smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)[C@@]1(C)CO1	164675225	BLMPQMFVWMYDKT-XOLRBGIHSA-N	719.924	2.584	0	30	KFAC	
COc1ccc(OC(=O)N(CC(=O)O[C@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@@H]2O)Cc2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2)cc1	306122498	VLMNHAOSAKQBJM-KBAFXWSDSA-N	692.674	2.717	0	30	KFAC	
NC(=O)C1(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2csc3ccccc23)NC(=O)C2CCNCC2)CCNCC1	198051674	KUBPNVYPKPWGRJ-LIVOIKKVSA-N	790.991	2.588	0	30	KFAC	investigational
CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(=O)c3cccnc3)[C@@H]3[C@@H](OC(=O)c4ccco4)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1[C@@H](C)[C@H](C)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O	169289551	PMRSIAJYXABCTQ-WKDQYZPMSA-N	920.874	2.609	0	30	KFAC	in-vitro
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)[C@]1(C)CO1	575366287	BLMPQMFVWMYDKT-ZUDVLINISA-N	719.924	2.584	0	30	KFAC	
CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C=O)[C@H]3[C@@](O)(C(=O)OC)[C@H](O)[C@@]5(CC)C=CCN6CC[C@]43[C@H]65)C2)C1	575416203	YIQATJBOCJPFCF-DTPAHJAOSA-N	782.935	2.947	0	30	KFAC	
COc1ccc(CCN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@@H]5ON=C(C(=O)NN=Cc6ccc(Cl)cc6)[C@H]54)[C@H]3C2=O)cc1OC	254700387	CAPXRKXPGPCLOF-GOXKLKGXSA-N	550.999	2.672	0	30	KFAC	
CC(=O)N[C@H]1[C@H](Oc2ccc3c(C)cc(=O)oc3c2)O[C@@H](COC(=O)C(C)(C)C)[C@H](O)[C@H]1OC(=O)C(C)(C)C	100224354	DYXSONYTZFSEJG-OVCVCBDASA-N	547.601	2.618	0	30	KFAC	in-vitro
COC(=O)N[C@@H]1C(c2cc(OC)c3c(c2)OCO3)=C[C@H](OC(=O)c2ccccc2)[C@@H](OC(C)=O)[C@H]1OC(C)=O	137227649	VYHVQJFSBPDZSF-AICRDVKUSA-N	541.509	2.635	0	30	KFAC	
C1CC[C@@H]2[C@H](C1)[C@@H]1OCCN3CCOCCOCCN(CCO[C@H]12)CCO[C@H]1[C@@H](OCC3)[C@H]2CCCC[C@H]21	149386577	RTLOXIKYQDXPHU-OKASIGMFSA-N	536.754	2.832	0	30	KFAC	
COc1cccc(C(=O)Nc2ccc(NC(=O)c3cc(N4CCN(CCOCCO)CC4)ncc3Cl)cn2)c1	100532119	PGFIIFGOWZCWBV-UHFFFAOYSA-N	555.035	2.774	0	30	KFAC	
COc1ccc(CCN2C(=O)[C@H]3[C@H]4C[C@@H]([C@@H]5ON=C(C(=O)NN=Cc6ccc(Cl)cc6)[C@@H]45)[C@H]3C2=O)cc1OC	254700394	CAPXRKXPGPCLOF-ZTHJLOFLSA-N	550.999	2.672	0	30	KFAC	
CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(OP(=O)(O)O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12	199017388	RWIUXXWKYMGRTF-IDUVWEMQSA-N	655.689	2.547	0	30	KFAC	
CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Br)[C@@H](O)C[C@@]21C	31350317	QAEVJNCCRJTPEE-OSNGSNEUSA-N	513.400	2.840	0	30	KFAC	
CC(C)(O)/C=C/C(=O)[C@@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C	33830395	SRPHMISUTWFFKJ-MKSGFSFGSA-N	516.675	2.929	0	30	KFAC	
CC(C)OC(=O)OCOP(=O)(CO[C@@H](C)Cn1cnc2c(NCO)ncnc21)OCOC(=O)OC(C)C	212060016	OCSNDZVWYFILJW-HNNXBMFYSA-N	549.474	2.815	0	30	KFAC	
CCOC(=O)c1ccc(NC(=O)O[C@@H]2[C@H](CO)O[C@H](OC)[C@@](O)(C(=O)Nc3ccc4c(c3)OCO4)[C@H]2OC(=O)Nc2ccc3c(c2)OCO3)cc1	1531861530	BTIKBLNGGBMYNK-JSZFEKNCSA-N	711.633	2.589	0	30	KFAC	
CC1(C)O[C@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)COP(=O)(O)O)O1	33985766	NXLTXRVPGUCAHF-YTFORWJDSA-N	514.483	2.536	0	30	KFAC	
CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@@H](O[C@H]3C[C@@H]4O[C@@H]5CC(=O)[C@H](C)O[C@@H]5O[C@H]4[C@H](C)O3)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)ccc(O)c2C3=O)[C@H]1C(=O)OC	267331216	ZBDDFHXUDIPRSM-GFIXRQRYSA-N	825.861	2.880	0	30	KFAC	
CC(C)[C@@H]1[C@@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CCN(Cc3cccc(O)c3)C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O	150343112	DMISINIQIKNYRB-XVEIJSAGSA-N	658.862	2.703	0	30	KFAC	
COc1cc(C)c(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@@H]2O)c(C)c1C	575346748	JBZDSEGJHOGTFE-FZNUXWPPSA-N	502.560	2.518	0	30	KFAC	
C[C@H](O)[C@@H](C)[C@@H]1O[C@H]1C[C@@H]1CO[C@H](C[C@@H](C)CC(=O)OCCCCCCCCC(=O)O)[C@H](O)[C@@H]1O	97977933	BLLCNILVBRPJAH-CJAKRTSXSA-N	502.645	2.672	0	30	KFAC	
COC(=O)[C@H](CCCCNC(=O)[C@@H]1CS[C@H](c2ccccc2)N1)NC(=O)[C@@H]1CS[C@H](c2ccccc2)N1	95754790	PSSWHTQSHSCFJD-GZBLQCQNSA-N	542.727	2.738	0	30	KFAC	
CCCC[Sn](CCCC)(OC(=O)CCC(=O)OCCN(C)C)OC(=O)CCC(=O)OCCN(C)C	196003166	PCHWBHIQIOTFDH-UHFFFAOYSA-L	609.349	2.885	0	30	KFAC	
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](NS(=O)(=O)c2ccc(F)cc2)[C@H](C)[C@@H](O)[C@]1(C)O	725446432	YPZMDIOCWCQQSM-YFJLQBARSA-N	893.122	2.703	0	30	KFAC	
C[C@@H]1CCN(C(=O)CC(=O)N2CC[C@@H](C)[C@@H](N(C)c3ncnc4[nH]ccc34)C2)C[C@@H]1N(C)c1ncnc2[nH]ccc12	214493916	CFVCYPAWDKDZTI-VKGYTVAMSA-N	558.691	2.666	0	30	KFAC	
CCCCCC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(=O)NCCCCCC(N)=O)[C@H](C)CC	504522993	XEUVNVNAVKZSPT-OPJGWUQDSA-N	504.672	2.693	0	30	KFAC	
CC(=O)O[C@@H]1[C@H](OC(C)=O)/C(C)=C/[C@@]2(O)[C@@H](OC(C)=O)[C@@H](C)C[C@@H]2[C@H](OC(C)=O)[C@H](C)[C@H](OC(C)=O)[C@@H]2[C@@H]1C2(C)C	2265381391	OEBZHWNGPLIIOC-AOTGIZEBSA-N	580.671	2.900	0	30	KFAC	
Cn1c(=O)c(NC(=O)COc2ccc3c(=O)cc(-c4ccccc4)oc3c2)c(N)n(-c2ccccc2)c1=O	45817787	IXFNKYKVFBSSSF-UHFFFAOYSA-N	510.506	2.909	0	30	KFAC	
CCOc1cc([C@H](Nc2ncc(Cc3cc(OC)c(OC)c(OC)c3)c(N)n2)S(=O)(=O)O)ccc1O	3604328	HCHKZQYFQOONNE-JOCHJYFZSA-N	520.564	2.778	0	30	KFAC	in-man
CC[C@H](O)/C=C/C=C/C=C/C(=O)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@]3(OCc4cc(O)cc(O)c43)[C@H](O)[C@H]2OC(=O)/C=C/C=C/C[C@H](O)/C(C)=C/C=C/CC[C@@H](C)CC)[C@H](O)[C@@H](O)[C@H]1O	96086672	UJLFRJFJTPPIOK-CUAIRZOPSA-N	901.012	2.812	0	30	KFAC	in-vitro
O=C(Cc1ccccc1)N[C@@H]1C(=O)N2C[C@H](O)[C@H](C(=O)OC(c3ccccc3)c3ccccc3)S[C@@H]12	223523754	GVTHDUNOUMJLPD-BBVYRSAVSA-N	502.592	2.691	0	30	KFAC	
CC(=O)O[C@@H]1[C@@H](N[C@H]2C=C(Br)[C@H]3OC(C)(C)O[C@H]3[C@@H]2NS(=O)(=O)c2ccc(C)cc2)C=C[C@H]2OC(C)(C)O[C@H]21	2265352158	UCNCXWLQMKSXKQ-MKDLTZTCSA-N	627.554	2.803	0	30	KFAC	
COc1ccc(OC(=O)N(CC(=O)O[C@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]2O)Cc2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2)cc1	150658835	VLMNHAOSAKQBJM-NJRNYPAHSA-N	692.674	2.717	0	30	KFAC	
CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1C[C@H](O)C[C@@H]1Cc1c(-c2[nH]c3cc(F)ccc3c2C[C@@H]2C[C@H](O)CN2C(=O)[C@H](CC)NC(=O)[C@@H](C)NC)[nH]c2cc(F)ccc12	256070301	PKWRMUKBEYJEIX-UGVTZEHVSA-N	806.956	2.608	0	30	KFAC	
