smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CS[C@@H]1O[C@@H]([C@@H](NC(=O)c2cccnc2)[C@@H](C)Cl)[C@@H](O)[C@@H](O)[C@@H]1O	26287281	OWAIJEJRNSHMDC-WQJPYSSJSA-N	376.862	-0.022	50	1	GBGF	
CS[C@@H]1O[C@H]([C@H](NC(=O)c2cccnc2)[C@H](C)Cl)[C@H](O)[C@H](O)[C@@H]1O	40685339	OWAIJEJRNSHMDC-ZJLICITRSA-N	376.862	-0.022	50	1	GBGF	
CNC(=O)[C@@H](NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(C)C	13491222	MFQBDBBPHYHDNA-GJZGRUSLSA-N	377.445	-0.165	50	1	GBGF	
Cc1cn([C@@H]2C[C@@H](NC(=O)N(CCCl)N=O)[C@@H](CO)O2)c(=O)[nH]c1=O	27989689	VFSVPIANOGHWHL-BBBLOLIVSA-N	375.769	-0.575	50	1	GBGF	
Cc1ccc(C(=O)NNC(=O)C2(C(=O)N[C@H]3CC(=O)O[C@@H]3O)CCC2)cc1	36092963	URBCBEUOQKQHNA-WFASDCNBSA-N	375.381	-0.324	50	1	GBGF	
N#CCC(=O)NN=C1C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc21	1857764228	WPPDHWSWHZDVQN-UHFFFAOYSA-N	377.382	-0.606	50	1	GBGF	
CS[C@@H]1O[C@@H]([C@@H](NC(=O)[C@H]2NCCC[C@@H]2C)[C@@H](C)Cl)[C@@H](O)[C@@H](O)[C@@H]1O	26293904	IPLAJADNEDKPLF-QLOIWVFASA-N	396.937	-0.343	50	1	GBGF	
CS[C@@H]1O[C@H]([C@H](NC(=O)c2cccnc2)[C@H](C)Cl)[C@H](O)[C@H](O)[C@H]1O	253703358	OWAIJEJRNSHMDC-OBYRTEHSSA-N	376.862	-0.022	50	1	GBGF	
CC(C)=C(C#N)C(=O)OC[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)COC(=O)C(C#N)=C(C)C	2356605268	ZPYVMODLBJODJQ-VGWMRTNUSA-N	396.396	-0.764	50	1	GBGF	
CS[C@@H]1O[C@H]([C@@H](NC(=O)[C@@H]2CCCNC2)[C@@H](C)Cl)[C@@H](O)[C@@H](O)[C@@H]1O	26288237	DYRNLZWHQCNVJP-OYLYBDTQSA-N	382.910	-0.731	50	1	GBGF	
NNC(=O)[C@H](CC(=O)n1ncc2ccc(Cl)cc2c1=O)N1CCOCC1	587653741	FTSLIUYMKMTDDR-ZDUSSCGKSA-N	379.804	-0.229	50	1	GBGF	
CCOC(=O)[C@H](C)NC(=O)N(N(CCCl)S(C)(=O)=O)S(C)(=O)=O	27886122	MWJMPRACFHXGKW-QMMMGPOBSA-N	393.871	-0.675	50	1	GBGF	
CS[C@@H]1O[C@H]([C@H](NC(=O)[C@H]2NCCC[C@@H]2C)[C@H](C)Cl)[C@H](O)[C@@H](O)[C@@H]1O	299804600	IPLAJADNEDKPLF-APAAKAHZSA-N	396.937	-0.343	50	1	GBGF	
CS[C@@H]1O[C@H]([C@H](NC(=O)c2cccnc2)[C@H](C)Cl)[C@H](O)[C@@H](O)[C@@H]1O	253703356	OWAIJEJRNSHMDC-GSLCGWKGSA-N	376.862	-0.022	50	1	GBGF	
CS[C@@H]1O[C@@H]([C@@H](NC(=O)[C@H]2CCCCCN2)[C@@H](C)Cl)[C@@H](O)[C@@H](O)[C@@H]1O	26286957	ASHMFMVNXDZCCZ-FJXPWGHJSA-N	396.937	-0.199	50	1	GBGF	
Cc1ccccc1C(=O)NNC(=O)C1(C(=O)N[C@H]2CC(=O)O[C@@H]2O)CCC1	36092969	ZSOPKWJQJKUHFH-WFASDCNBSA-N	375.381	-0.324	50	1	GBGF	
CS[C@H]1O[C@H]([C@@H](NC(=O)C2CCNCC2)[C@@H](C)Cl)[C@H](O)[C@H](O)[C@H]1O	95553815	NPHZKBZJEXIBOF-HWXIDXPUSA-N	382.910	-0.731	50	1	GBGF	
Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=O)[C@@H](C)Br)O2)c(=O)[nH]c1=O	169365998	MIWBGFKKBYZESR-RGOKHQFPSA-N	376.207	-0.607	50	1	GBGF	
Cc1cn([C@@H]2C[C@H](O)[C@H](CNC(=O)[C@H](C)Br)O2)c(=O)nc1O	253687855	MIWBGFKKBYZESR-XKNYDFJKSA-N	376.207	-0.195	50	1	GBGF	
CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)NNc1ccccc1)[C@H](C)O)C(C)C	64654120	YOBWRFPWSISANW-SDADXPQNSA-N	393.488	-0.256	50	1	GBGF	
