smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CCCCN(C(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1c(N)n(CCC)c(=O)[nH]c1=O	3432014	WDYLCNSSASEGCU-NRFANRHFSA-N	517.586	2.569	0	40	KFAB	
CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12)C(=O)N[C@@H](C)C(=O)O	12886407	WBMOUMRUWNKLGQ-FFECOYDQSA-N	502.571	2.758	0	40	KFAB	biogenic
Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4ccc(O)cc4)CC3)cc2c1	19941632	LYAPTNPRVDHCIP-ZEQKJWHPSA-N	515.618	2.928	0	40	KFAB	
O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1	20031819	ULWVVKHNIIMACN-LJQANCHMSA-N	526.080	2.842	0	40	KFAB	
O=C1[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C(=O)N1c1ccc2c(c1)OCCO2	26771741	KNXKVPINDROMLS-MDTICMOCSA-N	510.344	2.652	0	40	KFAB	biogenic
COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(-n3cnnn3)c(C)c2)cc1	33356953	LVFKPXAAIOVGRJ-OUTSHDOLSA-N	581.637	2.794	0	40	KFAB	
COCCNC(=O)[C@H](c1ccc(C)o1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(C(F)(F)F)c1	100324998	GFDFZWBCDFDLAW-KRWDZBQOSA-N	525.509	2.895	0	40	KFAB	
CC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)OCC(=O)c1ccc(Cl)s1	102778410	PRYOOTPWXXOAOV-FQEVSTJZSA-N	529.036	2.603	0	40	KFAB	
COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c(Br)cc1OCC(=O)O	409384549	CZAKIXSEMFADER-PXNMLYILSA-N	513.366	2.970	0	40	KFAB	
CN(C(=O)OC(C)(C)C)[C@H]1CC2(CCN(Cc3ccc(OCC(=O)N4CCOCC4)cc3)CC2)OC[C@]1(C)O	585270427	JNLCQALGOJRLPV-CUBQBAPOSA-N	547.693	2.666	0	40	KFAB	
O=c1[nH]c2cc3c(cc2cc1CN(CCN1CCOCC1)C(=S)NCCc1ccccc1)OCCO3	891223	BIHWHHFFILXGPU-UHFFFAOYSA-N	508.644	2.551	0	40	KFAB	
Cc1ccc(C)c(N(CC(=O)NC(C)(C)C)C(=O)C[S@](=O)CC(=O)Nc2ccc3c(c2)OCO3)c1	12708585	RSGCDHVGZUXZTH-DHUJRADRSA-N	501.605	2.667	0	40	KFAB	
CCN(C(=O)COC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	32666485	RVBNKGWENHPUPS-UHFFFAOYSA-N	514.966	2.574	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1Cl	59837978	WYOTVIFLRSQYTA-UHFFFAOYSA-N	552.074	2.546	0	40	KFAB	
COc1cc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)ccc1OCC(=O)N1CCOCC1	103020006	LCVZWQYJRIHVLG-WOJBJXKFSA-N	545.658	2.852	0	40	KFAB	
CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccccn4)c(C)oc3c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	170621400	ARWVTIKJEMLWAI-CVMMQCETSA-N	583.546	2.625	0	40	KFAB	
CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	222917366	VTBUESFNKKVQNP-JOCHJYFZSA-N	519.664	2.844	0	40	KFAB	
CS(=O)(=O)N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCCN1CCOCC1)Cc1ccccc1	223157357	JZQIFEFHKQRYBO-PMERELPUSA-N	610.752	2.676	0	40	KFAB	
CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	224335024	NJDXGHXBOWMAIN-LJQANCHMSA-N	510.012	2.778	0	40	KFAB	
Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)c2C)cc1	224459202	SKLVAJZJHDMVHP-UHFFFAOYSA-N	573.693	2.934	0	40	KFAB	
C[C@H]1CCCN(Cc2ccc(C(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)C1	224471792	UQPXSSNPHBLPIZ-NRFANRHFSA-N	501.649	2.748	0	40	KFAB	
CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	224760850	WHNYJEMRVMKPOH-QFIPXVFZSA-N	535.638	2.943	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O	225453291	JKCGLKGEFMXYOI-QGZVFWFLSA-N	510.454	2.995	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O	225453654	MGHYFIDEJWKFLX-QGZVFWFLSA-N	510.454	2.995	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	260986120	OZIYSJRPHXYXPB-UXHICEINSA-N	517.648	2.946	0	40	KFAB	
COc1cc(OC)cc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3ccc(Br)c(Cl)c3)CC2=O)c1	408661494	WBENGTCEFBDMFA-ZDUSSCGKSA-N	554.781	2.795	0	40	KFAB	
CCOc1c(OC)cccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3cc(OC)c(OC)c(OC)c3)c(=O)n21	409012511	ILHHQVKOJACQIT-ZMIGGIFCSA-N	598.674	2.858	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	409158644	XTDVVQCHUCFXGG-PSAPEEBNSA-N	665.765	2.842	0	40	KFAB	
CC(=O)Oc1ccc(C(=O)COC(=O)[C@H](CCS(C)(=O)=O)N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1	409178745	OGBRDWMHOJJAAM-IBGZPJMESA-N	556.376	2.744	0	40	KFAB	
CC1(C)NC(=O)N(CCOc2ccc(CN3CCOC[C@](O)(COc4ccc(Cl)cc4)C3)cc2)C1=O	585279740	GFXXSCOXSFDPMZ-SANMLTNESA-N	518.010	2.692	0	40	KFAB	
O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1	2680371	QWHLUFQDGZWSAO-UHFFFAOYSA-N	540.623	2.846	0	40	KFAB	
Cc1cccc(-n2c(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)nnc2-c2c[nH]c3ccccc23)c1	3333173	NIDGLLNOLJOXQV-UHFFFAOYSA-N	501.572	2.679	0	40	KFAB	
COC(=O)[C@]1(C)[C@@H](OC(C)=O)C[C@@H](OC(C)=O)[C@@]2(C)c3c(O)cc(C(C)C)cc3[C@@H](O)[C@@H](OC(C)=O)[C@@H]12	72320267	CDYGRHOHQUXDMN-MUPQNVEMSA-N	520.575	2.815	0	40	KFAB	biogenic,in-vitro
Cc1ccc(N2CCCC2=O)cc1S(=O)(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1	98007991	FDRCOOWHISLERR-UHFFFAOYSA-N	528.034	2.832	0	40	KFAB	
O=C(CCc1nnc2n(Cc3ccccc3Cl)c(=O)c3ccccc3n12)N1CCN(c2ncccn2)CC1	101532435	CYKLPOGYDPCOSJ-UHFFFAOYSA-N	529.004	2.817	0	40	KFAB	
C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223886992	FWPVQNXLNMJQQO-SFHVURJKSA-N	533.622	2.839	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O	225838431	LBUWJBWVPCJSLC-UHFFFAOYSA-N	530.068	2.924	0	40	KFAB	
COC(=O)[C@H]1CN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)c2ccccc2O1	226009279	VTUFZJOAIGDIFD-XMMPIXPASA-N	510.568	2.853	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	261048431	ZQDUBGVJCSVINE-MOPGFXCFSA-N	503.621	2.822	0	40	KFAB	
CC(=O)N[C@@H]1[C@H](Sc2nnc(COc3cccc(C)c3)n2-c2ccccc2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	504461544	RMUTZVWIWLMGGQ-GLOKNNJPSA-N	626.688	2.903	0	40	KFAB	biogenic
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)NC[C@H]3CCS(=O)(=O)C3)c(=O)cc1[C@@H](NC(C)=O)CC2	524732258	YMMYBIRAEFLUQG-VPHKFGTKSA-N	647.816	2.948	0	40	KFAB	biogenic
Cc1ccc(C(=O)O)cc1S(=O)(=O)N(Cc1ccccc1)[C@H]1CS(=O)(=O)C[C@H]1NCc1ccccc1	575426044	LGYCDPDMVJNKQE-RPWUZVMVSA-N	528.652	2.840	0	40	KFAB	
Cc1ccccc1OCC(=O)N1CCCCC2(CCN(Cc3ccccn3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1	643578462	CMHOLCHXCMIVJY-IZZNHLLZSA-N	539.673	2.719	0	40	KFAB	
O=C(C[C@@H]1CCN2C[C@@H]1C=CCOc1ccccc1CN(C1CCOCC1)CC2=O)NCCN1CCCC1	958317906	YYFIXUKSAGDLGF-DQEYMECFSA-N	524.706	2.683	0	40	KFAB	
O=C(Cc1ccc2c(c1)OCO2)N1CCCCC2(CCN(Cc3ccccc3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1	1615107793	YLGIUYJLKZZPQD-IZZNHLLZSA-N	552.668	2.908	0	40	KFAB	
CN1CC2(CCN(C(=O)Cc3ccccc3Cl)CC2)C[C@@H](O)[C@@H](O)Cc2ccccc2OCC1=O	2037946847	DNBGLSNTIFSKNZ-XZOQPEGZSA-N	501.023	2.697	0	40	KFAB	
COCCn1c(N)c(N(Cc2ccccc2)C(=O)CCCOc2ccc(Br)cc2)c(=O)[nH]c1=O	3348552	WJSXELPOQMCIBE-UHFFFAOYSA-N	531.407	2.920	0	40	KFAB	
CCCCn1c(CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	6488850	MKCUOTMCSUTXNW-IQGLISFBSA-N	517.652	2.858	0	40	KFAB	
COc1ccc(-c2nnc(SCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)n2CCc2ccccc2)cc1	12487803	XDZIJHFFDTUTRY-FQEVSTJZSA-N	500.646	2.934	0	40	KFAB	
Cc1noc(C)c1COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1	13165140	LNOBQNBFLGKPPW-UHFFFAOYSA-N	513.572	2.788	0	40	KFAB	
CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)NC1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1	13565724	RHCAJECGGPMEDJ-OAQYLSRUSA-N	515.529	2.861	0	40	KFAB	
CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)C1	20491327	IKOBVWSGKMMDBU-OAHLLOKOSA-N	501.030	2.598	0	40	KFAB	
COc1ccc(CCNC(=O)Cn2c(=O)n(CCCCC(=O)NCc3ccc4c(c3)OCO4)c(=O)c3ccccc32)cc1OC	29749868	ZJESLXQKAYKUPS-UHFFFAOYSA-N	616.671	2.755	0	40	KFAB	
COc1ccc(C)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1	59838359	ICRXBDMQRDXSMP-VWLOTQADSA-N	571.721	2.994	0	40	KFAB	
O=c1[nH]c(=O)n(-c2ccc(Br)cc2)c(O)c1C(c1ccccn1)c1c(O)n(-c2ccc(Br)cc2)c(=O)[nH]c1=O	163565558	IWMFBQDBCMDUGW-UHFFFAOYSA-N	655.259	2.876	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O	222748312	LLWGYENRDUCRCB-AWEZNQCLSA-N	502.420	2.931	0	40	KFAB	
O=C(Nc1nnc(S(=O)(=O)NCc2ccccc2CN2CCOCC2)s1)c1ccc(Cl)cc1	224173489	FBSFKXMLXCOSSF-UHFFFAOYSA-N	508.025	2.755	0	40	KFAB	
CC[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O	224486040	JFVJLRFFNBUPBA-JOCHJYFZSA-N	594.539	2.754	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCc3ccc(S(=O)(=O)N4CCCC4)cc3)C2)cc1Cl	260720876	UWUFNSRJMXWPCI-FQEVSTJZSA-N	570.133	2.893	0	40	KFAB	
CN(CC(=O)N(Cc1ccccc1)[C@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1)S(C)(=O)=O	260726500	YVESCKYFHMGTAN-SANMLTNESA-N	523.611	2.693	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCNS(=O)(=O)c3ccc(C)cc3)C2)cc1Cl	260733893	FOIHQGKTCSYJJZ-SFHVURJKSA-N	544.095	2.543	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1cccc(OC)c1)[C@H](C)C(=O)NCC(C)C)c1ccc2c(c1)OCCO2	260858539	AMJINCAWWFCZPO-HXUWFJFHSA-N	547.674	2.812	0	40	KFAB	
Cc1cccc(C)c1NC(=O)COc1ccc(N2C[C@@H](C(=O)NCCCN3CCOCC3)CC2=O)cc1	408581877	UYJGBTVTPJESHR-QFIPXVFZSA-N	508.619	2.512	0	40	KFAB	
CCOC(=O)CN1C(=O)/C(=c2/sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C)N=3)c2ccccc21	409391033	XNVHFLNTWYRMDF-AYWGPLOBSA-N	566.035	2.732	0	40	KFAB	
CCOc1ccc(CCCNC(=O)[C@@H]2CCC(=O)N[C@H](C(C)C)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1OC	643568797	GEPCSHQRQAJZLD-PWUYWRBVSA-N	596.725	2.713	0	40	KFAB	
CCCCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCOC[C@@H]2CCCO2)CCC(=O)N[C@@H](Cc2ccccc2)C1=O	643585295	WNKNVYVMUPGMBA-ZXRKZBAXSA-N	622.763	2.626	0	40	KFAB	
CC(C)C[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(N)=O	6190424	USXRRKPOSGWVFO-ZLNRFVROSA-N	577.723	2.743	0	40	KFAB	
CCOC(=O)[C@@](O)(c1ccc(N[C@@](NC(=O)CC)(C(=O)OCC)C(F)(F)F)c(OC)c1)C(F)(F)F	8445393	FVDBHHBVHRIXCE-ZWKOTPCHSA-N	518.407	2.768	0	40	KFAB	