CCCCOC[C@H](CN1C(=O)N(C[C@@H](COCCCC)OC(N)=O)C(=O)C(CC)(c2ccccc2)C1=O)OC(N)=O	4212927	GJJRIOLBUILIGK-VXKWHMMOSA-N	578.663	2.686	0	30	KFAC	in-man
CC[C@@]1(O)CCc2c(OC(C)=O)c3c(c(OC(C)=O)c2[C@H]1C(=O)OC)C(=O)c1c(OC(C)=O)ccc(OC(C)=O)c1C3=O	137807861	LSGRWAOQBFYXHU-QABMSTFYSA-N	596.541	2.507	0	30	KFAC	
CCOC(=O)c1cc(OCCOC)c(OCCOC)cc1NS(=O)(=O)c1ccsc1C(=O)OC	8618153	JOABRYYFUUNGEC-UHFFFAOYSA-N	517.578	2.563	0	30	KFAC	
CC[C@@H](C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C[C@@H]4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12	4215812	SBFXHXZNBNFPHV-PXXBSISHSA-N	577.726	2.521	0	30	KFAC	world
CN[C@H](C)C(=O)N[C@@H]1CN(C(=O)CC(C)C)CC[C@@H]2CC[C@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O	208829922	LSXUTRRVVSPWDZ-WWUMMRACSA-N	561.727	2.623	0	30	KFAC	
COc1ccc(OC(=O)N(CC(=O)O[C@H]2O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)Cc2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2)cc1	306122497	VLMNHAOSAKQBJM-FTWOUWFXSA-N	692.674	2.717	0	30	KFAC	
CC(=O)O[C@@H]1C[C@]23C[C@@]24CC[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]4CC=C3[C@]2(C)C[C@@H]3O[C@]4(C[C@@H](C)[C@@H]3[C@@]12C)O[C@H](O)[C@@]1(C)O[C@@H]14	263584629	XUJMHSCMPCZWOV-LWXUDTQISA-N	674.828	2.949	0	30	KFAC	
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C(Br)=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@@]21C	31334413	IZAIDEPSSMAJPO-ZTISNAQUSA-N	517.363	2.891	0	30	KFAC	
COC(=O)[C@H](CCCCNC(=O)[C@@H]1CS[C@H](c2ccccc2)N1)NC(=O)[C@H]1CS[C@@H](c2ccccc2)N1	256073895	PSSWHTQSHSCFJD-LNGSMSGUSA-N	542.727	2.738	0	30	KFAC	
CC(C)[C@@H]1[C@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CCN(Cc3cccc(O)c3)C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O	26384145	DMISINIQIKNYRB-OXMBMXHISA-N	658.862	2.703	0	30	KFAC	
O=C(COC(=O)[C@@H](O)[C@@H](O)C(=O)OCC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1	17545263	JIDCFWJPUMDWSZ-HDICACEKSA-N	522.350	2.598	0	30	KFAC	
C[C@H]1CN(c2c(NC(=O)c3ccc(F)c(-c4c(F)cccc4F)n3)cnc3c2CC[C@@H]3O)C[C@@H](N)[C@@H]1O	144311651	PTORCEYGCGXHDH-VRUBJZAOSA-N	513.520	2.937	0	30	KFAC	
CO[C@H]1[C@H](O)[C@@H](O[C@@H]2CC[C@]3(C)C(=CC[C@@H]4C(=O)O[C@@H]5CO[C@]6(C)OC=C(CC[C@@H]43)[C@@H]56)C2)O[C@@H](C)[C@H]1O	257461383	KBZJWPGSJWUHPT-ZTUWELBQSA-N	520.619	2.588	0	30	KFAC	biogenic
CC[C@H](O)[C@H](C)/C=C/C=C/[C@H](O)C[C@@H]1C=C[C@@H]2C[C@H](C)C[C@H](C)[C@@H]2[C@]1(C)C(=O)[C@@H]1C(=O)N[C@@H](O)C1=O	257808979	BIUQYWQCNRQCMN-QTZFLVMOSA-N	501.664	2.950	0	30	KFAC	
CCOC(=O)[C@H]1[C@H](c2cccc(Cl)c2)[C@@H](C(=O)OCC)[C@](O)(C(F)(F)F)N[C@]1(O)C(F)(F)F	248304049	LPHVCEOTBIKRRI-VOGVJGKGSA-N	507.811	2.887	0	30	KFAC	
C[C@@H](NC(=O)C(=O)Nc1ccccc1C(C)(C)C)C(=O)N[C@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F	3960029	SCVHJVCATBPIHN-SJKOYZFVSA-N	569.508	2.591	0	30	KFAC	
COC(=O)[C@@H]1O[C@H](Oc2cc3c(c(OC)c2OC)-c2ccc(SC)c(=O)cc2[C@H](NC(C)=O)CC3)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	604970576	IRRYQXHQELBFIE-YETDCFCCSA-N	717.746	2.648	0	30	KFAC	
COc1ccc(CCN2C(=O)[C@H]3[C@H]4C[C@H]([C@H]3C2=O)[C@H]2ON=C(C(=O)NN=Cc3ccc(Cl)cc3)[C@@H]42)cc1OC	254700389	CAPXRKXPGPCLOF-JUAQOOGUSA-N	550.999	2.672	0	30	KFAC	
CC(=O)O[C@H]1C(=O)[C@@]2(C)[C@@H]([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1[C@@H](O)[C@@H]2O	263584226	NDCWHEDPSFRTDA-ZYWDROJESA-N	869.917	2.707	0	30	KFAC	
CC[C@]1(O)CCc2c(OC(C)=O)c3c(c(OC(C)=O)c2[C@H]1C(=O)OC)C(=O)c1c(OC(C)=O)ccc(OC(C)=O)c1C3=O	137807762	LSGRWAOQBFYXHU-NGQVCNFZSA-N	596.541	2.507	0	30	KFAC	
CC(C)=CC/C=C(\C)[C@H]1CC[C@@]2(C)[C@H]1[C@@H](O)C[C@H]1[C@H]2[C@H](C)C[C@@H]2C(C)(C)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]12C	306122510	VNVVACHTDGQAHA-UEFWANOOSA-N	767.010	2.810	0	30	KFAC	
CCOC(=O)[C@H]1[C@H](c2ccc(Br)cc2)[C@@H](C(=O)OCC)[C@](O)(C(F)(F)F)N[C@@]1(O)C(F)(F)F	248321448	UPJKSNJPCVADCN-ZWRJDUBHSA-N	552.262	2.996	0	30	KFAC	
CNC(=O)c1cc(Oc2ccc(NC(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]3O)cc2)ccn1	575416973	HALZWBPBJOJUOZ-CFKFVRPNSA-N	640.955	2.836	0	30	KFAC	
C=CC(=O)NCCNC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O	2265365070	RGHPBLJQHRHPCQ-NVXNUAIPSA-N	504.712	2.783	0	30	KFAC	
CCOC(=O)c1cnc(N2CCN(c3ncc(C(=O)OCC)c(C(F)(F)F)n3)CC2)nc1C(F)(F)F	95742543	NYMKCVRGHMJVFL-UHFFFAOYSA-N	522.406	2.984	0	30	KFAC	
COc1ccc(O[C@@H]2O[C@@H]3CO[C@@H](c4ccc(OC)cc4)O[C@H]3[C@H](O)[C@H]2N2C(=O)c3ccccc3C2=O)cc1	675083019	QGMBSFKMFONRRO-SFZFIBNASA-N	533.533	2.947	0	30	KFAC	
CCOC(=O)[C@H]1[C@H](c2cc(I)c(O)c(OC)c2)[C@@H](C(=O)OCC)[C@@](O)(C(F)(F)F)N[C@@]1(O)C(F)(F)F	247885568	KUHSSSBUZZESER-GGAAVBKFSA-N	645.287	2.553	0	30	KFAC	
C[C@@H]1C[C@@H](O)[C@]2(O)O[C@@H]3C[C@@]4(C)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@@H](C6=CC(=O)OC6)CC[C@]54O)C[C@H]3O[C@@H]2O1	255252409	OFKILMDHPMNNBF-XJSPWRDXSA-N	518.647	2.822	0	30	KFAC	
O=S(=O)(O)c1cc(O)c2c(NS(=O)(=O)c3ccc4cc(O)ccc4c3)ccc(S(=O)(=O)O)c2c1	2512167	GOSKXOUVLIDYTF-UHFFFAOYSA-N	525.538	2.698	0	30	KFAC	
C[C@@H]1CN(c2c(NC(=O)c3ccc(F)c(-c4c(F)cccc4F)n3)cnc3c2CC[C@@H]3O)C[C@H](N)[C@H]1O	669678943	PTORCEYGCGXHDH-SGQXWQAPSA-N	513.520	2.937	0	30	KFAC	
CCCCOC[C@H](CN1C(=O)N(C[C@H](COCCCC)OC(N)=O)C(=O)[C@@](CC)(c2ccccc2)C1=O)OC(N)=O	255974135	GJJRIOLBUILIGK-PFLFQYNRSA-N	578.663	2.686	0	30	KFAC	
CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)[C@@]1(C)CO1	575366283	BLMPQMFVWMYDKT-AQPYRFJYSA-N	719.924	2.584	0	30	KFAC	
CC(C)=CC/C=C(\C)[C@H]1CC[C@@]2(C)[C@@H]1[C@@H](O)C[C@H]1[C@H]2[C@H](C)C[C@@H]2C(C)(C)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]12C	306122507	VNVVACHTDGQAHA-CZANQCITSA-N	767.010	2.810	0	30	KFAC	
COC(=O)OC[C@H]1C[C@@H](Oc2cc(C)cc(O)c2C(=O)CCc2ccc3occc3c2)[C@H](O)[C@@H](O)[C@@H]1O	146991095	LSXKSFYTRNYXBR-DUVDYXJLSA-N	514.527	2.895	0	30	KFAC	
COc1ccc(O[C@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OCc3ccccc3)[C@H]2OC(C)=O)cc1	2265362226	MDZXNXKMNWQSDZ-RTJMFUJLSA-N	502.516	2.811	0	30	KFAC	
C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C	13541874	UBDJSBRKNHQFPD-PYGYYAGESA-N	509.665	2.993	0	30	KFAC	
CC[C@H]1OC(=O)[C@H](C)[C@@H](C[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)C[C@@H](O)[C@]1(C)O	575440214	CTOCQUJMMHHLRY-WLOOIFKJSA-N	761.051	2.954	0	30	KFAC	