Cc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)[C@H](C)Br)O2)c(=O)[nH]c1=O	25998831	MIWBGFKKBYZESR-AXTSPUMRSA-N	376.207	-0.607	50	1	GBGF	
CS[C@@H]1O[C@H]([C@@H](NC(=O)[C@H]2CCCNC2)[C@@H](C)Cl)[C@@H](O)[C@@H](O)[C@@H]1O	26291009	DYRNLZWHQCNVJP-IGSLCTNXSA-N	382.910	-0.731	50	1	GBGF	
NNC(=O)[C@@H](O)[C@H](O)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	587659174	YOLIGUHMHMQBEU-GJZGRUSLSA-N	386.339	-0.446	50	1	GBGF	
C[C@H](N)C(=O)N[C@H]1[C@@H]2C(=C(O)O[C@@]1(C)C(Cl)Cl)C(=O)C[C@@H](O)[C@@H]2O	169334743	BCAFUXAHPDIYFI-VGIQDEEPSA-N	383.228	-0.509	50	1	GBGF	
COc1cc(/C=N/NC(=O)C(=O)NCCCN2CCOCC2)cc(OC)c1O	1857615465	LTZWEUOCRYYXRT-UDWIEESQSA-N	394.428	-0.302	50	1	GBGF	
CS[C@@H]1O[C@H]([C@H](NC(=O)c2ccccn2)[C@H](C)Cl)[C@H](O)[C@@H](O)[C@@H]1O	299810222	NJMDMMWKJNQCNK-GSLCGWKGSA-N	376.862	-0.022	50	1	GBGF	
CS[C@H]1O[C@H]([C@H](NC(=O)C2CCNCC2)[C@@H](C)Cl)[C@H](O)[C@H](O)[C@H]1O	299818147	NPHZKBZJEXIBOF-XNPDFKGTSA-N	382.910	-0.731	50	1	GBGF	
CN(N=O)C(=O)N[C@@H]1[C@@H](CO)O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@@H]1O	169321273	JXKWBXXKWXJRCK-QYYRPYCUSA-N	386.756	-0.996	50	1	GBGF	
C[C@H](CN1c2nc(N)[nH]c(=O)c2N[C@@H]1Br)OCP(=O)(O)O	42920867	AOXUTPPKHNPZPN-VHWMUFPASA-N	384.127	-0.197	50	1	GBGF	
CS[C@H]1O[C@@H]([C@@H](NC(=O)[C@H]2NCCC[C@@H]2C)[C@@H](C)Cl)[C@@H](O)[C@@H](O)[C@@H]1O	26293909	IPLAJADNEDKPLF-JITWJZFBSA-N	396.937	-0.343	50	1	GBGF	
CS[C@H]1O[C@@H]([C@@H](NC(=O)[C@@H]2CCCCN2C)[C@@H](C)Cl)[C@@H](O)[C@@H](O)[C@@H]1O	26291575	IMWYOVWCWJXTBN-RWQOYFMZSA-N	396.937	-0.247	50	1	GBGF	
CS[C@@H]1O[C@H]([C@@H](NC(=O)[C@H]2CCCCN2C)[C@@H](C)Cl)[C@@H](O)[C@@H](O)[C@@H]1O	26375826	IMWYOVWCWJXTBN-JDAUPVHLSA-N	396.937	-0.247	50	1	GBGF	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](O)[C@H](O)C(=O)NN	587861891	DOKILWDVBSMPJK-NWDGAFQWSA-N	388.302	-0.071	50	1	GBGF	
CS[C@H]1O[C@H]([C@@H](NC(=O)[C@H]2CCCNC2)[C@@H](C)Cl)[C@@H](O)[C@@H](O)[C@@H]1O	26291014	DYRNLZWHQCNVJP-ZNVQCEAASA-N	382.910	-0.731	50	1	GBGF	
C=C(CCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1OC(C)=O)C[C@H](O)C=C(C)C=O	2356538424	DCPPWJWOVYBRSD-RFSXOUPVSA-N	388.413	-0.784	50	1	GBGF	
CS[C@@H]1O[C@H]([C@@H](NC(=O)[C@@H]2CCCCN2C)[C@@H](C)Cl)[C@@H](O)[C@@H](O)[C@@H]1O	26291578	IMWYOVWCWJXTBN-WVKXFDFZSA-N	396.937	-0.247	50	1	GBGF	
C[C@@H](N)C(=O)N[C@H]1[C@@H]2C(=C(O)O[C@@]1(C)C(Cl)Cl)C(=O)C[C@@H](O)[C@@H]2O	169334741	BCAFUXAHPDIYFI-WQJHEAEASA-N	383.228	-0.509	50	1	GBGF	
C[C@H](N)C(=O)N[C@H]1[C@H]2C(=C(O)O[C@@]1(C)C(Cl)Cl)C(=O)C[C@H](O)[C@@H]2O	195349509	BCAFUXAHPDIYFI-AWEVDEDSSA-N	383.228	-0.509	50	1	GBGF	
C[C@H](N)C(=O)N[C@@H]1[C@@H]2C(=C(O)O[C@@]1(C)C(Cl)Cl)C(=O)C[C@@H](O)[C@@H]2O	169334737	BCAFUXAHPDIYFI-QVWPRTSISA-N	383.228	-0.509	50	1	GBGF	
CN(CC(=O)O)NC(=O)C[C@H](N)C[C@@H](O)CN[C@H](CCN)c1ccccc1	473136160	NLOURWBZABHPTC-BZUAXINKSA-N	381.477	-0.818	50	1	GBGF	
