[C@@H](O)[C@H](O)CO	5113328	MKQWTWSXVILIKJ-YWIQKCBGSA-N	313.694	-2.439	50	1	DAGF	
NCC(=O)NCC(=O)NNc1ccc(S(N)(=O)=O)cc1	13800626	FKIFGIZHFPIJND-UHFFFAOYSA-N	301.328	-2.148	50	1	DAGF	
CN(CC(=O)O)NC(=O)C[C@H](N)C[C@@H](O)CNCCCN	473123282	VBFFWDLIKBQABV-NXEZZACHSA-N	305.379	-2.559	50	1	DAGF	
N[C@@]1(C(=O)O)CN(C[C@@H]2COCCN2)C[C@@H]1CCCB(O)O	1857611297	KBOTZNVDRDMHLL-LOWVWBTDSA-N	315.179	-2.058	50	1	DAGF	
O=C1NC(=O)C(C(=O)NNC(=O)Nc2ccccc2)C(=O)N1	1772613935	KVSZDIZNYFZKGP-UHFFFAOYSA-N	305.250	-1.179	50	1	DAGF	
OC1[C@@H](O)[C@H](O)C(CI)[C@@H](O)[C@@H]1O	28761867	MVAHLLCBZUWWON-MYRJGQQHSA-N	304.080	-2.144	50	1	DAGF	
Nc1ccn([C@@H]2O[C@H](CO)[C@@H](Br)[C@@H]2O)c(=O)n1	26024749	QTEKKHIYAYCAMK-CCXZUQQUSA-N	306.116	-1.160	50	1	DAGF	
N#CC=C1CC[C@H](O)C[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356547072	XUADVCPTUKSFOK-QSAXWINLSA-N	315.322	-1.834	50	1	DAGF	
Cn1c(=O)n(C)c(=O)n(CS(=O)(=O)CC(=O)NN)c1=O	84705767	NUDAVGJBHCHKSK-UHFFFAOYSA-N	307.288	-4.392	50	1	DAGF	
Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@H](Br)[C@H]2O)cc1F	168713660	XSZDWRCVQOJTMR-BYPJNBLXSA-N	324.106	-1.021	50	1	DAGF	
CC(=O)N1CCC[C@H]1C(=O)N[C@H](CCCN=C(N)N)B(O)O	170194949	BIDABHUSFRQVKW-VHSXEESVSA-N	313.167	-2.452	50	1	DAGF	
O=C(CBr)N[C@H]1[C@H](O)O[C@@H](CO)[C@@H](O)[C@@H]1O	169373319	WOSGOBKGQFRKCM-GRCPKETISA-N	300.105	-2.703	50	1	DAGF	
O=C(N/N=C/[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO)c1cccs1	299845508	AONLRLYHYNICHF-CBCODGJGSA-N	304.324	-2.100	50	1	DAGF	
O=C(CBr)N[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O	17109083	FBDRYZFAXBPZEB-PCRKCNGPSA-N	300.105	-2.703	50	1	DAGF	
CN(CC(=O)O)NC(=O)C[C@H](CCN)NC(=O)[C@@H](N)CN	1857573841	QETGRSTVCMVGFZ-YUMQZZPRSA-N	304.351	-3.456	50	1	DAGF	
NNC(=O)c1ccc2nc(CNCCNCC(=O)O)[nH]c2c1	587229069	MQHRPFZCZFCDGN-UHFFFAOYSA-N	306.326	-1.070	50	1	DAGF	
CN(CC(=O)O)NC(=O)C[C@H](N)C[C@H](O)CN1CC[C@@H](N)C1	26492097	OKMUBDWAALFIGE-MXWKQRLJSA-N	317.390	-2.465	50	1	DAGF	
N#CC=C1CC[C@H](O)C[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356547073	XUADVCPTUKSFOK-UCHMUAQZSA-N	315.322	-1.834	50	1	DAGF	
O=C(CBr)N[C@@H]1[C@@H](O)O[C@@H](CO)[C@@H](O)[C@@H]1O	13545223	WOSGOBKGQFRKCM-JTCXFCSWSA-N	300.105	-2.703	50	1	DAGF	
CN(CC(=O)O)NC(=O)C[C@H](N)C[C@@H](O)CNC[C@@H](F)CN	473114029	IFFMKIBXNFUURO-IVZWLZJFSA-N	323.369	-2.611	50	1	DAGF	
O=NN(CCCl)C(=O)N[C@H]1[C@@H](O)O[C@@H](CO)[C@@H](O)[C@@H]1O	3830543	MYBLAOJMRYYKMS-WCMLQCRESA-N	313.694	-2.282	50	1	DAGF	
O=C(NN=Cc1ccccc1O)N[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	2356580991	GZPVNZQHGWGCOC-NNYUYHANSA-N	311.294	-1.536	50	1	DAGF	
C[C@](Cn1ccnn1)([C@@H](N/C=C/C=O)C(=O)O)[SH](=O)=O	96006090	ANZZKUOZZHRUQC-QZWDGIGVSA-N	302.312	-1.596	50	1	DAGF	in-vivo
COCCNC[C@H](O)C[C@@H](N)CC(=O)NN(C)CC(=O)O	473135420	ICJICTKWFVYSRA-NXEZZACHSA-N	306.363	-2.262	50	1	DAGF	
CS(=O)(=O)NNC(=O)CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O	3905352	MNHGGVJCKDKZDP-MBLNEYKQSA-N	313.335	-1.626	50	1	DAGF	
Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](Br)[C@@H]2O)cc1F	26024775	XSZDWRCVQOJTMR-MNCSTQPFSA-N	324.106	-1.021	50	1	DAGF	
CN(CC(=O)O)NC(=O)C[C@H](N)C[C@@H](O)CN1CCOCC1	26479639	FNZKMVDAMNAKDV-GHMZBOCLSA-N	318.374	-2.165	50	1	DAGF	
O=C(CBr)N[C@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1O	5411397	WOSGOBKGQFRKCM-RHROMQPHSA-N	300.105	-2.703	50	1	DAGF	
C[C@]1(/C=C/C#N)[C@H](C(=O)O)N2C(=O)[C@@H](CO)[C@H]2S1(=O)=O	33967650	NZNHTQCXWOAKDT-SURRTWTPSA-N	300.292	-1.517	50	1	DAGF	
O=NNC(=O)NC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O	49019144	GHZAKUNZIYESNI-XVFCMESISA-N	315.242	-2.864	50	1	DAGF	