COc1cc(C)c(/C=C/C(C)=C/C=C/C(C)=C\C(=O)O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c(C)c1C	77270629	JBZDSEGJHOGTFE-HTUSQDISSA-N	502.560	2.518	0	30	KFAC	in-vitro
CC(C)N(CCCCN1C(=O)c2ccccc2C1=O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H]2OC(C)(C)O[C@H]12	205345711	WYUSKIJGSWWGNK-BMWKMAGWSA-N	549.632	2.613	0	30	KFAC	
CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H]1CC[C@H](C)N(S(=O)(=O)c2ccccn2)CC1=O	14972253	BWYBBMQLUKXECQ-TYPHKJRUSA-N	540.642	2.899	0	30	KFAC	
NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21	98025252	XEPMJHRPEFBZLQ-RPWUZVMVSA-N	501.539	2.581	0	30	KFAC	
CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C=O)[C@@H]3[C@@]45CCN4CC=C[C@@](CC)([C@@H]45)[C@@H](O)[C@]3(O)C(=O)OC)C2)C1	575416206	YIQATJBOCJPFCF-HURMVCECSA-N	782.935	2.947	0	30	KFAC	in-vitro
CCCCCC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)NCCCCCC(N)=O)[C@@H](C)CC	504522995	XEUVNVNAVKZSPT-SWHJIRTISA-N	504.672	2.693	0	30	KFAC	
CO[C@@H]1[C@H](O)[C@H](C)O[C@H](O[C@@H]2CC[C@]3(C)C(=CC[C@@H]4C(=O)O[C@@H]5CO[C@]6(C)OC=C(CC[C@@H]43)[C@@H]56)C2)[C@@H]1O	257461382	KBZJWPGSJWUHPT-SRQUXNSRSA-N	520.619	2.588	0	30	KFAC	biogenic
CCCC(=O)C1(c2ccccc2)CCN(C(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)[C@@H](N)Cc2cncn2C)CC1	209586020	GULVVTHHUIIMRL-NSOVKSMOSA-N	559.711	2.956	0	30	KFAC	
COc1ccc(C(OC[C@H]2O[C@@H](n3cc(F)c(=O)[nH]c3=O)[C@H](OC)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1	101151081	NDNAQFKTEDXFKH-LTGLEFCMSA-N	578.593	2.975	0	30	KFAC	
CC1=C[C@H](O)CC(=O)Cc2nc(co2)C(=O)N2CCC=C2C(=O)O[C@H](C(C)C)[C@@H](C)/C=C\C(=O)NCC=C1	12500982	DAIKHDNSXMZDCU-MDYMGIPYSA-N	525.602	2.659	0	30	KFAC	
O=C(CS(=O)(=O)Nc1ccc(Br)cc1)CS(=O)(=O)Nc1ccc(Br)cc1	1024264	SGEODSFPVAIQJW-UHFFFAOYSA-N	526.228	2.964	0	30	KFAC	
O=C(Cc1ccccc1)N[C@@H]1C(=O)N2C[C@@H](O)[C@H](C(=O)OC(c3ccccc3)c3ccccc3)S[C@@H]12	223523877	GVTHDUNOUMJLPD-UFUIAINPSA-N	502.592	2.691	0	30	KFAC	
CCCCCCCC/C=C\CCCCCCCCN(CCCN)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO	111900411	LKSZPEDUGWJYTB-JMFVFQDWSA-N	502.737	2.637	0	30	KFAC	
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)OC(C)(C)C)cc4)nc32)[C@H]2OC(C)(C)O[C@H]12	72130548	HTABKEQHHQHYFD-GRSOWLQASA-N	595.701	2.891	0	30	KFAC	in-vitro
C[C@H](O)[C@@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@H](C[C@@H](C)CC(=O)OCCCCCCCCC(=O)O)[C@H](O)[C@@H]1O	97977934	BLLCNILVBRPJAH-PNLLFRDCSA-N	502.645	2.672	0	30	KFAC	
CCc1c2c(nc3ccc(OC(=O)N4CCC(N)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@@]3(O)CC	44020237	APWFTHDYKJHNEV-MUUNZHRXSA-N	518.570	2.564	0	30	KFAC	
CC(=O)Nc1c(I)c(NC=O)c(I)c(C(=O)O)c1I	95848753	OJXHBFPYZMAUNW-UHFFFAOYSA-N	599.888	2.725	0	30	KFAC	
CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@H](CC(C)(C)C)NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(=O)C(=O)NC1CC1	1565503633	IILBPJXEESXNPA-JRCAAHEISA-N	693.890	2.836	0	30	KFAC	
C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C	34001854	UBDJSBRKNHQFPD-PKKYHCERSA-N	509.665	2.993	0	30	KFAC	biogenic
COC(=O)[C@@H]1O[C@H](Oc2cc3c(c(OC)c2OC)-c2ccc(SC)c(=O)cc2[C@H](NC(C)=O)CC3)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	604970575	IRRYQXHQELBFIE-PYUKEEKHSA-N	717.746	2.648	0	30	KFAC	
CCOc1cc([C@@H](Nc2ncc(Cc3cc(OC)c(OC)c(OC)c3)c(N)n2)S(=O)(=O)O)ccc1O	3604326	HCHKZQYFQOONNE-QFIPXVFZSA-N	520.564	2.778	0	30	KFAC	in-man
CCOC(=O)c1ccc(NC(=O)O[C@@H]2[C@H](CO)O[C@H](OC)[C@](O)(C(=O)Nc3ccc4c(c3)OCO4)[C@H]2OC(=O)Nc2ccc3c(c2)OCO3)cc1	1531861529	BTIKBLNGGBMYNK-DXGFQJBXSA-N	711.633	2.589	0	30	KFAC	
CO[C@H]1C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6C[C@@H](O)[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@H]1O	299803334	JMBCGBLJEROJPQ-PEQKVOOWSA-N	794.976	2.872	0	30	KFAC	
C[C@H](CC(=O)OCCCCCCCCC(=O)O)C[C@H]1OC[C@@H](C[C@@H]2O[C@H]2[C@H](C)[C@H](C)O)[C@@H](O)[C@H]1O	97977935	BLLCNILVBRPJAH-LGSPQZGASA-N	502.645	2.672	0	30	KFAC	
CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H](C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12)c1ccccc1	72266854	BSIJLJGDLNRGBY-LMVRJCEZSA-N	546.045	2.987	0	30	KFAC	in-man
O=C(O)c1ccccc1[S@@](=O)c1cc(C(=O)O)c([S@@](=O)c2ccccc2C(=O)O)cc1C(=O)O	8648611	AFWAIPSUVRLDSG-AQOUDTPCSA-N	502.478	2.813	0	30	KFAC	
CN1c2c(C(=O)NCCCN3CCOCC3)nn(-c3ccc(Cl)cc3)c2-c2ccccc2S1(=O)=O	33884808	RBJMRYBXOOLWOD-UHFFFAOYSA-N	516.023	2.783	0	30	KFAC	
CC(=O)N[C@H]1[C@H](Oc2ccc3c(C)cc(=O)oc3c2)O[C@H](COC(=O)C(C)(C)C)[C@H](O)[C@@H]1OC(=O)C(C)(C)C	77303579	DYXSONYTZFSEJG-PFKOEMKTSA-N	547.601	2.618	0	30	KFAC	in-vitro
Cc1ncc(F)cc1NC(=O)C[C@H](C(=O)N[C@@H]1C(=O)N2CC3(CC3)CN2C(=O)c2ccccc21)C1CC1	1384260189	WLQXBRYTQYYCMW-REWPJTCUSA-N	505.550	2.735	0	30	KFAC	
COC(=O)[C@@H]1O[C@@H](Oc2cc(/C=C/c3ccc(OC(C)=O)cc3)cc(OC(C)=O)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	72132551	QJSVFPKNACJMKM-WMJQTJMJSA-N	628.583	2.779	0	30	KFAC	
CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@]3(Br)[C@@H](O)C[C@@]21C	96331821	QAEVJNCCRJTPEE-BVSACUDSSA-N	513.400	2.840	0	30	KFAC	
C=CC(=O)NCCNC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O	2265365069	RGHPBLJQHRHPCQ-HJXZMTODSA-N	504.712	2.783	0	30	KFAC	
CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C=O)[C@@H]3[C@]45CCN4CC=C[C@@](CC)([C@@H]45)[C@@H](O)[C@@]3(O)C(=O)OC)C2)C1	575416208	YIQATJBOCJPFCF-LHLMYUQXSA-N	782.935	2.947	0	30	KFAC	
CCOC(=O)[C@H]1[C@H](c2ccc(Br)cc2)[C@@H](C(=O)OCC)[C@](O)(C(F)(F)F)N[C@]1(O)C(F)(F)F	248321443	UPJKSNJPCVADCN-VOGVJGKGSA-N	552.262	2.996	0	30	KFAC	
CCOC(=O)[C@H]1[C@H](c2cccc(Cl)c2)[C@@H](C(=O)OCC)[C@](O)(C(F)(F)F)N[C@@]1(O)C(F)(F)F	248304053	LPHVCEOTBIKRRI-ZWRJDUBHSA-N	507.811	2.887	0	30	KFAC	
C[C@H](CC(=O)OCCCCCCCCC(=O)O)C[C@H]1OC[C@H](C[C@@H]2O[C@H]2[C@H](C)[C@H](C)O)[C@@H](O)[C@H]1O	97977936	BLLCNILVBRPJAH-RJEXKTAUSA-N	502.645	2.672	0	30	KFAC	
Nc1nc(Cl)nc(Nc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)c(/N=N/c4ccccc4S(=O)(=O)O)c(O)c23)n1	150636718	NURBNRFNNUIGIY-CYYJNZCTSA-N	632.014	2.865	0	30	KFAC	