CS[C@@H]1O[C@H]([C@H](NC(=O)[C@@H]2NCCC[C@@H]2C)[C@H](C)Cl)[C@H](O)[C@H](O)[C@H]1O	253633773	IPLAJADNEDKPLF-XOMCYRABSA-N	396.937	-0.343	50	1	GBGF	
C[C@@H](NC(=O)[C@H](CCCCN)NC(=O)CI)C(=O)O	169325870	GUVXFKXBWKVXLX-SFYZADRCSA-N	385.202	-0.376	50	1	GBGF	
CS[C@@H]1O[C@H]([C@H](NC(=O)[C@H]2CCCCN2C)[C@H](C)Cl)[C@H](O)[C@@H](O)[C@H]1O	253699388	IMWYOVWCWJXTBN-URAYFCKASA-N	396.937	-0.247	50	1	GBGF	
Cc1ccccc1CNc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NN)[C@@H](O)[C@H]1O	70460332	FCSCDOVNNDCDKF-MOROJQBDSA-N	399.411	-0.644	50	1	GBGF	
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccn1)NC(=O)N1CCOCC1)B(O)O	195204600	YAVDSOQSVVFIGK-HOTGVXAUSA-N	392.265	-0.423	50	1	GBGF	
CS[C@H]1O[C@H]([C@@H](NC(=O)[C@H]2CCCCCN2)[C@@H](C)Cl)[C@@H](O)[C@@H](O)[C@@H]1O	26286971	ASHMFMVNXDZCCZ-UQTFRHSQSA-N	396.937	-0.199	50	1	GBGF	
CN1C(=O)C(C(=O)NNC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)C(=O)N(C)C1=O	1772631083	ADOAFAYMDLCZIA-UHFFFAOYSA-N	394.300	-0.880	50	1	GBGF	
CS[C@@H]1O[C@H]([C@H](NC(=O)[C@@H]2CCCCN2)[C@H](C)Cl)[C@H](O)[C@H](O)[C@@H]1O	40442161	VPSCMXLSWNEVDQ-QEUDXGTLSA-N	382.910	-0.589	50	1	GBGF	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](O)[C@@H](O)C(=O)NN	587867489	FZLKMUSKEYNGLT-MNOVXSKESA-N	389.290	-0.676	50	1	GBGF	
CS[C@@H]1O[C@@H]([C@@H](NC(=O)[C@@H]2CCCCCN2)[C@@H](C)Cl)[C@@H](O)[C@@H](O)[C@@H]1O	26291519	ASHMFMVNXDZCCZ-SHHYZJHYSA-N	396.937	-0.199	50	1	GBGF	
C[C@]12OC[C@@]3(C[C@@H]1O)[C@H](O[C@@H]1[C@H](O)[C@@H](O)[C@@]3(C)[C@]13CO3)[C@@H]2Br	100944995	GIQSKXMPIZRLCU-JAXBPVODSA-N	377.231	-0.432	50	1	GBGF	
CC(C)CCOO[C@@H]1C[C@H](CO)[C@H](O)C[C@@H]1O[C@@H]1C[C@H](O)[C@@H](O)[C@H](CO)C1	2356345932	FCQVOJCIINOTRU-RMGBCANISA-N	392.489	-0.010	50	1	GBGF	
CS[C@@H]1O[C@H]([C@H](NC(=O)c2ccncc2)[C@H](C)Cl)[C@H](O)[C@H](O)[C@@H]1O	40818014	GMWCMLPCWOPNBY-ZJLICITRSA-N	376.862	-0.022	50	1	GBGF	
N=c1[nH]c(C(=O)N/N=C/c2cccnc2)nn1-c1ccc(S(N)(=O)=O)cc1	1857562124	XHYYZRSZRDEQAZ-DJKKODMXSA-N	386.397	-0.514	50	1	GBGF	
CS[C@@H]1O[C@H]([C@H](NC(=O)c2ccccn2)[C@H](C)Cl)[C@H](O)[C@H](O)[C@H]1O	299810224	NJMDMMWKJNQCNK-OBYRTEHSSA-N	376.862	-0.022	50	1	GBGF	
CS[C@@H]1O[C@H]([C@H](NC(=O)[C@H]2CCCNC2)[C@H](C)Cl)[C@H](O)[C@H](O)[C@@H]1O	40447372	DYRNLZWHQCNVJP-QEUDXGTLSA-N	382.910	-0.731	50	1	GBGF	
CS[C@H]1O[C@H]([C@@H](NC(=O)c2ccncc2)[C@@H](C)Cl)[C@@H](O)[C@@H](O)[C@@H]1O	26292725	GMWCMLPCWOPNBY-IGMMRKMYSA-N	376.862	-0.022	50	1	GBGF	
CS[C@@H]1O[C@H]([C@H](NC(=O)[C@H]2CCCCCN2)[C@H](C)Cl)[C@H](O)[C@H](O)[C@@H]1O	40447551	ASHMFMVNXDZCCZ-SYRHXFOYSA-N	396.937	-0.199	50	1	GBGF	
Cc1cn([C@@H]2C[C@H](NC(=O)N(CCCl)N=O)[C@@H](CO)O2)c(=O)[nH]c1=O	27989698	VFSVPIANOGHWHL-AEJSXWLSSA-N	375.769	-0.575	50	1	GBGF	
CCOC(=O)N(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O	169337618	UCNUIADSJWLDDC-GVXVVHGQSA-N	399.448	-0.874	50	1	GBGF	