O=C(CCCCC(=O)N/N=C/c1ccc(B(O)O)cc1)NO	169872964	DJUIGODVOSDCOH-OQLLNIDSSA-N	307.115	-1.118	50	1	DAGF	
C[C@@H](CN)CNC[C@H](O)C[C@@H](N)CC(=O)NN(C)CC(=O)O	473125772	YGVPHTVJOBYAQE-HBNTYKKESA-N	319.406	-2.313	50	1	DAGF	
C[C@@H](NC(=O)c1ncn2c(=O)n(CCCl)nnc12)C(=O)O	27633779	UWJXPUVLXLXJRQ-RXMQYKEDSA-N	314.689	-1.272	50	1	DAGF	
N#CC=C1C=C[C@H](O)C[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356706159	UTHVFIKQCUKKQW-QSAXWINLSA-N	313.306	-2.058	50	1	DAGF	
CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)B(O)O	170194946	BIDABHUSFRQVKW-UWVGGRQHSA-N	313.167	-2.452	50	1	DAGF	
Cc1cn([C@@H]2C[C@@H](O)[C@H](CNC(=O)CCl)O2)c(=O)[nH]c1=O	5707310	SNBCLPGEMZEWLU-WEDXCCLWSA-N	317.729	-1.152	50	1	DAGF	
CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)c1cnccn1)B(O)O	195198127	QAKXRWXETVFKEW-QWRGUYRKSA-N	324.146	-1.890	50	1	DAGF	
CO[C@H]1O[C@H](CI)[C@@H](O)[C@H](O)[C@@H]1O	34442738	MAZXJZHWRBSRKM-VEIUFWFVSA-N	304.080	-1.125	50	1	DAGF	
CO[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C(=O)NNc1ccccc1	254113755	HYXALBNMTPMXOQ-DDHJBXDOSA-N	300.311	-1.780	50	1	DAGF	
N#C/C=C1/CC[C@@H](O)C[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	238741060	XUADVCPTUKSFOK-YIVVZXMPSA-N	315.322	-1.834	50	1	DAGF	
N#CC=C1CC[C@@H](O)C[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356547071	XUADVCPTUKSFOK-OSBMCDJTSA-N	315.322	-1.834	50	1	DAGF	
O=C(CSc1n[nH]c(=O)[nH]c1=O)NN/C=C1\C=CC=CC1=O	13119326	ZDAMZPDGMBACKW-FNORWQNLSA-N	321.318	-1.250	50	3	DAGF	
N[C@](CCCC[B-](O)(O)O)(CCN1CCC(O)CC1)C(=O)O	206367558	BEHPULZVRPBIEQ-CYBMUJFWSA-N	319.187	-1.299	50	1	DAGF	in-vitro
Nc1ccn([C@H]2O[C@@H](CO)[C@@H](Br)[C@@H]2O)c(=O)n1	26024743	QTEKKHIYAYCAMK-UCVXFZOQSA-N	306.116	-1.160	50	1	DAGF	
CN(CC(=O)O)NC(=O)C[C@H](N)C[C@@H](O)CN1CCNCC1	26479622	GFGIWBYIOHPHSM-GHMZBOCLSA-N	317.390	-2.592	50	1	DAGF	
N#C[C@H](O)c1ccc(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1	2356545901	RSMOYVJMDHSTEV-IIEFLBBWSA-N	311.290	-1.578	50	1	DAGF	
CN(CC(=O)O)NC(=O)C[C@H](N)C[C@@H](O)CNCCC(N)=O	473122084	REWJXSRLCVEZDN-RKDXNWHRSA-N	319.362	-3.033	50	1	DAGF	
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	238753583	UTHVFIKQCUKKQW-VIRGIIOGSA-N	313.306	-2.058	50	1	DAGF	
Cc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)CCl)O2)c(=O)[nH]c1=O	6069507	SNBCLPGEMZEWLU-QXFUBDJGSA-N	317.729	-1.152	50	1	DAGF	
O=C(CN1C(=O)N[C@H]2NC(=O)N[C@H]21)NN/C=C1\C=CC=CC1=O	13120507	NREQEGIFCRACAY-HQVCXTMKSA-N	318.293	-1.824	50	3	DAGF	
NS(=O)(=O)c1nn2c(=O)n(CCCl)c(=O)nc2s1	26171663	JARVWKSGUSNMOQ-UHFFFAOYSA-N	311.732	-1.801	50	1	DAGF	
NNC(=O)c1ccc(-n2nnc(C(=O)NN)c2C(=O)NN)cc1	1647416	UHROECAAMYMOAW-UHFFFAOYSA-N	319.285	-2.922	50	1	DAGF	
CCCN(N=O)C(=O)N[C@H]1[C@H](OC)O[C@H](CO)[C@@H](O)[C@@H]1O	169347160	MYDNBULWGCBGCP-VVULQXIFSA-N	307.303	-1.457	50	1	DAGF	
O=C(CBr)N[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	169357956	FBDRYZFAXBPZEB-KYEGTCRESA-N	300.105	-2.703	50	1	DAGF	
C[C@](Cn1ccnn1)([C@@H](N/C=C\C=O)C(=O)O)[SH](=O)=O	103557701	ANZZKUOZZHRUQC-AARLMMRRSA-N	302.312	-1.596	50	1	DAGF	in-vivo
O=NN(CCCl)C(=O)N[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O	17060498	ZOBLZIKVIHJGRN-GWVFRZDISA-N	313.694	-2.282	50	1	DAGF	
CCCCN(N=O)C(=O)N[C@H]1[C@@H](OC)O[C@H](CO)[C@@H](O)[C@@H]1O	169347161	GVXBCIWSMUJDPZ-ILAIQSSSSA-N	321.330	-1.067	50	1	DAGF	
O=C(NNc1ccc([N+](=O)[O-])cc1)[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O	299815536	NIELHAKRVUBSSA-VPOLOUISSA-N	313.266	-1.481	50	1	DAGF	