CC(C)[C@@H]1[C@@H](OC(=O)N[C@H](Cc2ccccc2)[C@H](O)CN2CCN(Cc3cccc(O)c3)C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O	150343115	DMISINIQIKNYRB-SBKPECCZSA-N	658.862	2.703	0	30	KFAC	
CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@H](COC(=O)c2ccccc2)[C@@H](O)[C@@H]1OC(=O)c1ccccc1	44962894	MYVKGGKJMHXHHZ-FSJVOCHISA-N	519.550	2.876	0	30	KFAC	in-vitro
O=C1C[C@@H](C(=O)Nc2ccc(C[C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)cc2)NC(=O)N1	213758586	TYZSMQUWFLKJFB-BJKOFHAPSA-N	542.548	2.758	0	30	KFAC	
N=C(N)NCCC[C@@H]1NC(=O)[C@H](C[C@@H]2C=Nc3ccccc32)NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@H]2CCCN2C(=O)[C@H](NC(=O)CCc2ccccc2)CCCNC1=O	254286817	YUIBSMOWXFHTBD-XGZMSIOVSA-N	839.055	2.583	0	30	KFAC	in-vitro
O=S(=O)(c1cccc(C(F)(F)F)c1)N1CN2CN(C1)CN(S(=O)(=O)c1cccc(C(F)(F)F)c1)C2	95719302	ZTUFIZFGEWLMEH-UHFFFAOYSA-N	544.499	2.825	0	30	KFAC	
CC1=C[C@H](O)CC(=O)Cc2nc(co2)C(=O)N2CCC=C2C(=O)O[C@@H](C(C)C)[C@@H](C)/C=C\C(=O)NCC=C1	12500980	DAIKHDNSXMZDCU-AMTMMAJASA-N	525.602	2.659	0	30	KFAC	
CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)NC(C1=C(O)[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3N(c3cccc(F)c3)C1=O)=N2	575440225	FFEATGWXHULIDF-PGDDNOQISA-N	546.602	2.793	0	30	KFAC	
CC1=C[C@@H](O)CC(=O)Cc2nc(co2)C(=O)N2CCC=C2C(=O)O[C@H](C(C)C)[C@H](C)/C=C\C(=O)NCC=C1	33838911	DAIKHDNSXMZDCU-QHKJSJJMSA-N	525.602	2.659	0	30	KFAC	
CC(C)=CC/C=C(\C)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)C[C@]12C	252463679	QOMBXPYXWGTFNR-PWAOTOFHSA-N	767.010	2.953	0	30	KFAC	
CC(=O)O[C@H]1C[C@]2(O)[C@@H]3CC[C@@H]4C[C@@H](O[C@H]5C[C@H](O)[C@H](O[C@H]6C[C@H](O)[C@H](O[C@H]7C[C@H](O)[C@H](O)[C@@H](C)O7)[C@@H](C)O6)[C@@H](C)O5)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C1=CC(=O)OC1	263614565	NEBPBFLVSYFRQE-FVNRWCPUSA-N	822.986	2.789	0	30	KFAC	in-vitro
CC(C)[C@@H]1OC(=O)/C=C/C=C/C=C/C=C/C=C/C[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@@H](O)C[C@H](O)C[C@@H](O)C[C@@H](O)/C=C/[C@@H]1C	255288072	ZYHODWCHANZFES-ZDHLMXAOSA-N	636.823	2.549	0	30	KFAC	
COc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2O[C@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc1	238755716	NGMYNFJANBHLKA-JOZACINJSA-N	514.527	2.595	0	30	KFAC	
CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(=O)c3cccnc3)[C@@H]3[C@@H](OC(=O)c4ccco4)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1[C@H](C)[C@@H](C)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O	169289550	PMRSIAJYXABCTQ-MZLYLFFVSA-N	920.874	2.609	0	30	KFAC	in-vitro
CNC(=O)c1cc(Oc2ccc(NC(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)cc2)ccn1	77313075	HALZWBPBJOJUOZ-QMDPOKHVSA-N	640.955	2.836	0	30	KFAC	world
COc1ccc(C2(O)CCC(N3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1	35939962	NXZNYBUBXWWKCP-JMOWIOHXSA-N	520.552	2.860	0	30	KFAC	in-vitro
COc1c(/C=C\[C@H]2[C@H](O)[C@H]3OC(C)(C)O[C@H]3[C@H]3[C@@H]2[N@@]3S(=O)(=O)c2ccc(C)cc2)ccc2c1OCO2	2265351658	FZPINQCCJMVWGO-RAROKKOTSA-N	515.584	2.698	0	30	KFAC	
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(=O)NC(C)(C)C	3915259	ZILOOGIOHVCEKS-HZFUHODCSA-N	604.752	2.763	0	30	KFAC	investigational
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)OC(C)(C)C)cc4)nc32)[C@H]2OC(C)(C)O[C@@H]12	72130550	HTABKEQHHQHYFD-RNLGNXJRSA-N	595.701	2.891	0	30	KFAC	in-vitro
C=CC(=O)N[C@H]1COC[C@H]1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(C)c2n1	219930296	ZIJVLVUPDVUSMA-UONOGXRCSA-N	520.373	2.801	0	30	KFAC	
N=C(N)NCCC[C@@H]1NC(=O)[C@H](C[C@@H]2C=Nc3ccccc32)NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@H]2CCCN2C(=O)[C@@H](NC(=O)CCc2ccccc2)CCCNC1=O	254286816	YUIBSMOWXFHTBD-LWHNMBOESA-N	839.055	2.583	0	30	KFAC	in-vitro
COc1cc(C)c(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c(C)c1C	77270626	JBZDSEGJHOGTFE-QOKVZKDXSA-N	502.560	2.518	0	30	KFAC	in-vitro
O=C(O)c1ccccc1[S@@](=O)c1cc(C(=O)O)c([S@](=O)c2ccccc2C(=O)O)cc1C(=O)O	12367585	AFWAIPSUVRLDSG-HEVIKAOCSA-N	502.478	2.813	0	30	KFAC	
C[C@H](NC(=O)OCc1ccccc1)C(=O)OC(=O)CCC(=O)OC(=O)[C@H](C)NC(=O)OCc1ccccc1	141691827	NERZRZNSKHCWMQ-ROUUACIJSA-N	528.514	2.536	0	30	KFAC	
C=CCOCCOC(=O)C1=C(C)NC(CO)=C(C(=O)OCCOCCC)[C@H]1c1cccc([N+](=O)[O-])c1	33886711	CIRHYDJLUFGXCX-QFIPXVFZSA-N	504.536	2.518	0	30	KFAC	
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCCO1)S(=O)(=O)c1ccc(N)cc1	140417040	XXIKVDZGFVHAOH-VXNXHJTFSA-N	505.637	2.750	0	30	KFAC	
C=CCOCCOC(=O)C1=C(C)NC(CO)=C(C(=O)OCCOCCC)[C@@H]1c1cccc([N+](=O)[O-])c1	33886712	CIRHYDJLUFGXCX-JOCHJYFZSA-N	504.536	2.518	0	30	KFAC	
CN[C@H](C)C(=O)N[C@@H]1CN(C(=O)CC(C)C)CC[C@H]2CC[C@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O	208829962	LSXUTRRVVSPWDZ-UUSJWDGRSA-N	561.727	2.623	0	30	KFAC	
CC(=O)N(C)c1c(I)cc(I)c(OCC(=O)O)c1I	95860685	NJFAOLRJDWASHP-UHFFFAOYSA-N	600.916	2.947	0	30	KFAC	
C=CC(=O)NCCNC(=O)CC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O	2265365068	RGHPBLJQHRHPCQ-CGKKDOEZSA-N	504.712	2.783	0	30	KFAC	
O=C(NCCOCCOCCOCCOCCOCCOCCO)OCC1c2ccccc2-c2ccccc21	200341814	XYSBJJOOGYRJEO-UHFFFAOYSA-N	547.645	2.617	0	30	KFAC	
CC[C@@]1(OC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]cn2)NC(=S)Nc2ccc(O[C@H]3O[C@@H](C)[C@@H](O)[C@@H](OC)[C@@H]3O)cc2)C(C)C)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	150339966	SLOJCSGNHWIKIG-JNYZSSQASA-N	895.992	2.953	0	30	KFAC	investigational
CC[C@@H](NC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO	96347200	JNYNLVBUXCPHHJ-UWNMQHKVSA-N	519.720	2.935	0	30	KFAC	
CCOC(=O)c1ccc(OCC(O)COc2ccc(C(=O)OCC)c(O)c2C(C)=O)c(C(C)=O)c1O	12339397	PYPOTEKHVUVDCG-UHFFFAOYSA-N	504.488	2.675	0	30	KFAC	
COC(=O)C[C@@H](c1ccccc1)n1c(=O)n([C@@H](CC(=O)OC)c2ccccc2)c(=O)n([C@H](CC(=O)OC)c2ccccc2)c1=O	223581605	YRDFDZWXSXKOLH-GMQQYTKMSA-N	615.639	2.629	0	30	KFAC	
C=CC(=O)NCCNC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O	2265365071	RGHPBLJQHRHPCQ-SDFMITMESA-N	504.712	2.783	0	30	KFAC	
CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(c2)O[C@H](c2ccccc2)CC3=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	8637034	MRVBLZQUXRAVSE-FFRFIGBUSA-N	570.547	2.855	0	30	KFAC	
Cn1c(=O)c2c(nc(NCc3ccco3)n2C[C@H](O)CN(Cc2ccccc2)Cc2ccccc2)n(C)c1=O	8648872	WLEWWKICWGVCCO-HSZRJFAPSA-N	528.613	2.702	0	30	KFAC	