Cc1cn([C@@H]2C[C@@H](NC(=O)N(CCCl)N=O)[C@H](CO)O2)c(=O)[nH]c1=O	40737926	VFSVPIANOGHWHL-UTLUCORTSA-N	375.769	-0.575	50	1	GBGF	
C[C@H](N)C(=O)N[C@@H]1[C@@H]2C(=C(O)O[C@]1(C)C(Cl)Cl)C(=O)C[C@H](O)[C@@H]2O	254010007	BCAFUXAHPDIYFI-FQRMENAESA-N	383.228	-0.509	50	1	GBGF	
Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=O)[C@H](C)Br)O2)c(=O)nc1O	253687846	MIWBGFKKBYZESR-QEYWKRMJSA-N	376.207	-0.195	50	1	GBGF	
CC(C)=C(C#N)C(=O)OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)COC(=O)C(C#N)=C(C)C	2356605267	ZPYVMODLBJODJQ-GEEKYZPCSA-N	396.396	-0.764	50	1	GBGF	
Cc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)CCBr)O2)c(=O)[nH]c1=O	26002250	MZVQXZLVRKJGNO-IQJOONFLSA-N	376.207	-0.605	50	1	GBGF	
C[C@@H](N)C(=O)N[C@@H]1[C@@H]2C(=C(O)O[C@@]1(C)C(Cl)Cl)C(=O)C[C@@H](O)[C@@H]2O	169334733	BCAFUXAHPDIYFI-FPFOKDDCSA-N	383.228	-0.509	50	1	GBGF	
NNC(=O)C[C@@H](C(=O)n1ncc2ccc(Cl)cc2c1=O)N1CCOCC1	587655137	SNMUEINNSYYSJU-ZDUSSCGKSA-N	379.804	-0.229	50	1	GBGF	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccncc2)c1CN1CCCC1	13524596	HFNDRZRVFPWCOA-DJKKODMXSA-N	382.388	-0.013	50	1	GBGF	
CS[C@@H]1O[C@H]([C@H](NC(=O)[C@@H]2NCCC[C@@H]2C)[C@H](C)Cl)[C@H](O)[C@H](O)[C@@H]1O	253633769	IPLAJADNEDKPLF-DLPHEYOESA-N	396.937	-0.343	50	1	GBGF	
CS[C@H]1O[C@H]([C@@H](NC(=O)[C@H]2CCC[C@@H](C)N2)[C@@H](C)Cl)[C@@H](O)[C@@H](O)[C@@H]1O	26296124	XRHWWUFHGMGTQF-ZTXJOVHESA-N	396.937	-0.200	50	1	GBGF	
CS[C@@H]1O[C@H]([C@H](NC(=O)[C@H]2CCC[C@@H](C)N2)[C@H](C)Cl)[C@H](O)[C@H](O)[C@H]1O	253710809	XRHWWUFHGMGTQF-XMTSERPESA-N	396.937	-0.200	50	1	GBGF	
C[C@H](N)C(=O)N[C@@H]1[C@H]2C(=C(O)O[C@]1(C)C(Cl)Cl)C(=O)C[C@@H](O)[C@@H]2O	5734702	BCAFUXAHPDIYFI-RGBMRXMBSA-N	383.228	-0.509	50	1	GBGF	
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccn1)NC(=O)c1cnccn1)B(O)O	195096106	HZEZQDDSTJROQX-HOCLYGCPSA-N	385.233	-0.244	50	1	GBGF	
CS[C@@H]1O[C@H]([C@H](NC(=O)[C@@H]2CCCCN2C)[C@H](C)Cl)[C@H](O)[C@@H](O)[C@@H]1O	299810120	IMWYOVWCWJXTBN-OIHNAWLFSA-N	396.937	-0.247	50	1	GBGF	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](O)[C@@H](O)C(=O)NN	587861885	DOKILWDVBSMPJK-NEPJUHHUSA-N	388.302	-0.071	50	1	GBGF	
CS[C@H]1O[C@H]([C@@H](NC(=O)[C@H]2CCCCN2C)[C@@H](C)Cl)[C@@H](O)[C@@H](O)[C@@H]1O	26375828	IMWYOVWCWJXTBN-UQTFRHSQSA-N	396.937	-0.247	50	1	GBGF	
Cc1cn([C@H]2C[C@@H](O)[C@@H](CNC(=O)N(CCCl)N=O)O2)c(=O)[nH]c1=O	26568309	ZQGCVNXQYNXPDN-OPRDCNLKSA-N	375.769	-0.575	50	1	GBGF	
CS[C@@H]1O[C@H]([C@@H](NC(=O)[C@H]2NCCC[C@@H]2C)[C@@H](C)Cl)[C@@H](O)[C@@H](O)[C@@H]1O	26293914	IPLAJADNEDKPLF-JQWWQNBNSA-N	396.937	-0.343	50	1	GBGF	
Cc1cn([C@@H]2C[C@@H](O)[C@@H](CN(C)C(=O)CBr)O2)c(=O)[nH]c1=O	169365880	HHMWPWFGSOTGIQ-KKZNHRDASA-N	376.207	-0.653	50	1	GBGF	
Cc1cn([C@H]2C[C@@H](O)[C@@H](CN(C)C(=O)CBr)O2)c(=O)[nH]c1=O	169365883	HHMWPWFGSOTGIQ-FXPVBKGRSA-N	376.207	-0.653	50	1	GBGF	