C[C@]1(/C=C\C#N)[C@H](C(=O)O)N2C(=O)[C@@H](CO)[C@H]2S1(=O)=O	33967649	NZNHTQCXWOAKDT-QORJOZBASA-N	300.292	-1.517	50	1	DAGF	
Cc1cn([C@@H]2C[C@H](O)[C@H](CNC(=O)CCl)O2)c(=O)[nH]c1=O	5707308	SNBCLPGEMZEWLU-NRPADANISA-N	317.729	-1.152	50	1	DAGF	
O=C(CBr)N[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O	4534295	FBDRYZFAXBPZEB-OZIYMAILSA-N	300.105	-2.703	50	1	DAGF	
OC[C@@H]1O[C@H](OOO[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O	2356330670	ODDRJEWIOFPAOL-WUAFESOFSA-N	314.243	-4.256	50	1	DAGF	
CCOC(=O)NNC(=O)NCCNC(=O)NNC(=O)OCC	73311795	JZJLOUGLJASFCL-UHFFFAOYSA-N	320.306	-1.093	50	1	DAGF	
O=C(CBr)N[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]1O	26835922	FBDRYZFAXBPZEB-RMQBOJNYSA-N	300.105	-2.703	50	1	DAGF	
Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2Br)c(=O)n1	17142942	SELOLWWGBHGBBT-PXBUCIJWSA-N	306.116	-1.160	50	1	DAGF	
CN(CC(=O)O)NC(=O)C[C@H](N)C[C@@H](O)CNCC1CNC1	473111653	AZKHWOLCFUHPRN-GHMZBOCLSA-N	317.390	-2.689	50	1	DAGF	
N#CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cn3cnnn3)CN2C1	40475134	HUHRLLNMRXEAOC-ZETCQYMHSA-N	318.253	-2.907	50	1	DAGF	
NCC(=O)N1C[C@@H]2C[C@@](N)(C(=O)O)[C@@H](CCCB(O)O)[C@@H]2C1	1911581740	ZFYKCINOSWLJSW-WJZNIJOASA-N	313.163	-1.925	50	1	DAGF	
NNC(=O)CN1c2nonc2N(CC(=O)NN)c2nonc21	82053344	GVTVWLSCDGNBBS-UHFFFAOYSA-N	310.234	-2.978	50	1	DAGF	
O=NN(CCCl)C(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O	39252228	MYBLAOJMRYYKMS-FMDGEEDCSA-N	313.694	-2.282	50	1	DAGF	
O=C[C@H](NC(=O)N(CCCl)N=O)[C@H](O)[C@@H](O)[C@@H](O)CO	5113329	MKQWTWSXVILIKJ-XAMCCFCMSA-N	313.694	-2.439	50	1	DAGF	
Nc1ccn([C@@H]2O[C@H](CO)[C@@H](Br)[C@H]2O)c(=O)n1	253634309	QTEKKHIYAYCAMK-XVFCMESISA-N	306.116	-1.160	50	1	DAGF	
O=C(NNc1ccc([N+](=O)[O-])cc1)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O	17218092	NIELHAKRVUBSSA-CHWFTXMASA-N	313.266	-1.481	50	1	DAGF	
CN(CC(=O)O)NC(=O)C[C@H](CCN)NC(=O)[C@@H](N)CCN	1857576386	QAUMDZWHLSOILF-IUCAKERBSA-N	318.378	-3.066	50	1	DAGF	
Cn1c(=O)n(C)c(=O)n(CC[S@@](=O)CC(=O)NN)c1=O	84704363	JSZGNBNVMJQYER-FQEVSTJZSA-N	305.316	-4.016	50	1	DAGF	
Cc1cn([C@H]2C[C@@H](O)[C@@H](CNC(=O)CCl)O2)c(=O)[nH]c1=O	17129019	SNBCLPGEMZEWLU-NQMVMOMDSA-N	317.729	-1.152	50	1	DAGF	
O=S(=O)(NCB(O)O)c1ccc(-c2nn[nH]n2)c(Cl)c1	201939061	PFJLILKXTJECEF-UHFFFAOYSA-N	317.523	-1.190	50	1	DAGF	in-vitro
O=S(=O)(NCB(O)O)c1ccc(-c2nn[nH]n2)cc1Cl	201939142	NTFXGXIWMYOTKN-UHFFFAOYSA-N	317.523	-1.190	50	1	DAGF	in-vitro
CCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)N(C)N=O	5821544	CRYSPCRGLHJZTE-ISUQUUIWSA-N	321.330	-1.067	50	1	DAGF	
NS(=O)(=O)NCCSSCCNS(N)(=O)=O	13488104	MVZGRUJXBADFPR-UHFFFAOYSA-N	310.448	-2.046	50	1	DAGF	
CCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)N(C)N=O	33824398	QPDOWPQMZIHMOJ-IGORNWKESA-N	307.303	-1.457	50	1	DAGF	
C[C@@H](CCN)NC[C@H](O)C[C@@H](N)CC(=O)NN(C)CC(=O)O	473113379	GPNWPAUGVVPQGY-HBNTYKKESA-N	319.406	-2.171	50	1	DAGF	
O=C(NNc1ccc([N+](=O)[O-])cc1)[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	5841844	NIELHAKRVUBSSA-VLEAKVRGSA-N	313.266	-1.481	50	1	DAGF	
CCCN(N=O)C(=O)N[C@H]1[C@@H](OC)O[C@H](CO)[C@@H](O)[C@@H]1O	169347159	MYDNBULWGCBGCP-IGORNWKESA-N	307.303	-1.457	50	1	DAGF	
CN(C)S(=O)(=O)NC[C@](N)(CCCCB(O)O)C(=O)O	1857555980	BNTUWTZKJUXSEE-SECBINFHSA-N	311.169	-2.192	50	1	DAGF	
O=C(NN=Cc1ccccc1O)N[C@@H]1OC[C@H](O)[C@@H](O)[C@H]1O	2356580990	GZPVNZQHGWGCOC-IRCOFANPSA-N	311.294	-1.536	50	1	DAGF	
OC1[C@@H](O)[C@@H](O)C(CI)[C@@H](O)[C@@H]1O	28761863	MVAHLLCBZUWWON-WYANEKAJSA-N	304.080	-2.144	50	1	DAGF	
CCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)N(CC)N=O	169347163	TYALXVXBQYGMMM-IGORNWKESA-N	307.303	-1.457	50	1	DAGF	