N#Cc1c(I)c(C(=O)O)c(I)c(C(=O)O)c1I	111890976	DAMMTPUDAGMEIL-UHFFFAOYSA-N	568.830	2.768	0	30	KFAC	
CC1=C[C@@H](O)CC(=O)Cc2nc(co2)C(=O)N2CCC=C2C(=O)O[C@H](C(C)C)[C@H](C)/C=C/C(=O)NCC=C1	3934596	DAIKHDNSXMZDCU-FQTGFAPKSA-N	525.602	2.659	0	30	KFAC	
CO[C@H]1[C@H](O)[C@@H](O[C@@H]2CC[C@]3(C)C(=CC[C@@H]4C(=O)O[C@@H]5CO[C@]6(C)OC=C(CC[C@@H]43)[C@H]56)C2)O[C@@H](C)[C@H]1O	257461381	KBZJWPGSJWUHPT-LTQGEBNISA-N	520.619	2.588	0	30	KFAC	biogenic
CCCC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@H](N)Cc2cncn2C)CC1	36286088	GULVVTHHUIIMRL-VSGBNLITSA-N	559.711	2.956	0	30	KFAC	
CC(=O)O[C@H]1[C@@H](C)C[C@@H]2[C@H](OC(C)=O)[C@H](C)[C@H](OC(C)=O)[C@@H]3[C@@H]([C@@H](OC(C)=O)[C@H](OC(C)=O)/C(C)=C/[C@@]12O)C3(C)C	2265381393	OEBZHWNGPLIIOC-NZTYNZGRSA-N	580.671	2.900	0	30	KFAC	
COC(=O)C[C@@H](c1ccccc1)n1c(=O)n([C@H](CC(=O)OC)c2ccccc2)c(=O)n([C@H](CC(=O)OC)c2ccccc2)c1=O	223581659	YRDFDZWXSXKOLH-PFBJBMPXSA-N	615.639	2.629	0	30	KFAC	
CC1(C)O[C@H]2C[C@@H]3[C@H]4CCC5=CC(=O)C=C[C@]5(C)[C@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)COP(=O)(O)O)O1	33985767	NXLTXRVPGUCAHF-DDHKHRHTSA-N	514.483	2.536	0	30	KFAC	
Cn1cc(C[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)c2ccccc21	575407905	MGBNYXHWJXQEQE-GSDHBNRESA-N	512.610	2.588	0	30	KFAC	
CN(C)C=c1c(=O)n(-c2ncc(C(F)(F)F)cc2Cl)c(=CN(C)C)c(=O)n1-c1ncc(C(F)(F)F)cc1Cl	725274084	RTLKWFDZQQOKNE-UHFFFAOYSA-N	583.320	2.722	0	30	KFAC	
O=S(=O)(NS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)NS(=O)(=O)c3ccccc3)cc2)cc1)c1ccccc1	1606319	IISDMBNJXWPOIZ-UHFFFAOYSA-N	592.698	2.688	0	30	KFAC	
COC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](NC(=O)COc3ccccc3)[C@H]2[S@](=O)C1	138591919	QQAYRTHPIWQKCZ-QLAGGVLPSA-N	546.601	2.672	0	30	KFAC	
C[C@H](NC(=O)C(=O)Nc1ccccc1C(C)(C)C)C(=O)N[C@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F	137358331	SCVHJVCATBPIHN-YVEFUNNKSA-N	569.508	2.591	0	30	KFAC	
C[C@@H](NC(=O)C(=O)Nc1ccccc1C(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F	137358255	SCVHJVCATBPIHN-PXAZEXFGSA-N	569.508	2.591	0	30	KFAC	
COC(=O)[C@@H]1O[C@@H](Oc2cc(/C=C/c3ccc(OC(C)=O)cc3)cc(OC(C)=O)c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	72132549	QJSVFPKNACJMKM-WVOUXXKJSA-N	628.583	2.779	0	30	KFAC	
CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1C[C@H](O)C[C@@H]1Cc1c(-c2[nH]c3cc(F)ccc3c2C[C@@H]2C[C@H](O)CN2C(=O)[C@H](CC)NC(=O)[C@H](C)NC)[nH]c2cc(F)ccc12	256070298	PKWRMUKBEYJEIX-NEGOOCEOSA-N	806.956	2.608	0	30	KFAC	in-vitro
COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(NC(C)=O)nc43)[C@H](O)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1	100135322	OMWQAGMMDYBTSJ-QWOIFIOOSA-N	627.654	2.723	0	30	KFAC	
NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21	98025251	XEPMJHRPEFBZLQ-DNQXCXABSA-N	501.539	2.581	0	30	KFAC	
O=C(O)c1ccccc1[S@](=O)c1cc(C(=O)O)c([S@@](=O)c2ccccc2C(=O)O)cc1C(=O)O	18192671	AFWAIPSUVRLDSG-KKLWWLSJSA-N	502.478	2.813	0	30	KFAC	
O=S(=O)(NS(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)NS(=O)(=O)c3ccccc3)cc2)cc1)c1ccccc1	103839809	ZOLXCJSPJPWPLO-UHFFFAOYSA-N	608.697	2.813	0	30	KFAC	
O=C(Cc1ccccc1)N[C@@H]1C(=O)N2C[C@@H](O)[C@@H](C(=O)OC(c3ccccc3)c3ccccc3)S[C@@H]12	585117859	GVTHDUNOUMJLPD-RESCMLIYSA-N	502.592	2.691	0	30	KFAC	
C[C@@H]1CN(c2c(NC(=O)c3ccc(F)c(-c4c(F)cccc4F)n3)cnc3c2CC[C@@H]3O)C[C@H](N)[C@@H]1O	223243698	PTORCEYGCGXHDH-VVAMWUCDSA-N	513.520	2.937	0	30	KFAC	
CO[C@@]1(NC(=O)c2ccccc2)C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CSc3nnnn3C)CO[C@@H]21	26404684	VIKRLVPBOXVHOI-VEEOACQBSA-N	612.668	2.860	0	30	KFAC	
CNC(=O)c1cc(Oc2ccc(NC(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@@H]3O)cc2)ccn1	575416974	HALZWBPBJOJUOZ-JQCUPSQQSA-N	640.955	2.836	0	30	KFAC	
CN[C@H](C)C(=O)N[C@@H]1CN(C(=O)CC(C)C)CC[C@@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O	208829996	LSXUTRRVVSPWDZ-CYRJMILMSA-N	561.727	2.623	0	30	KFAC	
O=S(=O)(O)c1cccc(Nc2nc(Nc3cccc(S(=O)(=O)O)c3)nc(Nc3cccc(S(=O)(=O)O)c3)n2)c1	100534858	DWRLZGBQVFEEKS-UHFFFAOYSA-N	594.609	2.843	0	30	KFAC	
COC(=O)[C@H](CCCCNC(=O)[C@@H]1CS[C@H](c2ccccc2)N1)NC(=O)[C@@H]1CS[C@@H](c2ccccc2)N1	256073899	PSSWHTQSHSCFJD-SHGLSTRNSA-N	542.727	2.738	0	30	KFAC	
O=C(Cc1ccccc1)N[C@@H]1C(=O)N2C[C@H](O)[C@@H](C(=O)OC(c3ccccc3)c3ccccc3)S[C@@H]12	585117858	GVTHDUNOUMJLPD-HFFYFMGZSA-N	502.592	2.691	0	30	KFAC	
CO[C@@H]1[C@H](O)[C@H](C)O[C@H](O[C@@H]2CC[C@]3(C)C(=CC[C@@H]4C(=O)O[C@@H]5CO[C@]6(C)OC=C(CC[C@@H]43)[C@H]56)C2)[C@@H]1O	257461380	KBZJWPGSJWUHPT-GCGHSHAOSA-N	520.619	2.588	0	30	KFAC	biogenic
CCCCOC[C@@H](CN1C(=O)N(C[C@H](COCCCC)OC(N)=O)C(=O)C(CC)(c2ccccc2)C1=O)OC(N)=O	40163079	GJJRIOLBUILIGK-FGZHOGPDSA-N	578.663	2.686	0	30	KFAC	in-man
CC(C)[C@@H]1[C@H](OC(=O)N[C@H](Cc2ccccc2)[C@H](O)CN2CCN(Cc3cccc(O)c3)C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O	150343114	DMISINIQIKNYRB-OIERXHDDSA-N	658.862	2.703	0	30	KFAC	
Cc1cc(N2CCc3c(c(C)nn3CC34CCC(NC(=O)[C@@H]5COCCN5)(CC3)CC4)C2)c2cnn(C)c2n1	2048464850	OXDQXRVWDYGAHX-SAVAPUMLSA-N	532.693	2.542	0	30	KFAC	
CCCCCC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)NCCCCCC(N)=O)[C@H](C)CC	504522994	XEUVNVNAVKZSPT-QNIAMRLHSA-N	504.672	2.693	0	30	KFAC	
O=C(O)CCCCC[C@H](C/C=C\CCCCCCCC(=O)NCCOS(=O)(=O)O)OS(=O)(=O)O	141623799	PNZQFUMFSNZBSU-MTIYJEKLSA-N	531.646	2.822	0	30	KFAC	
CC[C@H](O)[C@H](C)/C=C/C=C/[C@H](O)C[C@@H]1C=C[C@@H]2C[C@H](C)C[C@H](C)[C@@H]2[C@]1(C)C(=O)[C@H]1C(=O)N[C@@H](O)C1=O	257808977	BIUQYWQCNRQCMN-MRFBPQNDSA-N	501.664	2.950	0	30	KFAC	
CCOC(=O)C1=NN(c2ccc(S(=O)(=O)C(F)F)cc2)C(C(=O)OCC)=NN1c1ccc(S(=O)(=O)C(F)F)cc1	103611129	REABJYJDNQAMCO-UHFFFAOYSA-N	608.548	2.759	0	30	KFAC	
COc1cc(C)c(/C=C/C(C)=C/C=C/C(C)=C\C(=O)O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]2O)c(C)c1C	575346750	JBZDSEGJHOGTFE-PJPIAETJSA-N	502.560	2.518	0	30	KFAC	
CC[C@H](O)[C@H](C)/C=C/C=C/[C@H](O)C[C@@H]1C=C[C@@H]2C[C@H](C)C[C@H](C)[C@@H]2[C@]1(C)C(=O)[C@@H]1C(=O)N[C@H](O)C1=O	257808978	BIUQYWQCNRQCMN-QGTFNMKMSA-N	501.664	2.950	0	30	KFAC	
CC[C@@]1(O)CCc2c(OC(C)=O)c3c(c(OC(C)=O)c2[C@@H]1C(=O)OC)C(=O)c1c(OC(C)=O)ccc(OC(C)=O)c1C3=O	137807665	LSGRWAOQBFYXHU-AYWVHJORSA-N	596.541	2.507	0	30	KFAC	