C[C@@H](C(=O)NC1CCCC1)N(C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1cccc(F)c1	12709811	SKYVXRNONHIEJZ-FGAOGKJBSA-N	517.579	2.722	0	40	KFAB	
NS(=O)(=O)c1ccc(CNC(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(Cl)cc2)cc1	59837704	ZJAAOGDABDJZGZ-UHFFFAOYSA-N	526.011	2.634	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OC)c3OC)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	97958173	REEALSYYUAZFIG-YJADQXIJSA-N	554.621	2.841	0	40	KFAB	
COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)/C=C/c1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1	97980385	DTGBJYOGFKGJEV-UKTHLTGXSA-N	537.660	2.781	0	40	KFAB	
COc1ccc(CCNC(=O)Cn2c(=O)c3sccc3n(CC(=O)Nc3ccc(C)cc3)c2=O)cc1OC	102923798	ARZASNVBBSZNNX-UHFFFAOYSA-N	536.610	2.548	0	40	KFAB	
CCOC(=O)c1[nH]c(COC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c(C(=O)OCC)c1C	103114479	WWJMWOLAMVOMIZ-UHFFFAOYSA-N	542.994	2.708	0	40	KFAB	
CS(=O)(=O)N(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCCO)c1ccccc1)Cc1ccccc1	223373790	AZSMEYXIOHGEQW-AREMUKBSSA-N	544.073	2.980	0	40	KFAB	
CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O	223434062	OFPDZRGOQAIWKD-HXUWFJFHSA-N	512.028	2.677	0	40	KFAB	
CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	225029821	LGLKDHYYVJTGRL-SFHVURJKSA-N	519.620	2.524	0	40	KFAB	
CN(CC(=O)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl	226058745	NNZVWYMWGIFRLM-UHFFFAOYSA-N	534.487	2.757	0	40	KFAB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H]2CS(=O)(=O)C[C@@H]2NCc2ccccc2)c(OC)c1	575425559	GIACHNZCFUCYEK-ZEQRLZLVSA-N	530.668	2.850	0	40	KFAB	
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)OC(C)(C)C	5461739	DYJGHQWHYDJVBG-OALUTQOASA-N	509.669	2.818	0	40	KFAB	
CC(C)CCNC(=O)[C@H](c1ccncc1)N(C[C@H]1CCCO1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1	6076964	IOTOPIJDMFYUKE-VWNXMTODSA-N	509.586	2.785	0	40	KFAB	
O=c1nc(C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)[nH]c2c1nnn2Cc1ccccc1Cl	6161801	LHAJBCHXNBUKBL-UHFFFAOYSA-N	543.005	2.556	0	40	KFAB	
CCOc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2cccs2)cc1	6601085	OWSHGOPRGFBOLM-OXQOHEQNSA-N	529.644	2.968	0	40	KFAB	
COc1cc(C[C@@H](NC(C)=O)C(=O)NC2CCN(c3c(Cc4ccccc4)c(C)nc4ncnn34)CC2)cc(OC)c1	8690192	OEMOTSWBUJVPHM-MUUNZHRXSA-N	571.682	2.873	0	40	KFAB	
O=C(C[S@@](=O)CC(=O)N(CC(=O)NC1CCCCC1)c1ccc(F)cc1)Nc1ccc2c(c1)OCO2	12710261	MYFIKZSXZKRVSU-BHVANESWSA-N	517.579	2.724	0	40	KFAB	
CC(=O)N[C@@H](Cc1ccccc1F)C(=O)NC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1	13565637	SJBWSPKTJLTSPY-NRFANRHFSA-N	515.529	2.861	0	40	KFAB	
CCN(C[C@H](O)COc1ccc(C(C)(C)C)cc1)C[C@H](O)CN(CCc1ccccc1)S(=O)(=O)O	34805107	HJVDSESDCWSWKY-ZEQRLZLVSA-N	508.681	2.754	0	40	KFAB	
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)n1	44900630	KHXXOEUSMFJWME-GOSISDBHSA-N	517.633	2.996	0	40	KFAB	
COc1ccc(CCN2C(=O)NC(=O)[C@]3(Cc4c(nc5ccccn5c4=O)N4CCc5ccccc5[C@@H]43)C2=O)cc1OC	101671557	KWGCUAKWNZIRQR-HVIPQOSHSA-N	579.613	2.679	0	40	KFAB	
Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1	103012316	MTXQENWKBGCRTA-UHFFFAOYSA-N	539.658	2.658	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c2ccc(F)cc2)cc1	113633000	FZFCZHGLWMBABF-UHFFFAOYSA-N	561.657	2.871	0	40	KFAB	
CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223960264	JXGIBWDOXADMOX-KRWDZBQOSA-N	568.490	2.930	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	225506030	YZUFTGTVDLQAQF-XMMPIXPASA-N	539.654	2.856	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C	260876795	BPCIBPCRZSCIBS-PMACEKPBSA-N	504.653	2.640	0	40	KFAB	
O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1	408714848	QFAJEIMTYBUQOX-XMMPIXPASA-N	578.068	2.956	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(C)c3C)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1	408864759	ZCIWPFRLBHDZAO-RQLGBQGVSA-N	525.627	2.779	0	40	KFAB	
COc1ccc(CN(Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)C(=S)NCCCN2CCOCC2)cc1	6239755	VDWONABVBGOMDT-UHFFFAOYSA-N	538.670	2.907	0	40	KFAB	
O=C(CSc1ccc2nnc(CCNS(=O)(=O)c3ccccc3)n2n1)Nc1nc2ccccc2s1	8830362	PTQXPRASKXLNRC-UHFFFAOYSA-N	525.641	2.986	0	40	KFAB	
CCOC(=O)c1ccc(NC(=O)CSc2nc(-c3ccc(OC)cc3)nc3c2c(=O)n(C)c(=O)n3C)cc1	11758149	VGUWUUMIXSCCQW-UHFFFAOYSA-N	535.582	2.610	0	40	KFAB	
COc1ccc(-c2nnc(SCC(=O)NN3C(=O)NC4(CCC(C)CC4)C3=O)n2C[C@H]2CCCO2)cc1	14077475	JIWBOTSQTCMDGV-AAUAEINWSA-N	528.635	2.757	0	40	KFAB	
CO[C@H]1O[C@H](CNC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H](OC)[C@H]1NC(=O)c1ccccc1	39945491	AQQYYMVCHAXJFN-OEZIKMGYSA-N	518.566	2.827	0	40	KFAB	
COc1ccc(NC(=O)Cn2c3cc(=O)n(CCN4CCOCC4)c(C)c3c(=O)n2-c2nc3ccccc3s2)cc1	97948487	VGXQEHZDZWJOTM-UHFFFAOYSA-N	574.663	2.852	0	40	KFAB	
CCOc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)S(C)(=O)=O)cc1	216282496	PIMYFVYJYRWLRT-KRWDZBQOSA-N	533.632	2.778	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	222652223	XEFCJFKNRGZHTI-CQSZACIVSA-N	532.446	2.940	0	40	KFAB	
COc1ccc(OC)c(N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c1	223107950	NCOJKGVIGQOPDH-IBGZPJMESA-N	519.664	2.844	0	40	KFAB	
CC(C)Oc1cccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)c1	224407730	KWXGXSBFSFTQCJ-UHFFFAOYSA-N	553.703	2.610	0	40	KFAB	
COc1ccc(S(=O)(=O)NC(C)C)cc1NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1	224662770	OZLGYKLUXLDZSU-UHFFFAOYSA-N	546.052	2.940	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225538727	ARJJIRVITIFYHP-VWLOTQADSA-N	551.665	2.918	0	40	KFAB	
O=C(Nc1nnc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)s1)c1ccc(Cl)cc1Cl	225557944	XWBVWPHRRSSSJN-UHFFFAOYSA-N	578.481	2.919	0	40	KFAB	
COc1ccc(C(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1S(=O)(=O)NCCc1ccccc1	226046192	GJEDKGXSKOTOQX-UHFFFAOYSA-N	571.721	2.973	0	40	KFAB	
O=S1(=O)NC[C@H](O)CN(Cc2ccc(F)c(F)c2)C[C@]2(COc3cc(-c4ccccc4F)ccc31)C[C@H](O)[C@H](O)C2	253398370	HCUQALANFUDXQU-PJBRVGGZSA-N	592.636	2.807	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1ccc(OC)cc1)[C@H](C)C(=O)NC(C)(C)C)c1ccc2c(c1)OCCO2	260813104	UVAIXKIXJWFWNC-LJQANCHMSA-N	547.674	2.955	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)Cc2ccccc2)cc1	408624243	RXYPPDYAPODIPM-UHFFFAOYSA-N	503.602	2.562	0	40	KFAB	
COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc(Br)c1OCC(=O)O	409021856	CFRSXJMGLUJWFZ-LZYBPNLTSA-N	518.320	2.761	0	40	KFAB	
CCc1ccc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1	409024684	NGLATKSTQCMXMQ-XMMPIXPASA-N	513.641	2.952	0	40	KFAB	
COc1ccc(OC)c(S(=O)(=O)N(Cc2ccccc2)[C@H]2CS(=O)(=O)C[C@@H]2NCc2ccccc2)c1	575423434	QCEFZJGVMCIVSX-ZEQRLZLVSA-N	530.668	2.850	0	40	KFAB	
O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(NS(=O)(=O)c2cc(Br)ccc2Br)cc1	575424069	RQQJJMQUUAPJLH-AWEZNQCLSA-N	552.266	2.929	0	40	KFAB	
COc1ccc(CN2CCN(C(C)=O)C[C@](O)(COc3ccccc3)C2)cc1OCCCn1cccn1	585279920	HMWPSCUYYPJSRA-NDEPHWFRSA-N	508.619	2.835	0	40	KFAB	
COc1cccc(CCCNC(=O)[C@@H]2CCC(=O)N3CCC[C@@H]3C(=O)N[C@@H](C(C)C)COc3ccccc3C(=O)N2)c1	643570730	JMZIGQXEDGLGQJ-OYUWMTPXSA-N	578.710	2.847	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(CCOC)c3C)c(=O)n2[C@@H]1c1cccc(OC)c1OC	2174858	MWVLBBYYLRCRLG-DLBLZJNESA-N	539.654	2.880	0	40	KFAB	
O=c1[nH]c2cc3c(cc2cc1CN(CCCO)S(=O)(=O)c1ccc(Br)cc1)OCCO3	6445587	WDTHPSBIILROPL-UHFFFAOYSA-N	509.378	2.635	0	40	KFAB	
Cc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(F)cc2)o1	12715069	RZLNUPXEWRAQCG-KXBFYZLASA-N	501.540	2.548	0	40	KFAB	
Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NCc3ccc(S(=O)(=O)N(C)C)cc3)CC2)c(C)c1	20031757	FDLYTYAZRMMQHF-UHFFFAOYSA-N	507.678	2.579	0	40	KFAB	
COc1cc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCc4ccccc4C3)c(=O)[nH]c2cc1OC	20080582	IEJRIOUCNQWMME-NBGIEHNGSA-N	502.575	2.859	0	40	KFAB	
CCOc1ccccc1N(CC(=O)NCCCN1CCN(C)CC1)S(=O)(=O)c1ccc(SC)cc1	22934598	GBLQCUTWFUGUIJ-UHFFFAOYSA-N	520.721	2.756	0	40	KFAB	
COc1cccc(CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@H](C(=O)NC[C@H]2CCCO2)c2cccs2)c1	100378036	DTBYDXBQXRIHNJ-RLWLMLJZSA-N	583.688	2.967	0	40	KFAB	
O=C(O)c1c(I)c(C(=O)O)c(I)c(C(=O)O)c1I	100502898	YLJAKJSGUDBOHG-UHFFFAOYSA-N	587.829	2.595	0	40	KFAB	
COc1ccc(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1S(=O)(=O)NCc1ccccc1	222909161	ZMICQCJLAYWMET-UHFFFAOYSA-N	517.629	2.985	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O	223002314	YROGULMNZGYBOJ-MRXNPFEDSA-N	526.453	2.777	0	40	KFAB	
C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	223848306	PHRKXENRGJKCTG-MRXNPFEDSA-N	504.008	2.961	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCc1nc(-c2ccc(Cl)cc2)no1	224423486	MMSLKLOTBQTSIJ-UHFFFAOYSA-N	520.995	2.669	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1	224465043	SXIZVKANJMNGMB-IBGZPJMESA-N	620.577	2.751	0	40	KFAB	
CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	224752097	XJAAWNFLUKZZBR-XMMPIXPASA-N	519.623	2.996	0	40	KFAB	
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	265540715	PKWRMUKBEYJEIX-OVRIJGPSSA-N	806.956	2.608	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1	409150298	BGLHBGJCEKANMT-GWXSLXSZSA-N	686.581	2.816	0	40	KFAB	
COCCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)Cn1c(C)nc2cc(OC)c(OC)cc2c1=O	524731039	IAFRQKUJHDJNST-NZQKXSOJSA-N	500.640	2.852	0	40	KFAB	biogenic
COCC(=O)N1CCN(Cc2ccc(OCCn3c(=O)n(C)c4ccccc43)cc2)C[C@](O)(COc2ccccc2)C1	585272150	GSMOQPIBKFPHQN-JGCGQSQUSA-N	574.678	2.520	0	40	KFAB	
Cc1nn(CCNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)CC(=O)N(C)CC(=O)N[C@H](Cc3ccccc3)COc3ccccc3C(=O)N2)c(C)c1C	643574722	MHXKRPIOOISQBP-CWTKIQHKSA-N	721.859	2.720	0	40	KFAB	
