smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CN(C)C(=O)c1ccc2c(c1)[C@H](c1ccc(Cl)cc1B(O)O)NCC2	962921865	FLXSQDPGTCQGIW-KRWDZBQOSA-N	358.634	0.957	50	1	FCGF	
C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)C1C(=O)N(C)C(=O)N(C)C1=O	103238307	OGDUTZRLPCTPGS-LZYBPNLTSA-N	361.314	0.367	50	1	FCGF	
CN(C)c1ccc(/C=N/NC(=O)c2cc[n+](C(C(=O)O)C(=O)O)cc2)cc1	40863810	NHXIOASDYABLDM-UHFFFAOYSA-O	371.373	0.514	50	1	FCGF	
N#CC(C#N)=C1SC(=S)N(c2ccc(S(N)(=O)=O)cc2)C1=O	45317265	HUMQBKSHVFJVKJ-UHFFFAOYSA-N	350.406	1.000	50	1	FCGF	
NNC(=O)c1ccc2nc(CCc3ccc(S(N)(=O)=O)cc3)[nH]c2c1	586930310	QINPDCYOLOJSKE-UHFFFAOYSA-N	359.411	0.599	50	1	FCGF	
COc1ccc2c(c1)C(=NNC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)N2	1857651344	JMXNDOXNACDXKT-UHFFFAOYSA-N	374.378	0.429	50	1	FCGF	
NNC(=O)[C@@H]1CCC(=O)N1S(=O)(=O)c1ccc(Cl)c(Cl)c1	27209007	BQVXAISIUZDLNV-VIFPVBQESA-N	352.199	0.663	50	1	FCGF	
O=C(N/N=C/c1ccc(O)c(O)c1)C(=O)N/N=C/c1ccc(O)c(O)c1	5426668	CTBVOYDARNWFLQ-ZEELXFFVSA-N	358.310	0.109	50	1	FCGF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(C)=O)C[C@](C)(O)[C@]13O[C@@H]1[C@H](Cl)[C@@](C)(O)[C@H]23	2356695988	FCQNUSQUNQQROJ-XQOXVLNESA-N	372.801	0.296	50	1	FCGF	
CC(=O)O[C@@H]1C=CC=C2C[C@@]34SS[C@@](CO)(C(=O)N3[C@@H]21)N(C)C4=O	2356705703	ANMNRGVATKMYOR-PKIAMQTDSA-N	368.436	0.267	50	1	FCGF	
Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NNC(=O)CO[N+](=O)[O-])O2	28876849	MUHRASLHYBGKDH-MRXNPFEDSA-N	367.358	0.757	50	1	FCGF	
CCn1c(SCC(=O)NNC(=S)NC)nc2ccccc2c1=O	6425745	CHUCPMFZDBBVJU-UHFFFAOYSA-N	351.457	0.634	50	1	FCGF	
CC(=O)C=Cc1ccc(O)c(OO[C@@H]2C[C@](O)(C(=O)O)C[C@H](O)[C@@H]2O)c1	2356633049	MXPAGBFCWKAUJY-GUSZCTEKSA-N	368.338	0.005	50	1	FCGF	
COC1=C/C(=C/NNC(=O)C(=O)NC[C@H]2CCCO2)C=C(Cl)C1=O	13119207	LFNUJEIRAPHSJE-TTZKWOQHSA-N	355.778	0.022	50	3	FCGF	
Cc1ccc(S(=O)(=O)N[C@@H](CO)C(=O)N/N=C/c2ccccc2)cc1	40892579	JRJVSNVJXCGGGN-GYKGCMEESA-N	361.423	0.785	50	1	FCGF	
O=C(Nc1ccc(F)cc1)c1cnc(=NCc2cccc(B(O)O)c2)[nH]c1	472918837	LZBVAHPPGSBAMB-UHFFFAOYSA-N	366.161	0.582	50	1	FCGF	
CC(C)C(=O)OC[C@@]1(CCl)O[C@@H](n2ccc(N)nc2=O)[C@H](F)[C@@H]1O	147023781	OVTZBTYXSSOBGX-FBKDDSFISA-N	363.773	0.230	50	1	FCGF	
Cc1ncc(CO)c(/C=N/NC(=O)CCCCCCC(=O)NO)c1O	95808216	NWYAXZRCFDUUCC-GIJQJNRQSA-N	352.391	0.884	50	1	FCGF	
Cc1cn([C@H]2C[C@@H](O)[C@@H](CCC(=O)CBr)O2)c(=O)[nH]c1=O	27733352	QGFGTOPSMOZUER-GMTAPVOTSA-N	361.192	0.238	50	1	FCGF	
CS(=O)(=O)OCCN1[C@@H](OO)CCO[P@]1(=O)NCCCl	299846895	JMNAXGGBZNWMSN-WPCRTTGESA-N	352.733	0.437	50	1	FCGF	
C=C(C=O)[C@]1(O)O[C@@H]2C[C@@]3(C)OC(=CC3=O)C(C)=C[C@@H]3OC(=O)[C@@]1(C)[C@@H]32	2356850525	PQUWBDZLXMUIKS-SEOLLAQZSA-N	360.362	0.969	50	1	FCGF	
CC(=O)O[C@@H]1C[C@](C)(O)[C@]23O[C@@H]2[C@H](Cl)[C@](C)(O)[C@@H]3[C@@H]2OC(=O)[C@@H](C)[C@@H]12	2356397397	CGAKJWNQAYBPPE-ZFEARJMGSA-N	374.817	0.376	50	1	FCGF	
C=C1[C@H](OCC)O[C@H](OCC)[C@H]2[C@@](O)(CCl)[C@H](OC(C)=O)C[C@]12O	2356495950	MQENMLFELYIZMQ-FGZZBPHYSA-N	364.822	0.951	50	1	FCGF	
[N-]=[N+]=N[C@H](CBr)c1cn(CCC(CO)CO)c(=O)[nH]c1=O	27418197	JWQPXBKLNNJDMX-SECBINFHSA-N	362.184	0.274	50	1	FCGF	
CC1=C[C@H]2O[C@@H]3[C@H](O)[C@@H](O)[C@](C)([C@@]2(COC(=O)CCl)CC1)[C@@]31CO1	5493150	QPVVAWSGXBERRH-SERJUKPJSA-N	358.818	0.773	50	1	FCGF	
Cc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)n(CCBr)c1=O	29324926	BJEOIIUTPSGXLO-BBBLOLIVSA-N	374.195	0.672	50	1	FCGF	
CC(=O)OCCC(=O)[C@@H]1[C@@H]2CC[C@H](C)[C@H](O)[C@@H]2[C@H](Cl)[C@@H](O)[C@@]1(C)O	2356820652	FNAXQILHVJSNQO-MULJWDOUSA-N	362.850	0.881	50	1	FCGF	
CCOC(=O)[C@@H](C(=O)O)[n+]1ccc(C(=O)N/N=C/c2ccccc2O)cc1	40863802	XMBLELBGKKXFSB-OAHLLOKOSA-O	372.357	0.632	50	1	FCGF	
COCc1cc(C)nc(OCC(=O)NN/C=C2\C=CC=CC2=O)c1C#N	15953271	XPQCHXZUHISDIH-UKTHLTGXSA-N	354.366	0.987	50	3	FCGF	
O=C(CSCC(=O)N/N=C/c1ccncc1)N/N=C/c1ccncc1	6585004	DNDPSPUWOCYRRC-LQGKIZFRSA-N	356.411	0.810	50	1	FCGF	
CC(C)C[C@H](NC(=O)CN1C=C[C@@H](N2CCCCC2)CC1=O)B(O)O	169960759	ARRKCSSOXNPKAT-CABCVRRESA-N	351.256	0.130	50	1	FCGF	
NC(=O)COc1ccc(/C=N/NC(=O)CCCCCCC(=O)NO)cc1	95808212	ZOEOQAACLAHQDL-YBFXNURJSA-N	364.402	0.847	50	1	FCGF	
N#CC1=C2CCCN2[C@](O)(N2CCOCC2)[C@@H]1NC(=O)c1ccccc1	103209257	AHGZIGJOVNJVDD-IEBWSBKVSA-N	354.410	0.650	50	1	FCGF	
CCOc1ccc([C@@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)cc1B(O)O	962901757	LBQNITFQGUSCMH-YOEHRIQHSA-N	359.162	0.593	50	1	FCGF	
COCCOCCOCCOC(=O)CN1C(=O)[C@@]2(C)C=C(C)[C@@]1(C)OO2	103254293	DBAACTZJSCPVEN-IAGOWNOFSA-N	373.402	0.434	50	1	FCGF	
N#CC(C#N)=C1N(CCN2CCCCC2)CCN1CCN1CCOCC1	40616209	LQOORYLWYFASDQ-UHFFFAOYSA-N	358.490	0.681	50	1	FCGF	
Cc1ncc(Cn2nnc(C(=O)N/N=C/c3cccc(O)c3)c2C)c(N)n1	103231839	NFYDDJQWOJRGSX-IFRROFPPSA-N	366.385	0.785	50	1	FCGF	
CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cc(C(=O)NN)ccc3[nH]2)c1	586935581	ISOYJJHUOUIGGJ-UHFFFAOYSA-N	362.415	0.848	50	1	FCGF	
CCOCCOc1ccc([C@H]2NCCc3c(C)ccnc32)cc1B(O)O	963069431	MSLCYNGBWMXQIC-GOSISDBHSA-N	356.231	0.720	50	1	FCGF	
O=C(CBr)NCCc1nc2ccc(S(=O)(=O)O)cc2[nH]1	586970543	CGQKLBZXZNRVPF-UHFFFAOYSA-N	362.205	0.863	50	1	FCGF	
CCOC(=O)[C@@H](C(=O)O)[n+]1cccc(C(=O)N/N=C/c2ccccc2O)c1	40864425	OJNKVBMAEHQSEP-OAHLLOKOSA-O	372.357	0.632	50	1	FCGF	
COC1=CC=C/C(=C\NNC(=O)CNC(=O)COc2ccccc2)C1=O	13121991	CXJGLQRKKCIFJL-JLHYYAGUSA-N	357.366	0.356	50	3	FCGF	
O=C(CNC(=O)c1cccc(F)c1)NN/C=C1/C=CC(=O)C([N+](=O)[O-])=C1	15973797	VBTLIGHBAXUDST-NTMALXAHSA-N	360.301	0.360	50	3	FCGF	
NNC(=O)[C@@H]1CC2(CN1S(=O)(=O)c1ccccc1)SCCS2	103249756	XBSLXUBPHTVZGN-NSHDSACASA-N	359.498	0.616	50	1	FCGF	
CN(CCO)c1ccc(/C=N/NC(=O)c2cccc(C(=O)NO)c2)cc1	95808768	CRKDGSYUTOMQTG-XDHOZWIPSA-N	356.382	0.998	50	1	FCGF	
Cc1cn([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)n(CCBr)c1=O	29324930	BJEOIIUTPSGXLO-OPRDCNLKSA-N	374.195	0.672	50	1	FCGF	
C[C@H](Cl)C(=O)O[C@@H]1C[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2C(=O)[C@H]1O)[C@@H]34	254015007	BQXYCTIQMQKUMG-JLXHXKRVSA-N	370.877	0.992	50	1	FCGF	
CC(=O)NCc1cccc(N/C(O)=C2\C(=O)OC(=O)C(C(C)=O)=C2O)c1	169336560	AIXXNIZXQOQKFZ-FYWRMAATSA-N	360.322	0.989	50	1	FCGF	
CC1=NC(=O)NC(=O)/C1=C\NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C	13119321	VARZIVSWIKZVBA-BRNRAETOSA-N	367.406	0.751	50	3	FCGF	
C[C@@H](Cl)[C@]1(c2c(N)n(C)c(=O)n(C)c2=O)NCCc2ccc(O)cc21	963354728	ZDMLSACNCWXTMS-XLFHBGCDSA-N	364.833	0.388	50	1	FCGF	
CN1C(=O)[C@@]23Cc4ccc([N+](=O)[O-])cc4N2C(=O)[C@@]1(CO)SS3	101775126	VRFJINVAZRAFHH-QWHCGFSZSA-N	353.381	0.736	50	1	FCGF	
C=C(C=O)[C@]1(O)O[C@@H]2C[C@@]3(C)OC(=CC3=O)C(C)=C[C@@H]3OC(=O)[C@@]1(C)[C@H]32	2356850527	PQUWBDZLXMUIKS-WNISPBRMSA-N	360.362	0.969	50	1	FCGF	
CCOC(=O)[C@H](C(=O)O)[n+]1ccc(C(=O)N/N=C/c2ccccc2O)cc1	40863804	XMBLELBGKKXFSB-HNNXBMFYSA-O	372.357	0.632	50	1	FCGF	
O=C(O)[C@@H]1[C@@H]2C[C@H]([C@@H](Br)[C@H]2N2C(=O)CCC2=O)[C@@H]1C(=O)O	102643275	DGUWCGCSFBDQTL-DMSOJZJISA-N	360.160	0.319	50	1	FCGF	
COc1ccc(C2=C(C)NN/C2=C2\C=CC(OCC(=O)NN)=CC2=O)cc1	103756060	UCQFQOYGWPVRPT-XDJHFCHBSA-N	368.393	0.817	50	3	FCGF	
CC1(C)CNC2=C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)C(C#N)=C(N)N2C1	653687446	JSFGIPDLRQSECN-SFHVURJKSA-N	366.381	0.961	50	1	FCGF	
CO[C@@H](CCNC(=O)N(CCCl)N=O)n1cc(F)c(=O)[nH]c1=O	29213711	YMFIWXASKNLXEI-QMMMGPOBSA-N	351.722	0.143	50	1	FCGF	
CCCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)N(CCCC)N=O	33824399	DTEWXVFKXYHYNL-KSTCHIGDSA-N	363.411	0.104	50	1	FCGF	
N#C/C(C(=O)NCc1cnccn1)=C(/N)c1cc(O)c(O)c([N+](=O)[O-])c1	1857583751	FUHOGPFAVUYEDR-RAXLEYEMSA-N	356.298	0.306	50	1	FCGF	
CS[C@@H](CCNC(=O)N(CCCl)N=O)n1cc(F)c(=O)[nH]c1=O	29211710	FZWOVKLNSYNLSA-QMMMGPOBSA-N	367.790	0.859	50	1	FCGF	
O=C1C[C@H]([C@H](Cl)[C@@H](O)[C@H](O)[C@H](O)CO)Oc2c1ccc1c2CCCC1	587499030	KOULMHQHHSARSJ-NQNKBUKLSA-N	370.829	0.582	50	1	FCGF	
C=C1C(=O)O[C@H]2[C@@H]3[C@]4(C)O[C@H]4[C@@H](Cl)[C@@]3(O)[C@@](C)(O)[C@@H](OC(C)=O)C[C@H]12	2356329764	LJVWEMBASBCCFD-WANBSILFSA-N	372.801	0.296	50	1	FCGF	
CN[C@H](C)C(=O)N[C@@H](C(=O)N[C@@H](C)C(=O)NNc1ccccc1)C(C)C	61925521	MDQJPRMMNJMTSA-VNHYZAJKSA-N	363.462	0.383	50	3	FCGF	