CCCCCCCC/C=C\CCCCCCCCNCCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO	111902231	LCRAWTITTNMLAM-JMFVFQDWSA-N	502.737	2.556	0	30	KFAC	
C[C@H]1CN(CC2CCOCC2)[C@H](C)CN1C(=O)N1Cc2c(Nc3nc(F)ncc3F)n[nH]c2C1(C)C	575440589	UTRLWHIIOCXCEO-CABCVRRESA-N	504.586	3.213	0	30	KFAC	
CC(C)C[C@H](NC(=O)[C@@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)[C@@]1(C)CO1	575366286	BLMPQMFVWMYDKT-ZSBSRGLOSA-N	719.924	2.584	0	30	KFAC	
CCCCOC(=O)CC[C@H](NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)OCCCC	5386246	SPTBIJLJJBZGDY-NRFANRHFSA-N	566.663	2.786	0	30	KFAC	
C1CC[C@@H]2[C@H](C1)[C@@H]1OCCN3CCOCCOCCN(CCO[C@H]12)CCO[C@@H]1[C@@H]2CCCC[C@H]2[C@H]1OCC3	267329180	RTLOXIKYQDXPHU-YNBYPZTOSA-N	536.754	2.832	0	30	KFAC	
CCOC(=O)[C@H]1[C@H](c2cc(I)c(O)c(OC)c2)[C@@H](C(=O)OCC)[C@](O)(C(F)(F)F)N[C@]1(O)C(F)(F)F	247885574	KUHSSSBUZZESER-WUZGEONWSA-N	645.287	2.553	0	30	KFAC	
Cn1nccc1-c1cc(C(=O)NCc2ccc(S(C)(=O)=O)cn2)c(=O)n(-c2cccc(C(F)(F)F)c2)c1	208377284	BSIRHPGCYXLICK-UHFFFAOYSA-N	531.516	2.985	0	30	KFAC	
COC(=O)[C@@H]1O[C@H](Oc2cc3c(c(OC)c2OC)-c2ccc(SC)c(=O)cc2[C@H](NC(C)=O)CC3)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	604970574	IRRYQXHQELBFIE-MSYCSOSWSA-N	717.746	2.648	0	30	KFAC	
CCCCCC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(=O)NCCCCCC(N)=O)[C@@H](C)CC	504522996	XEUVNVNAVKZSPT-UWUFEASWSA-N	504.672	2.693	0	30	KFAC	
CC1(C)O[C@H]2C[C@@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)COP(=O)(O)O)O1	33985765	NXLTXRVPGUCAHF-LUILDMCDSA-N	514.483	2.536	0	30	KFAC	
COC(=O)[C@H]1O[C@H](O)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1	77319643	QGJKDUIQLRJYBH-RBKSQOMQSA-N	520.490	2.553	0	30	KFAC	in-vitro
COc1cc(OC)cc(C(C)(C)OC(=O)N[C@@H](CCCNC(=N)NS(=O)(=O)c2ccc(C)cc2)C(=O)O)c1	95722709	RHVFPNKDAANJJM-NRFANRHFSA-N	550.634	2.710	0	30	KFAC	
CNC(=O)c1cc(Oc2ccc(NC(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]3O)cc2)ccn1	575416975	HALZWBPBJOJUOZ-XALOWKIYSA-N	640.955	2.836	0	30	KFAC	
O=C(COC(=O)[C@H](O)[C@@H](O)C(=O)OCC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1	17545257	JIDCFWJPUMDWSZ-QZTJIDSGSA-N	522.350	2.598	0	30	KFAC	
CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1C[C@H](O)C[C@@H]1Cc1c(-c2[nH]c3cc(F)ccc3c2C[C@@H]2C[C@H](O)CN2C(=O)[C@@H](CC)NC(=O)[C@@H](C)NC)[nH]c2cc(F)ccc12	256070294	PKWRMUKBEYJEIX-AJSQWLOOSA-N	806.956	2.608	0	30	KFAC	
COC(=O)C[C@H](c1ccccc1)n1c(=O)n([C@H](CC(=O)OC)c2ccccc2)c(=O)n([C@H](CC(=O)OC)c2ccccc2)c1=O	1081099780	YRDFDZWXSXKOLH-ZONZVBGPSA-N	615.639	2.629	0	30	KFAC	
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)OC(C)(C)C)cc4)nc32)[C@@H]2OC(C)(C)O[C@@H]12	105852297	HTABKEQHHQHYFD-OJXRJRMYSA-N	595.701	2.891	0	30	KFAC	in-vitro
COc1ccc(O[C@@H]2O[C@@H]3CO[C@H](c4ccc(OC)cc4)O[C@H]3[C@H](O)[C@H]2N2C(=O)c3ccccc3C2=O)cc1	675083018	QGMBSFKMFONRRO-DMOAHHJKSA-N	533.533	2.947	0	30	KFAC	
COc1c(/C=C\[C@H]2[C@H](O)[C@H]3OC(C)(C)O[C@H]3[C@H]3[C@@H]2[N@]3S(=O)(=O)c2ccc(C)cc2)ccc2c1OCO2	2265351656	FZPINQCCJMVWGO-HMIMXDABSA-N	515.584	2.698	0	30	KFAC	
Cn1c(=O)c2c(nc(NCc3ccco3)n2C[C@@H](O)CN(Cc2ccccc2)Cc2ccccc2)n(C)c1=O	8648873	WLEWWKICWGVCCO-QHCPKHFHSA-N	528.613	2.702	0	30	KFAC	
Nc1c(I)cc(I)c(CC(=O)O)c1I	29405536	INVBOJSWUDDQJX-UHFFFAOYSA-N	528.853	2.710	0	30	KFAC	
CC(C)=CC/C=C(\C)[C@H]1CC[C@@]2(C)[C@@H]1[C@@H](O)C[C@@H]1[C@H]2[C@H](C)C[C@@H]2C(C)(C)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@@]21C	306122509	VNVVACHTDGQAHA-KKMTUTFLSA-N	767.010	2.810	0	30	KFAC	
COC(=O)[C@H](CCCCNC(=O)[C@@H]1CS[C@H](c2ccccc2)N1)NC(=O)[C@H]1CS[C@H](c2ccccc2)N1	256073901	PSSWHTQSHSCFJD-WQVMVKNYSA-N	542.727	2.738	0	30	KFAC	
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O	150362126	JUUZKZKBBSFAAT-RYICAFHUSA-N	997.071	2.512	0	30	KFAC	
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)COc1ccccc1)C(C)C	111460035	YBYLTYACMBPKLH-GNKBHMEESA-N	525.646	2.638	0	30	KFAC	
C[C@H](NC(=O)[C@H](C)N[C@@H](CCc1ccccc1)C(=O)O)C(=O)NC(=O)[C@H](Cc1ccccc1)Nc1ccc(C(=O)O)cc1	136879262	UZKWDJFXHHHJFU-YDNHHRFVSA-N	588.661	2.620	0	30	KFAC	
COc1ccc(CCN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H]5ON=C(C(=O)NN=Cc6ccc(Cl)cc6)[C@@H]45)[C@H]3C2=O)cc1OC	254700392	CAPXRKXPGPCLOF-RJUTVYSYSA-N	550.999	2.672	0	30	KFAC	
CCOC(=O)[C@H](Cc1cc(OC)c(OC(=O)OC(C)(C)C)cc1[Sn](C)(C)C)NC=O	195826626	BFLBKKSKVNPYMV-AHJYMZSGSA-N	530.206	2.775	0	30	KFAC	
COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN(CCCCCC(=O)O[C@H]2CN3CCC2CC3)C[C@@H]1OC	13984697	VGDDOIZXGFJDRC-VJTSUQJLSA-N	537.101	2.948	0	30	KFAC	investigational
CCOC(=O)[C@H]1[C@H](c2cc(I)c(O)c(OC)c2)[C@@H](C(=O)OCC)[C@@](O)(C(F)(F)F)N[C@]1(O)C(F)(F)F	247885570	KUHSSSBUZZESER-KIHUKQFUSA-N	645.287	2.553	0	30	KFAC	
CC(=O)O[C@H]1[C@@H](C)C[C@@H]2[C@H](OC(C)=O)[C@H](C)[C@H](OC(C)=O)[C@@H]3[C@H]([C@@H](OC(C)=O)[C@H](OC(C)=O)/C(C)=C/[C@@]12O)C3(C)C	2265381394	OEBZHWNGPLIIOC-UJOHBMLESA-N	580.671	2.900	0	30	KFAC	
COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)N(CCP(=O)(O)O)C(=O)C(C)(C)O4)n2)cc(OC)c1OC	575281417	XWNUJSLWHMVAHQ-UHFFFAOYSA-N	578.494	3.205	0	30	KFAC	
COc1ccc2c3c1O[C@@H]1[C@@H](O)CC[C@](O)([C@H](NC(=O)c4ccc(Br)cc4)C2)[C@]31CCOC(C)=O	2265351668	GBMZHPBNMACMFY-CFBVISASSA-N	546.414	2.650	0	30	KFAC	
O=S(=O)(CS(=O)(=O)Oc1ccc(I)cc1)Oc1ccc(I)cc1	8616711	WJGIRWIODOPPFA-UHFFFAOYSA-N	580.159	2.971	0	30	KFAC	
COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)N[C@H]2CCC[C@@H](O)C2)cc1	22060683	VFBAJFAMXTVSQA-ZWKOTPCHSA-N	510.012	2.613	0	30	KFAC	in-vitro
Cn1c(=O)c(NC(=O)COc2ccc3oc(-c4ccccc4)cc(=O)c3c2)c(N)n(-c2ccccc2)c1=O	45817789	QSPUQJQGCUWCKM-UHFFFAOYSA-N	510.506	2.909	0	30	KFAC	
CNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(N(C)c3nccnc3N(C)S(C)(=O)=O)n2)cc1	2265362060	SAWVRJAHBFCZPH-UHFFFAOYSA-N	510.502	2.552	0	30	KFAC	
CC(C)=CC/C=C(\C)[C@H]1CC[C@@]2(C)[C@H]1[C@@H](O)C[C@@H]1[C@H]2[C@H](C)C[C@@H]2C(C)(C)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@@]21C	306122508	VNVVACHTDGQAHA-FTIOVRPNSA-N	767.010	2.810	0	30	KFAC	
CCCCNC(=O)NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2OC)cc1	95851365	NALGHWVPFKRVFB-UHFFFAOYSA-N	549.027	2.566	0	30	KFAC	