CS(=O)(=O)NNC(=O)CN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C1=O	195458563	MNHGGVJCKDKZDP-XFFJFQIUSA-N	313.335	-1.626	50	1	DAGF	
O=C(N/N=C/[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)c1cccs1	299845509	AONLRLYHYNICHF-NIFUKBNQSA-N	304.324	-2.100	50	1	DAGF	
O=C(CBr)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	3833815	FBDRYZFAXBPZEB-RHROMQPHSA-N	300.105	-2.703	50	1	DAGF	
O=C1NC(=O)C(C(=O)NNC(=O)Nc2cccc(O)c2)C(=O)N1	1772571133	AFBQJZLPPZKNPG-UHFFFAOYSA-N	321.249	-1.473	50	1	DAGF	
O=C(NNc1ccc([N+](=O)[O-])cc1)[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O	17218096	NIELHAKRVUBSSA-ZNSHCXBVSA-N	313.266	-1.481	50	1	DAGF	
CN(CC(=O)O)NC(=O)C[C@H](N)C[C@@H](O)CNC[C@H](O)CN	473125048	XYRPGMOKOUEIFI-OPRDCNLKSA-N	321.378	-3.588	50	1	DAGF	
Nc1ccn([C@@H]2O[C@@H](CO)[C@@H](Br)[C@@H]2O)c(=O)n1	26024735	QTEKKHIYAYCAMK-VXUIKNBNSA-N	306.116	-1.160	50	1	DAGF	
O=NN(CCCl)C(=O)N[C@@H]1[C@@H](O)O[C@@H](CO)[C@@H](O)[C@H]1O	3830542	MYBLAOJMRYYKMS-RLMOJYMMSA-N	313.694	-2.282	50	1	DAGF	
O=C(CBr)N[C@@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O	13545225	WOSGOBKGQFRKCM-BIAPBZAGSA-N	300.105	-2.703	50	1	DAGF	
O=C(N/N=C/[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)c1cccs1	169310654	AONLRLYHYNICHF-VKQNDBRQSA-N	304.324	-2.100	50	1	DAGF	
O=C(NN=Cc1ccccc1O)N[C@@H]1OC[C@H](O)[C@@H](O)[C@@H]1O	2356580992	GZPVNZQHGWGCOC-WHOHXGKFSA-N	311.294	-1.536	50	1	DAGF	
O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C1CSSC1	473166178	DQPWGAMQSBPQMW-GBMPTNJUSA-N	312.365	-1.659	50	1	DAGF	
O=C(Cc1cccs1)N[C@H](Cn1cc(C(=O)O)nn1)B(O)O	218238958	ZXGRTNOGXAKRBS-SECBINFHSA-N	324.127	-1.223	50	1	DAGF	
CS(=O)(=O)NNC(=O)CN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1=O	195458559	MNHGGVJCKDKZDP-ZXZZCXTASA-N	313.335	-1.626	50	1	DAGF	
N[C@H]1C[C@H](C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)NNC1=O	224560630	BAVUEMUXCZIBFP-HUQRPRGHSA-N	306.282	-1.235	50	1	DAGF	
Cc1cn([C@@H]2O[C@H](CO)[C@@H](Br)[C@@H]2O)c(=O)[nH]c1=O	49088573	XRNRVKGRRXTBMZ-JAGXHNFQSA-N	321.127	-1.141	50	1	DAGF	
O=C(O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C1CSSC1	473166184	DQPWGAMQSBPQMW-HPFNVAMJSA-N	312.365	-1.659	50	1	DAGF	
O=C(CBr)N[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	169357955	FBDRYZFAXBPZEB-NRMOLFOWSA-N	300.105	-2.703	50	1	DAGF	
CO[C@@H]([C@@H](O)[C@@H](O)C(=O)NNc1ccccc1)[C@H](O)CO	17158283	HYXALBNMTPMXOQ-WRWGMCAJSA-N	300.311	-1.780	50	1	DAGF	
CN(CC(=O)O)NC(=O)C[C@H](CCN)NC(=O)[C@@H](N)CO	1857546596	VLJXWVGVHWXGLK-YUMQZZPRSA-N	305.335	-3.423	50	1	DAGF	
CO[C@H]([C@@H](O)[C@@H](O)C(=O)NNc1ccccc1)[C@H](O)CO	17158281	HYXALBNMTPMXOQ-KXNHARMFSA-N	300.311	-1.780	50	1	DAGF	
Nc1ccn([C@@H]2O[C@H](CO)[C@H](Br)[C@H]2O)c(=O)n1	168459255	QTEKKHIYAYCAMK-PXBUCIJWSA-N	306.116	-1.160	50	1	DAGF	
O=NN(CCCl)C(=O)N[C@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O	17060499	ZOBLZIKVIHJGRN-BJNUKLAGSA-N	313.694	-2.282	50	1	DAGF	
Nc1nnnn1CC(=O)NN/C=C1\C=C([N+](=O)[O-])C=CC1=O	13125062	MTFAGIQVHKKKRS-GQCTYLIASA-N	306.242	-1.941	50	3	DAGF	
O=C1NC(=O)C(C(=O)NNC(=O)Nc2ccc(O)cc2)C(=O)N1	1772620881	ISDAPOVQIUOMHC-UHFFFAOYSA-N	321.249	-1.473	50	1	DAGF	
N#C[C@@H](O)c1ccc(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1	2356545903	RSMOYVJMDHSTEV-PRFQISJJSA-N	311.290	-1.578	50	1	DAGF	
C[C@H](CN)CNC[C@H](O)C[C@@H](N)CC(=O)NN(C)CC(=O)O	473125770	YGVPHTVJOBYAQE-GMTAPVOTSA-N	319.406	-2.313	50	1	DAGF	
CC(=O)NNC(=O)[C@@H]1CC[C@@H](NOS(=O)(=O)O)CN1C=O	263621240	XVXACCGCTLPGSZ-SFYZADRCSA-N	324.315	-2.533	50	1	DAGF	in-vitro