CN(/N=N/c1ccc(C(N)=O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	95556380	ZYSCLAXTXJEDMC-ZRQYBVSLSA-N	351.319	0.744	50	1	FCGF	
C=C(C)C(=O)O[C@@H]1[C@@H]2C(=C)C(=O)O[C@H]2[C@@H](O)[C@@](C)([C@@H]2CO2)[C@@H]1C(=C)C=O	15108229	XBEWYBVLFVBNQU-QJRSUXNHSA-N	362.378	0.723	50	1	FCGF	
CS(=O)(=O)OCCN1[C@H](OO)CCO[P@@]1(=O)NCCCl	169319579	JMNAXGGBZNWMSN-YLVJLNSGSA-N	352.733	0.437	50	1	FCGF	
Cc1cc2c(cc1O)[C@@](C)(c1ccc(B(O)O)cc1F)N[C@H](C(=O)O)C2	963513124	YTVNWRMTRAWOTH-MAUKXSAKSA-N	359.162	0.382	50	1	FCGF	
O=S(=O)(O)C[C@@H](S)CSSC[C@@H](S)S(=O)(=O)O	84403326	DTOFWAYNEZSATC-WHFBIAKZSA-N	360.547	0.698	50	1	FCGF	
C[C@H]1CC[C@@H]2[C@@H](OC(=O)[C@@]2(O)CBr)[C@]2(C)C(=O)C=C[C@@]12O	96888416	PCVSOKQIMUDYGL-VOKLROIKSA-N	359.216	0.960	50	1	FCGF	
C=C(C=O)[C@]1(O)O[C@@H]2C[C@@]3(C)OC(=CC3=O)C(C)=C[C@@H]3OC(=O)[C@]1(C)[C@@H]32	2356850526	PQUWBDZLXMUIKS-VDWCWQFCSA-N	360.362	0.969	50	1	FCGF	
O=C(O)c1cccc(C[C@H](NS(=O)(=O)Cc2ccccc2)B(O)O)c1	195357898	LCKOZWBVAVBOPR-HNNXBMFYSA-N	363.200	0.428	50	1	FCGF	in-vitro
CC(=O)/C=C/c1ccc(O)c(OO[C@H]2C[C@@](O)(C(=O)O)C[C@H](O)[C@@H]2O)c1	85644894	MXPAGBFCWKAUJY-UZKUGJDQSA-N	368.338	0.005	50	1	FCGF	biogenic,in-vitro
NC(=O)COc1ccc(/C=N/NC(=O)c2cccc(C(=O)NO)c2)cc1	95808979	JKBUOOOMCCJRJS-DJKKODMXSA-N	356.338	0.434	50	1	FCGF	
N=C(CCl)NCCC[C@@H](NC(=O)c1ccccc1)C(=O)NCC(=O)O	95559329	QZQICDRPHXCFNP-GFCCVEGCSA-N	368.821	0.572	50	1	FCGF	
CC1=C[C@H]2O[C@@H]3[C@H](O)[C@@H](O)[C@@](C)([C@]34CO4)[C@@]2(COC(=O)CCl)CC1	27652701	QPVVAWSGXBERRH-RHEXVZGZSA-N	358.818	0.773	50	1	FCGF	
COC1=C([N+](=O)[O-])/C(=C/NNC(=O)c2ccc3c(c2)OCCO3)C=CC1=O	13119108	SPMQJQGALVSGTH-PKNBQFBNSA-N	373.321	0.850	50	3	FCGF	
CC(=O)OC[C@@H](CCl)O[C@@H](COC(C)=O)n1cnc2c(N)ncnc21	28105740	AQOJLXVXHSYTDD-MNOVXSKESA-N	371.781	0.657	50	1	FCGF	
C=C(C)C(=O)O[C@H]1[C@H](O)/C(C=O)=C\CC/C(CO)=C/[C@@H]2OC(=O)C(=C)[C@H]21	238734837	HQPSNGXRJBMMAL-NOZHQDTGSA-N	362.378	0.771	50	1	FCGF	
Cc1ccc(-c2c(C(=O)NN)nnn2-c2ccc(S(N)(=O)=O)cc2)cc1	1857650455	ILJHVRSSHUVGCQ-UHFFFAOYSA-N	372.410	0.494	50	1	FCGF	
C=C(CC/C=C(\C)C=O)CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC(C)=O	34370161	BJNGJUDLULXJAZ-GGVCVCSLSA-N	372.414	0.245	50	1	FCGF	
C=C1C(=O)O[C@@H]2[C@@H]3[C@@H](C=C[C@@]3(C)OO)[C@](C)(O)[C@H](OC(C)=O)[C@H](O)[C@@H]12	137603686	OQNCVYGKABLVLD-QFCQXVBHSA-N	354.355	0.192	50	1	FCGF	
COc1ccc2c(c1)[n+]([O-])c(/C=N/NC(=O)c1ccncc1)c(C)[n+]2[O-]	102845251	FMUQJQIBKCDAOZ-VXLYETTFSA-N	353.338	0.583	50	1	FCGF	
CC(=O)OCCC(=O)[C@@H]1[C@@H]2CC[C@H](C)[C@H](O)[C@@H]2[C@H](Cl)[C@H](O)[C@]1(C)O	2356820650	FNAXQILHVJSNQO-CNUVZLFHSA-N	362.850	0.881	50	1	FCGF	
O=C(OC[C@@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](Cl)[C@@H]1O)c1ccccc1	5098056	RYHDUKPCPIZKRV-SCUASFONSA-N	366.757	0.259	50	1	FCGF	
CC(=O)C(OO[C@H](C(C)=O)[C@]1(C)c2c(cnn2C)CCN1C)C(C)=O	963953584	BHZPBAXLBGCQOH-SJORKVTESA-N	351.403	0.576	50	1	FCGF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(C)=O)C[C@](C)(O)[C@]13O[C@@H]1[C@H](Cl)[C@](C)(O)[C@@H]23	2356695985	FCQNUSQUNQQROJ-IFCGZZGMSA-N	372.801	0.296	50	1	FCGF	
O=C(CBr)NCCc1nc2ccc(-n3cnnn3)cc2[nH]1	586971181	OCWJKLPFUOJRFG-UHFFFAOYSA-N	350.180	0.592	50	1	FCGF	
CS(=O)(=O)c1ccc(C(=O)NNCc2ccc(O)c(O)c2O)cc1	1772624797	RTCBMLJMPYBPQR-UHFFFAOYSA-N	352.368	0.642	50	1	FCGF	
C=C1C(=O)O[C@@H]2[C@@H]1C[C@H](OC(C)=O)[C@](C)(O)[C@]1(O)[C@H](Cl)[C@@H]3O[C@]3(C)[C@H]21	2356329765	LJVWEMBASBCCFD-YHMIFGFFSA-N	372.801	0.296	50	1	FCGF	
CC(C)C[C@H](NC(=O)CN1C=C[C@H](N2CCCCC2)CC1=O)B(O)O	169960762	ARRKCSSOXNPKAT-GJZGRUSLSA-N	351.256	0.130	50	1	FCGF	
CN[C@@H](C)C(=O)N[C@@H](C(=O)N[C@@H](C)C(=O)NNc1ccccc1)C(C)C	169293299	MDQJPRMMNJMTSA-KCQAQPDRSA-N	363.462	0.383	50	1	FCGF	
CC1=CC2=NC(=O)/C(=C\NNC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)N2C=C1	103278683	PTEVQUJDSAHCJN-UKTHLTGXSA-N	367.321	0.954	50	1	FCGF	
N#C/C(C(=O)NCc1ccncn1)=C(/O)c1cc(O)c(O)c([N+](=O)[O-])c1	1857561944	GYXZDFWRCHTACG-RAXLEYEMSA-N	357.282	0.905	50	1	FCGF	
Cc1ccc2c(c1)[C@]1(C(=O)N2)C(C#N)=C(N)N2CCCNC2=C1[N+](=O)[O-]	653689400	HFMWEPXRFXLNCU-KRWDZBQOSA-N	352.354	0.634	50	1	FCGF	
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)n(CCBr)c1=O	6521436	BJEOIIUTPSGXLO-IVZWLZJFSA-N	374.195	0.672	50	1	FCGF	
C[C@@H](Cl)C(=O)O[C@H]1C[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2C(=O)[C@@H]1O)[C@@H]34	66065995	BQXYCTIQMQKUMG-BXBLUMELSA-N	370.877	0.992	50	1	FCGF	
CN(CC(=O)N[C@@H](CCCCN)B(O)O)C(=O)CCCc1ccccc1	170114948	ZIHZOSOFNXOFCF-INIZCTEOSA-N	363.267	0.094	50	1	FCGF	
N=C(N)NCCCCC(=O)NNC(=O)N[C@H](CC(=O)O)c1ccccc1	13472622	BLJRESKVKZWVMU-GFCCVEGCSA-N	364.406	0.186	50	1	FCGF	
N#CC1=C(N)N2CCCNC2=C([N+](=O)[O-])[C@]12C(=O)Nc1ccc(F)cc12	653703983	WZWFOPHCKXYHRB-MRXNPFEDSA-N	356.317	0.464	50	1	FCGF	
CC1=C[C@H]2O[C@@H]3[C@H](OC(=O)CCl)[C@@H](O)[C@](C)([C@@]2(CO)CC1)[C@@]31CO1	5493157	YIRDHPXSVXAEAC-SERJUKPJSA-N	358.818	0.773	50	1	FCGF	
CCN(CC)Cc1c(C(=O)N/N=C\c2ccco2)nnn1-c1nonc1N	15985649	JELWCZRRFFPCEF-IUXPMGMMSA-N	373.377	0.431	50	1	FCGF	
Cc1cn([C@H]2C[C@H](O)[C@@H](CCC(=O)CBr)O2)c(=O)[nH]c1=O	27733363	QGFGTOPSMOZUER-HBNTYKKESA-N	361.192	0.238	50	1	FCGF	
C[C@@H](Cl)[C@@]1(c2c(N)n(C)c(=O)n(C)c2=O)NCCc2ccc(O)cc21	963354727	ZDMLSACNCWXTMS-VVVCHXIZSA-N	364.833	0.388	50	1	FCGF	
CN[C@H](C)C(=O)N[C@@H](C(=O)N[C@H](C)C(=O)NNc1ccccc1)C(C)C	61925523	MDQJPRMMNJMTSA-UMVBOHGHSA-N	363.462	0.383	50	3	FCGF	
CC(C)(C)OC(=O)N[C@@H](CNC(=O)CI)C(=O)O	26655922	JBIDKMIEDVCTCA-LURJTMIESA-N	372.159	0.516	50	1	FCGF	
Cn1c2cc(B(O)O)sc2c2cnn(Cc3ccccc3F)c(=O)c21	195360193	QFALPJSEBRWNQT-UHFFFAOYSA-N	357.175	0.817	50	1	FCGF	
CCOC(=O)[C@H]1CCC/C1=N\NC(=O)CCn1cc(C)c(O)nc1=O	653798245	OLTUXVUCRMSKFG-MSXRGENMSA-N	350.375	0.483	50	1	FCGF	
NC(=O)COc1ccccc1/C=N/NC(=O)c1ccc(C(=O)NO)cc1	95809689	VTOXZHWSBNNKPV-DJKKODMXSA-N	356.338	0.434	50	1	FCGF	
CC1=C[C@H]2O[C@H]3[C@H](OC(=O)CCl)[C@@H](O)[C@@](C)([C@@]34CO4)[C@@]2(CO)CC1	101328282	YIRDHPXSVXAEAC-ZGILYASISA-N	358.818	0.773	50	1	FCGF	
CCCSS[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)nc(N)nc21	84651886	CXYHNQOQFMBXKU-QRKAXHLRSA-N	372.476	0.401	50	1	FCGF	
NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccccc2)cc1	299832107	RPRQANPMHNCYGO-UHFFFAOYSA-N	370.412	0.349	50	1	FCGF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O)[C@H](OC(C)=O)[C@](C)(O)[C@@H]1C=C[C@@](C)(OO)[C@@H]21	2356421615	OQNCVYGKABLVLD-UEVHMLKISA-N	354.355	0.192	50	1	FCGF	
Cc1ncc(Cn2nnc(C(=O)N/N=C/c3ccccc3O)c2C)c(N)n1	103231829	ZXZQKQZYOGPJTJ-DNTJNYDQSA-N	366.385	0.785	50	1	FCGF	
C=C(C)C(=O)O[C@H]1[C@H](O)/C(C=O)=C\CC/C(CO)=C\[C@@H]2OC(=O)C(=C)[C@H]21	238734828	HQPSNGXRJBMMAL-ZIHTZQNNSA-N	362.378	0.771	50	1	FCGF	
CC1=C(C=O)[C@@H]2C[C@@H]3N[C@@H](C[C@@]34C(=O)N(C)c3ccccc34)[C@]2(O)CO1	95911956	GZMCRBONSRHEMV-CBOSDZJASA-N	354.406	0.885	50	1	FCGF	biogenic,in-vitro
CCOC(=O)[C@@H](C(=O)O)N1C=CC(C(=O)N/N=C/c2ccccc2O)C=C1	100086947	OMZLBEWXMRKYLB-SKCQWOFPSA-N	373.365	0.818	50	1	FCGF	
O=C1C[C@@H]([C@H](Cl)[C@@H](O)[C@H](O)[C@H](O)CO)Oc2c1ccc1c2CCCC1	587499029	KOULMHQHHSARSJ-DRRXZNNHSA-N	370.829	0.582	50	1	FCGF	
COC1=CC([N+](=O)[O-])=C/C(=C\NNC(=O)[C@H]2COc3ccccc3O2)C1=O	13123324	ZIEIZUWEIXAQCA-TUPIDYKKSA-N	373.321	0.605	50	3	FCGF	
O=C(O)CNC(=O)c1ccc(NC(=S)NNC(=O)c2ccncc2)cc1	96928666	OYVNTAYEFZCGIZ-UHFFFAOYSA-N	373.394	0.527	50	1	FCGF	
COCc1cc(C)nc(OCC(=O)NN/C=C2\C=CC(=O)C=C2O)c1C#N	15962058	BKXNSMFCRCLILQ-XYOKQWHBSA-N	370.365	0.872	50	3	FCGF	
CC(=O)OCC1=C(C(=O)C(C)(C)C)N2C(=O)[C@H](Cl)[C@H]2S(=O)(=O)C1	13601840	WHDUDOMJDZLPDG-TVQRCGJNSA-N	363.819	0.623	50	1	FCGF	
C=C1C(=O)O[C@@H]2[C@@H]3[C@@H](CC[C@@]3(O)CO)C(C=O)=C[C@@H](OC(=O)C(C)C)[C@@H]12	70455247	RBLRXGNZYCTPBS-LFMDGEQZSA-N	364.394	0.541	50	1	FCGF	biogenic,in-vitro
O=C(OC[C@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](Cl)[C@H]1O)c1ccccc1	13143832	RYHDUKPCPIZKRV-ZZVYKPCYSA-N	366.757	0.259	50	1	FCGF	
N#CC(C#N)=C1NCCN1CCNCc1ccc(CN2CCC[C@H](O)C2)o1	13825576	DEVJEYZPXPIVKH-INIZCTEOSA-N	370.457	0.490	50	1	FCGF	
CC1(C)CNC2=C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)C(C#N)=C(N)N2C1	653687445	JSFGIPDLRQSECN-GOSISDBHSA-N	366.381	0.961	50	1	FCGF	