O=C(COC(=O)C12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	3218025	XSZXRAZHMXIUBW-WDXRGRCHSA-N	541.464	2.923	0	40	KFAB	
COc1ccc(S(=O)(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3CN2CCN(c3ccccc3OC)CC2)cc1	8635629	MHULCISMAKAJNV-RJGXRXQPSA-N	514.692	2.515	0	40	KFAB	biogenic,in-vitro
O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)N1CCN(c2cccc(C(F)(F)F)c2)CC1	12538824	NODDSPSERLHADX-UHFFFAOYSA-N	503.568	2.679	0	40	KFAB	
C[C@@H](NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1)c1ccccc1	13614663	OQVRADSRCREGMR-YKSBVNFPSA-N	513.641	2.628	0	40	KFAB	
CN(C(=O)CSc1nc2ccc(Br)cc2c(=O)n1Cc1ccco1)[C@H]1CCS(=O)(=O)C1	17527531	YGNVWLHDAQDCLN-AWEZNQCLSA-N	526.434	2.538	0	40	KFAB	
CCc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1	20676742	PIGHTPPSWMZNBJ-HSZRJFAPSA-N	531.579	2.746	0	40	KFAB	
COc1ccc(C(=O)N[C@H]2CC[C@]3(C)CC[C@H]([C@H](C)C(=O)NCCN4CCOCC4)[C@H](O)[C@H]3[C@@H]2C)cc1	67898866	OQFXPVHEPAYUFY-AZCBIJCDSA-N	515.695	2.701	0	40	KFAB	biogenic,in-vitro
COc1ccc(CCN(C(=O)Cn2nnc(-c3ccc(OC)c(OC)c3)n2)[C@H](C)C(=O)NC2CCCC2)cc1OC	100276309	QMYAQKUXKRCPSO-LJQANCHMSA-N	566.659	2.893	0	40	KFAB	
COc1ccccc1[C@@H]1c2sc(=O)[nH]c2S[C@H]2[C@@H]3C[C@H]([C@H]4C(=O)N(CCCC(=O)O)C(=O)[C@H]34)[C@@H]21	101175508	XVVGVKNGWMLMJP-JRVHKOJNSA-N	500.598	2.783	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	223970428	YTDLUPREIITEHN-MRXNPFEDSA-N	536.448	2.927	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	225222599	LZNDHIMYKHJQDR-QZTJIDSGSA-N	523.627	2.941	0	40	KFAB	
Cc1ccc(C)c(N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)C)S(=O)(=O)N(C)C)c1	260887054	QBLWVPLWMXYYIC-HXUWFJFHSA-N	506.644	2.997	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	261001266	RRJLLUBPVGDDNW-UGKGYDQZSA-N	517.648	2.946	0	40	KFAB	
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	265540720	PKWRMUKBEYJEIX-XVAOYBESSA-N	806.956	2.608	0	40	KFAB	
COc1ccc(NC(=O)COC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c(OC)c1	408683754	ITPSFPFSTNDSQN-KXAAMDFLSA-N	506.555	2.828	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\Nc3cccc(C(=O)O)c3C)c(=O)n2[C@@H]1c1cccc(OC)c1	408878202	YDENOCXLBSOWQF-VLOXRPPESA-N	507.568	2.835	0	40	KFAB	
COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(OCC(=O)O)cc4)c(=O)n32)cc1	408983964	LMPZMGCYZKFANX-QYAMMSNYSA-N	522.579	2.659	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3F)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409033434	FICXRMQFPYAYQB-WDONWYDGSA-N	554.596	2.888	0	40	KFAB	
CC(=O)O[C@@H]1[C@@H](O[C@@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@H]([C@@]6(C)CC[C@@H](C(C)(C)O)O6)[C@@H](O)C[C@@]3(C)[C@@H]5C[C@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@@H]3O)[C@@H]4C2(C)C)OC[C@@H](O)[C@H]1OC(C)=O	605854530	TZHGYWCJIXHMJK-SHXFWKSWSA-N	839.029	2.505	0	40	KFAB	
Nc1c(S(=O)(=O)c2ccc(Cl)cc2)c2cnn(-c3ccccc3)c(=O)c2n1CCCN1CCOCC1	938257	VGDQOSXUPHTIDQ-UHFFFAOYSA-N	528.034	2.978	0	40	KFAB	
CSCC[C@H](NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)C(=O)NCCc1c[nH]c2ccccc12	2095376	RBRLXUWJUCHHKW-RFWXGWTQSA-N	507.660	2.939	0	40	KFAB	biogenic
COc1ccccc1-c1nnc(SCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)n1N	12604812	GHDULIXTHRDCGL-UHFFFAOYSA-N	516.649	2.881	0	40	KFAB	
Cc1ccc(N(C(=O)C[S@](=O)CC(=O)Nc2ccc3c(c2)OCO3)[C@@H](C)C(=O)NC2CCCC2)cc1	12709584	RPQZFLFJJLNZBK-DVBGFMBJSA-N	513.616	2.891	0	40	KFAB	
CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(Cc4ccccc4)CC3)cc2c1	19940371	XSXVBNBEMWQPQK-IGKIAQTJSA-N	529.645	3.000	0	40	KFAB	
COc1ccc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4ccccc4OC)CC3)c(=O)[nH]c2c1	19940445	FISFPXIUHLKKTA-RLWLMLJZSA-N	531.617	2.622	0	40	KFAB	
CCOc1ccc(N(CC(=O)NCCCN2CCN(C)CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1	22935095	RJPNSGBXQLTMRM-UHFFFAOYSA-N	509.072	2.688	0	40	KFAB	
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3F)CC2)NC(=O)N[C@H]1c1ccc(OC)c(COC)c1	98045778	ZSZTXDFJCDOEBE-VWLOTQADSA-N	540.592	2.610	0	40	KFAB	
COC(=O)Cn1c(=O)c(C(=O)COC(=O)CC(c2ccccc2)c2ccccc2)c(N)n(Cc2ccccc2)c1=O	103100573	MCRBIZFUFPBOCD-UHFFFAOYSA-N	555.587	2.762	0	40	KFAB	
Cc1ccc(C)c(N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)N(C)C)c1	224664145	QBLWVPLWMXYYIC-FQEVSTJZSA-N	506.644	2.997	0	40	KFAB	
CCCC1=C(C(=O)OCC)[C@H](c2ccc3c(c2)OCO3)n2c(s/c(=C3/C(=O)N(CC(=O)OCC)c4ccccc43)c2=O)=N1	409387281	IEBSMKIISFSBHP-DHJMZRGKSA-N	603.653	2.587	0	40	KFAB	
O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4cc(-c5ccccc5)ccc41)CC[C@@H]3O)N(Cc1ccncc1)C2	514287467	DTDNDSPMVPGXTM-MBFGAFETSA-N	556.663	2.929	0	40	KFAB	
NC(=O)c1c(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)sc2c1CCC2	2657314	HFIFYWPACZUPCD-UHFFFAOYSA-N	518.661	2.599	0	40	KFAB	
CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OC)n2c(s/c(=C/c3ccc(N4CCN(C)CC4)o3)c2=O)=N1	8399876	OEWUZHLXJBVKDD-JNCGISBCSA-N	550.681	2.932	0	40	KFAB	
COc1ccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4ccc(F)cc4)CC3)c(=O)[nH]c2c1	19940440	TWUBEGKCYDFNLS-RCZVLFRGSA-N	519.581	2.753	0	40	KFAB	
COc1ccc(CN2CCN([C@@H](c3cc4ccc(OC)cc4[nH]c3=O)c3nnnn3C[C@H]3CCCO3)CC2)cc1	22867603	KFQACXKXNOWHEG-SQHAQQRYSA-N	545.644	2.618	0	40	KFAB	
CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3ccccc3)C(=S)N2CCCN2CCC(C(N)=O)CC2)cc1	98005909	PMQUGNVSXYSXIE-RUZDIDTESA-N	551.713	2.999	0	40	KFAB	
COC(=O)Cc1cc(OC)c(OC)cc1S(=O)(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1	100682792	BWVSBTBLHKPLKL-UHFFFAOYSA-N	537.944	2.997	0	40	KFAB	
CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)COC(=O)c2cccc(S(=O)(=O)NC)c2)nc1C	103085601	UFCKQGHPPKLIKD-UHFFFAOYSA-N	531.612	2.927	0	40	KFAB	
CC(=O)N[C@@H]1[C@H](Oc2cccc(Nc3nc(-c4ccc(C)cc4)nc4ccccc34)c2)O[C@@H](CO)[C@@H](O)[C@H]1O	103677703	DTQGGFOPSZLQAV-LGUFPPMKSA-N	530.581	2.671	0	40	KFAB	
CN(C)S(=O)(=O)N(Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1)c1ccccc1F	113490165	CJJQMJNQKGGXIR-UHFFFAOYSA-N	560.673	2.785	0	40	KFAB	
COc1ccc(C(=O)N2CCc3ccc(NC(=O)COc4ccc(S(=O)(=O)N5CCOCC5)cc4)cc32)cc1	222711249	AOOYROFELCGRMF-UHFFFAOYSA-N	551.621	2.937	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C	222867321	PXRGEAUUZVXIOU-SANMLTNESA-N	538.670	2.694	0	40	KFAB	
COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)cc1	222934739	LNROSEAXLWMAMM-QFIPXVFZSA-N	625.700	2.557	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)cc1	223071522	WYWYFCNSKCBSAR-SFHVURJKSA-N	535.663	2.810	0	40	KFAB	
CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	223122758	KCXRQQHHZMNYPV-LJQANCHMSA-N	512.028	2.677	0	40	KFAB	
COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NCCc2ccccc2)cc1	223255929	DXIWPDBCHUHGSP-MHZLTWQESA-N	537.682	2.885	0	40	KFAB	
CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O	224078415	ZMOFISMKVXLNTM-IBGZPJMESA-N	503.621	2.557	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	225368663	GISSQSFXBFZFET-RBUKOAKNSA-N	522.643	2.779	0	40	KFAB	
CNS(=O)(=O)c1ccc(C)c(NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1	226027144	DXGHIKDCNPTHAL-UHFFFAOYSA-N	505.593	2.872	0	40	KFAB	
CCOc1cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)cc(I)c1OCC(=O)O	409066313	BPABZYZMAYOSDK-PBJWJZLWSA-N	535.312	2.751	0	40	KFAB	
COc1cccc([C@@H]2[C@@H](C(C)C)CN(C(C)=O)C[C@H](OC)[C@@H](O)[C@@H](O)COCCCCN2C(=O)CN2CCC(c3ccncn3)CC2)c1	643584769	KAPWCUZSQRSNKE-ZGDJHFLISA-N	669.864	2.902	0	40	KFAB	
C[C@H](OC(=O)[C@H](C)Oc1ccc(-c2coc3cc(O[C@H](C)C(=O)O[C@H](C)C(=O)O)c(O[C@@H](C)C(=O)O[C@@H](C)C(=O)O)cc3c2=O)cc1)C(=O)O	725395251	XUAMFDSEHVKHRD-UIFYRBHJSA-N	702.618	2.811	0	40	KFAB	
CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2CC[C@@]3(C)[C@H]2[C@@H](O)C[C@H]2[C@]4(C)CC[C@@H](O)C(C)(C)[C@H]4[C@H](O[C@@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)C[C@@]23C)O1	1529054684	PSOUXXNNRFNUAY-SMNAEZSUSA-N	654.882	2.507	0	40	KFAB	
Cn1c(N)c(C(=O)COC(=O)c2ccc(Cl)c(S(=O)(=O)N(Cc3ccccc3)c3ccccc3)c2)c(=O)n(C)c1=O	3412851	DCYWNJZWGCTNDI-UHFFFAOYSA-N	597.049	2.755	0	40	KFAB	
CCOC(=O)c1ccc(S(=O)(=O)N(Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)C[C@H]2CCCO2)cc1	6195179	SXKQQIMJDSKDDX-HXUWFJFHSA-N	528.583	2.846	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1	8818848	UZNIHDSUZYKAIC-YMSBRDKKSA-N	520.563	2.649	0	40	KFAB	
Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(O)cc2)c(C)c1	12473989	PFEYKUIBCNWITE-GCJKJVERSA-N	523.615	2.830	0	40	KFAB	
Cc1cccc(N(C(=O)C[S@](=O)CC(=O)Nc2ccc3c(c2)OCO3)[C@@H](C)C(=O)NC2CCCC2)c1	12709548	JCIFNFBIRDXASH-DVBGFMBJSA-N	513.616	2.891	0	40	KFAB	
CCCCCN(C(=O)CCC(=O)OCC(=O)Nc1cccc(CC)c1)c1c(N)n(CCCC)c(=O)[nH]c1=O	12889438	RFTJZPIPLZXILE-UHFFFAOYSA-N	529.638	2.967	0	40	KFAB	
COc1ccc(C(=O)N/C(=C\c2cn(C)c3ccccc23)C(=O)NCCCN2CCOCC2)cc1OC	19720246	PWQZPLSGMPQSPE-QJOMJCCJSA-N	506.603	2.805	0	40	KFAB	
Cc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2c1C	22872769	HQNGPAHKWGDDQO-NEKDWFFYSA-N	557.655	2.946	0	40	KFAB	
Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2nc(Cl)ccc2Cl)cc1S(=O)(=O)N1CCOCC1	32638798	PNTIVPZNWJMFDG-CYBMUJFWSA-N	502.376	2.902	0	40	KFAB	
COC(CNC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C)OC	49942362	HILGGRLSUGSIMC-HSONZMSHSA-N	533.662	2.877	0	40	KFAB	
O=C1c2c(O)cc(O)cc2O[C@]12c1c(cc(O)c3c1O[C@H](c1ccc(O)cc1)[C@H](O)C3)O[C@@]2(O)c1ccc(O)cc1	67912381	PAUVEHXCLNBAPG-GLQAYRDCSA-N	558.495	2.960	0	40	KFAB	biogenic,in-vitro
CS(=O)(=O)N1CCN(C(=O)CSC2=NN/C(=C3\C=Nc4ccccc43)N2c2ccc(Cl)cc2)CC1	97981151	WVXCZZTWKAKHEA-QOCHGBHMSA-N	531.063	2.942	0	40	KFAB	
COC(=O)C1=C(C(=O)OC)SC2(S1)C(C(=O)OC)=C(C(=O)OC)SC1=C2c2cc(OC)ccc2N(C(=O)CN2C(=O)CCC2=O)C1(C)C	98048801	OWBNUOJVEBYXIQ-UHFFFAOYSA-N	718.784	2.761	0	40	KFAB	