CC(=O)N[C@H]1[C@H](Oc2ccc3c(C)cc(=O)oc3c2)O[C@H](COC(=O)C(C)(C)C)[C@H](O)[C@H]1OC(=O)C(C)(C)C	306121288	DYXSONYTZFSEJG-SAKKWRDPSA-N	547.601	2.618	0	30	KFAC	in-vitro
CCOC(=O)[C@H]1[C@H](c2cc(I)c(O)c(OC)c2)[C@@H](C(=O)OCC)[C@](O)(C(F)(F)F)N[C@@]1(O)C(F)(F)F	247885564	KUHSSSBUZZESER-DNJOTXNNSA-N	645.287	2.553	0	30	KFAC	
CC(=O)N[C@H]1[C@H](Oc2ccc3c(C)cc(=O)oc3c2)O[C@@H](COC(=O)C(C)(C)C)[C@H](O)[C@@H]1OC(=O)C(C)(C)C	100224357	DYXSONYTZFSEJG-LKAHAZCJSA-N	547.601	2.618	0	30	KFAC	in-vitro
CCC[S@](=O)c1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](OCCO)[C@H]4OC(C)(C)O[C@H]43)c2n1	214489221	FFKREGBVPQJTKU-VQDJNLGPSA-N	578.642	2.828	0	30	KFAC	
COc1cc2c(=O)n(N)c(CCCCN3CCN(c4ccc5ccccc5n4)CC3)nc2c(OC)c1OC	39124358	YRXWGDSIUIPNQM-UHFFFAOYSA-N	518.618	2.829	0	30	KFAC	
Cc1cn2nc([C@H]3CCCCN3C(=O)c3cc(Cl)ccc3NS(C)(=O)=O)cc2nc1N1CC[C@@H](N)C1	504725088	GOFXWTVKPWJNGD-DYESRHJHSA-N	532.070	2.967	0	30	KFAC	
COc1ccc(S(=O)(=O)CCOC(C)=O)cc1N1N=C(C)[C@@H](/N=N/c2ccccc2[N+](=O)[O-])C1=O	106112060	SRCABEWMQJCWJZ-QAHCAUCSSA-N	503.493	2.815	0	30	KFAC	
CCC(CC)[C@H](NC(C)=O)[C@@H]1[C@H](O)[C@@H](C(=O)OC)C[C@H]1N=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C	136447472	VRZWPMLRXPHEQX-MFKWGIFDSA-N	542.674	2.871	0	30	KFAC	
CC[C@H](O)[C@H](C)/C=C/C=C/[C@H](O)C[C@@H]1C=C[C@@H]2C[C@H](C)C[C@H](C)[C@@H]2[C@]1(C)C(=O)[C@H]1C(=O)N[C@H](O)C1=O	257808980	BIUQYWQCNRQCMN-XUBOLSCESA-N	501.664	2.950	0	30	KFAC	
CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@H](COC(=O)c2ccccc2)[C@H](O)[C@@H]1OC(=O)c1ccccc1	44962886	MYVKGGKJMHXHHZ-KPTFLJRUSA-N	519.550	2.876	0	30	KFAC	
Cc1c(C)c(S(=O)(=O)N(CCC[C@H](NC(=O)OC(C)(C)C)C(=O)O)C(=N)N)c(C)c2c1OC(C)(C)C2	217636784	VTBCLASBZUYUQU-KRWDZBQOSA-N	526.656	2.968	0	30	KFAC	
CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)OCCCCO[N+](=O)[O-])[C@H]21	43129547	BYXWQFNMLQKHSM-DCOASORXSA-N	541.638	2.888	0	30	KFAC	
COc1ccc(S(=O)(=O)CCOC(C)=O)cc1N1N=C(C)[C@H](/N=N/c2ccccc2[N+](=O)[O-])C1=O	106112062	SRCABEWMQJCWJZ-UTTYWZDOSA-N	503.493	2.815	0	30	KFAC	
O=C1/C(=C\C=C2\Oc3ccccc3N2CCCS(=O)(=O)O)N(CCO)C(=S)N1c1ccccc1	78020248	BVNNJIYVDGEVEG-NDCXBJOESA-N	501.586	2.515	0	30	KFAC	
CNc1c(I)c(C(=O)O)c(I)c(C(=O)O)c1I	145053860	WBJREMGRYVPNKY-UHFFFAOYSA-N	572.862	2.939	0	30	KFAC	
CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(c2)O[C@@H](c2ccccc2)CC3=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	8637035	MRVBLZQUXRAVSE-JVVFSEFXSA-N	570.547	2.855	0	30	KFAC	
COC(=O)C[C@@H](c1ccccc1)n1c(=O)n([C@@H](CC(=O)OC)c2ccccc2)c(=O)n([C@@H](CC(=O)OC)c2ccccc2)c1=O	223581545	YRDFDZWXSXKOLH-QKDODKLFSA-N	615.639	2.629	0	30	KFAC	
COc1cc(C)c(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]2O)c(C)c1C	575346749	JBZDSEGJHOGTFE-ORWJMPSYSA-N	502.560	2.518	0	30	KFAC	
CN(C(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21	77313010	IFPBIAXQORQOIY-BQOQXNJCSA-N	526.369	2.921	0	30	KFAC	in-vitro
CCOC(=O)c1ccc(NC(=O)O[C@@H]2[C@H](CO)O[C@H](OC)[C@](O)(C(=O)Nc3ccc4c(c3)OCO4)[C@@H]2OC(=O)Nc2ccc3c(c2)OCO3)cc1	1531861532	BTIKBLNGGBMYNK-YOWNEEPESA-N	711.633	2.589	0	30	KFAC	
CCCCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)O	146018814	AJUVDCPUBVHMBJ-SDHOMARFSA-N	540.661	2.550	0	30	KFAC	
CCOC(=O)[C@H]1[C@H](c2cccc(Cl)c2)[C@@H](C(=O)OCC)[C@@](O)(C(F)(F)F)N[C@]1(O)C(F)(F)F	248304047	LPHVCEOTBIKRRI-RAZVHJQOSA-N	507.811	2.887	0	30	KFAC	
CC1=C[C@H](O)CC(=O)Cc2nc(co2)C(=O)N2CCC=C2C(=O)O[C@H](C(C)C)[C@H](C)/C=C\C(=O)NCC=C1	11525272	DAIKHDNSXMZDCU-CUKPZCJXSA-N	525.602	2.659	0	30	KFAC	
CC[C@H](NC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO	96347201	JNYNLVBUXCPHHJ-KPJVPSPYSA-N	519.720	2.935	0	30	KFAC	
COc1ccc(OC(=O)N(CC(=O)O[C@H]2O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@H]2O)Cc2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2)cc1	150658833	VLMNHAOSAKQBJM-KFRUFXLZSA-N	692.674	2.717	0	30	KFAC	
CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](C)C[C@@H](C)C(=O)/C=C\[C@]1(C)O	78318478	UZQBOFAUUTZOQE-QXIVUBCBSA-N	525.683	2.513	0	30	KFAC	
CC(=O)Oc1ccc(C(=O)Nc2c(N)n(-c3ccccc3)c(=O)n(Cc3ccccc3)c2=O)cc1OC(C)=O	100049597	UHJVZBPRGJYUQO-UHFFFAOYSA-N	528.521	2.733	0	30	KFAC	
CC(=O)O[C@@H]1C[C@]23C[C@@]24CC[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]4CC=C3[C@]2(C)C[C@@H]3O[C@]4(C[C@@H](C)[C@@H]3[C@@]12C)O[C@H](O)[C@]1(C)O[C@H]41	263584628	XUJMHSCMPCZWOV-FGQXXXAVSA-N	674.828	2.949	0	30	KFAC	
COC(=O)[C@@H]1O[C@H](Oc2cc3c(c(OC)c2OC)-c2ccc(SC)c(=O)cc2[C@H](NC(C)=O)CC3)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	256103725	IRRYQXHQELBFIE-JSDYPLJYSA-N	717.746	2.648	0	30	KFAC	
CCOC(=O)c1ccc(NC(=O)O[C@@H]2[C@H](CO)O[C@H](OC)[C@@](O)(C(=O)Nc3ccc4c(c3)OCO4)[C@@H]2OC(=O)Nc2ccc3c(c2)OCO3)cc1	1531861531	BTIKBLNGGBMYNK-NCULROFKSA-N	711.633	2.589	0	30	KFAC	
CCC(=O)O[C@@H]1[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@@H](C)C[C@H]1N(C)C	263584448	TYQXKHPOXXXCTP-JHPJINGOSA-N	790.001	2.747	0	30	KFAC	
CCCn1c(N)c(NC(=O)[C@@H](C)Cc2ccc(NCC(=O)OC(C)(C)C)cc2)c(=O)n(CCC)c1=O	39125258	DZZMJWXHZGZBDS-KRWDZBQOSA-N	501.628	2.983	0	30	KFAC	
COC(=O)C[C@@](O)(CCCC(C)(C)O)C(=O)O[C@@H]1C(OC)=C[C@]23CCCN2CCc2cc4c(cc2[C@H]13)OCO4	26011092	HYFHYPWGAURHIV-RZCBTRPQSA-N	545.629	2.581	0	30	KFAC	
CC1=C[C@H](O)CC(=O)Cc2nc(co2)C(=O)N2CCC=C2C(=O)O[C@@H](C(C)C)[C@H](C)/C=C\C(=O)NCC=C1	71789744	DAIKHDNSXMZDCU-BYEIKZOMSA-N	525.602	2.659	0	30	KFAC	
CC(C)C[C@@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)[C@@]1(C)CO1	575366285	BLMPQMFVWMYDKT-RHUCHRNESA-N	719.924	2.584	0	30	KFAC	
Cc1cn2nc([C@H]3CCCCN3C(=O)c3cc(Cl)ccc3NS(C)(=O)=O)cc2nc1N1CC[C@H](N)C1	205657764	GOFXWTVKPWJNGD-LAUBAEHRSA-N	532.070	2.967	0	30	KFAC	
CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C=O)[C@@H]3[C@@]45CCN4CC=C[C@@](CC)([C@@H]45)[C@@H](O)[C@@]3(O)C(=O)OC)C2)C1	575416209	YIQATJBOCJPFCF-RVSLJQSRSA-N	782.935	2.947	0	30	KFAC	in-vitro
CCC[C@H](NC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(F)cc1)C(=O)OCC	223461285	BCGKRHWIXVCVPA-QKDODKLFSA-N	654.611	2.671	0	30	KFAC	