COc1nc(N2CCOCC2)nc([N+]23CC[N+](CCCl)(CC2)CC3)n1	1857770728	OKICCWGFFNSFNK-UHFFFAOYSA-N	370.885	0.107	50	1	FCGF	
C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)[C@H](O)[C@@H](OC(=O)C(C)C)[C@H]12	2356523641	ZSZVLNGSSSTMTM-NCOADZHNSA-N	364.394	0.851	50	1	FCGF	
CNC(=O)c1cc(N/C(C)=C2\C(=O)OC(=O)C(C(C)=O)=C2O)ccc1O	169320162	BQJUHIWVJRKFEZ-GHXNOFRVSA-N	360.322	0.922	50	1	FCGF	
Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1Br	27406586	FZJSBBLEROCIPZ-AOTGGKNNSA-N	364.587	0.076	50	1	FCGF	
COC1=CC([N+](=O)[O-])=C/C(=C\NNC(=O)[C@@H]2COc3ccccc3O2)C1=O	13123323	ZIEIZUWEIXAQCA-HQPKTYMTSA-N	373.321	0.605	50	3	FCGF	
COC1=C([N+](=O)[O-])/C(=C/NNC(=O)c2ccc3c(c2)OCO3)C=CC1=O	13130288	IQXONWAVYYYEPD-JXMROGBWSA-N	359.294	0.807	50	3	FCGF	
NC(=S)NNC(=O)c1c2c(n3ccccc13)C(=O)c1ncccc1C2=O	1857767504	FJYCVXRJPHONTR-UHFFFAOYSA-N	365.374	0.588	50	1	FCGF	
COC(=O)c1cc(NC(=O)c2c(OC)cccc2OC)c(B(O)O)s1	195170796	UGCLPDLWVYIXCZ-UHFFFAOYSA-N	365.172	0.484	50	1	FCGF	
C=C(C)C(=O)O[C@@H]1[C@H]2C(=C)C(=O)O[C@H]2[C@@H](O)[C@@](C)([C@@H]2CO2)[C@@H]1C(=C)C=O	15108223	XBEWYBVLFVBNQU-ULMQWSDISA-N	362.378	0.723	50	1	FCGF	
CCC[C@@H]1[C@@H]2C(=O)OC(=O)[C@@]23CC[C@@]12C(=O)OC(=O)[C@@H]2C[C@H](C)[C@H]3O	2356588011	FQGPVVLWZKYVBX-OCKDCUEASA-N	350.367	0.969	50	1	FCGF	
CNC(=O)c1cc(N/C(O)=C2\C(=O)OC(=O)C(C(C)=O)=C2O)ccc1O	169336162	REAFUIQLYVMCHX-SDNWHVSQSA-N	362.294	0.418	50	1	FCGF	
CC(=O)C(OO[C@H](C(C)=O)[C@@]1(C)c2c(cnn2C)CCN1C)C(C)=O	963953581	BHZPBAXLBGCQOH-IAGOWNOFSA-N	351.403	0.576	50	1	FCGF	
C=C(C)C(=O)O[C@@H]1[C@@H]2OC(=O)C(=C)[C@@H]2[C@H](O)[C@H](C(=C)C=O)[C@@]1(C)[C@@H]1CO1	13337537	DFMDMXNOBWIBEJ-NTOJFBDHSA-N	362.378	0.723	50	1	FCGF	biogenic
CC[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)NNc1ccccc1)C(C)C	64480330	GFMQOQJFOGAUSV-QEJZJMRPSA-N	363.462	0.513	50	1	FCGF	
COC1=CC=C/C(=C\NNC(=O)NN/C=C2\C=CC=C(OC)C2=O)C1=O	104034683	ZHYOOKLSYWTLHU-WGDLNXRISA-N	358.354	0.401	50	3	FCGF	
C[C@@]12OC(=O)[C@]1([C@@H](O)[C@H]1CCC[C@H](Cl)[C@H]1O)NC(=O)[C@@H]2CCCl	28521081	NQHGLNAPMWOUKN-RWOBCWRPSA-N	366.241	0.545	50	1	FCGF	
N#CC(C#N)=C1N(CCN2CCCCC2)CCN1CCN1CC[C@H](O)C1	40616210	CLLYBOQQZBVCTG-SFHVURJKSA-N	358.490	0.415	50	1	FCGF	
C=C(C=O)[C@H]1C[C@H](OC(=O)/C=C\c2ccc(O)cc2)[C@@]2(O)CO[C@H](O)[C@@H]12	38792180	HJTBDPQCVMXWMZ-FESMDYCJSA-N	360.362	0.788	50	1	FCGF	biogenic,in-vitro
C=C(CCC=C(C)C=O)CCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1OC(C)=O	2356658020	BJNGJUDLULXJAZ-WKULXVSPSA-N	372.414	0.245	50	1	FCGF	
COC1=CC=C/C(=C\NNC(=O)CNC(=O)CCc2ccccc2)C1=O	13123064	WDUQTLOUDXZODR-NTCAYCPXSA-N	355.394	0.909	50	3	FCGF	
N#Cc1cnn(-c2ccc(S(N)(=O)=O)cc2)c1NC(=O)CCCl	1857606454	STBQFYDBKQFENT-UHFFFAOYSA-N	353.791	0.959	50	1	FCGF	
CC(=O)C=Cc1ccc(O)c(OO[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@@H]2O)c1	2356633051	MXPAGBFCWKAUJY-UTXMOHQDSA-N	368.338	0.005	50	1	FCGF	
C=C(C=O)[C@@H]1C[C@@H]2O[C@H](O)[C@@]34[C@@H](O)CCC(C)(C)[C@H]3C(=O)[C@@H](O)[C@@H](C1)[C@@H]24	169652528	FRSFYLCYQPJEMS-OAVCMRSZSA-N	364.438	0.828	50	1	FCGF	
CC(C)(C)OC(=O)N1CCC(N2CCN(CCC(=O)NN)CC2)CC1	957737294	KDYAJMYPVBRGFC-UHFFFAOYSA-N	355.483	0.384	50	1	FCGF	
CC1=C[C@H]2O[C@@H]3[C@H](OC(=O)CCl)[C@@H](O)[C@@](C)([C@]34CO4)[C@@]2(CO)CC1	27656202	YIRDHPXSVXAEAC-RHEXVZGZSA-N	358.818	0.773	50	1	FCGF	
COc1cc2c(cc1OC)[C@H](C(CO)CO)N(C[C@@H](O)CCl)CC2	17217072	JTYIVAVNPJVXGA-GUYCJALGSA-N	359.850	0.804	50	1	FCGF	
C=C1[C@H](OCC)O[C@H](OCC)[C@@H]2[C@]1(O)C[C@H](OC(C)=O)[C@@]2(O)CCl	2356495952	MQENMLFELYIZMQ-XFHWEBQZSA-N	364.822	0.951	50	1	FCGF	
O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(B(O)O)c2)sc1Cl	169879923	AVUVNANVZXBVBU-UHFFFAOYSA-N	362.581	0.790	50	1	FCGF	
Cc1oc(CNS(C)(=O)=O)cc1-c1nc2ccc(C(=O)NN)cc2[nH]1	586945316	DEVYOLLNTQYVME-UHFFFAOYSA-N	363.399	0.784	50	1	FCGF	
Cc1cn([C@@H]2C[C@@H](O)[C@@H](CCC(=O)CBr)O2)c(=O)[nH]c1=O	27733345	QGFGTOPSMOZUER-MXWKQRLJSA-N	361.192	0.238	50	1	FCGF	
Cc1ccc2c(c1)C(=NNC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)N2	1857654819	UKCLIZMEHSMRLV-UHFFFAOYSA-N	358.379	0.729	50	1	FCGF	
CS[C@H](CNC(=O)N(CCCl)N=O)n1cc(F)c(=O)[nH]c1=O	5463746	PDHDKLAKLKCEPQ-SSDOTTSWSA-N	353.763	0.469	50	1	FCGF	
CC(=O)C1=C(O)/C(=C(\C)Nc2ccc(S(N)(=O)=O)cc2)C(=O)OC1=O	169316767	BSWZGTLJUAYWLX-XFFZJAGNSA-N	366.351	0.504	50	1	FCGF	
Cc1cc2c(cc1O)[C@](c1ccc(B(O)O)cc1)(C(C)C)N[C@H](C(=O)O)C2	963529209	WBMJEXIVRSCNNW-FXAWDEMLSA-N	369.226	0.879	50	1	FCGF	
CC1=C(N[C@@H](C)C(=O)N[C@@H](CC(C)C)B(O)O)C(=O)c2ccccc2C1=O	1772642400	PGTFNZINZRNOCX-WFASDCNBSA-N	372.230	0.861	50	1	FCGF	
N[C@H](CCl)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1	587012024	WFAWQKZGACJPSE-GFCCVEGCSA-N	351.838	0.552	50	1	FCGF	
CN1CCN(CCN2CCN(CCN3CCCCC3)C2=C(C#N)C#N)CC1	40614174	DOWPOCRAKNLQAU-UHFFFAOYSA-N	371.533	0.596	50	1	FCGF	
NS(=O)(=O)c1ccc2nc(CCNC(=O)CBr)[nH]c2c1	586970968	JHQUBCKUFWFEMD-UHFFFAOYSA-N	361.221	0.264	50	1	FCGF	
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)B(O)O	195216174	WCHKQPMLSDPXGM-IRXDYDNUSA-N	359.235	0.758	50	1	FCGF	
NCc1ccc(C(=O)N[C@H]2Cc3cccc(C(=O)O)c3O[B-]2(O)O)cc1	1857561158	QLXKUYDHLJOWQG-AWEZNQCLSA-N	357.151	0.040	50	1	FCGF	
CN1C(=O)C(=NNC(=O)c2ccc(S(N)(=O)=O)cc2)c2ccccc21	1857772247	FBFHQZQEXHSVOI-UHFFFAOYSA-N	358.379	0.445	50	1	FCGF	
COC1=CC=C/C(=C\NNC(=O)[C@H]2C(=O)NC[C@H]2c2ccccc2)C1=O	13125016	IERNVIXMRUVRRI-AWIOHZCQSA-N	353.378	0.690	50	3	FCGF	
Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@H](CO)O2)c(=O)n(CCBr)c1=O	38155795	BJEOIIUTPSGXLO-GUBZILKMSA-N	374.195	0.672	50	1	FCGF	
CC1=C[C@H]2O[C@@H]3[C@H](O)[C@@H](OC(=O)CCl)[C@@](C)([C@]34CO4)[C@@]2(CO)CC1	5493153	NKCJHBQJGPSCTL-RHEXVZGZSA-N	358.818	0.773	50	1	FCGF	
CC(=O)C1=C(O)/C(=C(\C)Nc2cccc(S(N)(=O)=O)c2)C(=O)OC1=O	169316277	QNSCGOJKUNHWDB-XFFZJAGNSA-N	366.351	0.504	50	1	FCGF	
COc1cc([C@@H]2C(C#N)=C(N)Oc3c2nc(O)[nH]c3=O)cc(OC)c1OC	2461774	DFZZFCANTMQVQP-LLVKDONJSA-N	372.337	0.719	50	1	FCGF	
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NCc1cnccn1)B(O)O	1857752508	RMAGJQQXEGPYBH-ROUUACIJSA-N	370.262	0.720	50	1	FCGF	
CCOc1ccc([C@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)cc1B(O)O	962901749	LBQNITFQGUSCMH-WMLDXEAASA-N	359.162	0.593	50	1	FCGF	
NNC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccccc1	103248260	CEOAVZKXWQJZTG-UHFFFAOYSA-N	357.395	0.790	50	1	FCGF	
O=C1C=C(NCCBr)C(=O)C=C1NCCBr	299832808	WDFILABNOIUBQY-UHFFFAOYSA-N	352.026	0.875	50	1	FCGF	
CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)NNc1ccccc1)C(C)C	64235619	MDQJPRMMNJMTSA-YDHLFZDLSA-N	363.462	0.383	50	1	FCGF	
C=C(C)C(=O)O[C@H]1[C@H]2C(=C)C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)[C@H]1O	1857536539	HQPSNGXRJBMMAL-TWMKSMIVSA-N	362.378	0.771	50	1	FCGF	
C=C(C)C(=O)O[C@H]1[C@H]2C(=C)C(=O)O[C@@H]2/C=C(/CO)CC/C=C(/C=O)[C@H]1O	1772586864	HQPSNGXRJBMMAL-ILVUNATCSA-N	362.378	0.771	50	1	FCGF	
O=C(O[C@H]1C[C@H](n2cc(F)c(O)nc2=O)O[C@@H]1CO)C(Cl)Cl	653709667	AWKSPMWHISBXEP-RRKCRQDMSA-N	357.121	0.083	50	1	FCGF	
COc1cc2c(cc1OC)[C@@H](C(CO)CO)N(C[C@H](O)CCl)CC2	5838913	JTYIVAVNPJVXGA-CXAGYDPISA-N	359.850	0.804	50	1	FCGF	
O=C(N[C@@H](CO)C(=O)N/N=C/c1ccccc1)c1ccc([N+](=O)[O-])cc1	40899296	FSJYOKYCKPTUTA-ZNBBLSJYSA-N	356.338	0.836	50	1	FCGF	
CC(=O)OC[C@H](CCl)O[C@H](COC(C)=O)n1cnc2c(N)ncnc21	28105757	AQOJLXVXHSYTDD-WDEREUQCSA-N	371.781	0.657	50	1	FCGF	
C=C1[C@H](OCC)O[C@H](OCC)[C@@H]2[C@@](O)(CCl)[C@@H](OC(C)=O)C[C@]12O	238783077	MQENMLFELYIZMQ-KXKVQDCLSA-N	364.822	0.951	50	1	FCGF	
C=C(C)C(=O)O[C@H]1[C@H]2C(=C)C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)[C@H]1O	299832503	HQPSNGXRJBMMAL-UMHOVXTMSA-N	362.378	0.771	50	1	FCGF	
N#CC(C#N)=C1NCCN1CCNCc1ccc(CN2CCC(O)CC2)o1	13825572	JHBKIQPZUOVPJP-UHFFFAOYSA-N	370.457	0.490	50	1	FCGF	
CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CCl)[C@@H](O)[C@H]3O)c2n1	12405408	GVKNNZQEBBSCRP-RVXWVPLUSA-N	365.821	0.808	50	1	FCGF	