O[C@H]1[C@H](CI)[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O	253671875	MVAHLLCBZUWWON-GEGSFZHJSA-N	304.080	-2.144	50	1	DAGF	
Nc1ccn([C@@H]2O[C@H](CO)[C@H](Br)[C@@H]2O)c(=O)n1	253634310	QTEKKHIYAYCAMK-YDKYIBAVSA-N	306.116	-1.160	50	1	DAGF	
CN(CC(=O)O)NC(=O)C[C@H](N)C[C@H](O)CN1CCOCC1	26479647	FNZKMVDAMNAKDV-MNOVXSKESA-N	318.374	-2.165	50	1	DAGF	
Nc1nc(=O)n([C@@H]2O[C@@H](CO)[C@@H](Br)[C@@H]2O)cc1F	26024761	XSZDWRCVQOJTMR-SKHQTKALSA-N	324.106	-1.021	50	1	DAGF	
N#C[C@]1(O)[C@H](O)[C@@H](CO)O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@@H]1O	73138047	DDNIFWDTQIPBKV-RZBPYSQRSA-N	317.229	-3.458	50	1	DAGF	
O=C(CBr)N[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	2564147	FBDRYZFAXBPZEB-JVEFNUALSA-N	300.105	-2.703	50	1	DAGF	
O=c1ccn([C@@H]2O[C@H](CO)[C@@H](Br)[C@@H]2O)c(=O)[nH]1	6119024	XMOJQZGVVRHTMQ-CCXZUQQUSA-N	307.100	-1.449	50	1	DAGF	
Nc1nc(=O)n([C@H]2O[C@@H](CO)[C@@H](Br)[C@@H]2O)cc1F	26024768	XSZDWRCVQOJTMR-GCJQMDKQSA-N	324.106	-1.021	50	1	DAGF	
Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](Br)[C@H]2O)cc1F	253635616	XSZDWRCVQOJTMR-UAKXSSHOSA-N	324.106	-1.021	50	1	DAGF	
O=C(NNc1ccc([N+](=O)[O-])cc1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	299815534	NIELHAKRVUBSSA-GWOFURMSSA-N	313.266	-1.481	50	1	DAGF	
CC(C)C[C@H](NC(=O)[C@@H](N)CC(C(=O)O)C(=O)O)B(O)O	195209756	SAZZTDOLLGZJSC-YUMQZZPRSA-N	304.108	-1.968	50	1	DAGF	
O=NN(CCCl)C(=O)N[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O	17060500	ZOBLZIKVIHJGRN-HEIBUPTGSA-N	313.694	-2.282	50	1	DAGF	
Nc1ccn([C@H]2O[C@H](CO)[C@@H](Br)[C@@H]2O)c(=O)n1	26024756	QTEKKHIYAYCAMK-GVYWOMJSSA-N	306.116	-1.160	50	1	DAGF	
O=NN(CCCl)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H](O)[C@@H]1O	38192469	ZKTZGYZXXCOLPV-PVFLNQBWSA-N	313.694	-2.282	50	1	DAGF	
N[C@@H]1C[C@H](C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)NNC1=O	618013879	BAVUEMUXCZIBFP-FFQGENNSSA-N	306.282	-1.235	50	1	DAGF	
O=C[C@H](NC(=O)N(CCCl)N=O)[C@H](O)[C@H](O)[C@@H](O)CO	17005689	MKQWTWSXVILIKJ-DKXJUACHSA-N	313.694	-2.439	50	1	DAGF	
CO[C@H]([C@@H](O)CO)[C@@H](O)[C@@H](O)C(=O)NNc1ccccc1	17158278	HYXALBNMTPMXOQ-NNYUYHANSA-N	300.311	-1.780	50	1	DAGF	
CCOC(=O)/C=C/C(=O)NNS(=O)(=O)C[C@H](N)C(=O)O	1561238	DEDSSJBXMURGEK-YUDCMIJISA-N	309.300	-2.532	50	1	DAGF	
O=C(N/N=C/[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)c1cccs1	6567161	AONLRLYHYNICHF-NQYHMSQCSA-N	304.324	-2.100	50	1	DAGF	
O=C(NN=Cc1ccccc1O)N[C@@H]1OC[C@H](O)[C@H](O)[C@@H]1O	2356580989	GZPVNZQHGWGCOC-FIQHERPVSA-N	311.294	-1.536	50	1	DAGF	
CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)N(CC)N=O	169347164	TYALXVXBQYGMMM-VVULQXIFSA-N	307.303	-1.457	50	1	DAGF	
N#CC(C#N)=Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O	40567863	WPDYXZGTBMXTTC-HBNTYKKESA-N	304.262	-1.392	50	1	DAGF	
NN(CC(=O)O)C(=O)C[C@H](O)C(=O)NCCc1ccccc1	58649540	FAEIAIPIEHOWKC-NSHDSACASA-N	309.322	-1.117	50	1	DAGF	in-vitro
Cn1c(=O)n(C)c(=O)n(CCS(=O)(=O)CC(=O)NN)c1=O	84670640	HDAAKVQKXZFWOD-UHFFFAOYSA-N	321.315	-4.350	50	1	DAGF	
N[C@@H](CSSC[C@H](NC(=O)C(=O)O)C(=O)O)C(=O)O	13513597	PQZNGDJDGUEXFA-IMJSIDKUSA-N	312.325	-1.566	50	1	DAGF	
O[C@H]1[C@H](O)[C@H](CI)[C@@H](O)[C@@H](O)[C@@H]1O	253671872	MVAHLLCBZUWWON-FQGZZYRYSA-N	304.080	-2.144	50	1	DAGF	
O=NN(CCCl)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@@H](O)[C@@H]1O	5178720	ZKTZGYZXXCOLPV-FMDGEEDCSA-N	313.694	-2.282	50	1	DAGF	
O=NN(CCCl)C(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	169321618	ZOBLZIKVIHJGRN-UIAUGNHASA-N	313.694	-2.282	50	1	DAGF	