C[C@@H](N)C(=O)N[C@@H]1[C@H]2C(=C(O)O[C@@]1(C)C(Cl)Cl)C(=O)C[C@H](O)[C@@H]2O	195349489	BCAFUXAHPDIYFI-JHRUTIAZSA-N	383.228	-0.509	50	1	GBGF	
CS[C@@H]1O[C@H]([C@H](NC(=O)[C@@H]2CCCCN2C)[C@H](C)Cl)[C@H](O)[C@H](O)[C@@H]1O	40818043	IMWYOVWCWJXTBN-GNJVNEQFSA-N	396.937	-0.247	50	1	GBGF	
Cc1cn([C@H]2C[C@@H](O)[C@@H](CNC(=O)CCBr)O2)c(=O)[nH]c1=O	26002235	MZVQXZLVRKJGNO-FXPVBKGRSA-N	376.207	-0.605	50	1	GBGF	
CS[C@@H]1O[C@H]([C@H](NC(=O)[C@H]2NCCC[C@@H]2C)[C@H](C)Cl)[C@H](O)[C@@H](O)[C@H]1O	299804601	IPLAJADNEDKPLF-DQUVBHDHSA-N	396.937	-0.343	50	1	GBGF	
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N[C@@H](Cc1c[nH]cn1)C(=O)NNS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F	40938897	TURYTYQBUZBQJX-YFKPBYRVSA-N	399.301	-0.015	50	1	GBGF	
CS[C@@H]1O[C@H]([C@H](NC(=O)[C@H]2CCCCN2C)[C@H](C)Cl)[C@H](O)[C@H](O)[C@H]1O	253699381	IMWYOVWCWJXTBN-NNMPBZLOSA-N	396.937	-0.247	50	1	GBGF	
CS[C@@H]1O[C@@H]([C@@H](NC(=O)[C@@H]2CCCCN2)[C@@H](C)Cl)[C@@H](O)[C@@H](O)[C@@H]1O	26293990	VPSCMXLSWNEVDQ-OWGLYMORSA-N	382.910	-0.589	50	1	GBGF	
O=c1[nH]cnc2c([C@H]3O[C@@H](CI)[C@@H](O)[C@@H]3O)c[nH]c12	34802518	FKFBWNDSWWYBKW-VCDKAQMESA-N	377.138	-0.152	50	1	GBGF	
CS[C@@H]1O[C@H]([C@H](NC(=O)[C@H]2CCC[C@@H](C)N2)[C@H](C)Cl)[C@H](O)[C@H](O)[C@@H]1O	253710755	XRHWWUFHGMGTQF-AHNFEELUSA-N	396.937	-0.200	50	1	GBGF	
CS[C@@H]1O[C@H]([C@H](NC(=O)c2cccnc2)[C@H](C)Cl)[C@H](O)[C@@H](O)[C@H]1O	253703357	OWAIJEJRNSHMDC-JDSKEFKBSA-N	376.862	-0.022	50	1	GBGF	
CS[C@@H]1O[C@H]([C@H](NC(=O)[C@@H]2CCCCCN2)[C@H](C)Cl)[C@H](O)[C@@H](O)[C@@H]1O	253634994	ASHMFMVNXDZCCZ-OIHNAWLFSA-N	396.937	-0.199	50	1	GBGF	
CS[C@@H]1O[C@H]([C@H](NC(=O)[C@@H]2CCC[C@H](C)N2)[C@H](C)Cl)[C@H](O)[C@@H](O)[C@@H]1O	253710764	XRHWWUFHGMGTQF-APAAKAHZSA-N	396.937	-0.200	50	1	GBGF	
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CI)[C@@H](O)[C@H]1O	5395347	FUWWLIOFNXNKQR-HGOUYRHRSA-N	377.142	-0.537	50	1	GBGF	
CC(C)=C(C#N)C(=O)OC[C@H](O)[C@H](O)[C@H](O)[C@@H](O)COC(=O)C(C#N)=C(C)C	2356605269	ZPYVMODLBJODJQ-YHUYYLMFSA-N	396.396	-0.764	50	1	GBGF	
C[C@H](N)C(=O)N[C@@H]1[C@@H]2C(=C(O)O[C@]1(C)C(Cl)Cl)C(=O)C[C@@H](O)[C@@H]2O	138628690	BCAFUXAHPDIYFI-GMDIRNFZSA-N	383.228	-0.509	50	1	GBGF	
Cc1cn([C@H]2C[C@H](O)[C@@H](CCNC(=O)CBr)O2)c(=O)[nH]c1=O	17125560	KTYREAPKDRFBLX-IQJOONFLSA-N	376.207	-0.605	50	1	GBGF	
Cc1cn([C@@H]2C[C@@H](O)[C@@H](CCNC(=O)CBr)O2)c(=O)[nH]c1=O	1573663	KTYREAPKDRFBLX-KKZNHRDASA-N	376.207	-0.605	50	1	GBGF	
CCc1cn([C@H]2C[C@@H](O)[C@@H](CNC(=O)CBr)O2)c(=O)[nH]c1=O	28006249	IUUVJEJFCQLKPN-FXPVBKGRSA-N	376.207	-0.742	50	1	GBGF	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](O)[C@H](O)C(=O)NN	587867491	FZLKMUSKEYNGLT-WDEREUQCSA-N	389.290	-0.676	50	1	GBGF	
O=c1[nH]cnc2c([C@@H]3O[C@@H](CI)[C@@H](O)[C@@H]3O)c[nH]c12	34802519	FKFBWNDSWWYBKW-OIBQRHFYSA-N	377.138	-0.152	50	1	GBGF	