COC(=O)[C@H](CSSCCN(C)C)NC(=O)c1nccnc1N	618008154	SPOKAXPSXWKSBR-VIFPVBQESA-N	359.477	0.273	50	1	FCGF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O)[C@H](OC(C)=O)[C@](C)(O)[C@@H]1C=C[C@](C)(OO)[C@@H]21	2356421613	OQNCVYGKABLVLD-DAKLZYGRSA-N	354.355	0.192	50	1	FCGF	
Cc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@H](CO)O2)c(=O)n(CCBr)c1=O	38155797	BJEOIIUTPSGXLO-UTLUCORTSA-N	374.195	0.672	50	1	FCGF	
CC(C)C[C@H](NC(=O)[C@@H](N)Cc1c(F)c(F)c(F)c(F)c1F)B(O)O	195295034	VDLWCRSFLJHWKD-YUMQZZPRSA-N	368.111	0.795	50	1	FCGF	
O=C(CNC(=O)c1ccco1)NN/C=C1\C=C(Br)C=CC1=O	15880031	KWQRTBKETQNQPR-VQHVLOKHSA-N	366.171	0.932	50	3	FCGF	
O=C(CCl)Nc1ccccc1C(=O)C(=O)NNC(=O)c1ccncc1	1857641228	HFWCHDBAXKGDQH-UHFFFAOYSA-N	360.757	0.903	50	1	FCGF	
CS(=O)(=O)c1ccc(C(=O)N/N=C/c2ccc(O)c(O)c2O)cc1	1772574769	UHDQZVJYGGPJKP-LZYBPNLTSA-N	350.352	0.971	50	1	FCGF	
COc1cc(/C(N)=C(\C#N)C(=O)NCc2ccncn2)cc([N+](=O)[O-])c1O	1857550288	RVSVGRGTIPEPRR-KAMYIIQDSA-N	370.325	0.609	50	1	FCGF	
O=S(=O)(O)C[C@H](S)CSSC[C@H](S)S(=O)(=O)O	84403329	DTOFWAYNEZSATC-RFZPGFLSSA-N	360.547	0.698	50	1	FCGF	
C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)[C@H](O)[C@@H](OC(=O)C(C)C)[C@@H]12	238736348	ZSZVLNGSSSTMTM-WHZRINGVSA-N	364.394	0.851	50	1	FCGF	
CC1=C[C@H]2O[C@H]3[C@H](O)[C@@H](OC(=O)CCl)[C@@](C)([C@@]34CO4)[C@@]2(CO)CC1	100947853	NKCJHBQJGPSCTL-ZGILYASISA-N	358.818	0.773	50	1	FCGF	
C=C(C=O)[C@@H]1C[C@H](OC(=O)C=Cc2ccc(O)cc2)[C@]2(O)CO[C@H](O)[C@H]12	2356443301	HJTBDPQCVMXWMZ-PLOWYNNNSA-N	360.362	0.788	50	1	FCGF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O)[C@H](OC(C)=O)[C@](C)(O)[C@@H]1C=C[C@](C)(OO)[C@H]21	2356421612	OQNCVYGKABLVLD-CIPAMYNRSA-N	354.355	0.192	50	1	FCGF	
NNC(=O)c1nc(-c2ccccc2)n(-c2ccc(S(N)(=O)=O)cc2)n1	169353519	FTCKAGQWJCTKAW-UHFFFAOYSA-N	358.383	0.185	50	1	FCGF	
CC(=O)OCCC(=O)[C@@H]1[C@H]2CC[C@H](C)[C@@H](O)[C@@H]2[C@H](Cl)[C@@H](O)[C@@]1(C)O	1772581943	FNAXQILHVJSNQO-VHNYBTCSSA-N	362.850	0.881	50	1	FCGF	
NNC(=O)c1ccc(N2CCN(c3ccc(C(=O)NN)cc3)CC2)cc1	26649984	JJQKJXSCUHRNPH-UHFFFAOYSA-N	354.414	0.220	50	1	FCGF	
COC1=C/C(=C(\C)NNC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)C=CC1=O	13122407	HHMJDLHDEIRADD-FMIVXFBMSA-N	361.358	0.972	50	3	FCGF	
CC(=O)O[C@H]1C[C@@](C)(O)[C@]23O[C@H]2[C@@H](Cl)[C@@](C)(O)[C@@H]3[C@H]2OC(=O)[C@@H](C)[C@H]12	138617195	CGAKJWNQAYBPPE-BVIHVHLHSA-N	374.817	0.376	50	1	FCGF	
COc1cccc([C@H](CC(=O)N[C@@H](CC(C)C)B(O)O)NC(C)=O)c1	195462821	SBARBFDZACEPDD-HOTGVXAUSA-N	350.224	0.805	50	1	FCGF	
CC1(C)N=C(N)N=C(N)N1c1cccc(CNC(=O)CBr)c1	13446221	IUJFHSUDVOZPJP-UHFFFAOYSA-N	367.251	0.883	50	1	FCGF	
CC(=O)C=Cc1ccc(O)c(OO[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2O)c1	2356633050	MXPAGBFCWKAUJY-MMTVNHQJSA-N	368.338	0.005	50	1	FCGF	
COC1=C/C(=C/NNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C=CC1=O	15974559	KAFLGZKFNDKNQV-PKNBQFBNSA-N	372.337	0.499	50	3	FCGF	
C=C1C(=O)O[C@@H]2[C@@H]3[C@@]4(O[C@@H]4[C@@H](Cl)[C@]3(C)O)[C@](C)(O)C[C@H](OC(C)=O)[C@@H]12	214466816	FCQNUSQUNQQROJ-JQYQDLBDSA-N	372.801	0.296	50	1	FCGF	
COc1ccc(C2=CNN/C2=C2\C=CC(OCC(=O)NN)=CC2=O)cc1	103657574	RJESMCPXPLARSZ-NBVRZTHBSA-N	354.366	0.427	50	3	FCGF	
CC1=C(C(=O)C/C(=N/NC(=O)CC#N)C(N)=O)[N+](=O)c2ccccc2[N+]1=O	103942166	HAHFTNGRTVMFJW-UHFFFAOYSA-P	370.325	0.583	50	1	FCGF	
COC1=CC(=CNNC(=O)[C@@H]2COc3ccccc3O2)C=C(OC)C1=O	13564499	WQASLWUWLIUJMV-INIZCTEOSA-N	358.350	0.974	50	3	FCGF	
CC(=O)OC[C@@H](CCl)O[C@H](COC(C)=O)n1cnc2c(N)ncnc21	28105751	AQOJLXVXHSYTDD-GHMZBOCLSA-N	371.781	0.657	50	1	FCGF	
NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(C(=O)NO)cc2)cc1	95808965	DFTWBIOCUAPVLG-DJKKODMXSA-N	356.338	0.434	50	1	FCGF	
O=C(CCNc1n[nH]c(=O)[nH]c1=O)N/N=C\c1ccc(C(F)(F)F)cc1	33282998	UILKIXZJDRIQCS-GXHLCREISA-N	370.291	0.429	50	1	FCGF	
Nn1c(Cc2cccs2)nn(CC(=O)N/N=C/c2cccs2)c1=O	299824805	BZWMZMYYPPLEBZ-LZYBPNLTSA-N	362.440	0.623	50	1	FCGF	
CC(=O)O[C@@H]1C[C@](C)(O)[C@]23O[C@@H]2[C@H](Cl)[C@](C)(O)[C@@H]3[C@@H]2OC(=O)[C@H](C)[C@H]12	2356397395	CGAKJWNQAYBPPE-WQDYGRSISA-N	374.817	0.376	50	1	FCGF	
CCOC(=O)[C@H](C(=O)O)N1C=CCC(C(=O)N/N=C/c2ccccc2O)=C1	100086989	DHBQVPHYJFDACN-RPJLVFAOSA-N	373.365	0.962	50	1	FCGF	
O=C(NNS(=O)(=O)c1ccccc1)c1cccc(N2CCNCC2)c1	1857543708	MMYOOATVSWRZED-UHFFFAOYSA-N	360.439	0.720	50	1	FCGF	
NS(=O)(=O)c1cccc2nc(CCNC(=O)CBr)[nH]c12	586970732	FLHPALXPTCKWKS-UHFFFAOYSA-N	361.221	0.264	50	1	FCGF	
Cc1cn([C@H]2C[C@H](n3cc(CCCCl)nn3)[C@@H](CO)O2)c(=O)[nH]c1=O	49088581	JCFGHRVDIQVAIN-YNEHKIRRSA-N	369.809	0.129	50	1	FCGF	
CCN(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)C(C)=O	101295213	NPEJHDQUNGKNRD-UHFFFAOYSA-N	360.370	0.629	50	1	FCGF	
CC1=C[C@H]2O[C@H]3[C@H](O)[C@@H](OC(=O)CCl)[C@@](C)([C@]34CO4)[C@@]2(CO)CC1	100947848	NKCJHBQJGPSCTL-CSLHBSPDSA-N	358.818	0.773	50	1	FCGF	
CCc1cn([C@H]2C[C@@H](I)[C@@H](CO)O2)c(=O)[nH]c1=O	27709329	CAYKSEIJSFVTJG-IWSPIJDZSA-N	366.155	0.182	50	1	FCGF	
CC(C)Oc1cc(B(O)O)cc([C@@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)c1	962916388	DAOGVQSHHJCDFH-WMZOPIPTSA-N	373.189	0.981	50	1	FCGF	
CC1=C[C@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@](C)([C@]34CO4)[C@@]2(COC(=O)CCl)CC1	101331914	QPVVAWSGXBERRH-CSLHBSPDSA-N	358.818	0.773	50	1	FCGF	
COC1=CC=C/C(=C\NNC(=O)CNC(=O)/C=C\c2ccccc2)C1=O	15837014	DYOJJFLGPJAVDT-WTPCJXRQSA-N	353.378	0.990	50	3	FCGF	
CN1CC[C@@]23c4c5ccc(O)c4O[C@H]2/C(=N\NC(N)=O)CC[C@@]3(O)[C@@H]1C5	36221729	QEDIUYOQWLETJX-ZXIYSPFXSA-N	358.398	0.200	50	1	FCGF	
O=C(O)[C@@H]1[C@@H]2C[C@H]([C@@H]1C(=O)O)[C@H](N1C(=O)CCC1=O)[C@@H]2Br	4974656	DGUWCGCSFBDQTL-OPNLKVBXSA-N	360.160	0.319	50	1	FCGF	
COc1c(NNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)c(=O)c1=O	169326122	JDDPOIKFBHEJPM-VIFPVBQESA-N	355.391	0.674	50	1	FCGF	
C/C(=N/NC(=O)c1nnn(-c2nonc2N)c1C(C)C)c1ccncc1	13143060	AXXKSUFRPSDZDO-NVMNQCDNSA-N	355.362	0.905	50	1	FCGF	
C[C@@H]1N[C@H](C(=O)NNC(=O)[C@@H](N)CCCCN)Cc2c1[nH]c1ccccc21	72105476	HDUCYUYEXRZFRA-PJODQICGSA-N	372.473	0.347	50	1	FCGF	
COCc1cc(C)nc(OCC(=O)NNC=C2C=CC(=O)C=C2)c1C#N	13126149	UVIVJWPPGGIAIW-UHFFFAOYSA-N	354.366	0.987	50	3	FCGF	
O=S(=O)(O)C[C@H](S)CSSC[C@@H](S)S(=O)(=O)O	84403327	DTOFWAYNEZSATC-UHNVWZDZSA-N	360.547	0.698	50	1	FCGF	
CCOC(=O)N1CCN(CC(=O)NNc2nncc3ccccc23)CC1	84618859	APATVTNQONSWOS-UHFFFAOYSA-N	358.402	0.847	50	1	FCGF	
O=C1NC(=O)C(C(=O)NNC(=O)Nc2ccc(Cl)c(Cl)c2)C(=O)N1	1772609155	PGZBKEAOKZOVLW-UHFFFAOYSA-N	374.140	0.128	50	1	FCGF	
CS(=O)(=O)N(CCCl)N(C(=O)c1ccccc1)S(C)(=O)=O	27099027	CJRWDVNOVRDRKB-UHFFFAOYSA-N	354.837	0.504	50	1	FCGF	
C=C(C=O)[C@@H]1C[C@H](OC(=O)C=Cc2ccc(O)cc2)[C@]2(O)CO[C@@H](O)[C@H]12	2356443302	HJTBDPQCVMXWMZ-WAARBJQMSA-N	360.362	0.788	50	1	FCGF	
O=C(N/N=C\c1ccc(OCC(=O)N2CCCC2)cc1)C(=O)NC1CC1	33364048	VEKZPPSTGFGOTL-ODLFYWEKSA-N	358.398	0.417	50	1	FCGF	
CCn1c(N)c([C@@]2(CCl)NCCc3nc4ccccn4c32)c(O)nc1=O	962988078	WSXAJICRVUCOKV-QGZVFWFLSA-N	374.832	0.827	50	1	FCGF	
CSS[C@H]1C[C@H](n2cc(Br)c(=O)[nH]c2=O)O[C@@H]1CO	40894053	MHVXQRDREOXPTL-GJMOJQLCSA-N	369.262	0.959	50	1	FCGF	
CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CCl)[C@H](O)[C@@H]3O)c2n1	26732029	GVKNNZQEBBSCRP-DPBRGUSISA-N	365.821	0.808	50	1	FCGF	
C/C(N)=C(/C#N)C(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O	6157444	YKNPSSBNWPENQL-VOMSXAGXSA-N	351.366	0.956	50	3	FCGF	
COc1ccccc1/C=C\C(=O)NCC(=O)NN/C=C1\C=CC(=O)C=C1O	13119296	WZGFWCKTHHQGOL-SKIMZWBYSA-N	369.377	0.910	50	3	FCGF	
Cc1cc2c(cc1O)[C@@](c1ccc(B(O)O)cc1)(C(C)C)N[C@H](C(=O)O)C2	963529213	WBMJEXIVRSCNNW-PXNSSMCTSA-N	369.226	0.879	50	1	FCGF	
COc1ccccc1C1=CNN/C1=C1\C=CC(OCC(=O)NN)=CC1=O	103658477	ORTPIOBYYDOAEQ-QGOAFFKASA-N	354.366	0.427	50	3	FCGF	
O=C(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](Cl)[C@@H]1O)c1ccccc1	5098036	RYHDUKPCPIZKRV-YXCITZCRSA-N	366.757	0.259	50	1	FCGF	
Nc1nc(Cl)nc2c1ncn2[C@H]1O[C@H](CO)[C@H](O)[C@H]1Br	27406588	FZJSBBLEROCIPZ-SUNGNLGOSA-N	364.587	0.076	50	1	FCGF	
CC(=O)C1=C(O)/C(=C(\O)Nc2ccc(OCC(=O)O)cc2)C(=O)OC1=O	169336613	HHOFNSYXNMUTRY-WYMLVPIESA-N	363.278	0.816	50	1	FCGF	
CO[C@@]1(C(=O)c2ccccc2)NC(=O)[C@]2(OC(/C=C/C=O)=C(C)C2=O)[C@H]1O	40898105	ZMDFBVNQZRCJKR-XENMDSHASA-N	371.345	0.070	50	1	FCGF	