CC(=O)O[C@@H]1C[C@]23C[C@@]24CC[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]4CC=C3[C@]2(C)C[C@@H]3O[C@]4(C[C@@H](C)[C@@H]3[C@@]12C)O[C@H](O)[C@@]1(C)O[C@H]14	263584630	XUJMHSCMPCZWOV-RQZGTEPLSA-N	674.828	2.949	0	30	KFAC	
CCCCCC[C@H]1C(=O)O[C@H](C)[C@@H](O)/C=C\C=C/C=C\C=C/C=C(/C)[C@@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@@H]1O	2265364104	YMIXNQVKVPYZHL-LWPVDLTDSA-N	638.839	2.917	0	30	KFAC	
CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(=O)c3cccnc3)[C@@H]3[C@@H](OC(=O)c4ccco4)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1[C@@H](C)[C@@H](C)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O	169289549	PMRSIAJYXABCTQ-GTBSXROLSA-N	920.874	2.609	0	30	KFAC	in-vitro
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21	98025250	XEPMJHRPEFBZLQ-BJKOFHAPSA-N	501.539	2.581	0	30	KFAC	
CC[C@H]1OC(=O)[C@H](C)[C@@H](C[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@@H](C)C[C@@H](O)[C@]1(C)O	575440213	CTOCQUJMMHHLRY-QVDDSSKZSA-N	761.051	2.954	0	30	KFAC	
CC[C@]1(O)CCc2c(OC(C)=O)c3c(c(OC(C)=O)c2[C@@H]1C(=O)OC)C(=O)c1c(OC(C)=O)ccc(OC(C)=O)c1C3=O	137807553	LSGRWAOQBFYXHU-HLADLETHSA-N	596.541	2.507	0	30	KFAC	
CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1C[C@H](O)C[C@@H]1Cc1c(-c2[nH]c3cc(F)ccc3c2C[C@@H]2C[C@H](O)CN2C(=O)[C@@H](CC)NC(=O)[C@H](C)NC)[nH]c2cc(F)ccc12	256070304	PKWRMUKBEYJEIX-VULNAVBMSA-N	806.956	2.608	0	30	KFAC	
C[C@H](NC(=O)[C@H](C)N[C@H](CCc1ccccc1)C(=O)O)C(=O)NC(=O)[C@H](Cc1ccccc1)Nc1ccc(C(=O)O)cc1	136879322	UZKWDJFXHHHJFU-XMODGQSNSA-N	588.661	2.620	0	30	KFAC	
CC(C)(O)/C=C/C(=O)[C@@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@H]3CC=C4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C	76945329	SRPHMISUTWFFKJ-WLTNFTDSSA-N	516.675	2.929	0	30	KFAC	
CN(C(=O)CCC(=O)O)c1c(I)cc(I)c(N)c1I	95876272	LTJAWEPNFDGFQG-UHFFFAOYSA-N	599.932	2.910	0	30	KFAC	
COC(=O)[C@@H]1c2cc3c(c(O)c2[C@@H](O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]4C[C@@H]5O[C@H]6CC(=O)[C@H](C)O[C@H]6O[C@@H]5[C@H](C)O4)[C@H](C)O2)C[C@@]1(C)O)C(=O)c1c(O)cccc1C3=O	95750052	PCGZUKQITWMLRC-RJFPJLDVSA-N	795.835	2.784	0	30	KFAC	
COC(=O)[C@@H]1O[C@@H](Oc2cc(/C=C/c3ccc(OC(C)=O)cc3)cc(OC(C)=O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	198127295	QJSVFPKNACJMKM-WYCUQSSRSA-N	628.583	2.779	0	30	KFAC	in-vitro
CCOC(=O)[C@H](CSC[C@H](NC(=O)OCc1ccccc1)C(=O)O)NC(=O)OCc1ccccc1	96328724	NLBXBPQGPOPMOL-PMACEKPBSA-N	504.561	2.957	0	30	KFAC	
COc1cc(C)c(/C=C/C(C)=C/C=C/C(C)=C\C(=O)O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]2O)c(C)c1C	575346752	JBZDSEGJHOGTFE-WYNXRDDZSA-N	502.560	2.518	0	30	KFAC	
C1CC[C@@H]2[C@H](C1)[C@@H]1OCCN3CCOCCOCCN(CCO[C@H]12)CCO[C@@H]1[C@@H]2CCCC[C@@H]2[C@H]1OCC3	267329171	RTLOXIKYQDXPHU-URYTUXJOSA-N	536.754	2.832	0	30	KFAC	
CCOC(=O)[C@H]1[C@H](c2cccc(Cl)c2)[C@@H](C(=O)OCC)[C@@](O)(C(F)(F)F)N[C@@]1(O)C(F)(F)F	248304051	LPHVCEOTBIKRRI-ZSBSYDTGSA-N	507.811	2.887	0	30	KFAC	
C1CC[C@@H]2[C@H](C1)[C@@H]1OCCN3CCOCCOCCN(CCO[C@H]12)CCO[C@H]1[C@@H](OCC3)[C@@H]2CCCC[C@H]21	267329176	RTLOXIKYQDXPHU-VEPIHAAWSA-N	536.754	2.832	0	30	KFAC	
COc1cc(C)c(/C=C/C(C)=C/C=C/C(C)=C\C(=O)O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@@H]2O)c(C)c1C	575346751	JBZDSEGJHOGTFE-UAPRGCPTSA-N	502.560	2.518	0	30	KFAC	
CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(=O)c3cccnc3)[C@@H]3[C@@H](OC(=O)c4ccco4)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1[C@H](C)[C@H](C)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O	169289552	PMRSIAJYXABCTQ-XPYIAHFXSA-N	920.874	2.609	0	30	KFAC	in-vitro
COc1cc(C)c(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]2O)c(C)c1C	575346753	JBZDSEGJHOGTFE-YSFCGWBTSA-N	502.560	2.518	0	30	KFAC	
O=C(COC(=O)[C@@H](O)[C@H](O)C(=O)OCC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1	17545260	JIDCFWJPUMDWSZ-ROUUACIJSA-N	522.350	2.598	0	30	KFAC	
CCOC(=O)[C@H]1[C@H](c2ccc(Br)cc2)[C@@H](C(=O)OCC)[C@@](O)(C(F)(F)F)N[C@]1(O)C(F)(F)F	248321440	UPJKSNJPCVADCN-RAZVHJQOSA-N	552.262	2.996	0	30	KFAC	
CCC[S@@](=O)c1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](OCCO)[C@H]4OC(C)(C)O[C@H]43)c2n1	214489170	FFKREGBVPQJTKU-JGFDSOJHSA-N	578.642	2.828	0	30	KFAC	
COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@@](O)(F)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1	2265383483	XCIFYAIRHSPHID-BQOYKFDPSA-N	564.566	2.891	0	30	KFAC	
CC(C)C[C@@H](NC(=O)[C@@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)[C@@]1(C)CO1	575366284	BLMPQMFVWMYDKT-CYSTUYJLSA-N	719.924	2.584	0	30	KFAC	
CCCC[Sn](CCCC)(OC(=O)/C=C\C(=O)OCCOC)OC(=O)/C=C\C(=O)OCCOC	196566601	QJLJZLJTGWMKGT-UDVCPWNYSA-L	579.231	2.607	0	30	KFAC	
CCCn1c(N)c(NC(=O)[C@H](C)Cc2ccc(NCC(=O)OC(C)(C)C)cc2)c(=O)n(CCC)c1=O	39125259	DZZMJWXHZGZBDS-QGZVFWFLSA-N	501.628	2.983	0	30	KFAC	
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COc2ccc(OCCN)cc2)C(C)(C)C)cc1	1857791989	UWILAIJPPCISSY-ZSOKXDGFSA-N	623.776	2.644	0	30	KFAC	
COC(=O)[C@@H]1O[C@@H](Oc2cc(/C=C/c3ccc(OC(C)=O)cc3)cc(OC(C)=O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	575418001	QJSVFPKNACJMKM-ATHGLUOMSA-N	628.583	2.779	0	30	KFAC	
CN[C@@H](Cc1cn(C)c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O	575407904	LTEKGJFKBKUJFQ-QKDODKLFSA-N	526.637	2.848	0	30	KFAC	
CC(=O)O[C@@H]1C[C@]23C[C@@]24CC[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]4CC=C3[C@]2(C)C[C@@H]3O[C@]4(C[C@@H](C)[C@@H]3[C@@]12C)O[C@H](O)[C@]1(C)O[C@@H]41	263584631	XUJMHSCMPCZWOV-RYCMIJMQSA-N	674.828	2.949	0	30	KFAC	
CC(C)=CC/C=C(\C)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)C[C@]12C	1857787660	QOMBXPYXWGTFNR-HLMQEUDWSA-N	767.010	2.953	0	30	KFAC	
CCOC(=O)[C@H]1[C@H](c2ccc(Br)cc2)[C@@H](C(=O)OCC)[C@@](O)(C(F)(F)F)N[C@@]1(O)C(F)(F)F	248321445	UPJKSNJPCVADCN-ZSBSYDTGSA-N	552.262	2.996	0	30	KFAC	
CC(=O)O[C@@H]1[C@@H](N[C@@H]2C=C(Br)[C@H]3OC(C)(C)O[C@H]3[C@@H]2NS(=O)(=O)c2ccc(C)cc2)C=C[C@H]2OC(C)(C)O[C@H]21	2265352157	UCNCXWLQMKSXKQ-HRNCKKKASA-N	627.554	2.803	0	30	KFAC	
CC(=O)O[C@H]1[C@H]2[C@@H]([C@@H](OC(C)=O)[C@@H](C)[C@@H](OC(C)=O)[C@H]3C[C@H](C)[C@H](OC(C)=O)[C@]3(O)/C=C(\C)[C@H]1OC(C)=O)C2(C)C	2265381392	OEBZHWNGPLIIOC-HKFHZTORSA-N	580.671	2.900	0	30	KFAC