CN(CC(=O)O)NC(=O)C[C@H](N)C[C@@H](O)CNC[C@@H](N)CN	473125822	YMWPLWSISCSCTG-KXUCPTDWSA-N	320.394	-3.622	50	1	DAGF	
CN(CC(=O)O)NC(=O)C[C@H](N)C[C@@H](O)CN1CC[C@H](N)C1	26492500	OKMUBDWAALFIGE-HBNTYKKESA-N	317.390	-2.465	50	1	DAGF	
O[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H]1CI	253671879	MVAHLLCBZUWWON-QJGAQZTCSA-N	304.080	-2.144	50	1	DAGF	
CN(CC(=O)O)NC(=O)C[C@H](N)C[C@@H](O)CNCCCCN	473124173	WMTXKORWGSNXNQ-GHMZBOCLSA-N	319.406	-2.169	50	1	DAGF	
O=NN(CCCl)C(=O)N[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	169321621	ZOBLZIKVIHJGRN-YQXRAVKXSA-N	313.694	-2.282	50	1	DAGF	
CS(=O)(=O)NNC(=O)CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O	3628186	MNHGGVJCKDKZDP-SWOGREBESA-N	313.335	-1.626	50	1	DAGF	
O=NN(CCCl)C(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O	5113335	ZOBLZIKVIHJGRN-QQGCVABSSA-N	313.694	-2.282	50	1	DAGF	
O=C(CN1C(=O)N[C@@H]2NC(=O)N[C@H]21)NN/C=C1\C=CC=CC1=O	13120509	NREQEGIFCRACAY-BZCKNUJPSA-N	318.293	-1.824	50	3	DAGF	
OC1[C@H](O)[C@H](O)C(CI)[C@@H](O)[C@H]1O	40609097	MVAHLLCBZUWWON-SPRTWYNQSA-N	304.080	-2.144	50	1	DAGF	
O=C(CBr)N[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	169371274	FBDRYZFAXBPZEB-WBAUUHMWSA-N	300.105	-2.703	50	1	DAGF	
N#C[C@@H](O)c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1	2356545902	RSMOYVJMDHSTEV-IKKURHKOSA-N	311.290	-1.578	50	1	DAGF	
N#CC=C1C=C[C@@H](O)C[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356706157	UTHVFIKQCUKKQW-NFIBXUFNSA-N	313.306	-2.058	50	1	DAGF	
O=NN(CCCl)C(=O)N[C@@H]1[C@@H](O)O[C@@H](CO)[C@@H](O)[C@@H]1O	3830544	MYBLAOJMRYYKMS-TXXZRHAASA-N	313.694	-2.282	50	1	DAGF	
N[C@@H]1C[C@@H](C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)NNC1=O	618013874	BAVUEMUXCZIBFP-DREFNJDFSA-N	306.282	-1.235	50	1	DAGF	
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	238733883	UTHVFIKQCUKKQW-RCXKYWNRSA-N	313.306	-2.058	50	1	DAGF	
CN(CC(=O)O)NC(=O)C[C@H](N)C[C@@H](O)CNC[C@H](F)CN	473114030	IFFMKIBXNFUURO-OPRDCNLKSA-N	323.369	-2.611	50	1	DAGF	
CN(C)S(=O)(=O)NC[C@@](N)(CCCCB(O)O)C(=O)O	1857555981	BNTUWTZKJUXSEE-VIFPVBQESA-N	311.169	-2.192	50	1	DAGF	
NS(=O)(=O)c1ccc(NNC(=O)CNCC(=O)O)cc1	13472882	TZWGBEXRDYFKPK-UHFFFAOYSA-N	302.312	-1.549	50	1	DAGF	
CN(CC(=O)NNc1ccc(S(N)(=O)=O)cc1)C(=N)N	13800559	PDYBROWIKLFHOG-UHFFFAOYSA-N	300.344	-1.398	50	1	DAGF	
Cc1cn([C@@H]2C[C@@H](O)[C@@H](CNC(=O)CCl)O2)c(=O)[nH]c1=O	17129016	SNBCLPGEMZEWLU-MRTMQBJTSA-N	317.729	-1.152	50	1	DAGF	
CN(CC(=O)O)NC(=O)C[C@H](N)C[C@H](O)CN1CC[C@H](N)C1	26492503	OKMUBDWAALFIGE-AXFHLTTASA-N	317.390	-2.465	50	1	DAGF	
C[C@H](N)CCNC[C@H](O)C[C@@H](N)CC(=O)NN(C)CC(=O)O	473123296	VDUOLTZWNRENCP-HBNTYKKESA-N	319.406	-2.171	50	1	DAGF	
CN(CC(=O)O)NC(=O)C[C@H](N)C[C@@H](O)CNC[C@H](N)CN	473125824	YMWPLWSISCSCTG-OPRDCNLKSA-N	320.394	-3.622	50	1	DAGF	
O=C(CBr)N[C@@H]1[C@H](O)O[C@@H](CO)[C@@H](O)[C@@H]1O	13545219	WOSGOBKGQFRKCM-IMSDGWMTSA-N	300.105	-2.703	50	1	DAGF	
O[C@@H](CNCCCl)[C@H](O)[C@@H](O)[C@@H](O)CNCCCl	1850025	MQXVYODZCMMZEM-XKNYDFJKSA-N	305.202	-1.913	50	1	DAGF	in-man
O=C(CBr)N[C@H]1[C@@H](O)O[C@@H](CO)[C@@H](O)[C@@H]1O	169373318	WOSGOBKGQFRKCM-RMJYWKLSSA-N	300.105	-2.703	50	1	DAGF	
CN(CC(=O)O)NC(=O)C[C@H](N)C[C@@H](O)CN1CC[C@@H](N)C1	26492092	OKMUBDWAALFIGE-GMTAPVOTSA-N	317.390	-2.465	50	1	DAGF	
O=C(Cc1cccs1)N[C@@H](Cn1cc(C(=O)O)nn1)B(O)O	207098125	ZXGRTNOGXAKRBS-VIFPVBQESA-N	324.127	-1.223	50	1	DAGF	in-vitro
Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2Br)c(=O)[nH]c1=O	17174527	UTMUIPQCQMEAEI-JVZYCSMKSA-N	321.127	-1.141	50	1	DAGF	