Cn1c(SCC(=O)Nc2nc3c(s2)CCCC3)nnc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1	100306904	WEMJKSCRIYMTPJ-UHFFFAOYSA-N	534.689	2.569	0	40	KFAB	
O=C(CSc1nnc(CCN2C(=O)c3cccc4cccc(c34)C2=O)n1-c1ccccc1)N1CCN(CCCO)CC1	101376787	UZZXWBOPQPSZCC-UHFFFAOYSA-N	584.702	2.878	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)[C@@H](C)C(=O)NC2CCCC2)cc1	224063224	ULZPATBCOPRGPK-FQEVSTJZSA-N	516.664	2.784	0	40	KFAB	
CCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1OCC)S(C)(=O)=O	224568817	LGCLDRAIGAMLME-OAQYLSRUSA-N	505.637	2.803	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)NCc1ccccc1CN1CCOCC1	225792543	OEUHQMULGZBQMQ-UHFFFAOYSA-N	515.676	2.951	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)[C@H](C)C(=O)NC(C)C)cc1	260733940	LDLFQNMLSSEVTP-LJQANCHMSA-N	505.637	2.720	0	40	KFAB	
CN(c1ccc(CC(=O)N2C[C@H](C(=O)NCCc3ccccc3)Oc3ccccc32)cc1)S(C)(=O)=O	260828319	NYWWWHYJRDRDSK-RUZDIDTESA-N	507.612	2.778	0	40	KFAB	
COc1cccc(OC)c1C(=O)NN1C[C@@H](C(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)CC1=O	408654073	JJAKCYABSPKHJB-LBPRGKRZSA-N	510.330	2.686	0	40	KFAB	
CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2OC)C(C(=O)OCC)=C(C)N=3)cc1OC	408927484	PSBWAOBMDONJMU-CJIXEESDSA-N	596.658	2.766	0	40	KFAB	
COc1ccc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)cc1S(=O)(=O)N(C)Cc1ccccc1	3355089	QLSWWFAOONTXMF-UHFFFAOYSA-N	523.567	2.658	0	40	KFAB	
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)OCC(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)cc1C	3363666	KEQFJNVQBQHMOW-UHFFFAOYSA-N	517.585	2.547	0	40	KFAB	
CC[C@H](C(=O)Nc1ccc2c(c1)OCO2)N(Cc1cccnc1)C(=O)CN1C(=O)C(=O)c2ccccc21	8695864	RQRIWNHXEGDDJN-HXUWFJFHSA-N	500.511	2.786	0	40	KFAB	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1	16606983	SNCWOVSTPBCGDM-HVUZKSCUSA-N	507.612	2.961	0	40	KFAB	
COc1ccc2ccccc2c1CC1(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)C(=O)N(C)C(=S)N(C)C1=O	70670042	MJSDHWVSIRVBBF-CTNGQTDRSA-N	544.677	2.874	0	40	KFAB	
O=C(C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O)OCc1ccccc1	70704840	LHMZSZQZEKQQFH-DQEYMECFSA-N	554.559	2.658	0	40	KFAB	biogenic
O=C(Cn1c(=O)c2oc3ccccc3c2n(CC(=O)N[C@@H]2CCc3ccccc32)c1=O)NC1CCCC1	72332084	OXTPLYGCLJXWPU-OAQYLSRUSA-N	500.555	2.772	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1C	103063703	AXZNUGFKQPCVNX-UHFFFAOYSA-N	568.077	2.808	0	40	KFAB	
COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)S(C)(=O)=O	139687456	ROHCULBFISJMHF-UHFFFAOYSA-N	525.008	2.949	0	40	KFAB	
CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	223203817	IEBBLRKVJWJRKG-DEOSSOPVSA-N	519.623	2.916	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	223485747	DJJWNBNOKWSUGZ-LJQANCHMSA-N	535.663	2.812	0	40	KFAB	
CSc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C(=O)N1CCC(C)CC1	224471564	KJYGAVSJDGIFAB-UHFFFAOYSA-N	597.781	2.659	0	40	KFAB	
CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	224999145	BUUKGYSZDOFMEV-SFHVURJKSA-N	519.620	2.524	0	40	KFAB	
CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	225082844	QLOUIEFZTJJQON-NRFANRHFSA-N	505.637	2.803	0	40	KFAB	
CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	225444167	KSTFDOSSTIVVCV-JOCHJYFZSA-N	517.648	2.948	0	40	KFAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)OCCO4)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	409105275	LZOUMROGFVDWGV-KMBIYUNPSA-N	549.649	2.892	0	40	KFAB	
COc1cccc(CN2C[C@@H]3C[C@H]2C(=O)NC[C@H]2O[C@H](CCOc4cc(-c5ccncc5)ccc4C(=O)N3)CC[C@@H]2O)c1	514287504	HDTPNHATLHRIAH-VIWJNQTASA-N	586.689	2.937	0	40	KFAB	
COc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)/C=C/c3ccc(OC)c(OC)c3)cc2)nc(OC)n1	6088770	VMMYGURRJAGUEX-WUXMJOGZSA-N	559.626	2.838	0	40	KFAB	
O=C(CSc1nc2ccc(N3CCOCC3)cc2c(=O)n1CCc1ccccc1)NC[C@@H]1CCCO1	9473702	GJKRCJKXXVVAMV-QFIPXVFZSA-N	508.644	2.863	0	40	KFAB	
Cn1c(=O)c2c(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)nc(-c3ccco3)nc2n(C)c1=O	11758275	NAFYZXXYNOBXCU-UHFFFAOYSA-N	507.450	2.917	0	40	KFAB	
COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(C)cc2)c1	12706234	MHJVWYBKLHGAAD-UGKGYDQZSA-N	523.615	2.825	0	40	KFAB	
CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)N[C@H](C(=O)O)c2ccccc2)CC1	12865069	SHFUECUZXIUHFD-IGKWTDBASA-N	529.659	2.869	0	40	KFAB	biogenic
CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)CC2)cc1	13114450	BLPIJVZJFVBKLN-FQEVSTJZSA-N	525.675	2.943	0	40	KFAB	
COCCNC(=O)c1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1	19855845	VMRFBHGNSFNJML-UHFFFAOYSA-N	527.599	2.914	0	40	KFAB	
O=C1[C@@H]2[C@H](Cc3ccc(O)cc3)N[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C(=O)N1Cc1ccc2c(c1)OCO2	70701458	USLUCCCHZMUGNA-ZIIYKKPRSA-N	531.952	2.938	0	40	KFAB	biogenic
CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)c1	103049888	IVAPQGUHKCRTNO-UHFFFAOYSA-N	530.068	2.952	0	40	KFAB	
CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O	223444476	ZDFFTGNJWWDRCR-NRFANRHFSA-N	519.620	2.524	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C)cc1	224464659	CEXLOCANXQFQOB-IBGZPJMESA-N	535.663	2.668	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	224754305	UYIDXFHMKQYIIL-LJQANCHMSA-N	505.637	2.722	0	40	KFAB	
Cc1cc(C)c2[nH]c(CCC(=O)N3CCC4(CC3)COC[C@@](C)(O)[C@H](n3cnc5c(N)ncnc53)C4)nc2c1	257330490	XOQXPKXILVFXLW-NFQMXDRXSA-N	532.649	2.856	0	40	KFAB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(O)c(OCC)c3)c2=O)=N[C@H]1c1ccc2c(c1)OCO2	408730572	IECGVNYRVZDSJV-YOURIZNBSA-N	508.552	2.740	0	40	KFAB	
COc1cccc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c1OCc1cccc(C(=O)O)c1	409124983	CXMCNRGEQKANRO-DEDYPNTBSA-N	512.540	2.868	0	40	KFAB	
CN(c1cccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)c1)S(C)(=O)=O	409175371	YFVWKGIOHAZSQL-UHFFFAOYSA-N	549.602	2.827	0	40	KFAB	
COC(=O)c1ccccc1NC(=O)[C@@H](OC(=O)c1ccc(OC(C)=O)c(OC)c1)[C@H](OC(=O)c1ccc(OC(C)=O)c(OC)c1)C(=O)O	409383512	WBICTHMRHGOEAE-SVBPBHIXSA-N	667.576	2.815	0	40	KFAB	
Cc1nn(C)c(C)c1CCNC(=O)[C@@H]1CCC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)COc2ccccc2C(=O)N1	643570991	PXVOBKNSROEGSR-MSLLRLGPSA-N	596.773	2.729	0	40	KFAB	
CO[C@@H]1CN(C(=O)c2ccccc2F)C[C@@H](CC(C)C)N(C(=O)CN2CCC(Oc3ccccn3)CC2)CCCCOC[C@@H](O)[C@H]1O	643586618	AUPVOZJVDXGMJG-IPKYDJNASA-N	658.812	2.997	0	40	KFAB	
N[C@@H](CCC(=O)N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NCC(=O)O)C(=O)O	5067022	WLSQFRDQFMRSMZ-ZEQRLZLVSA-N	549.649	2.589	0	40	KFAB	
COc1ccc(-c2coc3cc(O[C@@H]4O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]4OC(C)=O)ccc3c2=O)cc1	59677439	FTCLAIAXKAGMBI-AEZBWTHASA-N	598.557	2.931	0	40	KFAB	biogenic,in-vitro
COc1cc(OC)c(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1	59722860	DSFIMOZXIIRXDD-UHFFFAOYSA-N	614.790	2.717	0	40	KFAB	
COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)C1	59838813	IFJLYPJGDWPYQU-LJQANCHMSA-N	556.106	2.850	0	40	KFAB	
Cn1c([C@H](C(=O)NC[C@H]2CCCO2)N(Cc2ccc(F)cc2)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)nc2ccccc21	100378080	MEEMPYVBLJGDCJ-SKCUWOTOSA-N	619.675	2.922	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCC(N(C)C)CC4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	105498127	IGOZQEDLRUFNGA-ZEKHAJRLSA-N	580.707	2.939	0	40	KFAB	
CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	225120515	FSIAPHBYPJWECQ-OAQYLSRUSA-N	503.621	2.823	0	40	KFAB	
CN(CC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCc1ccccc1)S(C)(=O)=O	260716745	FGJFWSCFQFZCDK-RUZDIDTESA-N	511.619	2.973	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCCCN1c2ccccc2C[C@H]1C	260764766	MFJLRWWOAQFHQX-HXUWFJFHSA-N	501.649	2.606	0	40	KFAB	
CC[C@@H](C(=O)N[C@H](C)CC)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	260945790	JELZLFDRZLTDNW-OFNKIYASSA-N	531.675	2.988	0	40	KFAB	
CCOc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)c(Br)cc1OCC(=O)Nc1ccccc1	408548580	JAJVXQVKODUEFY-RQZCQDPDSA-N	532.347	2.931	0	40	KFAB	
CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCCc2ccccc2)CC(=O)N[C@@H](Cc2ccccc2)C1=O	643566900	ZAJBNWWIKIXHKF-SVBPBHIXSA-N	556.663	2.502	0	40	KFAB	
O=C(CCn1c(SCc2cc(=O)n3ccccc3n2)nc2cc3c(cc2c1=O)OCO3)NCc1ccc2c(c1)OCO2	2975579	CMFOHOKUMLUZJB-UHFFFAOYSA-N	585.598	2.861	0	40	KFAB	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N3CCOCC3)n2-c2ccccc2)c1	3222580	QYSFPEOKHOHWQH-UHFFFAOYSA-N	515.661	2.916	0	40	KFAB	
COc1ccc(S(=O)(=O)N2C[C@@H]3C[C@H](C2)c2ccc(NS(=O)(=O)c4cccc(F)c4)c(=O)n2C3)cc1	4150103	AZEKPPITOKSWEI-DLBZAZTESA-N	533.603	2.605	0	40	KFAB	biogenic,in-vitro
CCN(CC)C(=O)CSc1nc2cc3c(cc2c(=O)n1CCCC(=O)NCc1ccc2c(c1)OCO2)OCO3	8673628	MWNJISNZVNQYCZ-UHFFFAOYSA-N	554.625	2.911	0	40	KFAB	
COc1cc(/C=C/C(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc(OC)c1OC	66138408	PBHAMLDSWWOFRD-QPJJXVBHSA-N	555.005	2.582	0	40	KFAB	
Cn1c(=O)c2c(nc(SCC(=O)NCc3cccs3)n2Cc2cccc(C(F)(F)F)c2)n(C)c1=O	98008014	SCEYWBKHXQVJNW-UHFFFAOYSA-N	523.562	2.971	0	40	KFAB	
COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(F)cc2)cc1OC	100309855	GARJFSUJRASRPY-HTAPYJJXSA-N	557.604	2.664	0	40	KFAB	
C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)C1=O	103027487	TUFXGCNJJPBQBQ-SANMLTNESA-N	541.029	2.793	0	40	KFAB	
CCOC(=O)C1=C[C@@H]2C=C[C@H]([C@H]3C(C(=O)OCC)=C(C(=O)OCC)C(C(=O)OCC)=C(C(=O)OCC)[C@]23OCC)[C@H]1C(=O)OCC	150706240	RXNVFICWEXYGQG-NMKMIOFCSA-N	646.686	2.722	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1	224457220	GEESGWOREXXIQH-UHFFFAOYSA-N	586.132	2.734	0	40	KFAB	
CNc1nc(-c2ccc(OC)c(NC(=O)COc3ccc(S(=O)(=O)N4CCOCC4)cc3)c2)cs1	226076991	AAQGNSQXTIVNCN-UHFFFAOYSA-N	518.617	2.899	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(S(=O)(=O)NC)ccc3C)C2)cc1C	260737085	JTDLEDBOFDIECQ-SFHVURJKSA-N	509.650	2.650	0	40	KFAB	