C=C(C=O)[C@@H]1C[C@H](OC(=O)C=Cc2ccc(O)cc2)[C@]2(O)CO[C@@H](O)[C@@H]12	2356443299	HJTBDPQCVMXWMZ-BHEBFOIGSA-N	360.362	0.788	50	1	FCGF	
COC(=O)[C@@H]1[C@H]2O[C@@H]([C@H](Br)[C@H]2Br)[C@@H]1C(=O)OC	256067571	YCJUEHAUUDTAAS-XAZAIFFQSA-N	372.009	0.873	50	3	FCGF	
O=C(Cn1nc2ccccc2n1)NN/C=C1\C=C(Cl)C=C([N+](=O)[O-])C1=O	13125974	QRSVTBMEVHNDKF-VQHVLOKHSA-N	374.744	0.802	50	3	FCGF	
NS(=O)(=O)c1ccc(C(=O)NN=C2C(=O)Nc3ccc(F)cc32)cc1	1857656319	UNKUCJZTLRGTLR-UHFFFAOYSA-N	362.342	0.559	50	1	FCGF	
COC1=CC=C/C(=C\NNC(=O)[C@H]2C(=O)NC[C@@H]2c2ccccc2)C1=O	13125014	IERNVIXMRUVRRI-RNTKJRCOSA-N	353.378	0.690	50	3	FCGF	
CO[C@@]1(C(=O)c2ccccc2)NC(=O)[C@]2(OC(/C=C/C#N)=C(C)C2=O)[C@H]1O	40914838	UEVDDISPGOWHJI-XENMDSHASA-N	368.345	0.395	50	1	FCGF	
C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)[C@H](O)[C@H](OC(=O)C(C)C)[C@@H]12	2356523640	ZSZVLNGSSSTMTM-LTIDMASMSA-N	364.394	0.851	50	1	FCGF	
COc1ccc(/C=C\C(=O)NCC(=O)NN/C=C2\C=CC(=O)C=C2O)cc1	13119303	SWOOACBSYNSSNU-AAWJIYQBSA-N	369.377	0.910	50	3	FCGF	
C=C(C(=O)Nc1ncc(B(O)O)cn1)[C@@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1	1857547094	LIARXUINBRHKLG-ZBINZKHDSA-N	369.230	0.993	50	1	FCGF	
Cc1cn([C@@H]2C[C@@H](O)[C@H](CCC(=O)CBr)O2)c(=O)[nH]c1=O	40511645	QGFGTOPSMOZUER-VWYCJHECSA-N	361.192	0.238	50	1	FCGF	
CN1CC[C@@]23c4c5ccc(O)c4O[C@H]2/C(=N\NC(N)=O)CC[C@@]3(O)[C@H]1C5	169366025	QEDIUYOQWLETJX-FMXVFHQHSA-N	358.398	0.200	50	1	FCGF	in-vivo
CC1=C[C@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@](C)([C@@]34CO4)[C@@]2(COC(=O)CCl)CC1	101331915	QPVVAWSGXBERRH-ZGILYASISA-N	358.818	0.773	50	1	FCGF	
CC(C)C(=O)O[C@H]1[C@@H](F)[C@H](n2ccc(N)nc2=O)O[C@@]1(CO)CCl	147023588	NEHUCLGOHOWDEO-FBKDDSFISA-N	363.773	0.230	50	1	FCGF	
CONc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CCl)[C@@H](O)[C@H]1O	3811027	ZUIVWUJDCHSHER-KQYNXXCUSA-N	350.162	0.311	50	1	FCGF	
O=C(O)[C@H]1[C@@H]2C[C@@H]([C@H]1C(=O)O)[C@@H](Br)[C@H]2N1C(=O)CCC1=O	102917500	DGUWCGCSFBDQTL-NSYWUSOUSA-N	360.160	0.319	50	1	FCGF	
COCCOCCOCCOC(=O)CN1C(=O)[C@@]2(C)C=C(C)[C@H]1OO2	103254279	BYJVYCBOYRAODH-GDBMZVCRSA-N	359.375	0.044	50	1	FCGF	
CC(=O)O[C@@H]1C[C@](C)(O)[C@]23O[C@@H]2[C@H](Cl)[C@](C)(O)[C@@H]3[C@@H]2OC(=O)[C@H](C)[C@@H]12	2356397394	CGAKJWNQAYBPPE-FDTJWQDFSA-N	374.817	0.376	50	1	FCGF	
N[C@@H](C(=O)N[C@H](C=O)[C@H]1CC[C@H](Cl)C(C(=O)O)=N1)c1ccccc1	15529318	DRTWKGBDHBOYMS-UMSGYPCISA-N	351.790	0.666	50	1	FCGF	in-vitro
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(C)=O)C[C@](C)(O)[C@]13O[C@@H]1[C@H](Cl)[C@@](C)(O)[C@@H]23	2356695986	FCQNUSQUNQQROJ-OANLTPPESA-N	372.801	0.296	50	1	FCGF	
CCOCCOc1ccc([C@@H]2NCCc3c(C)ccnc32)cc1B(O)O	963069438	MSLCYNGBWMXQIC-SFHVURJKSA-N	356.231	0.720	50	1	FCGF	
CS(=O)(=O)OCCN1[C@H](OO)CCO[P@]1(=O)NCCCl	299846894	JMNAXGGBZNWMSN-LILOVNGRSA-N	352.733	0.437	50	1	FCGF	
Nc1nc(OC2CCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](Cl)[C@H]1O	72175881	QVJVZYVPELMVQK-SZRLZVLASA-N	369.809	0.588	50	1	FCGF	
CCCSS[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc21	34434690	VFCOHIOQJGBUGV-SQFXPHBZSA-N	357.461	0.819	50	1	FCGF	
N#C/C(C(=O)NCc1ccncn1)=C(/N)c1cc(O)c(O)c([N+](=O)[O-])c1	1857559975	VIIHLUSMRODHPW-RAXLEYEMSA-N	356.298	0.306	50	1	FCGF	
O=C(CCl)O[C@H]1C[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2C(=O)[C@H]1O)[C@@H]34	66075909	HVNYGYZRZBXGIZ-OUCVOORDSA-N	356.850	0.603	50	1	FCGF	
O=C(O)[C@H]1[C@@H]2C[C@H]([C@H]1C(=O)O)[C@@H](Br)[C@H]2N1C(=O)CCC1=O	4974655	DGUWCGCSFBDQTL-HQTRYBCRSA-N	360.160	0.319	50	1	FCGF	
COc1c(B(O)O)cc(C)cc1[C@H]1NCCc2ccc(C(=O)N(C)C)cc21	962925898	RGXYQKHMKRLRGB-SFHVURJKSA-N	368.242	0.620	50	1	FCGF	
CN(CCOS(C)(=O)=O)[P@@]1(=O)OCC[C@H](OO)N1CCCl	299846560	FFHODLOFGRTFFL-GWNMQOMSSA-N	366.760	0.779	50	1	FCGF	
O=C(COc1ccccc1[N+](=O)[O-])NN/C=C1/C=CC(=O)C([N+](=O)[O-])=C1	13120069	HVKBTKMUWSPDMU-NTMALXAHSA-N	360.282	0.778	50	3	FCGF	
O=C(OC[C@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@@H](Cl)[C@@H]1O)c1ccccc1	13143837	RYHDUKPCPIZKRV-CABNGKKXSA-N	366.757	0.259	50	1	FCGF	
CCCSS[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc21	84651885	VFCOHIOQJGBUGV-QYVSTXNMSA-N	357.461	0.819	50	1	FCGF	
CN1CC[C@]23c4c5ccc(O)c4O[C@H]2/C(=N\NC(N)=O)CC[C@@]3(O)[C@@H]1C5	100676004	QEDIUYOQWLETJX-JEFVLTEESA-N	358.398	0.200	50	1	FCGF	
O=C1N=c2ccc(F)cc2=C1NNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1	206390554	PSRVACAMSQGNSZ-UHFFFAOYSA-N	368.280	0.683	50	1	FCGF	
Cc1ccc2c(c1)[C@@]1(C(=O)N2)C(C#N)=C(N)N2CCCNC2=C1[N+](=O)[O-]	653689401	HFMWEPXRFXLNCU-QGZVFWFLSA-N	352.354	0.634	50	1	FCGF	
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)N=c1cncc[nH]1)B(O)O	1857752384	XWEXEJPWLXLXNV-HOTGVXAUSA-N	356.235	0.465	50	1	FCGF	
CN(C)S(=O)(=O)Oc1cccc2c1C(=O)C=C(NCCCl)C2=O	29396053	XTCILCKOCPLPNH-UHFFFAOYSA-N	358.803	0.963	50	1	FCGF	
CO[C@H]1C(=O)N2C(C(=O)OC(C)(C)C)=C(CCl)CS(=O)(=O)[C@@H]12	26572369	BSHHBVCILYRRFB-ONGXEEELSA-N	351.808	0.433	50	1	FCGF	
O=C(CNC(=O)c1ccc(F)cc1)NN/C=C1/C=CC(=O)C([N+](=O)[O-])=C1	15973811	ADVUZJQQIMIZGP-NTMALXAHSA-N	360.301	0.360	50	3	FCGF	
COC1=CC=C/C(=C\NNC(=O)CNC(=O)COc2cccc(C)c2)C1=O	13119299	MUGAIISIWIAXAR-GXDHUFHOSA-N	371.393	0.664	50	3	FCGF	
C=C(C=O)[C@H]1C[C@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@]2(O)CO[C@H](O)[C@@H]12	38792178	HJTBDPQCVMXWMZ-AQSJNEJESA-N	360.362	0.788	50	1	FCGF	biogenic,in-vitro
C=C1C(=O)O[C@H]2[C@H]1C[C@@H](OC(C)=O)[C@@](C)(O)[C@@]13O[C@@H]1[C@@H](Cl)[C@](C)(O)[C@H]23	238752995	WZHNDBOONHRJEN-JQYQDLBDSA-N	372.801	0.296	50	1	FCGF	
Cc1cc(B(O)O)cc([C@@H]2N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)c1F	963508550	KNOZWZQNKWREHS-GUYCJALGSA-N	359.162	0.516	50	1	FCGF	
CCOC1=C/C(=C/NNC(=O)C(=O)NC2CC2)C=C(Br)C1=O	15973854	JJUBTTCBSDAIJE-BQYQJAHWSA-N	370.203	0.552	50	3	FCGF	
O=C(CCl)O[C@H]1C[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2C(=O)[C@@H]1O)[C@@H]34	66075912	HVNYGYZRZBXGIZ-KQDIHMBZSA-N	356.850	0.603	50	1	FCGF	
O=C(Cn1nnc(-c2ccccc2)n1)NN/C=C1\C=CC=C([N+](=O)[O-])C1=O	13120060	GMYVBUDUWDXUTA-FMIVXFBMSA-N	367.325	0.144	50	3	FCGF	
CC(=O)N/N=C(\N)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1	96169175	MQXKTANQHWFFQG-UHFFFAOYSA-N	361.369	0.574	50	1	FCGF	
COc1cc([C@H]2C(C#N)=C(N)Oc3c2nc(O)[nH]c3=O)cc(OC)c1OC	2461775	DFZZFCANTMQVQP-NSHDSACASA-N	372.337	0.719	50	1	FCGF	
N#CC(C#N)=C1NCCN1CCNCc1ccc(CN2CCC[C@@H](O)C2)o1	13825574	DEVJEYZPXPIVKH-MRXNPFEDSA-N	370.457	0.490	50	1	FCGF	
O=C(NP(=O)(NN1CCOCC1)NN1CCOCC1)c1ccccc1	64453985	MDKLBLSRVRHLTH-UHFFFAOYSA-N	369.362	0.198	50	1	FCGF	
CN1C(=O)C(C(=O)NNC(=O)Nc2ccc(Cl)cc2)C(=O)N(C)C1=O	1772620891	GHJRVNWTNZTDPL-UHFFFAOYSA-N	367.749	0.159	50	1	FCGF	
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc[nH]c1)B(O)O	195354202	DFDIPWUMISRQTG-IRXDYDNUSA-N	371.246	0.899	50	1	FCGF	
CS(=O)(=O)Nc1ccc(O)c(-c2nc3ccc(C(=O)NN)cc3[nH]2)c1	586949016	OPHIENSGMNALSK-UHFFFAOYSA-N	361.383	0.911	50	1	FCGF	
CN(CCOS(C)(=O)=O)[P@@]1(=O)OCC[C@@H](OO)N1CCCl	169319560	FFHODLOFGRTFFL-GSDQLPOLSA-N	366.760	0.779	50	1	FCGF	
[N-]=[N+]=N[C@@H](CBr)c1cn(CCC(CO)CO)c(=O)[nH]c1=O	27418202	JWQPXBKLNNJDMX-VIFPVBQESA-N	362.184	0.274	50	1	FCGF	
CC(C)C[C@H](NC(=O)[C@H](C)NC1=CC(=O)c2ccccc2C1=O)B(O)O	1772615994	KSAUIZZGFHODAO-ZBEGNZNMSA-N	358.203	0.471	50	1	FCGF	
COc1cccc(Cn2ncc3c4sc(B(O)O)cc4n(C)c3c2=O)c1	195333913	QMFBFIHSFLZMIJ-UHFFFAOYSA-N	369.211	0.686	50	1	FCGF	
COC1=CC=C/C(=C\NNC(=O)[C@@H]2C(=O)NC[C@@H]2c2ccccc2)C1=O	13125015	IERNVIXMRUVRRI-QCIVWTMKSA-N	353.378	0.690	50	3	FCGF	
CCOC(=O)/C(C#N)=C1/C(O)=C(C(=O)OC)C(C(=O)OC)=C1C(=O)OC	5827973	DWOPQRLLEWLVIZ-BQYQJAHWSA-N	365.294	0.011	50	1	FCGF	
CS[C@H](CCNC(=O)N(CCCl)N=O)n1cc(F)c(=O)[nH]c1=O	29211716	FZWOVKLNSYNLSA-MRVPVSSYSA-N	367.790	0.859	50	1	FCGF	
CC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)OCCBr	28766966	HQJJKWGRAQUKMB-LBPRGKRZSA-N	372.219	0.886	50	1	FCGF	
C#CCN(N=O)C(=O)NCCC[C@H](NC(C)=O)C(=O)NCc1ccccc1	5663028	IEQNIIIWMFKPLR-INIZCTEOSA-N	373.413	0.914	50	1	FCGF	
N=C(CCl)NCCC[C@@H](NC(=O)c1ccccc1C(=O)O)C(N)=O	95561363	VUCFCRGOVAAFJN-LLVKDONJSA-N	354.794	0.554	50	1	FCGF	