NNC(=O)c1ccc2nc(-c3cccc(S(=O)(=O)NCC(N)=O)c3)[nH]c2c1	586936633	SQXOCDPSUPFDHP-UHFFFAOYSA-N	388.409	-0.403	50	1	GBGF	
CS[C@@H]1O[C@H]([C@H](NC(=O)[C@@H]2CCCCCN2)[C@H](C)Cl)[C@H](O)[C@@H](O)[C@H]1O	253635001	ASHMFMVNXDZCCZ-UFPRIIBZSA-N	396.937	-0.199	50	1	GBGF	
CS[C@@H]1O[C@H]([C@H](NC(=O)c2ccccn2)[C@H](C)Cl)[C@H](O)[C@@H](O)[C@H]1O	299810223	NJMDMMWKJNQCNK-JDSKEFKBSA-N	376.862	-0.022	50	1	GBGF	
O=C(NCCCN1CCOCC1)C(=O)N/N=C/c1ccc(O)c([N+](=O)[O-])c1	1857559238	ILJVOKWBKZNMKQ-WOJGMQOQSA-N	379.373	-0.411	50	1	GBGF	
Cc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)N(CCCl)N=O)O2)c(=O)[nH]c1=O	26568315	ZQGCVNXQYNXPDN-IVZWLZJFSA-N	375.769	-0.575	50	1	GBGF	
CS[C@@H]1O[C@H]([C@H](NC(=O)[C@H]2CCCCN2)[C@H](C)Cl)[C@H](O)[C@@H](O)[C@@H]1O	299804720	VPSCMXLSWNEVDQ-JSDFYWKGSA-N	382.910	-0.589	50	1	GBGF	
CS[C@H]1O[C@H]([C@H](NC(=O)C2CCNCC2)[C@H](C)Cl)[C@H](O)[C@H](O)[C@H]1O	299818145	NPHZKBZJEXIBOF-CJFRAKONSA-N	382.910	-0.731	50	1	GBGF	
COC(=O)[C@@H](CCSC)NC(=O)c1ncn2c(=O)n(CCCl)nnc12	27619251	AYESGXJQEAMERX-MRVPVSSYSA-N	388.837	-0.451	50	1	GBGF	
NS(=O)(=O)c1ccccc1C(=O)NNC(=O)NS(=O)(=O)c1ccccc1	13612940	PPTFPBWHAOAFBS-UHFFFAOYSA-N	398.422	-0.333	50	1	GBGF	
Cc1cn([C@H]2C[C@H](O)[C@H](CNC(=O)[C@H](C)Br)O2)c(=O)[nH]c1=O	25998819	MIWBGFKKBYZESR-AATLWQCWSA-N	376.207	-0.607	50	1	GBGF	
CC(C)[C@H](N)C(=O)O[C@H]1[C@@H](F)[C@H](n2ccc(N)nc2=O)O[C@@]1(CO)CCl	147005109	YXUWDVWWMHPHHC-DXHVMGJMSA-N	392.815	-0.443	50	1	GBGF	
CS[C@@H]1O[C@H]([C@H](NC(=O)[C@@H]2CCCCN2C)[C@H](C)Cl)[C@H](O)[C@@H](O)[C@H]1O	299810122	IMWYOVWCWJXTBN-UFPRIIBZSA-N	396.937	-0.247	50	1	GBGF	
CS[C@@H]1O[C@H]([C@H](NC(=O)[C@@H]2CCCNC2)[C@H](C)Cl)[C@H](O)[C@@H](O)[C@@H]1O	299804551	DYRNLZWHQCNVJP-JSDFYWKGSA-N	382.910	-0.731	50	1	GBGF	
CS[C@@H]1O[C@H]([C@H](NC(=O)c2ccccn2)[C@H](C)Cl)[C@H](O)[C@H](O)[C@@H]1O	40810804	NJMDMMWKJNQCNK-ZJLICITRSA-N	376.862	-0.022	50	1	GBGF	
CS[C@@H]1O[C@H]([C@H](NC(=O)[C@H]2CCCCN2C)[C@H](C)Cl)[C@H](O)[C@H](O)[C@@H]1O	40684845	IMWYOVWCWJXTBN-SYRHXFOYSA-N	396.937	-0.247	50	1	GBGF	
CC(=O)C1=C(O)/C(=C(\O)Nc2cccc(NS(N)(=O)=O)c2)C(=O)OC1=O	169336549	FLFPCBIJLFNXIR-ZRDIBKRKSA-N	383.338	-0.032	50	1	GBGF	
C=C(CCO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1OC(C)=O)C[C@@H](O)C=C(C)C=O	2356538422	DCPPWJWOVYBRSD-LVZMMCSGSA-N	388.413	-0.784	50	1	GBGF	
CC(=O)N[C@@H]1[C@H](OC(=O)N(C)[C@@H]2[C@H]3CN4CC[C@H](O3)[C@@H]24)CN2CC[C@H](Cl)[C@@H]12	2356621480	CPFZPQRTCRBNRM-GKZVISKQSA-N	398.891	-0.153	50	1	GBGF	
CC(C)CCOO[C@@H]1C[C@H](CO)[C@H](O)C[C@@H]1O[C@@H]1C[C@H](O)[C@H](O)[C@@H](CO)C1	2356345931	FCQVOJCIINOTRU-JDXRWTKOSA-N	392.489	-0.010	50	1	GBGF	
CS[C@H]1O[C@@H]([C@@H](NC(=O)[C@@H]2CCCCN2)[C@@H](C)Cl)[C@@H](O)[C@@H](O)[C@@H]1O	26293994	VPSCMXLSWNEVDQ-ASVMIECQSA-N	382.910	-0.589	50	1	GBGF	