COc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)C(c3ccccc3)c3ccccc3)C2)c1	408657855	PMNQFHVNUPFHFZ-NRFANRHFSA-N	501.539	2.889	0	40	KFAB	
CC(=O)N[C@@H]1[C@H](Sc2nnc(COc3ccccc3C)n2-c2ccccc2)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	504223146	OKYFYXJXMVBPKJ-ZHIRGERTSA-N	626.688	2.903	0	40	KFAB	biogenic
COc1ccc(C(=O)N[C@H](C)c2cccc(S(N)(=O)=O)c2)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C	514391060	YOTWZLLAFFQZDQ-YRNRMSPPSA-N	509.650	2.691	0	40	KFAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCOCc2ccccc2Cl)CC(=O)N[C@H](CC(C)C)C1=O	643578924	JIMHFZXALCTSKG-LOSJGSFVSA-N	587.117	2.933	0	40	KFAB	
CCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(C)c1	20032789	PIYXXCNISYOZAY-UHFFFAOYSA-N	523.677	2.553	0	40	KFAB	
O=C(Nc1ccccc1C(=O)N1CCOCC1)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1	26113313	LBQWVVMIJJIUMM-VWLOTQADSA-N	521.595	2.895	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nc3ccccc3c(=O)n2CCCN2CCOCC2)c1	38145502	YAPGAIJNQGAXSQ-UHFFFAOYSA-N	580.132	2.753	0	40	KFAB	
COc1cc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)ccc1-n1cnnn1	100336811	IOQKLWVQTPHLIQ-DFHRPNOPSA-N	585.600	2.624	0	40	KFAB	
O=c1nc(O)n(CCc2ccc(F)cc2)c(O)c1[C@@H](c1ccncc1)c1c(O)[nH]c(=O)n(CCc2ccc(F)cc2)c1=O	102543131	FLNONIKEZUGFFJ-QFIPXVFZSA-N	589.555	2.549	0	40	KFAB	
C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	222886996	NESSFASZGWBRNH-QGZVFWFLSA-N	521.611	2.695	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	222980280	CYLIHJFYIVRINJ-GOSISDBHSA-N	521.611	2.697	0	40	KFAB	
COC(=O)CSc1nnc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Br)cc3)CC2)s1	225571099	KGIDFDWWQZDDKP-UHFFFAOYSA-N	549.494	2.746	0	40	KFAB	
C[C@@H]1CCCCN1c1cc(N2CCN(c3ccccc3)CC2)nc(NC(=S)NCCN2CCOCC2)n1	225904477	URKSGVUPVBQHCA-JOCHJYFZSA-N	524.739	2.801	0	40	KFAB	
Cn1c(SCC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)nnc1-c1cc(Br)ccc1O	408541940	GRBGNVCKPVOQJU-UHFFFAOYSA-N	503.382	2.871	0	40	KFAB	
CCN(CC)C(=O)C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1CN(C(=O)N1CCOCC1)CC2=O	514287603	PVOKPKGGGKFMRY-IKUOTUDNSA-N	512.651	2.613	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OCCCn3ccnc3C)c(OC)c2)C[C@@](O)(COc2ccccc2)C1	585280794	SMXCABWLLMPLQY-PMERELPUSA-N	552.672	2.770	0	40	KFAB	
Cc1cc(OC[C@]2(CC(=O)N3CCN(C)CC3)CN(C(=O)CC[C@@H]3CCCO3)CCO2)ccc1Cl	585285642	LWACPBCSCOORBW-LVXARBLLSA-N	508.059	2.748	0	40	KFAB	
O=C(COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)Nc1ncc(C(F)(F)F)cc1Cl	8685848	RDOKCDFJBVLZRO-UHFFFAOYSA-N	507.874	2.570	0	40	KFAB	
CCCNC(=O)[C@H](C)NC(=O)C1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)CC1	8952670	WSXLBHUODQJZTO-MBSDFSHPSA-N	527.666	2.873	0	40	KFAB	biogenic
Cn1c(=O)c(=O)n(C)c2cc(N3CCOCC3)c(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)cc21	9645722	LAMUXWMTBCGEDW-UHFFFAOYSA-N	512.632	2.922	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)Nc4ccccc4)cc3)CC2)cc1	12536122	HIGAXYSWPVOFKC-UHFFFAOYSA-N	515.613	2.643	0	40	KFAB	
CC(C)CN(C(=O)COC(=O)c1cnc(Cl)c(Cl)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	23079002	FIVQURGWNIKJMT-UHFFFAOYSA-N	520.373	2.715	0	40	KFAB	
O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1	60061004	KTPQMNOLMAUVKK-OAQYLSRUSA-N	543.671	2.891	0	40	KFAB	
COc1c2c(c(C)c3c1C(=O)OC3)O[C@]1(C)C[C@@H](O)[C@@]34O[C@@](OC)(C[C@H](OC(C)=O)[C@]3(C)[C@@H]1C2)OC4(C)C	72320101	WDGSJYYXVXQQHP-DIOSQZLOSA-N	532.586	2.955	0	40	KFAB	biogenic,in-man
CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC(=O)N(c2ccc(I)cc2)C1=O	102815742	KUSAXJSMJBNVIV-QGZVFWFLSA-N	553.422	2.989	0	40	KFAB	
COc1ccccc1C(=O)NN1C[C@@H](C(=O)OCC(=O)Nc2cc(C)c(Br)c(C)c2)CC1=O	138688124	VMUYCEYLEDDGSY-HNNXBMFYSA-N	518.364	2.750	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1	222853578	OXPYKULIMDIRAH-FQEVSTJZSA-N	553.637	2.825	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	223508295	HSDWASYLVQVPSD-SFHVURJKSA-N	501.605	2.563	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)cc1	224260956	GTEQFHAVTDPYJJ-UHFFFAOYSA-N	517.629	2.571	0	40	KFAB	
CN(c1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(Cl)c1)S(C)(=O)=O	224414385	PPJPBFZSANNKNR-UHFFFAOYSA-N	530.068	2.719	0	40	KFAB	
C[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O	224484497	AWEZPRHWDMKGIY-MRXNPFEDSA-N	614.064	2.729	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	225061743	NIFFCIGUFGDQQH-HXUWFJFHSA-N	517.648	2.600	0	40	KFAB	
COc1ccc(S(=O)(=O)NC(C)C)cc1NS(=O)(=O)c1nnc(NC(=O)c2ccccc2C)s1	225123784	FJXRQSSCXVIPAT-UHFFFAOYSA-N	525.634	2.595	0	40	KFAB	
CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	225181315	IYEMZYQRZNPUGC-NRFANRHFSA-N	503.621	2.823	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O	225392618	DSFZNVFOYMWTAP-RBUKOAKNSA-N	505.637	2.802	0	40	KFAB	
CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O	225406650	TXAHMNQEWRHLNB-NRFANRHFSA-N	505.637	2.803	0	40	KFAB	
CN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2/C=C\COc2ccccc2CN(Cc2cccnc2)CC3=O)CC1	514287702	ZRHGJWBOJVZNCT-VRDOGFHWSA-N	517.674	2.661	0	40	KFAB	
CCn1c(=O)n(CC)c2cc(NC(=O)CN3CCO[C@]4(CCCCc5ccccc5OCCNC4=O)C3)ccc21	643554665	NHDRJMBZBXYILN-SSEXGKCCSA-N	549.672	2.774	0	40	KFAB	
COc1c2c(c(C)c3c1[C@H](OC(C)=O)[C@@H]1[C@](C)(C[C@H](O)[C@]4(O)C(C)(C)OC(=O)CC[C@@]14C)O3)COC2=O	1772591537	DPTMJUCCXFJMTQ-LBGIMNOHSA-N	518.559	2.663	0	40	KFAB	
O=C(CN1CCO[C@@]2(CC=CCc3ccccc3OCCNC2=O)C1)Nc1ccc(OC(F)F)cc1	2037884914	HYYDBWUSKYBEDO-SANMLTNESA-N	501.530	2.995	0	40	KFAB	
COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCC2)c2ccncc2)cc1OC	6162721	LSSBMESVKNMOCY-OAQYLSRUSA-N	524.603	2.683	0	40	KFAB	
Cc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccccc1	8451827	XLTFCNCQFIRYKI-UHFFFAOYSA-N	529.640	2.850	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1	12909555	LRMXVPUJQHTYIZ-KRWDZBQOSA-N	516.645	2.865	0	40	KFAB	
CCOC(=O)C1=C(CC)Nc2ccccc2N=C1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1	13683218	KQUMYYNSZXVJNC-UHFFFAOYSA-N	512.588	2.820	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O	20041808	KHJCAJWSJASWKB-UHFFFAOYSA-N	516.041	2.846	0	40	KFAB	
CCCCC1CCC(C(=O)OCC(=O)N(CCOC)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)CC1	24754936	NEJZIISWRGZNRN-UHFFFAOYSA-N	514.623	2.686	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)C2)cc1C	59838580	YYIQYPRIVIWPAR-QFIPXVFZSA-N	549.715	2.895	0	40	KFAB	
O=C1[C@H]2[C@@H](C(=O)N1c1ccc3c(c1)OCO3)[C@@H]1C=Cc3ccccc3N1[C@H]2C(=O)n1nnc2ccccc21	100832148	JFXOONUROAUNGA-WAABAYLZSA-N	505.490	2.890	0	40	KFAB	
O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N1CCN(C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1	105346170	XFYYTWOUAMQGFS-NRFANRHFSA-N	541.073	2.932	0	40	KFAB	
C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)cc2)C[C@@H](C)O1	109123966	ARDVVOZSPFIVHN-HUUCEWRRSA-N	566.639	2.934	0	40	KFAB	
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(F)cc3)S(=O)(=O)N(C)C)cc2)cc1	113515371	HUHULMNPNIPGFO-UHFFFAOYSA-N	536.607	2.887	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	222470690	JCVPPUGUDYLESL-AUSIDOKSSA-N	547.674	2.955	0	40	KFAB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-n1cnnc1	225388276	RHXYRAVWPRRLLC-YADHBBJMSA-N	508.633	2.951	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@@H](Oc2cccc(Oc3ccccc3)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	253531737	FFJCMQMRBBJWRR-HEXNFIEUSA-N	516.499	2.941	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCc3ccc(S(=O)(=O)N4CCCC4)cc3)C2)cc1C	260717623	ORTANQBSSQLXDU-QHCPKHFHSA-N	563.742	2.938	0	40	KFAB	
CSc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2)cc1	408694153	CVXINAFMLHNVQH-UHFFFAOYSA-N	517.673	2.882	0	40	KFAB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4ccc(OC)c(O)c4)c(=O)n32)cc1OCC	408954469	WZMTUQVGNZRYKB-GSFLASDGSA-N	510.568	2.530	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3/C(=O)N(C)c4ccccc43)c(=O)n2[C@H]1c1cc(Br)ccc1OC	409117907	PLWUQSRESVUSML-MRJHHRETSA-N	568.449	2.916	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OCCn3ccnc3C)c(OC)c2)C[C@@](O)(COc2ccc(F)c(F)c2)C1	585274917	RMMJCRTXJYYJFX-LJAQVGFWSA-N	574.625	2.658	0	40	KFAB	
Cn1c(=O)oc2cc(NC(=O)CN3CC[C@@H]4NC(=O)[C@@H](Cc5ccccc5)NC(=O)C5(CC=CC[C@@H]4C3)CCOCC5)ccc21	1615124493	FBIGEPUKMSNHBO-FXVJXKIMSA-N	615.731	2.751	0	40	KFAB	
NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CN(C(=O)Nc2ccccc2)CCN1C(=O)c1cccs1	4277939	QMQMZAMINLVWFB-PKTZIBPZSA-N	544.637	2.801	0	40	KFAB	biogenic,in-vitro
Nc1c(I)c(I)c(S(=O)(=O)O)c(I)c1I	4365954	PQKKLULAWDBRPX-UHFFFAOYSA-N	676.777	2.934	0	40	KFAB	
Cn1c(=O)c2c(nc(N3CCN(c4ccccn4)CC3)n2Cc2ccc(Cl)cc2Cl)n(C)c1=O	8667119	BUXBCVVQDAUDEQ-UHFFFAOYSA-N	500.390	2.510	0	40	KFAB	
Cc1onc(-c2ccccc2Cl)c1C(=O)NCCCS(=O)(=O)N1CCN(c2ccccn2)CC1	12163306	BSYJDFGGPXXPCI-UHFFFAOYSA-N	504.012	2.970	0	40	KFAB	
CCN(CC)C[C@H](O)COc1ccc(S(=O)(=O)c2ccc(OC[C@H](O)CN(CC)CC)cc2)cc1	27529487	LTOPLLSXFRYAET-SZPZYZBQSA-N	508.681	2.682	0	40	KFAB	
CCCCCN(C(=O)CCC(=O)OCC(=O)N1CCCC[C@H]1CC)c1c(N)n(CCCC)c(=O)[nH]c1=O	32944982	ZZVCBTLGMFJLGS-LJQANCHMSA-N	521.659	2.557	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1	44880448	QIZYVZGAJHKBJW-UHFFFAOYSA-N	501.590	2.623	0	40	KFAB	
C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)Cn1cc(I)c(=O)c(I)c1	102218579	UWYZXUODCPCXIG-LLVKDONJSA-N	578.144	2.579	0	40	KFAB	
C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)ccc2Cl)C1	103020720	HYHZEFOPGMEYEA-GOSISDBHSA-N	584.116	2.679	0	40	KFAB	