C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)[C@H](O)[C@H](OC(=O)C(C)C)[C@H]12	2356523643	ZSZVLNGSSSTMTM-WCXIOVBPSA-N	364.394	0.851	50	1	FCGF	
COC1=C/C(=C/NNC(=O)CC(=O)NCCc2ccccc2)C=CC1=O	15961639	QYHFHPDHGHZFEK-FYWRMAATSA-N	355.394	0.909	50	3	FCGF	
N#C/C=C/C1=C(C(=O)O)N2C(=O)/C(=C/c3ccccn3)[C@H]2S(=O)(=O)C1	36187713	ITJYYTDFHUHVOA-GXWFSOQKSA-N	357.347	0.480	50	1	FCGF	
C=C(C=O)[C@@H]1C[C@H](O)[C@@H]2[C@@H](C1)C(=O)[C@@H](O)[C@@H]1C(C)(C)CC[C@H](O)[C@@]21C=O	238774789	BBLXJVHZXQWCBK-UIVQTMAGSA-N	364.438	0.671	50	1	FCGF	
Cc1ccc(S(=O)(=O)N2CC3(C[C@H]2C(=O)NN)SCCS3)cc1	103249748	KKDAXBNRYRMJPP-LBPRGKRZSA-N	373.525	0.924	50	1	FCGF	
COc1cc(/C=N/NC(=O)CNC(=O)c2ccncc2)ccc1OC(C)=O	6995681	YKOAHXXIORAJHK-UFFVCSGVSA-N	370.365	0.896	50	3	FCGF	
Cc1ncc(Cn2nnc(C(=O)N/N=C/c3ccc(O)cc3)c2C)c(N)n1	103231835	ZFHZSWRIXUFPDP-IFRROFPPSA-N	366.385	0.785	50	1	FCGF	
CC(=O)OCC1=CC(=O)[C@]2([C@@H](C=C(C)C=CC=O)OC(C)=O)O[C@H]2C1=O	2356658451	SVNKMLNHRUIBIV-BPQIPLTHSA-N	362.334	0.398	50	1	FCGF	
CN(CCO)c1ccc(/C=N/NC(=O)c2ccc(C(=O)NO)cc2)cc1	95809688	HHUKAEYINWQDRB-XDHOZWIPSA-N	356.382	0.998	50	1	FCGF	
CN(CCOS(C)(=O)=O)[P@]1(=O)OCC[C@H](OO)N1CCCl	299846561	FFHODLOFGRTFFL-LXGOIASLSA-N	366.760	0.779	50	1	FCGF	
CC(=O)O[C@@H]1C=CC=C2C[C@@]34SS[C@@](CO)(C(=O)N3[C@H]21)N(C)C4=O	2356705700	ANMNRGVATKMYOR-FIXIBIHLSA-N	368.436	0.267	50	1	FCGF	
C=C1C(=O)O[C@@H]2[C@@H]1C[C@H](OC(C)=O)[C@](C)(O)[C@]1(O)[C@H](Cl)[C@@H]3O[C@@]3(C)[C@H]21	2356329763	LJVWEMBASBCCFD-RNYHMVEWSA-N	372.801	0.296	50	1	FCGF	
Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)n(CCBr)c1=O	29324935	BJEOIIUTPSGXLO-AEJSXWLSSA-N	374.195	0.672	50	1	FCGF	
COc1ccc(/C=N/NC(=O)c2cnc3[nH]c(=O)n(C)c(=O)c3c2)cc1	1649532	GPCBYMAWJPGNSV-UFWORHAWSA-N	353.338	0.394	50	1	FCGF	
C=C(C=O)[C@]1(O)O[C@@H]2C[C@@]3(C)OC(=CC3=O)C(C)=C[C@@H]3OC(=O)[C@]1(C)[C@H]32	2356850524	PQUWBDZLXMUIKS-APMPMNJCSA-N	360.362	0.969	50	1	FCGF	
CC(=O)C(OO[C@@H](C(C)=O)[C@@]1(C)c2c(cnn2C)CCN1C)C(C)=O	963953580	BHZPBAXLBGCQOH-DLBZAZTESA-N	351.403	0.576	50	1	FCGF	
CN1C(NNC(=O)c2ccc([N+](=O)[O-])o2)=NS(=O)(=O)c2ccccc21	28951288	RCURFDHRXZDRJY-UHFFFAOYSA-N	365.327	0.617	50	1	FCGF	
O=C1C=C/C(=C\NNC(=O)CNC(=O)[C@@H]2COc3ccccc3O2)C(O)=C1	15974024	LMYNQZFGHOCXNB-KXKDPZRNSA-N	371.349	0.028	50	3	FCGF	
CC(=O)OCCC(=O)[C@@H]1[C@@H]2CC[C@H](C)[C@H](O)[C@@H]2[C@H](Cl)[C@H](O)[C@@]1(C)O	2356820651	FNAXQILHVJSNQO-IXPJGYCKSA-N	362.850	0.881	50	1	FCGF	
CCOC(=O)[C@@H]1CCC/C1=N\NC(=O)CCn1cc(C)c(O)nc1=O	653798246	OLTUXVUCRMSKFG-UCXYNXEWSA-N	350.375	0.483	50	1	FCGF	
CCCc1c(C(=O)NN/C(C)=C2\C=CC=CC2=O)nnn1-c1nonc1N	104004905	WHMPHECHMYRCAS-MDZDMXLPSA-N	370.373	0.389	50	3	FCGF	
N#CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)CSc3ccccc3)CN2C1	40475254	QTFRRNUQOVGOIZ-LBPRGKRZSA-N	358.379	0.199	50	1	FCGF	
O=S(=O)(O)C[C@@H](S)CSSC[C@H](S)S(=O)(=O)O	84403328	DTOFWAYNEZSATC-CRCLSJGQSA-N	360.547	0.698	50	1	FCGF	
CCCc1c(O)ccc2c1O[C@H]([C@H](Cl)[C@@H](O)[C@H](O)[C@H](O)CO)CC2=O	587462373	PXCCNRIOSLEYSC-LYYZXLFJSA-N	374.817	0.361	50	1	FCGF	
CC(=O)OC[C@H]1O[C@@H](Cl)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	15205548	BYWPSIUIJNAJDV-DHGKCCLASA-N	366.750	0.308	50	1	FCGF	
Cc1cn([C@@H]2C[C@H](O)[C@@H](CCC(=O)CBr)O2)c(=O)[nH]c1=O	27733356	QGFGTOPSMOZUER-AXFHLTTASA-N	361.192	0.238	50	1	FCGF	
COCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)B(O)O	653730198	HZJJGJFERHRLCB-HOTGVXAUSA-N	364.251	0.293	50	1	FCGF	
COC1=CC=C/C(=C\NNC(=O)[C@@H]2C(=O)NC[C@H]2c2ccccc2)C1=O	38169441	IERNVIXMRUVRRI-HUUYWPLNSA-N	353.378	0.690	50	3	FCGF	
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NCc1ccc(B(O)O)cc1	195406132	DVUBBTCJWLJLJI-GOSISDBHSA-N	352.199	0.722	50	3	FCGF	
NNC(=O)c1nnn(-c2ccc(S(N)(=O)=O)cc2)c1-c1cccs1	1857651234	CDFSUTZDPRORMS-UHFFFAOYSA-N	364.412	0.247	50	1	FCGF	
COc1c(B(O)O)cc(C)cc1[C@@H]1NCCc2ccc(C(=O)N(C)C)cc21	962925890	RGXYQKHMKRLRGB-GOSISDBHSA-N	368.242	0.620	50	1	FCGF	
CC(=O)OCC1=CC(=O)[C@]2([C@H](C=C(C)C=CC=O)OC(C)=O)O[C@H]2C1=O	2356658454	SVNKMLNHRUIBIV-RYQLBKOJSA-N	362.334	0.398	50	1	FCGF	
CC(=O)C(OO[C@@H](C(C)=O)[C@]1(C)c2c(cnn2C)CCN1C)C(C)=O	963953582	BHZPBAXLBGCQOH-IRXDYDNUSA-N	351.403	0.576	50	1	FCGF	
N#CC1=C2CCCN2[C@@](O)(N2CCOCC2)[C@@H]1NC(=O)c1ccccc1	169305889	AHGZIGJOVNJVDD-MJGOQNOKSA-N	354.410	0.650	50	1	FCGF	
CN(Cc1nc2ccc(C(=O)NN)cc2[nH]1)S(=O)(=O)c1cccnc1	586928847	LMMSRJWLYRIMON-UHFFFAOYSA-N	360.399	0.382	50	1	FCGF	
CC(=O)OC[C@@H]1O[C@@H](Cl)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	15205545	BYWPSIUIJNAJDV-RYMFRWLXSA-N	366.750	0.308	50	1	FCGF	
COC1=C/C(=C/NNC(=O)C(=O)NC[C@@H]2CCCO2)C=C(Cl)C1=O	13119206	LFNUJEIRAPHSJE-PCYYEKQGSA-N	355.778	0.022	50	3	FCGF	
C[C@@H]1CC[C@H]2[C@@H](C)[C@H](NS(N)(=O)=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4	14175615	DNPSMBPVILXFAX-KDTBHNEXSA-N	362.448	0.988	50	1	FCGF	
COC(=O)N/N=C/c1ccc2c(c1)[n+]([O-])c1cc(C#N)c(N)cc1[n+]2[O-]	101319421	JPYFDAFRUASCON-UFWORHAWSA-N	352.310	0.404	50	1	FCGF	
C=C1C[C@]23C(=O)OC(=O)[C@@H]4[C@@]5(C)CC(=O)C[C@]46[C@H]([C@H]2[C@H](O)[C@H]1C[C@H]36)N(C)C5	238744789	NRVPTPWNYPSGNM-PBNMYXCRSA-N	371.433	0.929	50	1	FCGF	
CC(C)(C)OC(=O)N[C@H](CNC(=O)CI)C(=O)O	26655927	JBIDKMIEDVCTCA-ZCFIWIBFSA-N	372.159	0.516	50	1	FCGF	
O=C(CCl)O[C@@H]1C[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2C(=O)[C@H]1O)[C@@H]34	66075911	HVNYGYZRZBXGIZ-KIMVHHQLSA-N	356.850	0.603	50	1	FCGF	
N=C(N)NCCCCC(=O)NNC(=O)N[C@@H](CC(=O)O)c1ccccc1	13472621	BLJRESKVKZWVMU-LBPRGKRZSA-N	364.406	0.186	50	1	FCGF	
Cc1nc(NS(C)(=O)=O)sc1-c1nc2ccc(C(=O)NN)cc2[nH]1	586951628	RUXVUCZKVQOPLA-UHFFFAOYSA-N	366.428	0.970	50	1	FCGF	
C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(C)=O)[C@@H](O)[C@@](C)(O)[C@@H]1C=C[C@@](C)(OO)[C@H]21	139424468	XNRRIJKBCHCDJI-LWIVGKOBSA-N	354.355	0.192	50	1	FCGF	
COc1cccc([C@@H](CC(=O)N[C@@H](CC(C)C)B(O)O)NC(C)=O)c1	195462817	SBARBFDZACEPDD-CVEARBPZSA-N	350.224	0.805	50	1	FCGF	
C[C@H]1CC[C@@H]2[C@@H](OC(=O)[C@]2(O)CBr)[C@]2(C)C(=O)C=C[C@@]12O	96888415	PCVSOKQIMUDYGL-JSKDHCJISA-N	359.216	0.960	50	1	FCGF	
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NCc1cccc(B(O)O)c1	195376660	LSQSIZDVNKGFFI-GOSISDBHSA-N	352.199	0.722	50	3	FCGF	
CC(=O)C1=C(O)/C(=C(\O)Nc2cccc(OCC(=O)O)c2)C(=O)OC1=O	169336538	JJAQAUOVGWRYPX-WYMLVPIESA-N	363.278	0.816	50	1	FCGF	
O=C1C=C/C(=C\NNC(=O)CNC(=O)[C@H]2COc3ccccc3O2)C(O)=C1	15974025	LMYNQZFGHOCXNB-YCABEKBOSA-N	371.349	0.028	50	3	FCGF	
CC(C)Oc1cc(B(O)O)cc([C@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)c1	962916376	DAOGVQSHHJCDFH-FUHWJXTLSA-N	373.189	0.981	50	1	FCGF	
N#CC1=C2CCCN2[C@](O)(N2CCOCC2)[C@H]1NC(=O)c1ccccc1	103209259	AHGZIGJOVNJVDD-PKOBYXMFSA-N	354.410	0.650	50	1	FCGF	
CCOC(=O)[C@H](C(=O)O)[n+]1cccc(C(=O)N/N=C/c2ccccc2O)c1	40864427	OJNKVBMAEHQSEP-HNNXBMFYSA-O	372.357	0.632	50	1	FCGF	
CCCCN=c1nc(OC)[nH]c([N+]23CC[N+](CCCl)(CC2)CC3)n1	1857765870	TUEIJZGIMNGCSD-UHFFFAOYSA-N	356.902	0.904	50	1	FCGF	
CC(=O)O[C@H]1C=CC=C2C[C@@]34SS[C@@](CO)(C(=O)N3[C@H]21)N(C)C4=O	2356705702	ANMNRGVATKMYOR-JLUCKKNBSA-N	368.436	0.267	50	1	FCGF	
Cc1cccc(OCC(=O)NCC(=O)NN/C=C2\C=CC(=O)C=C2O)c1	13119304	XXHBTAWSJFZFJP-UKTHLTGXSA-N	357.366	0.576	50	3	FCGF	
C=C(C)C(=O)O[C@@H]1[C@@H]2OC(=O)C(=C)[C@@H]2[C@@H](O)[C@@H](C(=C)C=O)[C@]1(C)[C@H]1CO1	238744466	DFMDMXNOBWIBEJ-QHIMXNGFSA-N	362.378	0.723	50	1	FCGF	
O=C(N/N=C/c1ccccn1)c1cccc(S(=O)(=O)N2CCOCC2)c1	6476937	IMWSTKRMQQGCRC-CPNJWEJPSA-N	374.422	0.866	50	1	FCGF	
CC(=O)Nc1cc(N)cc(N/C(O)=C2\C(=O)OC(=O)C(C(C)=O)=C2O)c1	169336172	AMDPEOQXBFORHI-WYMLVPIESA-N	361.310	0.893	50	1	FCGF	
NC(=O)COc1ccccc1/C=N/NC(=O)CCCCCC(=O)NO	95808279	SJEDHDVJPVLJMW-VCHYOVAHSA-N	350.375	0.457	50	1	FCGF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O)[C@H](OC(C)=O)[C@](C)(O)[C@@H]1C=C[C@@](C)(OO)[C@H]21	2356421614	OQNCVYGKABLVLD-JNICBYJISA-N	354.355	0.192	50	1	FCGF	
C[C@H](Cl)C(=O)O[C@H]1C[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2C(=O)[C@@H]1O)[C@@H]34	66065994	BQXYCTIQMQKUMG-MUIZQBCCSA-N	370.877	0.992	50	1	FCGF	