CS(=O)(=O)NNC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O	3905351	MNHGGVJCKDKZDP-OXMRFTEPSA-N	313.335	-1.626	50	1	DAGF	
O=NN(CCCl)C(=O)N[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O	95863457	MYBLAOJMRYYKMS-DMHSOCPYSA-N	313.694	-2.282	50	1	DAGF	
O=C(CBr)N[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	169357954	FBDRYZFAXBPZEB-HYCBYNFESA-N	300.105	-2.703	50	1	DAGF	
Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n(/C=C/C=O)c1=O	28021372	BJVLJFFRCMAUFP-MPHZFXJMSA-N	312.278	-2.400	50	1	DAGF	
CO[C@@H]([C@@H](O)CO)[C@@H](O)[C@@H](O)C(=O)NNc1ccccc1	17158275	HYXALBNMTPMXOQ-YFKTTZPYSA-N	300.311	-1.780	50	1	DAGF	
N[C@H]1C[C@@H](C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)NNC1=O	224560542	BAVUEMUXCZIBFP-SCWKQBKQSA-N	306.282	-1.235	50	1	DAGF	
Cn1c(=O)n(C)c(=O)n(CCC[S@](=O)CC(=O)NN)c1=O	84729213	OUKBCESRTRYGAL-OAQYLSRUSA-N	319.343	-3.626	50	1	DAGF	
N#C[C@H](O)c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1	2356545900	RSMOYVJMDHSTEV-AJSWTNHPSA-N	311.290	-1.578	50	1	DAGF	
O=C(CCl)NNC(=O)c1cc(=O)[nH]c2[nH]c(=O)[nH]c(=O)c12	98083713	NKPAIYCNTAIIHO-UHFFFAOYSA-N	313.657	-2.096	50	1	DAGF	
N#CC=C1C=C[C@H](O)C[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356706160	UTHVFIKQCUKKQW-UCHMUAQZSA-N	313.306	-2.058	50	1	DAGF	
Cn1c(=O)n(C)c(=O)n(CCC[S@@](=O)CC(=O)NN)c1=O	84729209	OUKBCESRTRYGAL-NRFANRHFSA-N	319.343	-3.626	50	1	DAGF	
O=C(CBr)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O	4534294	FBDRYZFAXBPZEB-NDBSEGGWSA-N	300.105	-2.703	50	1	DAGF	
CCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)N(C)N=O	5836121	QPDOWPQMZIHMOJ-VVULQXIFSA-N	307.303	-1.457	50	1	DAGF	
CO[C@@H]([C@@H](O)[C@H](O)C(=O)NNc1ccccc1)[C@H](O)CO	105437323	HYXALBNMTPMXOQ-NOOOWODRSA-N	300.311	-1.780	50	1	DAGF	
Nc1nc(=O)n([C@H]2O[C@H](CO)[C@@H](Br)[C@@H]2O)cc1F	26024782	XSZDWRCVQOJTMR-NRFSWKIWSA-N	324.106	-1.021	50	1	DAGF	
Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n(/C=C/C=O)c1=O	82008280	BJVLJFFRCMAUFP-FOWMXVKASA-N	312.278	-2.400	50	1	DAGF	
CC(C)C[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCB(O)O	170036768	FFSNERICBHITBH-IUCAKERBSA-N	317.151	-2.162	50	1	DAGF	
NNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)Cc1ccccc1	28826809	UJDNDEOVHHBHFQ-STQMWFEESA-N	316.365	-1.003	50	1	DAGF	
CCCCN(N=O)C(=O)N[C@H]1[C@H](OC)O[C@H](CO)[C@@H](O)[C@@H]1O	169347162	GVXBCIWSMUJDPZ-ISUQUUIWSA-N	321.330	-1.067	50	1	DAGF	
CN(CC(=O)O)NC(=O)C[C@H](N)C[C@@H](O)CNC[C@@H](O)CN	473125041	XYRPGMOKOUEIFI-BBBLOLIVSA-N	321.378	-3.588	50	1	DAGF	
O=C1NC(=O)C(C(=O)NNC(=O)Nc2ccc(F)cc2)C(=O)N1	1772579877	SBQCDALESWSZAR-UHFFFAOYSA-N	323.240	-1.039	50	1	DAGF	
O=C(CN1C(=O)N[C@H]2NC(=O)N[C@@H]21)NN/C=C1\C=CC=CC1=O	13120508	NREQEGIFCRACAY-HOGLGZINSA-N	318.293	-1.824	50	3	DAGF	
O=NN(CCCl)C(=O)N[C@@H]1[C@@H](O)O[C@@H](CO)[C@H](O)[C@H]1O	95863456	MYBLAOJMRYYKMS-WXUMCUSRSA-N	313.694	-2.282	50	1	DAGF	
CC(C)[C@H](N)C(=O)N[C@@H](CCN)CC(=O)NN(C)CC(=O)O	1857564716	PJABWSVKKYDZTL-CABZTGNLSA-N	317.390	-1.759	50	1	DAGF	
COCC(=O)N(N(CCCl)S(C)(=O)=O)S(C)(=O)=O	27094692	WHCOTDAPWIVUCD-UHFFFAOYSA-N	322.792	-1.164	50	1	DAGF	
N[C@@]1(C(=O)O)CN(C[C@H]2COCCN2)C[C@@H]1CCCB(O)O	1857601860	KBOTZNVDRDMHLL-GVXVVHGQSA-N	315.179	-2.058	50	1	DAGF	
O=C(CBr)N[C@@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]1O	1567134	FBDRYZFAXBPZEB-ZNKVVVRSSA-N	300.105	-2.703	50	1	DAGF	
O=C(NNc1ccc([N+](=O)[O-])cc1)[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	5841849	NIELHAKRVUBSSA-ZRUFSTJUSA-N	313.266	-1.481	50	1	DAGF	
CCC[C@@H](N)C(=O)OC(=O)[C@@H](N)CNC(=O)/C=C/C(=O)OC	299865729	UIRYEXFXYYEJGD-RKWMXMRGSA-N	315.326	-1.644	50	1	DAGF	
Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@](O)(C#N)[C@H]2O)c(=O)[nH]c1=O	73170227	SKUNYLRIDAZKIY-RCYRUSIOSA-N	313.266	-3.289	50	1	DAGF	
Cc1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2Br)c(=O)[nH]c1=O	21999973	UTMUIPQCQMEAEI-JAGXHNFQSA-N	321.127	-1.141	50	1	DAGF	
O=C(CCl)Nc1cn(COC(CO)CO)c(=O)[nH]c1=O	40833687	JOJMNRCIARIAPR-UHFFFAOYSA-N	307.690	-1.959	50	1	DAGF	
N/N=C(\N)c1c(C(=O)NN)ncn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	14977534	KPJFGMVACWBPRG-KAFVXXCXSA-N	315.290	-4.323	50	1	DAGF	
O=NNC(=O)NC[C@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O	29553421	GHZAKUNZIYESNI-JBBNEOJLSA-N	315.242	-2.864	50	1	DAGF	
O=NN(CCF)C(=O)NC1CS(=O)(=O)CS(=O)(=O)C1	4983392	HWTNAOPQOYUMFC-UHFFFAOYSA-N	317.320	-1.182	50	1	DAGF	
O=C[C@H](NC(=O)N(CCCl)N=O)[C@@H](O)[C@@H](O)[C@@H](O)CO	169359547	MKQWTWSXVILIKJ-HSNKUXOKSA-N	313.694	-2.439	50	1	DAGF	
O=C(Cc1ccccc1)N[C@@H](Cn1cc(C(=O)O)nn1)B(O)O	473133071	WOUVYMBVJRPYHP-NSHDSACASA-N	318.098	-1.284	50	1	DAGF	
NNC(=O)c1n[nH]nc1SSc1n[nH]nc1C(=O)NN	5542981	MWQHRZUAGUQBFP-UHFFFAOYSA-N	316.332	-2.071	50	1	DAGF	
Cn1ccnc1CN1C[C@H](CCCB(O)O)[C@](N)(C(=O)O)C1	200589495	QYTBWEJMHPQCLS-GWCFXTLKSA-N	310.163	-1.113	50	1	DAGF	
CC(=O)NCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NNC(C)=O	1857553972	MXSYWQJMUFUHGA-NSHDSACASA-N	324.341	-1.870	50	1	DAGF	
Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@H](Br)[C@@H]2O)cc1F	253635615	XSZDWRCVQOJTMR-FZGKIIIMSA-N	324.106	-1.021	50	1	DAGF	
C[C@H](CCN)NC[C@H](O)C[C@@H](N)CC(=O)NN(C)CC(=O)O	473113378	GPNWPAUGVVPQGY-GMTAPVOTSA-N	319.406	-2.171	50	1	DAGF	
O=C[C@@H](NC(=O)N(CCCl)N=O)[C@@H](O)[C@@H](O)[C@@H](O)CO	169359545	MKQWTWSXVILIKJ-CWKFCGSDSA-N	313.694	-2.439	50	1	DAGF	
O=C(CN1C(=O)N[C@@H]2NC(=O)N[C@@H]21)NN/C=C1\C=CC=CC1=O	13120510	NREQEGIFCRACAY-KKSDUGGKSA-N	318.293	-1.824	50	3	DAGF	
CN(CC(=O)O)NC(=O)C[C@H](N)C[C@H](O)CN1CCNCC1	26479630	GFGIWBYIOHPHSM-MNOVXSKESA-N	317.390	-2.592	50	1	DAGF	
O=NN(CCCl)C(=O)N[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	58508312	ZOBLZIKVIHJGRN-DWOUCZDBSA-N	313.694	-2.282	50	1	DAGF	
OC[C@@H]1O[C@H](OOO[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	2356330669	ODDRJEWIOFPAOL-HADWUILMSA-N	314.243	-4.256	50	1	DAGF	
CN(CC(=O)O)NC(=O)C[C@H](N)C[C@@H](O)CNCCCO	473136033	NCDMBKAOLJZLKO-NXEZZACHSA-N	306.363	-2.526	50	1	DAGF	
O=C(CBr)N[C@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O	17109081	FBDRYZFAXBPZEB-WEAIKQDOSA-N	300.105	-2.703	50	1	DAGF	
OC[C@@H]1O[C@H](OOO[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)[C@H](O)[C@H]1O	2356330668	ODDRJEWIOFPAOL-BNGJREEGSA-N	314.243	-4.256	50	1	DAGF	
C[C@](Cn1ccnn1)([C@@H](N/C=C/C=O)C(=O)O)[SH](=O)=O	261527172	JUNWSLGCXPTCAU-QZWDGIGVSA-N	302.312	-1.596	50	1	DAGF	in-vivo
OC1[C@@H](O)[C@H](O)C(CI)[C@@H](O)[C@H]1O	28761869	MVAHLLCBZUWWON-CEDNOLFGSA-N	304.080	-2.144	50	1	DAGF	
O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1CCCl	28225547	VSWBKXJDWJNKJN-BDNRQGISSA-N	306.702	-2.071	50	1	DAGF	
OC[C@@H]1O[C@H](OOO[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O	2356330671	ODDRJEWIOFPAOL-YTAQVTJYSA-N	314.243	-4.256	50	1	DAGF	
N#CC=C1C=C[C@@H](O)C[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356706158	UTHVFIKQCUKKQW-OSBMCDJTSA-N	313.306	-2.058	50	1	DAGF	
O=C[C@@H](NC(=O)N(CCCl)N=O)[C@H](O)[C@@H](O)[C@@H](O)CO	145677917	MKQWTWSXVILIKJ-KVPKETBZSA-N	313.694	-2.439	50	1	DAGF	
C=C1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(C=O)C(=O)[C@H](O)[C@H]1O	98208787	ZGWNRGISVMYHTF-KKXLKBQTSA-N	315.278	-3.673	50	1	DAGF	in-vivo