COc1ccc(Br)c(C(=O)OCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1	103058580	NIHLUXWUSGNWDB-UHFFFAOYSA-N	527.393	2.583	0	40	KFAB	
CCOC(=O)c1c(NC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c2ccc(NC(C)=O)cc2)sc2c1CCCC2	103063250	OALHULCHQQVJAM-CQSZACIVSA-N	551.643	2.611	0	40	KFAB	
CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O	223480509	FNACBRJUJKMNEA-HXUWFJFHSA-N	557.454	2.653	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCC2)cc1	224062540	LWAHZQBQTOMDCV-SFHVURJKSA-N	531.631	2.666	0	40	KFAB	
Cc1ccc(S(=O)(=O)NCCNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	226002465	LSPXMPLFGPFQIR-UHFFFAOYSA-N	536.075	2.934	0	40	KFAB	
COC(=O)/C=C/[C@]12COC(C)(C)[C@@H]1[C@H](O)[C@H](OC(C)=O)[C@]1(C)[C@@H]2CC[C@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]312	252507092	XWOZTQQJYJMHSX-CZNMYLPFSA-N	544.597	2.885	0	40	KFAB	biogenic,in-vitro
COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@H](C)C(=O)NCc2ccc(Cl)cc2Cl)cc1	260719655	LFWFJMUKCYFOEY-OAHLLOKOSA-N	516.447	2.927	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(CC(=O)N4CCCC4)cc3)C2)cc1OC	260743009	NIHOPQGUBOKWFV-FQEVSTJZSA-N	515.632	2.908	0	40	KFAB	
COc1cccc(OC)c1C(=O)NN1C[C@H](C(=O)OCC(=O)Nc2cc(C)c(Br)c(C)c2)CC1=O	408657228	OLSQIXQLCFRWIZ-OAHLLOKOSA-N	548.390	2.758	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCC(=O)OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409041854	VXUBAXSBHXZWHB-YCLJBNKMSA-N	689.139	2.963	0	40	KFAB	
COc1cccc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)c1O[C@H](C)C(=O)O	409249701	OADAZSFGAZLXQY-YUSFRKCESA-N	518.320	2.841	0	40	KFAB	
Cc1cc(=O)oc2c3c(cc(OCC(=O)NCCN4C[C@@H]5C[C@H](C4)Cn4c5cccc4=O)c12)OC(C)(C)CC3	524730773	WZVBLMOZZMXCSH-UXHICEINSA-N	533.625	2.981	0	40	KFAB	biogenic
CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@@]6(O)[C@@H](OC)C[C@@](OC(C)=O)([C@H]5[C@H]6C(=O)c5ccc(OC)cc5)[C@@H]([C@H](OC)[C@H]23)[C@@H]14	606303676	YRECILNLFWZVRM-UCXRSERQSA-N	627.775	2.989	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCOCC4)o3)c(=O)n2[C@@H]1c1ccc(OCC)cc1	8438314	DOVWSTJUAWABGU-MWKGPOOMSA-N	523.611	2.627	0	40	KFAB	
COC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)sc2c1CCN(C)C2	8880762	XEWAWVPHUYHRCI-GASCZTMLSA-N	507.634	2.573	0	40	KFAB	
Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(O)cc2)c1	12473908	HWMVWOPGMJSTNB-GHTZIAJQSA-N	509.588	2.522	0	40	KFAB	
CCN(CC(=O)Nc1cc(OC)c(OC)cc1C(=O)OC)S(=O)(=O)c1ccc(OC)c(Cl)c1	19930342	ZCZOMHVWGVMQJR-UHFFFAOYSA-N	500.957	2.802	0	40	KFAB	
COc1ccccc1NC(=S)N(CCN1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3	19940527	VWTYMLMVZUOFFD-UHFFFAOYSA-N	510.616	2.839	0	40	KFAB	
O=C(Cn1c(=O)c2sccc2n(CC(=O)Nc2cccc(C(F)(F)F)c2)c1=O)NCc1ccco1	20151567	PJAGTTOPEWXACW-UHFFFAOYSA-N	506.462	2.792	0	40	KFAB	
CCN(C(=O)COC(=O)Cc1coc2cc3c(cc12)CCC3)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	32666608	QSEOYYFHITVIMQ-UHFFFAOYSA-N	516.554	2.541	0	40	KFAB	
O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1ccc(F)cc1	102100423	SWLGVJGPECFZSF-MHZLTWQESA-N	543.643	2.889	0	40	KFAB	
CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C1=O	103139627	ZLOBMWCOCGWMFU-MHZLTWQESA-N	538.601	2.669	0	40	KFAB	
COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)NCCNS(=O)(=O)c2ccc(C)cc2)CC1	222613910	YJCOMNVTYVWYBL-UHFFFAOYSA-N	537.704	2.622	0	40	KFAB	
CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O	224070898	WCGLAPSGFORPIK-QGZVFWFLSA-N	557.454	2.653	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)c2ccc(CN(c3ccccc3F)S(=O)(=O)N(C)C)cc2)cc1	224231912	DWQUNAYXDUXGSF-UHFFFAOYSA-N	578.688	2.698	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)c3cc(Cl)ccc3O2)cc1	224246226	CXARUTFICJCXJI-DEOSSOPVSA-N	580.084	2.742	0	40	KFAB	
COc1cccc(CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C)C(=O)NC2CCCCC2)c1	224942910	NLEVKRITYMICKW-SFHVURJKSA-N	513.616	2.706	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCC2)c1	260804277	RGFIBYGHDZFJFU-LJQANCHMSA-N	547.674	2.955	0	40	KFAB	
Cn1c(O)c(C(c2cc(Cl)c(O)c(Cl)c2)c2c(O)n(C)c(=S)n(C)c2=O)c(=O)n(C)c1=S	409104803	IIXKYGPUHKSDOD-UHFFFAOYSA-N	517.416	2.824	0	40	KFAB	
COc1cccc(C(=O)O[C@H](C(=O)NCc2ccccc2)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)O)c1	409370246	NLGXTADDMTXHAH-XZOQPEGZSA-N	507.495	2.856	0	40	KFAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCOc2ccc(C)cc2C)CC(=O)N[C@H](Cc2ccccc2)C1=O	643578583	ACMBDASEUQUAIG-WUFINQPMSA-N	600.716	2.956	0	40	KFAB	
C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(Cl)ccc1OC[C@@H](N)Cc1ccccc1)C(=O)O	2037879768	PBCNVSCWYVSXQC-CFHBPZCVSA-N	554.043	2.580	0	40	KFAB	
CC(=O)c1cccc(N[C@H](NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)C(Cl)(Cl)Cl)c1	956029	JJCGDYMYRSCXIQ-GOSISDBHSA-N	504.779	2.958	0	40	KFAB	
CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)c1	12546673	KSCMFPHLHVNHLQ-UHFFFAOYSA-N	517.604	2.519	0	40	KFAB	
CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(OC)cc2[nH]c1=O)N1CCN(C(=O)c2ccco2)CC1	20080190	VOTWBMVCTKICCN-JOCHJYFZSA-N	505.579	2.809	0	40	KFAB	
COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O	22512646	BJRKYLYTYMGVFZ-UHFFFAOYSA-N	501.602	2.706	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=S)N1CCN(C(=S)Nc2cc(S(=O)(=O)N(C)C)ccc2C)CC1	97981340	MWZHGCASGBWPNB-UHFFFAOYSA-N	598.842	2.515	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(C)(=O)=O	222852243	UCFPGNVOHBDWHW-RUZDIDTESA-N	509.628	2.847	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	223024099	IVHZZJLJGKLCBW-IBGZPJMESA-N	503.621	2.823	0	40	KFAB	
COc1ccc(CCNC(=O)[C@@H](Cc2ccccc2)N(Cc2ccc(OC)cc2)C(=O)CN(C)S(C)(=O)=O)cc1	223255985	BZKHJKJZZZFFJL-MUUNZHRXSA-N	567.708	2.894	0	40	KFAB	
CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	223873833	BAMVTPJWKHLGBX-KRWDZBQOSA-N	507.584	2.654	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C)cc1	260865462	CEXLOCANXQFQOB-LJQANCHMSA-N	535.663	2.668	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cc1	408558553	JRDMEJCPUSNVME-OAQYLSRUSA-N	515.632	2.559	0	40	KFAB	
CCCOc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NCCCN3CCOCC3)CC2=O)cc1	408576933	HJQIOZFWGPHGAO-OAQYLSRUSA-N	508.619	2.919	0	40	KFAB	
CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OCC)=C(C)N=3)cc1	408987084	VNNUPIDQIJZBJR-VNSJDZJPSA-N	506.580	2.740	0	40	KFAB	
COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cc(Br)cc(OC)c3O[C@@H](C)C(=O)OC)C2=O)o1	409398498	BJWLRJDJOBOALU-UXYFDLPDSA-N	537.319	2.871	0	40	KFAB	
CC(=O)N1CCCN(C)CCN(C(=O)CCc2cc(C3CCN(S(C)(=O)=O)CC3)nc(C)n2)Cc2ccccc21	618018119	SZEYXIMAUGSDCI-UHFFFAOYSA-N	570.760	2.574	0	40	KFAB	
O=C1N[C@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)CC(=O)N2CCC[C@@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCOc2ccccc21	643576066	HHMJDOXHXVNADS-XFCANUNOSA-N	727.834	2.796	0	40	KFAB	
COc1ccc(CCN(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC(C)(C)C)c2ccco2)cc1OC	6075037	BIUPJZCJGHNGHW-FQEVSTJZSA-N	529.619	2.775	0	40	KFAB	
Cc1ccc(C(=O)NCCc2nnc3ccc(SCC(=O)NCc4ccc5c(c4)OCO5)nn23)cc1	9578501	IJGFZMLZNZYQSY-UHFFFAOYSA-N	504.572	2.542	0	40	KFAB	
O=C(CSc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)s1)NCc1ccco1	9600065	KAKAWMKSKAZNTQ-UHFFFAOYSA-N	507.619	2.576	0	40	KFAB	
CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1=NN(c2ccccc2)C(=O)CC1	13146449	AEWPFHOKCPLYRO-UHFFFAOYSA-N	500.577	2.616	0	40	KFAB	
CCOC(=O)COc1c(Br)cc(/C=C2\SC(=O)N(CC(=O)OCC)C2=O)cc1OC	13881612	KMYCDFCOMZYDQP-ZSOIEALJSA-N	502.339	2.999	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1OC	59418413	OBYYRUCIVLWUGN-MFUBYVTQSA-N	524.595	2.833	0	40	KFAB	
CCC(=O)N1C2C3N(C(=O)CC)[C@H]4[C@@H](N3C(=O)CC)N(Cc3ccccc3)[C@H]([C@H]1N4Cc1ccccc1)N2C(=O)CC	102789147	MQKHUBKLDDDSDY-FOVQSURQSA-N	572.710	2.956	0	40	KFAB	
Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CCN(S(=O)(=O)CCn2c(=O)oc3ccccc32)CC1	102854232	SFKVFDNYAGRXCL-UHFFFAOYSA-N	535.688	2.845	0	40	KFAB	
COc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccc(C)cc2)c1	106540139	KQAVDMHPLGSLRD-UHFFFAOYSA-N	559.666	2.859	0	40	KFAB	
CCOC(=O)c1oc2cc(O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)ccc2c(=O)c1-c1cscn1	170623039	SFBDPQSPXMSRAI-AMDOUNBSSA-N	647.611	2.555	0	40	KFAB	
O=C(NCCO)[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	223369331	AQGVAICQCHOBAY-MUUNZHRXSA-N	602.109	2.618	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O	225003066	ATEZWIBZJFOCIL-GOSISDBHSA-N	501.605	2.563	0	40	KFAB	
CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	225275945	VFBFPAMOLBQOEG-OAQYLSRUSA-N	510.607	2.911	0	40	KFAB	
CC(=O)N1CCC(C(=O)N2CCC(COc3cccc(Cl)c3)(CC(=O)N3CCOCC3)CC2)CC1	257317125	VIMRUWJWTUBQSN-UHFFFAOYSA-N	506.043	2.835	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	260991367	QCNWHZBHXBWVMM-MOPGFXCFSA-N	503.621	2.822	0	40	KFAB	
CO[C@H](C)C(=O)Oc1cc2occ(-c3ccc(C[C@@H](OC)C(=O)O)cc3)c(=O)c2cc1OC(=O)[C@@H](C)OC	263583682	SWGAGWGEWZSBAK-GGOJBBCOSA-N	528.510	2.983	0	40	KFAB	
COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCO[C@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CCCCC2)C1	585287494	YDHLLYGYQDOGNE-HHHXNRCGSA-N	580.103	2.997	0	40	KFAB	
CO[C@@H]1CN(C(=O)c2ccccc2F)C[C@@H](CC(C)C)N(C(=O)CNCc2cccc(CN3CCOCC3)c2)CCCCOC[C@@H](O)[C@H]1O	643586645	HBYJSAAVHGJJHG-UTBREEANSA-N	686.866	2.680	0	40	KFAB	
Cn1c(CNC(=O)CN2CC[C@H]3NC(=O)[C@H](Cc4ccccc4)NC(=O)C4(CC=CC[C@H]3C2)CCOCC4)nc2ccccc21	2037879192	DTAATLAGRAVBDB-GKRYNVPLSA-N	612.775	2.871	0	40	KFAB	
CCOC(=O)CNC(=O)[C@H](c1ccc2ncccc2c1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1C	6089370	AOUCQDNNJPLTJA-QHCPKHFHSA-N	546.609	2.748	0	40	KFAB	