N#CC(C#N)=C1N(CCN2CCCCC2)CCN1CCN1CC[C@@H](O)C1	58528282	CLLYBOQQZBVCTG-GOSISDBHSA-N	358.490	0.415	50	1	FCGF	
CCCc1c(O)ccc2c1O[C@@H]([C@H](Cl)[C@@H](O)[C@H](O)[C@H](O)CO)CC2=O	587462372	PXCCNRIOSLEYSC-IBEHDNSVSA-N	374.817	0.361	50	1	FCGF	
O=C1C=C/C(=C\NNC(=O)CNC(=O)c2ccc3c(c2)OCCO3)C(O)=C1	15973788	QALCNDAIEIQHLB-FMIVXFBMSA-N	371.349	0.273	50	3	FCGF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(C)=O)C[C@](C)(O)[C@]13O[C@@H]1[C@H](Cl)[C@](C)(O)[C@H]23	2356695987	FCQNUSQUNQQROJ-PVRZGWNXSA-N	372.801	0.296	50	1	FCGF	
C[C@@H](Cl)C(=O)Nc1c(C#N)cnn1-c1ccc(S(N)(=O)=O)cc1	1857538991	RLCSMEASWTXBRD-MRVPVSSYSA-N	353.791	0.957	50	1	FCGF	
CN1CCN(Cc2ccc(CNCCN3CCNC3=C(C#N)C#N)o2)CC1	22940282	KDQSNHIQQSQHHK-UHFFFAOYSA-N	369.473	0.281	50	1	FCGF	
CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CCl)[C@H](O)[C@H]3O)c2n1	26732033	GVKNNZQEBBSCRP-LYNPINBMSA-N	365.821	0.808	50	1	FCGF	
C#CCN(N=O)C(=O)NCCC[C@@H](NC(C)=O)C(=O)NCc1ccccc1	5663251	IEQNIIIWMFKPLR-MRXNPFEDSA-N	373.413	0.914	50	1	FCGF	
CS(=O)(=O)OCCN1[C@@H](OO)CCO[P@@]1(=O)NCCCl	169319575	JMNAXGGBZNWMSN-RLBGWGEZSA-N	352.733	0.437	50	1	FCGF	
CC(=O)O[C@H]1C=CC=C2C[C@@]34SS[C@@](CO)(C(=O)N3[C@@H]21)N(C)C4=O	2356705701	ANMNRGVATKMYOR-GVARAGBVSA-N	368.436	0.267	50	1	FCGF	
N#CC1=C2CCCN2[C@@](O)(N2CCOCC2)[C@H]1NC(=O)c1ccccc1	299846024	AHGZIGJOVNJVDD-HKUYNNGSSA-N	354.410	0.650	50	1	FCGF	
CCC[C@@H]1[C@@H]2C(=O)OC(=O)[C@@]23CC[C@@]12C(=O)OC(=O)[C@@H]2C[C@H](C)[C@@H]3O	2356588013	FQGPVVLWZKYVBX-ZOWAWANGSA-N	350.367	0.969	50	1	FCGF	
COC1=CC(=CNNC(=O)[C@H]2COc3ccccc3O2)C=C(OC)C1=O	13564501	WQASLWUWLIUJMV-MRXNPFEDSA-N	358.350	0.974	50	3	FCGF	
O=C(N/N=C/c1cccc(O)c1O)C(=O)N/N=C/c1cccc(O)c1O	64553468	DYQXVZSFENWRFS-ZEELXFFVSA-N	358.310	0.109	50	1	FCGF	
CN[C@@H](C)C(=O)N[C@H]1CCCCN(CC(=O)NNc2ccccc2)C1=O	64658258	MQVBELLYQQEDIQ-ZFWWWQNUSA-N	361.446	0.235	50	1	FCGF	
C[C@H](N)C(=O)N[C@@H]1[C@@H]2C[C@H](O)CC(O)=C2C(=O)O[C@]1(C)C(Cl)Cl	105556897	JSRXKUDJDNEKAW-NTQPJNNGSA-N	367.229	0.521	50	1	FCGF	
CC1=C[C@H]2O[C@@H]3[C@H](O)[C@@H](OC(=O)CCl)[C@](C)([C@@]2(CO)CC1)[C@@]31CO1	27656022	NKCJHBQJGPSCTL-SERJUKPJSA-N	358.818	0.773	50	1	FCGF	
CCCc1c(C(=O)NNC(C)=C2C=CC(=O)C=C2)nnn1-c1nonc1N	15885027	DUUPSKHIYJPBCC-UHFFFAOYSA-N	370.373	0.389	50	3	FCGF	
C=C(CCC=C(C)C=O)CCO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1OC(C)=O	2356658019	BJNGJUDLULXJAZ-MDMSPXHWSA-N	372.414	0.245	50	1	FCGF	
COc1ccccc1OC1=CNN/C1=C1\C=CC(OCC(=O)NN)=CC1=O	100493509	NAMHRMPTJVLIOZ-LDADJPATSA-N	370.365	0.307	50	3	FCGF	
NNC(=O)[C@H]1CCC(=O)N1S(=O)(=O)c1ccc(Cl)c(Cl)c1	27209011	BQVXAISIUZDLNV-SECBINFHSA-N	352.199	0.663	50	1	FCGF	
CCn1c(O)c(C(C)=NNC(=O)CCC(=O)NN)c(=O)c2ccccc21	2356838673	MBYLLJFCDFCCRC-UHFFFAOYSA-N	359.386	0.337	50	1	FCGF	
CC1=C[C@H]2O[C@@H]3[C@H](O)[C@@H](O)[C@](C)([C@]2(COC(=O)CCl)CC1)[C@@]31CO1	5493149	QPVVAWSGXBERRH-MHJIHGNTSA-N	358.818	0.773	50	1	FCGF	
CCc1cn([C@@H]2C[C@@H](I)[C@@H](CO)O2)c(=O)[nH]c1=O	27709324	CAYKSEIJSFVTJG-HLTSFMKQSA-N	366.155	0.182	50	1	FCGF	
CC(=O)NNS(=O)(=O)c1ccc2nc(-c3c(N)n[nH]c3C)sc2c1	653671227	NZMNHEDTRJETPO-UHFFFAOYSA-N	366.428	0.906	50	1	FCGF	
COC1=CC([N+](=O)[O-])=C/C(=C\NNC(=O)CSc2ccccn2)C1=O	13122632	IIONFPLHSPYBSJ-CSKARUKUSA-N	362.367	0.952	50	3	FCGF	
CCOC(=O)[C@@H](C(=O)O)N1C=CCC(C(=O)N/N=C/c2ccccc2O)=C1	100086984	DHBQVPHYJFDACN-GDXCHIGESA-N	373.365	0.962	50	1	FCGF	
C=C(C)C(=O)O[C@@H]1[C@H]2C(=C)C(=O)O[C@H]2[C@@H](O)[C@@](C)([C@H]2CO2)[C@@H]1C(=C)C=O	238780119	XBEWYBVLFVBNQU-QHIMXNGFSA-N	362.378	0.723	50	1	FCGF	
COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2O[C@H]1[C@H](Br)[C@H]2Br	256067567	YCJUEHAUUDTAAS-JKVYXWIHSA-N	372.009	0.873	50	3	FCGF	
O=C(CCl)O[C@@H]1C[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2C(=O)[C@@H]1O)[C@@H]34	66075914	HVNYGYZRZBXGIZ-NPGPMHRQSA-N	356.850	0.603	50	1	FCGF	
CCc1cn([C@H]2C[C@H](I)[C@@H](CO)O2)c(=O)[nH]c1=O	6425434	CAYKSEIJSFVTJG-DJLDLDEBSA-N	366.155	0.182	50	1	FCGF	
CC(=O)OC[C@H](O[C@@H](CCl)COC(C)=O)n1cnc2c(N)ncnc21	28105745	AQOJLXVXHSYTDD-QWRGUYRKSA-N	371.781	0.657	50	1	FCGF	
CC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)N[C@H](C(=O)O)C(C)C	13491217	CSNSHJFCMWBCQA-KBPBESRZSA-N	364.402	0.173	50	1	FCGF	
O=C(CCl)N[C@H]1[C@@H](SC2CCCCC2)O[C@H](CO)[C@@H](O)[C@@H]1O	49112280	SLXZWROLCLUXIS-DKTYCGPESA-N	353.868	0.215	50	1	FCGF	
CC1=C(NCC(=O)N[C@@H](CC(C)C)B(O)O)C(=O)c2ccccc2C1=O	1772640545	JEDQQUKOQSPVGH-AWEZNQCLSA-N	358.203	0.472	50	1	FCGF	
CNS(=O)(=O)c1ccc(CCc2nc3ccc(C(=O)NN)cc3[nH]2)cc1	586946763	OWPAYKYQCFKGFU-UHFFFAOYSA-N	373.438	0.860	50	1	FCGF	
CC1(CC(=O)NN/C=C2\C=C(Br)C(O)=CC2=O)OCCO1	13130526	AWFBYXBWPRLZRK-BQYQJAHWSA-N	359.176	0.948	50	3	FCGF	
O=C(O)[C@@H]1[C@H](C(=O)O)[C@H]2C[C@H]1[C@H](N1C(=O)CCC1=O)[C@@H]2Br	102917497	DGUWCGCSFBDQTL-UYLCGVCGSA-N	360.160	0.319	50	1	FCGF	
Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O	196455256	ZJRRJBUBDBSBRI-HKUMRIAESA-N	372.494	0.486	50	1	FCGF	
CN(CCOS(C)(=O)=O)[P@]1(=O)OCC[C@@H](OO)N1CCCl	169319562	FFHODLOFGRTFFL-YBYGRFCBSA-N	366.760	0.779	50	1	FCGF	
COc1cc2c(cc1OC)[C@@H](C(CO)CO)N(C[C@@H](O)CCl)CC2	254216532	JTYIVAVNPJVXGA-SUMWQHHRSA-N	359.850	0.804	50	1	FCGF	
C=C(C)C(=O)O[C@@H]1[C@H](O)C(C=O)=CCCC(CO)=C[C@@H]2OC(=O)C(=C)[C@H]21	2356518152	HQPSNGXRJBMMAL-HZMVEIRTSA-N	362.378	0.771	50	1	FCGF	
O=C1C=CC(=C2NN=C(SCC(=O)NNC(=O)c3ccncc3)O2)C=C1	104391550	SWTFZHIFYKRWRP-UHFFFAOYSA-N	371.378	0.373	50	3	FCGF	
CN1CC[C@]23c4c5ccc(O)c4O[C@H]2/C(=N\NC(N)=O)CC[C@@]3(O)[C@H]1C5	28232475	QEDIUYOQWLETJX-WQNDOJBJSA-N	358.398	0.200	50	1	FCGF	
O=C(N/N=C/c1cc(O)c(O)c(O)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	261182834	WLMOQQYMZVIMHV-FRKPEAEDSA-N	360.282	0.800	50	1	FCGF	
CN[C@H](C)C(=O)N[C@H](C(=O)N[C@H](C)C(=O)NNc1ccccc1)C(C)C	61925522	MDQJPRMMNJMTSA-NFAWXSAZSA-N	363.462	0.383	50	3	FCGF	
COc1cccc(OC2=CNN/C2=C2\C=CC(OCC(=O)NN)=CC2=O)c1	103658572	PTLQXOYTVCKTFS-NBVRZTHBSA-N	370.365	0.307	50	3	FCGF	
CO[C@H]1C(=O)N2C(C(=O)OC(C)(C)C)=C(CCl)CS(=O)(=O)[C@H]12	26572366	BSHHBVCILYRRFB-GXSJLCMTSA-N	351.808	0.433	50	1	FCGF	
CC(C)(NC(=O)OCc1ccccc1)c1nc(C(=O)NN)c(O)c(=O)[nH]1	95561326	LPMWWCXJNZGVRH-UHFFFAOYSA-N	361.358	0.241	50	1	FCGF	
Cc1cc2c(cc1O)[C@](C)(c1ccc(B(O)O)cc1F)N[C@H](C(=O)O)C2	963513125	YTVNWRMTRAWOTH-YJBOKZPZSA-N	359.162	0.382	50	1	FCGF	
C=C(C)C(=O)O[C@H]1[C@H]2C(=C)C(=O)O[C@H]2C=C(CO)CCC=C(C=O)[C@H]1O	2356518153	HQPSNGXRJBMMAL-NXOAAHMSSA-N	362.378	0.771	50	1	FCGF	
CC(=O)OCC1=CC(=O)[C@]2([C@@H](C=C(C)C=CC=O)OC(C)=O)O[C@@H]2C1=O	2356658453	SVNKMLNHRUIBIV-KBAYOESNSA-N	362.334	0.398	50	1	FCGF	
COC1=C/C(=C/NNC(=O)C(=O)NCc2ccco2)C=C(Cl)C1=O	15952530	CMEOZRPQZLGNPQ-VQHVLOKHSA-N	351.746	0.636	50	3	FCGF	
CC[C@@H](NC(=O)c1ccnc2ccccc12)C(=O)N1CCC[C@H]1B(O)O	170184725	DDSNGWWAXQJNCU-ZBFHGGJFSA-N	355.203	0.746	50	1	FCGF	
CN[C@H](C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)NNc1ccccc1)C(C)C	61925520	MDQJPRMMNJMTSA-IPYPFGDCSA-N	363.462	0.383	50	3	FCGF	
CO[C@@H](CCNC(=O)N(CCCl)N=O)n1c(=O)[nH]cc(F)c1=O	13908674	LJVORMKSLRUMSS-QMMMGPOBSA-N	351.722	0.143	50	1	FCGF	
CC(=O)C=Cc1ccc(O)c(OO[C@@H]2C[C@](O)(C(=O)O)C[C@H](O)[C@H]2O)c1	2356633048	MXPAGBFCWKAUJY-CRNXPOROSA-N	368.338	0.005	50	1	FCGF	
CCN1C(=O)C(=NNC(=O)c2ccc(S(N)(=O)=O)cc2)c2ccccc21	1857775054	RNSCGLDWKZEQIZ-UHFFFAOYSA-N	372.406	0.835	50	1	FCGF	
CS[C@@H](CNC(=O)N(CCCl)N=O)n1cc(F)c(=O)[nH]c1=O	6019790	PDHDKLAKLKCEPQ-ZETCQYMHSA-N	353.763	0.469	50	1	FCGF	
C[C@H](Cl)[C@]1(c2c(N)n(C)c(=O)n(C)c2=O)NCCc2ccc(O)cc21	963354729	ZDMLSACNCWXTMS-XYZCENFISA-N	364.833	0.388	50	1	FCGF	
CC(=O)OCC1=CC(=O)[C@]2([C@H](C=C(C)C=CC=O)OC(C)=O)O[C@@H]2C1=O	2356658452	SVNKMLNHRUIBIV-CGTJXYLNSA-N	362.334	0.398	50	1	FCGF	
COc1ccc(OC2=CNN/C2=C2\C=CC(OCC(=O)NN)=CC2=O)cc1	103657535	XFYKZUDWZKSRBR-NBVRZTHBSA-N	370.365	0.307	50	3	FCGF	
CC(=O)OCCC(=O)[C@@H]1[C@@H]2CC[C@H](C)[C@H](O)[C@@H]2[C@H](Cl)[C@@H](O)[C@]1(C)O	2356820649	FNAXQILHVJSNQO-CFBVDIMSSA-N	362.850	0.881	50	1	FCGF	
C=C1[C@H](OCC)O[C@H](OCC)[C@@H]2[C@]1(O)C[C@@H](OC(C)=O)[C@@]2(O)CCl	2356495951	MQENMLFELYIZMQ-ODICJLLRSA-N	364.822	0.951	50	1	FCGF	