C=C(CCO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1OC(C)=O)C[C@H](O)C=C(C)C=O	2356538423	DCPPWJWOVYBRSD-OXODIDRGSA-N	388.413	-0.784	50	1	GBGF	
C[C@H](N)C(=O)N[C@@H]1[C@@H]2C(=C(O)O[C@]1(C)C(Cl)Cl)C(=O)C[C@H](O)[C@H]2O	254010024	BCAFUXAHPDIYFI-SFULIFITSA-N	383.228	-0.509	50	1	GBGF	
CS[C@@H]1O[C@H]([C@H](NC(=O)[C@@H]2CCCNC2)[C@H](C)Cl)[C@H](O)[C@@H](O)[C@H]1O	299804550	DYRNLZWHQCNVJP-HXDIXDKGSA-N	382.910	-0.731	50	1	GBGF	
Cc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)[C@@H](C)Br)O2)c(=O)[nH]c1=O	25998827	MIWBGFKKBYZESR-UTINFBMNSA-N	376.207	-0.607	50	1	GBGF	
CS[C@@H]1O[C@@H]([C@@H](NC(=O)[C@H]2CCCCN2)[C@@H](C)Cl)[C@@H](O)[C@@H](O)[C@@H]1O	26288276	VPSCMXLSWNEVDQ-KUCLVCMUSA-N	382.910	-0.589	50	1	GBGF	
O=c1[nH]cnc2c([C@H]3O[C@@H](CI)[C@@H](O)[C@H]3O)c[nH]c12	34802517	FKFBWNDSWWYBKW-CTIUBKRGSA-N	377.138	-0.152	50	1	GBGF	
CCc1cn([C@@H]2C[C@@H](O)[C@H](CNC(=O)CBr)O2)c(=O)[nH]c1=O	40525990	IUUVJEJFCQLKPN-YWVKMMECSA-N	376.207	-0.742	50	1	GBGF	
CS[C@H]1O[C@@H]([C@@H](NC(=O)[C@H]2CCC[C@@H](C)N2)[C@@H](C)Cl)[C@@H](O)[C@@H](O)[C@@H]1O	26296115	XRHWWUFHGMGTQF-RBUXIVAWSA-N	396.937	-0.200	50	1	GBGF	
CS[C@@H]1O[C@@H]([C@@H](NC(=O)c2ccncc2)[C@@H](C)Cl)[C@@H](O)[C@@H](O)[C@@H]1O	26292710	GMWCMLPCWOPNBY-WQJPYSSJSA-N	376.862	-0.022	50	1	GBGF	
CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(NCCCl)C3=O)N1C[C@H]1N[C@H]12	139217300	OOFHXFMQRTVPRG-OFOFKHNNSA-N	396.831	-0.782	50	1	GBGF	
Cc1cc(=O)oc2cc(OCC(=O)NNC(=O)CN3CCOCC3)ccc12	1911573730	HWTNLMAFNIDDOF-UHFFFAOYSA-N	375.381	-0.040	50	1	GBGF	
Cc1cc(B(O)O)cc(C)c1[C@H]1c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21	963204623	MPPUNRLDGJGUAT-MPGHIAIKSA-N	394.240	-0.446	50	1	GBGF	
O=NN(CCCl)C(=O)N[C@@H]1C[C@@H](n2cc(F)c(=O)[nH]c2=O)O[C@@H]1CO	27986550	AQMNBSBCJPFTAD-HLTSFMKQSA-N	379.732	-0.744	50	1	GBGF	biogenic
CS[C@@H]1O[C@H]([C@H](NC(=O)[C@@H]2NCCC[C@@H]2C)[C@H](C)Cl)[C@H](O)[C@@H](O)[C@@H]1O	253633772	IPLAJADNEDKPLF-GKLZIITNSA-N	396.937	-0.343	50	1	GBGF	
CC(C)CCOO[C@@H]1C[C@H](CO)[C@H](O)C[C@@H]1O[C@@H]1C[C@H](O)[C@H](O)[C@H](CO)C1	2356345930	FCQVOJCIINOTRU-HMGATUEFSA-N	392.489	-0.010	50	1	GBGF	
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CI)[C@@H](O)[C@@H]1O	5395349	FUWWLIOFNXNKQR-PERBPWGJSA-N	377.142	-0.537	50	1	GBGF	
CS[C@@H]1O[C@H]([C@@H](NC(=O)[C@H]2CCC[C@@H](C)N2)[C@@H](C)Cl)[C@@H](O)[C@@H](O)[C@@H]1O	26296120	XRHWWUFHGMGTQF-GBAGBYISSA-N	396.937	-0.200	50	1	GBGF	
C[C@H](CN1c2nc(N)[nH]c(=O)c2N[C@H]1Br)OCP(=O)(O)O	58599347	AOXUTPPKHNPZPN-SPGJFGJESA-N	384.127	-0.197	50	1	GBGF	
N#CC1=C2CCCN2[C@@](O)(N2CCOCC2)[C@H]1/N=C/NNC(=O)c1ccncc1	299848002	LSTQJVQZNGJYTC-HKUYNNGSSA-N	397.439	-0.422	50	1	GBGF	
CS[C@@H]1O[C@@H]([C@@H](NC(=O)[C@H]2CCCCN2C)[C@@H](C)Cl)[C@@H](O)[C@@H](O)[C@@H]1O	26375822	IMWYOVWCWJXTBN-FJXPWGHJSA-N	396.937	-0.247	50	1	GBGF	