Cc1cc(C)cc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(O)cc2)c1	12474042	UBXXNLUAACSIEY-DENIHFKCSA-N	523.615	2.830	0	40	KFAB	
COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2C)cc1	12711369	BTASHQHQWXQYTD-PGRDOPGGSA-N	523.615	2.825	0	40	KFAB	
O=C(CCC(=O)N1CCOCCOCCN(C(=O)CCC(=O)OCc2ccccc2)CCOCCOCC1)OCc1ccccc1	29747742	BRSBMZRYZCDIQY-UHFFFAOYSA-N	642.746	2.771	0	40	KFAB	
CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(OC)cc3)N(CCN3CCOCC3)C2=S)cc1	33354459	AZFCHAIRDMCMCW-HSZRJFAPSA-N	540.642	2.535	0	40	KFAB	
CO[C@H](/C=C/CC/C=C/C(=O)O)[C@@H](O)[C@H](C)/C=C(\C)[C@H](O)[C@@H](C)C(=O)CCCC1CC(=O)NC(=O)C1	33991187	HJCZOTBHYAPUHT-REVFGJBWSA-N	507.624	2.711	0	40	KFAB	biogenic,in-vitro
COC(=O)c1ccc(N(C(=O)CNC(=O)c2ccco2)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(OC)c(OC)c2)cc1	38145966	AYDXLKZVIKXOTA-CUNXSJBXSA-N	579.606	2.883	0	40	KFAB	
CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c2ccc(Br)cc2Cl)cc1	38150092	UDUPNBIDQUQUOQ-NSHDSACASA-N	532.800	2.910	0	40	KFAB	
Cc1ccc(-c2nn3c(=O)cc(CN4CCN(S(=O)(=O)c5cc(F)ccc5F)CC4)nc3s2)cc1	41077516	YPIZVKSSSWLENS-UHFFFAOYSA-N	517.583	2.911	0	40	KFAB	
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)[C@H](C)CC)C(=O)O	70700031	ZADGHZJEVVLUPY-IEWPRLFMSA-N	536.629	2.620	0	40	KFAB	biogenic
Cn1c([C@@H](C(=O)NC[C@H]2CCCO2)N(Cc2ccc(F)cc2)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)nc2ccccc21	100378075	MEEMPYVBLJGDCJ-DFHRPNOPSA-N	619.675	2.922	0	40	KFAB	
CCOC(=O)C1=C(COC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)NC(=O)N[C@H]1c1ccco1	102220498	VOTDBULXMOEPQO-XLIONFOSSA-N	537.978	2.501	0	40	KFAB	
COc1cc2c(=O)n(Cc3ccc(C(=O)N4CCCCC4)cc3)c(=O)n(CC(=O)NC3CCCC3)c2cc1OC	102523371	MRTPDBOYFASRBY-UHFFFAOYSA-N	548.640	2.914	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1F)S(C)(=O)=O	223003623	IUWYZAIOQTWVIY-HNNXBMFYSA-N	514.417	2.908	0	40	KFAB	
CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	224367894	WWXBKDMRWRAWLS-FQEVSTJZSA-N	509.600	2.552	0	40	KFAB	
CO[C@H]1[C@@H](O)C[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]1C	253981615	IYJMSDVSVHDVGT-BBUMGBKISA-N	794.976	2.872	0	40	KFAB	
COc1ccccc1N(CC(=O)N(CCc1ccccc1)[C@H](C)C(=O)NC1CCCC1)S(C)(=O)=O	260811474	SFNFNWDFMNIECO-HXUWFJFHSA-N	501.649	2.980	0	40	KFAB	
NC(=O)C[C@@H](c1oc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c1O)c1ccnc2ccccc12	524730363	GUMPOPDULGGVFT-KGVIQGDOSA-N	512.566	2.682	0	40	KFAB	biogenic
CCCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)c2C(=O)NC)C1	2725195	QBCHOPWYCMQXIA-IAGOWNOFSA-N	534.704	2.926	0	40	KFAB	
COc1cc([C@@H]2c3cc4c(cc3[C@H](O[C@H]3O[C@H]5CO[C@H](c6cccs6)O[C@@H]5[C@@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O	3831506	NRUKOCRGYNPUPR-UEKXFYPCSA-N	656.662	2.753	0	40	KFAB	
N[C@@H](CCC(=O)N[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(F)cc1)C(=O)NCC(=O)O)C(=O)O	5082430	AQDIITWOJJRZMU-BJKOFHAPSA-N	567.639	2.729	0	40	KFAB	
COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2C)cc1	12711378	BTASHQHQWXQYTD-XMSQKQJNSA-N	523.615	2.825	0	40	KFAB	
O=C(COC(=O)c1ccccc1Br)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1	17527616	DNJNOZAPZYSGHT-UHFFFAOYSA-N	552.447	2.866	0	40	KFAB	
O=C(CSc1nc2ccccc2c(=O)n1NC(=O)CCc1c[nH]c2ccccc12)NC[C@H]1CCCO1	20643818	OTTDQKRTNLETPO-GOSISDBHSA-N	505.600	2.968	0	40	KFAB	
CCOC(=O)N1CCN(C(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(OC)c(Cl)c2)CC1	34706284	PMLPXGFNKUUOGV-UHFFFAOYSA-N	502.033	2.973	0	40	KFAB	
C[C@@H](O)[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)CC1)C(=O)O	70701636	OYDNEYNGSFYRIW-YNJKOYDBSA-N	565.667	2.859	0	40	KFAB	biogenic
CCn1cc(C(=O)NCc2cc(OC)ccc2OC)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1	102920897	CUMXLIFCJMNVFW-UHFFFAOYSA-N	541.674	2.978	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(=O)c(-c4nc(C)cs4)coc3c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	103692496	LODGFUDXZVUDFR-ZOXYYQABSA-N	589.575	2.687	0	40	KFAB	
CCc1cc(Br)ccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc(C)cc2)C1	138966795	BPJZZHNWFJIREA-QGZVFWFLSA-N	502.365	2.995	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O	222554610	CYURRMCYVSSIRS-AWEZNQCLSA-N	502.420	2.931	0	40	KFAB	
CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	223982454	ZOIRXYKHCDRNLS-QFIPXVFZSA-N	515.632	2.954	0	40	KFAB	
COc1ccc(Br)cc1S(=O)(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1	224423050	JEECMLNSVAYSKX-UHFFFAOYSA-N	533.466	2.990	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O	225358841	LXYXNUHNMPTEFZ-RBUKOAKNSA-N	505.637	2.802	0	40	KFAB	
C[C@H](OC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1)C(=O)N[C@@H]1CCCC[C@H]1C	245228409	VWTOETCPMQEPDG-RVKKMQEKSA-N	517.442	2.710	0	40	KFAB	
Cc1cc(Br)ccc1NC(=O)COc1ccc(N2C[C@H](C(=O)NC[C@@H](C)O)CC2=O)cc1	408575760	FSKMMSIRHRRJJO-HZPDHXFCSA-N	504.381	2.625	0	40	KFAB	
CCOc1cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)cc(I)c1OCC(=O)O	409066312	BPABZYZMAYOSDK-MRACZJACSA-N	535.312	2.751	0	40	KFAB	
Cc1ccc(-c2cc(C(=O)N3CCC4(CCCCOCCCNC(=O)[C@H](C)NC4=O)CC3)nn2C)cc1	643564159	PZUMIOWRBBKFIG-NRFANRHFSA-N	509.651	2.829	0	40	KFAB	
CCn1cc(C(=O)N[C@@H](C(=O)O)C(C)C)c(=O)c2cc(F)c(N3CCN(C(=O)c4ccco4)CC3)cc21	2271012	HNFBLDYRSOKDNP-JOCHJYFZSA-N	512.538	2.555	0	40	KFAB	
COCCN(C(=O)CSc1nnc(Nc2ccccc2F)s1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	3333631	RBCNVNKNRNRHIL-UHFFFAOYSA-N	557.633	2.673	0	40	KFAB	
COc1ccc(-c2c(C)c(C(=O)O)nc(-c3ccc4c(O)c(OC)c5c(c4n3)=NC(C)(C)N=5)c2N)c(O)c1OC	4212044	SQQXRXKYTKFFSM-UHFFFAOYSA-N	545.552	2.979	0	40	KFAB	biogenic
COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCCC(C)C)c2ccco2)cc1OC	6134595	YHGCSKPUESMJGY-FQEVSTJZSA-N	515.592	2.985	0	40	KFAB	
O=C1[C@@H]2[C@@H](Cc3ccc(O)cc3)N[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C(=O)N1Cc1ccc2c(c1)OCO2	70699149	KEAWQTGGKQATSK-IGGVYQGESA-N	531.952	2.938	0	40	KFAB	biogenic
CCN(C(=O)COC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1	97979556	SCEJLGHNSXTNTG-NMXNWIABSA-N	551.621	2.903	0	40	KFAB	
COc1ccc(CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C(=O)NC[C@@H]2CCCO2)c2cccc(OC)c2)cc1	100341484	IJMHRMKMMPMZAV-ABYGYWHVSA-N	607.685	2.914	0	40	KFAB	
O=C(C1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1)N1CCN(C(=O)[C@H]2CCCO2)CC1	103044319	IYOFGFDGJFQQGD-GOSISDBHSA-N	537.988	2.609	0	40	KFAB	
O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1	103098144	QYKBXRUOMUETAA-UHFFFAOYSA-N	533.509	2.500	0	40	KFAB	
O=C(NCc1ccccc1)[C@@H]1CN(C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc2O1	222892040	UZJODKGTEBTFRN-MHZLTWQESA-N	549.649	2.751	0	40	KFAB	
C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	222894929	BTASNWHUNGPSHN-QGZVFWFLSA-N	510.607	2.910	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O	223050951	ZPHFFHSHRPNSEK-INIZCTEOSA-N	526.453	2.777	0	40	KFAB	
CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	223220524	FUPFYQSKZIBZQF-LJAQVGFWSA-N	595.718	2.871	0	40	KFAB	
CN1CCN(C(=O)C[C@@]2(COc3ccc(F)cc3)CCCN(S(=O)(=O)c3ccccc3F)C2)CC1	257237671	HHOAPSCBKYJCFM-VWLOTQADSA-N	507.603	2.979	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	260968283	LZNDHIMYKHJQDR-ROUUACIJSA-N	523.627	2.941	0	40	KFAB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4ccccc4C(=O)O)c(=O)n32)cc1OCC	408948858	RQAFAZZIKICUHG-JFLYLQGUSA-N	508.552	2.514	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OCCn3ccnc3C)c(OC)c2)C[C@@](O)(COc2ccc(F)cc2)C1	585274047	UVSVWEYJKHWLOP-LJAQVGFWSA-N	556.635	2.519	0	40	KFAB	
COc1cccc(CCCNC(=O)[C@@H]2CC(=O)N[C@@H](C)C(=O)N(C)[C@@H](Cc3ccccc3)COc3ccccc3C(=O)N2)c1	643565539	IJBQQDMXIPOJHV-FSEMWLHASA-N	600.716	2.900	0	40	KFAB	
CCOc1ccc(CCCNC(=O)[C@@H]2CC(=O)N[C@@H](COC(C)(C)C)C(=O)N[C@H](C)COc3ccccc3C(=O)N2)cc1OC	643571944	SUWQLHKTOQKYLI-ZODMCCGTSA-N	626.751	2.528	0	40	KFAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N(C)CCOc2ccccc2F)CC(=O)N[C@H](Cc2ccccc2)C1=O	643578864	HUQFSFHDCYCKOS-SXOMAYOGSA-N	604.679	2.820	0	40	KFAB	
CC(C)C[C@H]1NC(=O)C2(CC=CC[C@@H]3COCC[C@@H]3NC1=O)CCN(C(=O)CCn1cnc3ccccc3c1=O)CC2	2037879829	RYUWMPNEJVGUBR-NRRYGQPISA-N	577.726	2.798	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(=O)OC)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	1209174	QYMIXTGMKUXSQF-VZIOXZNFSA-N	522.579	2.602	0	40	KFAB	
COCCNC(=O)[C@@H](c1ccc2ncccc2c1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1	6136203	GTCDGZQPUMNJIB-JOCHJYFZSA-N	534.598	2.532	0	40	KFAB	
O=C(NC12CC3CC(CC(C3)C1)C2)[C@@H](c1csnn1)N(C(=O)CN1C(=O)c2ccccc2C1=O)C1CC1	8748726	QHSUPHHYZBPWSP-PHDLEGTPSA-N	519.627	2.951	0	40	KFAB	
O=C(NC[C@H]1CCCO1)[C@H](c1ccccn1)N(Cc1ccccc1Cl)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	17414026	XHZCYPIIMFQLEK-IBVKSMDESA-N	583.066	2.945	0	40	KFAB	
C[C@@H](C(=O)NC1CCCC1)N(C(=O)C[S@@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1ccc(F)cc1	19941237	PWOJBYPTQSNMDR-IZNSARCZSA-N	517.579	2.722	0	40	KFAB	
CCN(CC)C(=O)CN1C(=O)[C@@]2(N[C@@H](CCSC)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)c2ccccc21	29749021	PJFQYXJEWPMYMV-CVRJGYJLSA-N	534.682	2.623	0	40	KFAB	
COc1ccc(Cn2nnnc2CN(Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)C[C@@H]2CCCO2)cc1	57640449	OZEPMJQRCFFSQU-QFIPXVFZSA-N	518.574	2.524	0	40	KFAB	
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	169619699	TYQXKHPOXXXCTP-JUCFWUEMSA-N	790.001	2.747	0	40	KFAB	
COC(=O)[C@H]1CN(C(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc2Cl)c2ccccc2O1	222828514	SJWOKUPGYAZIDW-OAQYLSRUSA-N	508.980	2.907	0	40	KFAB	