CCC[C@@H]1[C@@H]2C(=O)OC(=O)[C@@]23CC[C@@]12C(=O)OC(=O)[C@@H]2C[C@@H](C)[C@@H]3O	2356588010	FQGPVVLWZKYVBX-NQIFDLCHSA-N	350.367	0.969	50	1	FCGF	
O=C(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](Cl)[C@H]1O)c1ccccc1	5098027	RYHDUKPCPIZKRV-VZZFWQQMSA-N	366.757	0.259	50	1	FCGF	
C[C@H](Cl)[C@@]1(c2c(N)n(C)c(=O)n(C)c2=O)NCCc2ccc(O)cc21	963354726	ZDMLSACNCWXTMS-HUTHGQBESA-N	364.833	0.388	50	1	FCGF	
CCn1c(N)c([C@]2(CCl)NCCc3nc4ccccn4c32)c(O)nc1=O	962988077	WSXAJICRVUCOKV-KRWDZBQOSA-N	374.832	0.827	50	1	FCGF	
O=C(CBr)NCCc1nc2cc3c(cc2[nH]1)OCC(=O)N3	586970742	FPEJZEBCIHDOOQ-UHFFFAOYSA-N	353.176	0.947	50	1	FCGF	
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NCc1cccc(B(O)O)c1	195424051	LSQSIZDVNKGFFI-SFHVURJKSA-N	352.199	0.722	50	3	FCGF	
CN(C)c1ccc(/C=N/NC(=O)C2C=CN(C(C(=O)O)C(=O)O)C=C2)cc1	100086979	BMIAGIRQXXQPSE-YBFXNURJSA-N	372.381	0.700	50	1	FCGF	
C[C@H](Cl)C(=O)Nc1c(C#N)cnn1-c1ccc(S(N)(=O)=O)cc1	1857538992	RLCSMEASWTXBRD-QMMMGPOBSA-N	353.791	0.957	50	1	FCGF	
Nn1c(Cc2cccs2)nn(CC(=O)N/N=C/c2ccccc2)c1=O	299829998	NKBJQOJVLRUNNV-VCHYOVAHSA-N	356.411	0.561	50	1	FCGF	
CC(C)(C)c1ccc(S(=O)(=O)NNC(=O)[C@@H](N)Cc2c[nH]cn2)cc1	40914405	JZQSJPFIRNPORQ-AWEZNQCLSA-N	365.459	0.587	50	1	FCGF	
N#C/C=C/C1=C(C(=O)O)N2C(=O)/C(=C/c3ccccn3)[C@@H]2S(=O)(=O)C1	36187714	ITJYYTDFHUHVOA-QDKHTDKASA-N	357.347	0.480	50	1	FCGF	
C[C@@H](Cl)C(=O)O[C@@H]1C[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2C(=O)[C@@H]1O)[C@@H]34	66065993	BQXYCTIQMQKUMG-MFYZAHMOSA-N	370.877	0.992	50	1	FCGF	
Nc1cccc(-c2cn(C[C@H](NC(=O)Cc3ccccc3)B(O)O)nn2)c1	473132039	QNBBWNKYFOUFRG-KRWDZBQOSA-N	365.202	0.267	50	1	FCGF	
COc1ccc(B(O)O)c(CN2CCN(C(=O)OC(C)(C)C)CC2)c1	195343562	YKHOFXGURUDVQY-UHFFFAOYSA-N	350.224	0.428	50	3	FCGF	
N#CC(C#N)=C1NCCN1CCNCc1ccc(CN2CCOCC2)o1	13825582	NHGBGMKXMPIVTG-UHFFFAOYSA-N	356.430	0.365	50	1	FCGF	
COc1cc2c(cc1OC)[C@H](C(CO)CO)N(C[C@H](O)CCl)CC2	1632149	JTYIVAVNPJVXGA-DYVFJYSZSA-N	359.850	0.804	50	1	FCGF	
CCC[C@@H]1[C@@H]2C(=O)OC(=O)[C@@]23CC[C@@]12C(=O)OC(=O)[C@@H]2C[C@@H](C)[C@H]3O	2356588012	FQGPVVLWZKYVBX-SCKPCBFKSA-N	350.367	0.969	50	1	FCGF	
CC1=C[C@H]2O[C@H]3[C@H](OC(=O)CCl)[C@@H](O)[C@@](C)([C@]34CO4)[C@@]2(CO)CC1	101328279	YIRDHPXSVXAEAC-CSLHBSPDSA-N	358.818	0.773	50	1	FCGF	
C=C(C)C(=O)O[C@@H]1[C@H](O)C(C=O)=CCCC(CO)=C[C@H]2OC(=O)C(=C)[C@@H]12	2356518154	HQPSNGXRJBMMAL-VQHPVUNQSA-N	362.378	0.771	50	1	FCGF	
CC(=O)O[C@@H]1C[C@](C)(O)[C@]23O[C@@H]2[C@H](Cl)[C@](C)(O)[C@@H]3[C@@H]2OC(=O)[C@@H](C)[C@H]12	2356397396	CGAKJWNQAYBPPE-XNYJCJTCSA-N	374.817	0.376	50	1	FCGF	
CO[C@H](CCNC(=O)N(CCCl)N=O)n1c(=O)[nH]cc(F)c1=O	3825206	LJVORMKSLRUMSS-MRVPVSSYSA-N	351.722	0.143	50	1	FCGF	
O=C(OC[C@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@@H](Cl)[C@H]1O)c1ccccc1	13143835	RYHDUKPCPIZKRV-SAXRGWBVSA-N	366.757	0.259	50	1	FCGF	
C=C(C=O)[C@@H]1C[C@H](OC(=O)C=Cc2ccc(O)cc2)[C@]2(O)CO[C@H](O)[C@@H]12	2356443300	HJTBDPQCVMXWMZ-NXJYUQPGSA-N	360.362	0.788	50	1	FCGF	
C=C1C(=O)O[C@H]2[C@H]3[C@@](O)([C@H](Cl)[C@@H]4O[C@]34C)[C@@](C)(O)[C@@H](OC(C)=O)C[C@H]12	2356329762	LJVWEMBASBCCFD-JMZWNRAISA-N	372.801	0.296	50	1	FCGF	
NC(=O)COc1ccccc1/C=N/NC(=O)c1cccc(C(=O)NO)c1	95808782	LRULILMEEWDYPB-DJKKODMXSA-N	356.338	0.434	50	1	FCGF	
Cc1ncc(Cn2nnc(C(=O)N/N=C/c3ccccn3)c2C)c(N)n1	103231842	ORJMWZDJRGFEGP-DNTJNYDQSA-N	351.374	0.474	50	1	FCGF	
O=S(=O)(Nc1cccc(B(O)O)c1)c1ccc(-c2ccon2)s1	169879901	JWUMUTLBJWPDTF-UHFFFAOYSA-N	350.186	0.884	50	1	FCGF	
NC(=O)N/N=C(\N)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1	68248433	QVCYTJJTTCUAKG-UHFFFAOYSA-N	362.357	0.106	50	1	FCGF	
CO[C@H](CCNC(=O)N(CCCl)N=O)n1cc(F)c(=O)[nH]c1=O	29213716	YMFIWXASKNLXEI-MRVPVSSYSA-N	351.722	0.143	50	1	FCGF	
CN1C(=O)[C@@]23Cc4ccc([N+](=O)[O-])cc4N2C(=O)[C@]1(CO)SS3	43019044	VRFJINVAZRAFHH-STQMWFEESA-N	353.381	0.736	50	1	FCGF	in-vivo
CC(=O)OCC1=C(C(=O)C(C)(C)C)N2C(=O)[C@H](Cl)[C@@H]2S(=O)(=O)C1	3934140	WHDUDOMJDZLPDG-ZANVPECISA-N	363.819	0.623	50	1	FCGF	
CS(=O)(=O)N(CCCl)N(C(=O)NCCCCl)S(C)(=O)=O	27893630	MYCIIUATQIHYNI-UHFFFAOYSA-N	370.280	0.002	50	1	FCGF	
O=C(Nc1ccc(F)cc1)c1cnc(=NCc2ccc(B(O)O)cc2)[nH]c1	472892168	QXTSCUBGBAJGQX-UHFFFAOYSA-N	366.161	0.582	50	1	FCGF	
C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)[C@H](O)[C@@H](OC(=O)C(C)C)[C@@H]12	2356523642	ZSZVLNGSSSTMTM-QZWWFDLISA-N	364.394	0.851	50	1	FCGF	
Cc1cn([C@@H]2C[C@H](O)[C@H](CCC(=O)CBr)O2)c(=O)[nH]c1=O	40511643	QGFGTOPSMOZUER-DCAQKATOSA-N	361.192	0.238	50	1	FCGF	
C=C1[C@H](OCC)O[C@H](OCC)[C@H]2[C@@](O)(CCl)[C@@H](OC(C)=O)C[C@]12O	2356495949	MQENMLFELYIZMQ-CIUQCDBWSA-N	364.822	0.951	50	1	FCGF	
CC(C)(C)NC(=O)C(=O)NNC(=O)COc1ccc(Br)cc1	3118040	ZCHHLGHWXDWTDU-UHFFFAOYSA-N	372.219	0.890	50	3	FCGF	
O=C(N[C@@H](Cc1ccccc1)B(O)O)[C@@H](CS)NCc1ccccc1	1857560392	BUZSQQWFRAWZOA-SJORKVTESA-N	358.272	0.814	50	1	FCGF	
Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NNC(=O)CO[N+](=O)[O-])O2	28876853	MUHRASLHYBGKDH-INIZCTEOSA-N	367.358	0.757	50	1	FCGF	
CC(=O)OC[C@@]12SS[C@]3(CC4=CC=C[C@H](O)[C@H]4N3C1=O)C(=O)N2C	238767728	QLYAMRRLJDIHHT-UOVKNHIHSA-N	368.436	0.267	50	1	FCGF	
C[C@H](Cl)C(=O)O[C@H]1C[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2C(=O)[C@H]1O)[C@@H]34	254015000	BQXYCTIQMQKUMG-BLUOMHMPSA-N	370.877	0.992	50	1	FCGF	
C=CCNC(=S)NNC(=O)c1nnn(Cc2ccc(Cl)cc2)c1N	957880326	GFEXSXSMOQBDII-UHFFFAOYSA-N	365.850	0.857	50	1	FCGF	
C=CCSSc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O	40916063	UPMVDGSUFKTPMZ-PYSAPBNWSA-N	356.429	0.364	50	1	FCGF	
Cc1cc(B(O)O)cc([C@H]2N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)c1F	963508592	KNOZWZQNKWREHS-SUMWQHHRSA-N	359.162	0.516	50	1	FCGF	
N=C(N)NCCC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)B(O)O	170115987	VOZOROWVUKXIAL-INIZCTEOSA-N	354.219	0.727	50	1	FCGF	
CCOC(=O)[C@H](C(=O)O)N1C=CC(C(=O)N/N=C/c2ccccc2O)C=C1	100086952	OMZLBEWXMRKYLB-BKQORJHRSA-N	373.365	0.818	50	1	FCGF	
C[C@H](Cl)C(=O)O[C@@H]1C[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2C(=O)[C@@H]1O)[C@@H]34	66065992	BQXYCTIQMQKUMG-RVWUJTDLSA-N	370.877	0.992	50	1	FCGF	
COC(=O)c1cc(NC(=O)CBr)cc(C(=O)NC(N)=O)c1	40848842	KKQJWALEBWHRKQ-UHFFFAOYSA-N	358.148	0.615	50	1	FCGF	
Nc1cccc(-c2cn(C[C@H](NC(=O)Cc3cccs3)B(O)O)nn2)c1	205341704	XHDDNBKGPAEKIK-HNNXBMFYSA-N	371.231	0.328	50	1	FCGF	
CN(C)C(=O)c1ccc2c(c1)[C@@H](c1ccc(Cl)cc1B(O)O)NCC2	962921870	FLXSQDPGTCQGIW-QGZVFWFLSA-N	358.634	0.957	50	1	FCGF	
C=C1C(=O)O[C@@H]2[C@H]3[C@](C)(O)[C@@H](Cl)[C@@H]4O[C@]34[C@](C)(O)C[C@H](OC(C)=O)[C@@H]12	238746907	FCQNUSQUNQQROJ-FMAAQMMISA-N	372.801	0.296	50	1	FCGF	
N=C(CCl)NCCC[C@H](NC(=O)c1ccccc1C(=O)O)C(N)=O	73242999	VUCFCRGOVAAFJN-NSHDSACASA-N	354.794	0.554	50	1	FCGF	in-vitro
O=C(Cc1ccccc1)N[C@@H](Cn1cc(-c2ccccc2)nn1)B(O)O	473132060	QOTDYYRQJSNJQJ-KRWDZBQOSA-N	350.187	0.685	50	1	FCGF	
C/C(N)=C(/C#N)C(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O	6157445	YKNPSSBNWPENQL-NRMKIYEFSA-N	351.366	0.956	50	3	FCGF	
O=C(OC[C@@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](Cl)[C@H]1O)c1ccccc1	2454974	RYHDUKPCPIZKRV-DOERSZECSA-N	366.757	0.259	50	1	FCGF	
N[C@@H](Cc1c[nH]cn1)C(=O)NNS(=O)(=O)c1ccc2ccccc2c1	40938710	ZINILSMVBBFIHF-HNNXBMFYSA-N	359.411	0.442	50	1	FCGF	
O=C(Cc1cccs1)N[C@@H](Cn1cc(-c2ccccc2)nn1)B(O)O	205341655	RMCDOIPZMLAQDA-HNNXBMFYSA-N	356.216	0.746	50	1	FCGF	
COCCOCCOCCOC(=O)CN1C(=O)[C@@]2(C)C=C[C@@]1(C)OO2	103254290	MUKAHOJDUAAGGM-HZPDHXFCSA-N	359.375	0.044	50	1	FCGF	
C=C(C)C(=O)O[C@@H]1[C@@H]2OC(=O)C(=C)[C@H]2[C@@H](O)[C@@H](C(=C)C=O)[C@]1(C)[C@@H]1CO1	523041692	DFMDMXNOBWIBEJ-QJRSUXNHSA-N	362.378	0.723	50	1	FCGF	biogenic
N[C@@H](C(=O)N[C@H](C=O)[C@H]1CC[C@@H](Cl)C(C(=O)O)=N1)c1ccccc1	15529317	DRTWKGBDHBOYMS-FDYHWXHSSA-N	351.790	0.666	50	1	FCGF	in-vitro
O=C(OC[C@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](Cl)[C@@H]1O)c1ccccc1	13143834	RYHDUKPCPIZKRV-ZRJCITRHSA-N	366.757	0.259	50	1	FCGF	
N#CC1=C(N)N2CCCNC2=C([N+](=O)[O-])[C@@]12C(=O)Nc1ccc(F)cc12	653703982	WZWFOPHCKXYHRB-INIZCTEOSA-N	356.317	0.464	50	1	FCGF