Cc1cn([C@@H]2C[C@H](O)[C@@H](CN(C)C(=O)CBr)O2)c(=O)[nH]c1=O	26001212	HHMWPWFGSOTGIQ-NGZCFLSTSA-N	376.207	-0.653	50	1	GBGF	
CS[C@H]1O[C@H]([C@@H](NC(=O)[C@@H]2CCC[C@H](C)N2)[C@@H](C)Cl)[C@@H](O)[C@@H](O)[C@@H]1O	26375577	XRHWWUFHGMGTQF-LARBFPIFSA-N	396.937	-0.200	50	1	GBGF	
CS[C@@H]1O[C@H]([C@H](NC(=O)[C@@H]2CCCCN2)[C@H](C)Cl)[C@H](O)[C@@H](O)[C@H]1O	299804722	VPSCMXLSWNEVDQ-WWYDVSSASA-N	382.910	-0.589	50	1	GBGF	
CC(=O)N[C@@H]1[C@H](OC(=O)N(C)[C@@H]2[C@H]3CN4CC[C@H](O3)[C@@H]24)CN2CC[C@@H](Cl)[C@@H]12	2356621481	CPFZPQRTCRBNRM-UECORFITSA-N	398.891	-0.153	50	1	GBGF	
COC(=O)[C@H](CCSC)NC(=O)c1ncn2c(=O)n(CCCl)nnc12	27619257	AYESGXJQEAMERX-QMMMGPOBSA-N	388.837	-0.451	50	1	GBGF	
Cc1cccc(C(=O)NNC(=O)C2(C(=O)N[C@H]3CC(=O)O[C@@H]3O)CCC2)c1	36092989	QNNFJVOWDROYGA-WFASDCNBSA-N	375.381	-0.324	50	1	GBGF	
Cc1cn([C@@H]2C[C@H](O)[C@H](CNC(=O)CCBr)O2)c(=O)[nH]c1=O	40631691	MZVQXZLVRKJGNO-QXEWZRGKSA-N	376.207	-0.605	50	1	GBGF	
Cc1cn([C@@H]2C[C@H](O)[C@@H](CCNC(=O)CBr)O2)c(=O)[nH]c1=O	17125557	KTYREAPKDRFBLX-NGZCFLSTSA-N	376.207	-0.605	50	1	GBGF	
O=C(O)CN(CCSSCCN(CC(=O)O)CC(=O)O)CC(=O)O	28768479	NCLFHODVXHJYEO-UHFFFAOYSA-N	384.432	-0.690	50	1	GBGF	
CS[C@H]1O[C@@H]([C@@H](NC(=O)C2CCNCC2)[C@H](C)Cl)[C@H](O)[C@H](O)[C@H]1O	95553816	NPHZKBZJEXIBOF-DCWBLAMXSA-N	382.910	-0.731	50	1	GBGF	
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CCOC(=O)[C@@H](C)NC(=O)N(N(CCCl)S(C)(=O)=O)S(C)(=O)=O	27886117	MWJMPRACFHXGKW-MRVPVSSYSA-N	393.871	-0.675	50	1	GBGF	
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CS[C@@H]1O[C@H]([C@H](NC(=O)[C@@H]2CCCCN2C)[C@H](C)Cl)[C@H](O)[C@H](O)[C@H]1O	299810121	IMWYOVWCWJXTBN-RJCFBVDPSA-N	396.937	-0.247	50	1	GBGF	
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CS[C@H]1O[C@@H]([C@@H](NC(=O)[C@@H]2CCC[C@H](C)N2)[C@@H](C)Cl)[C@@H](O)[C@@H](O)[C@@H]1O	26375574	XRHWWUFHGMGTQF-JITWJZFBSA-N	396.937	-0.200	50	1	GBGF	
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CS[C@@H]1O[C@H]([C@H](NC(=O)[C@@H]2CCCCCN2)[C@H](C)Cl)[C@H](O)[C@H](O)[C@H]1O	253634996	ASHMFMVNXDZCCZ-RJCFBVDPSA-N	396.937	-0.199	50	1	GBGF	
CC(C)[C@H](N)C(=O)OC[C@@]1(CCl)O[C@@H](n2ccc(N)nc2=O)[C@H](F)[C@@H]1O	147006194	WHTABLCXZYQGMQ-DXHVMGJMSA-N	392.815	-0.443	50	1	GBGF	
O=NN(CCCl)C(=O)NCC[C@@H](OCCO)n1cc(F)c(=O)[nH]c1=O	29210154	NUQDIIMGBLNJAB-SECBINFHSA-N	381.748	-0.495	50	1	GBGF	
N[C@H](CSCc1cc(B(O)O)ccc1N(CCO)CCCl)C(=O)O	1857564545	AKNMVTHCLVKXLP-GFCCVEGCSA-N	376.671	-0.951	50	1	GBGF	
N#CC1=CN(N2CCN(C(=O)CCNCC(=O)N3CCC[C@H]3C#N)CC2)CC=C1	14948542	GUSVKVKGPJDNCE-SFHVURJKSA-N	397.483	-0.181	50	1	GBGF	
CS[C@@H]1O[C@H]([C@H](NC(=O)[C@H]2CCCCN2)[C@H](C)Cl)[C@H](O)[C@@H](O)[C@H]1O	299804719	VPSCMXLSWNEVDQ-HXDIXDKGSA-N	382.910	-0.589	50	1	GBGF	
Cc1cc(=O)oc2cc(OCC(=O)NNC(=O)CN3CCN(C)CC3)ccc12	1911581520	GCJPTYNLVISEFU-UHFFFAOYSA-N	388.424	-0.125	50	1	GBGF	
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