CS(=O)(=O)N(CCCC(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(F)cc1	224386507	VTXQIAPXAXXXEG-UHFFFAOYSA-N	541.667	2.742	0	40	KFAB	
COc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1CN(c1ccc(F)cc1)S(C)(=O)=O	224760664	NNEGAZQBWOEIHA-UHFFFAOYSA-N	507.565	2.700	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	225073006	ZQDUBGVJCSVINE-RBUKOAKNSA-N	503.621	2.822	0	40	KFAB	
COC(=O)[C@]1(CCSC)N[C@H](c2ccc(F)cc2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21	245229644	CITAGPGHBLMFIZ-UPUUWEMXSA-N	500.548	2.712	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3/C(=O)N(CC)c4ccccc43)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	409148522	ZPGGARDTBDTNPW-ZHHPLPSFSA-N	533.606	2.552	0	40	KFAB	
CC(=O)N1CCCN(c2ncccn2)CCN(C(=O)CCN2CCN(c3ccccn3)CC2)Cc2ccccc21	643555259	XILYOINUJRRAOH-UHFFFAOYSA-N	542.688	2.676	0	40	KFAB	
CC(C)C[C@H]1NC(=O)C[C@@H](C(=O)NCCCN2CCCCCC2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC1=O	643575794	LOKKXKBIANREPR-RTOKGZNSSA-N	690.886	2.715	0	40	KFAB	
COc1cc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4ccc(F)cc4)CC3)c(=O)[nH]c2cc1OC	6136470	YEZZQRUCGNYSBP-HFZDXXHNSA-N	549.607	2.762	0	40	KFAB	
CCCC[C@@H](C(=O)NC(C)(C)C)N(C[C@@H]1CCCO1)C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1	6481278	HOZYLUCNXHFBGL-PMACEKPBSA-N	516.643	2.838	0	40	KFAB	
CCOC(=O)CNC(=O)[C@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(C(F)(F)F)c1	6547085	FTZRZRLNHFNXBD-IBGZPJMESA-N	565.530	2.616	0	40	KFAB	
COCCNC(=O)[C@@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(C)ccc1C	12467362	IYOHZNQHQJDKFJ-OAQYLSRUSA-N	511.604	2.600	0	40	KFAB	
CCOc1c(OC)cccc1[C@H]1CN2C(=O)CN(CCN3CCOCC3)C(=O)[C@]2(C)c2[nH]c3ccccc3c21	20611327	GFQVQIUJPHXIDN-RCRUUEGKSA-N	532.641	2.939	0	40	KFAB	biogenic
C[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)N(C)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)c2C1	24748276	UKUZGQKWOZXYSY-KRWDZBQOSA-N	527.581	2.660	0	40	KFAB	
CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@]6(O)[C@@H](OC)C[C@@](OC(C)=O)([C@H]5[C@H]6OC(=O)c5ccc(OC)cc5)[C@@H]([C@H](OC)[C@H]23)[C@@H]14	79212786	GAZDXIGXYWVWQX-IBOHHWAHSA-N	643.774	2.715	0	40	KFAB	biogenic,in-vitro
CC(=O)O[C@H]1C[C@H]2[C@@H](C)C(=O)[C@]3([C@@H]1[C@@]14CCC[C@@](C)(CO[C@@H]1OC(C)=O)[C@H]4C[C@H]3OC(C)=O)[C@@H]2OC(C)=O	100359370	WJHJRKXBNNQXFF-PZFSWBRSSA-N	534.602	2.739	0	40	KFAB	
CCOC(=O)c1sc(NC(=O)COC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c(C(=O)OCC)c1C	103140671	RMJDTALOMBCGQS-UHFFFAOYSA-N	561.034	2.866	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	223255078	VWHRRXMCXSMJTA-SFHVURJKSA-N	523.627	2.943	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	223274722	RYSLWKBFRNWESN-GOSISDBHSA-N	510.607	2.911	0	40	KFAB	
CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	223432743	RLLHOJQKHCIPEQ-QHCPKHFHSA-N	523.586	2.746	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O	223614717	NDGVIPCSZHGGLA-QGZVFWFLSA-N	557.454	2.919	0	40	KFAB	
CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O	225467921	CQPNSDILSAGTCM-LJQANCHMSA-N	503.621	2.903	0	40	KFAB	
CC(C)[C@@H]1CCC(CO)=C[C@@H]1/C=C(\CO)C(=O)OC[C@]1(O)CC[C@H](C(C)C)[C@H]2C=C(C(=O)O)COC(=O)[C@H]21	253389571	RCOCBDNPQGVEDL-LUEYUONGSA-N	534.646	2.647	0	40	KFAB	biogenic,in-vitro
Cc1ccc(CN(C(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)[C@H](C)C(=O)NC(C)(C)C)cc1	260887837	CRGCXRBZQALBOQ-GOSISDBHSA-N	503.621	2.822	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1ccccc1F)[C@H](C)C(=O)NC(C)C)c1ccc2c(c1)OCCO2	260891866	RINFRBAHBOSFDT-GOSISDBHSA-N	521.611	2.695	0	40	KFAB	
CCOC(=O)N1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2Cl)CC1	408635931	JUNXQSNWWPYYJC-UHFFFAOYSA-N	511.984	2.829	0	40	KFAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCOCC4)o3)c(=O)n2[C@@H]1c1ccccc1OC	409097285	MXSHEEHLWXKIFS-CUPKDKKMSA-N	536.654	2.542	0	40	KFAB	
COc1cccc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)c1O[C@@H](C)C(=O)O	409249697	OADAZSFGAZLXQY-KPENOIPVSA-N	518.320	2.841	0	40	KFAB	
COc1cccc(CCCNC(=O)[C@@H]2CC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C)COc3ccccc3C(=O)N2)c1	643572757	HOCOGYVYANNUKX-VHUYVOMVSA-N	685.822	2.698	0	40	KFAB	
CCn1cc(C(=O)O)c(=O)c2cnc(N3CCN(C(=S)N[C@@H](C)c4ccc(Cl)cc4)CC3)nc21	1443364	XAUQGGOBGXMFBV-AWEZNQCLSA-N	501.012	2.921	0	40	KFAB	
COC(=O)c1ccc(CSc2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)s2)cc1	3255872	MOIWLYLZTBGROW-UHFFFAOYSA-N	534.641	2.890	0	40	KFAB	
COc1c2ccoc2nc2c(OC)c(O[C@@H]3O[C@@H](C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)ccc12	8740248	VEPUODFCYPKQKH-ZYKPWPFASA-N	517.487	2.917	0	40	KFAB	
O=C(Cc1ccccc1)N[C@@H]1C(=O)N2[C@H](C(=O)OC(c3ccccc3)c3ccccc3)[C@@H](O)CS[C@H]12	21986008	JSNDVKXNQUBARH-WCJVPVSSSA-N	502.592	2.691	0	40	KFAB	
O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl	22920489	FQYDHIOYNXGLDS-UHFFFAOYSA-N	521.039	2.610	0	40	KFAB	
CCCSc1ncc(Br)c(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)OC)n1	46085583	UWBUQZBDVZHBNC-MRXNPFEDSA-N	509.426	2.762	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1Cl	59838178	OJDFMIBXVHMOOV-INIZCTEOSA-N	530.068	2.506	0	40	KFAB	
CCOC(=O)c1cccc(NC(=O)Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3c2c(C)nn3CC)c1	64775052	UKQSNLALTWOWPZ-UHFFFAOYSA-N	507.522	2.691	0	40	KFAB	
CC1(C)S[C@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1	101398421	QZFSYDPWLFYXEW-JPYHZWLXSA-N	536.698	2.601	0	40	KFAB	
Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CN(S(C)(=O)=O)c4ccccc4O3)cc2)cc1	216455667	VIFJRPWVAOFMTK-QFIPXVFZSA-N	501.586	2.962	0	40	KFAB	
CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C	222879781	FKHLUZMEXPMDJB-HSZRJFAPSA-N	504.653	2.640	0	40	KFAB	
CC(C)c1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)cc1	224365921	CFEKOPCHCKTHJS-UHFFFAOYSA-N	537.704	2.946	0	40	KFAB	
C[C@@H]1C[C@@H](C)CN(c2cc(N3CCN(c4ccccc4)CC3)nc(NC(=S)NCCN3CCOCC3)n2)C1	225904626	ANXBYNKXVBRMEG-DHIUTWEWSA-N	538.766	2.904	0	40	KFAB	
COc1ccccc1CNC(=O)[C@@H](OC(=O)c1ccc(OC(C)=O)c(OC)c1)[C@@H](OC(=O)c1ccc(OC(C)=O)c(OC)c1)C(=O)O	409376279	WOYBSDSLZJURSE-WUFINQPMSA-N	653.593	2.715	0	40	KFAB	
COC(=O)c1cccc(NC(=O)[C@@H](OC(=O)c2cccc(OC)c2)[C@H](OC(=O)c2cccc(OC)c2)C(=O)O)c1	409376495	BDYYWWNXIRFQDA-GOTSBHOMSA-N	551.504	2.965	0	40	KFAB	
CN(CCC[C@H]1C(=O)N(C)CCCCc2ccccc2OCC(=O)N1C)C(=O)c1ccc2c(c1)OCO2	643560348	NXOUAARGZZRGNW-QFIPXVFZSA-N	509.603	2.968	0	40	KFAB	
O=C1CC[C@@H](C(=O)O)NC(=O)c2ccccc2OCCCNC(=O)c2ccccc2OC[C@@H](Cc2ccccc2)N1	643570322	YJDPNOHTRHNGKO-RDGATRHJSA-N	559.619	2.969	0	40	KFAB	
COc1ccc(CCCNC(=O)[C@@H]2CCC(=O)N3CCC[C@H]3C(=O)N[C@H](C(C)C)COc3ccccc3C(=O)N2)cc1OC	643572188	RXSRUABTFIVSII-GSDHBNRESA-N	608.736	2.856	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@H](C(=O)NC3CCCCC3)c3ccc(F)cc3)n2)cc1	7060481	OOWCYGAZYBGDFF-NDEPHWFRSA-N	579.677	2.839	0	40	KFAB	
COc1ccc(C[C@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1	13565650	OCDADAIVTBVUCL-QFIPXVFZSA-N	527.565	2.731	0	40	KFAB	
COc1ccc(C(=O)N[C@H](CO)c2nnc(SCC(=O)Nc3ccc(Br)cc3)n2C)cc1	33671284	AIYGCYBYXZVHJI-QGZVFWFLSA-N	520.409	2.780	0	40	KFAB	
CCOC(=O)[C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N(C)c3c(C)n(C)n(-c4ccccc4)c3=O)c2)C1	38139397	ZGBBKLKHUWZBMQ-NRFANRHFSA-N	540.642	2.725	0	40	KFAB	
CC(=O)O[C@@H]1C(=O)[C@]2(C)[C@H](CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)[C@H]4O[C@]432)[C@@]23COC(=O)C[C@@H]2OC(C)(C)[C@@H]13	96023662	IHOHGVDNDQTZGL-MDOWBRFOSA-N	528.554	2.679	0	40	KFAB	biogenic,in-vitro
CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NCCN2C(=O)S/C(=C/c3ccc4c(c3)OCO4)C2=O)c1	103019316	SLACSLXCYCZPRL-OEAKJJBVSA-N	572.665	2.732	0	40	KFAB	
Cn1c([C@@H](C(=O)NC[C@@H]2CCCO2)N(Cc2ccc3c(c2)OCO3)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)nc2ccccc21	150384289	KUTRYFNHFDSVRM-LGGPFLRQSA-N	645.694	2.512	0	40	KFAB	
Cc1cc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NC[C@@H](C)O)CC3=O)cc2)ccc1Br	408580980	SDTSIFKJTCXARB-CVEARBPZSA-N	504.381	2.625	0	40	KFAB	
CS(=O)(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Cl)cc1	408694764	MMPCPNAJYAFWNU-UHFFFAOYSA-N	516.041	2.546	0	40	KFAB	
COc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)ccc1O[C@@H](C)C(=O)O	409010475	FCULHUWVUYKSKI-PFSWGADMSA-N	518.320	2.841	0	40	KFAB	
CCOc1cccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)c1OCC(=O)O	409207084	OONOUUCUGSBUKZ-GRSHGNNSSA-N	514.512	2.995	0	40	KFAB	
CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NC2CCN(Cc3ccccc3)CC2)CC(=O)N[C@H](Cc2ccccc2)C1=O	643582619	QWZPTUOABMFQIK-XZWHSSHBSA-N	611.743	2.534	0	40	KFAB	
CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccco3)N3CCN(C(=O)c4ccco4)CC3)cc2c1	1382380	BXHLUSDEXMBJFC-DEOSSOPVSA-N	513.558	2.859	0	40	KFAB	
Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)OCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	3434169	DJPPGLIVFGZRNU-UHFFFAOYSA-N	525.414	2.710	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)[C@@H](C)C(=O)NCCC(C)C)n2)cc1OC	6134348	WYTHKWVQTNHVGR-KRWDZBQOSA-N	500.625	2.998	0	40	KFAB	
CCN1CCN(CC(=O)N2N=C(c3ccc(Br)cc3)C[C@H]2c2ccc(OC)cc2)C(=O)C1=O	9599707	MWNUJIQVXQRBHI-NRFANRHFSA-N	513.392	2.826	0	40	KFAB	
CCCN(C(=O)COC(=O)c1ccc(OC(F)(F)F)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	12590085	LYKQJWHDZFQYNK-UHFFFAOYSA-N	520.464	2.666	0	40	KFAB	
CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(N4CCCS4(=O)=O)cc3)CC2)cc1	14084517	ZJVGQJWETFOTBU-UHFFFAOYSA-N	505.662	2.671	0	40	KFAB	
CC(=O)OCC(=O)O[C@@H]1[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@]2(O)[C@H](OC(C)=O)[C@]2(C)[C@H]3CC(C)(C)C(=O)[C@@H]3C[C@@]1(OC(C)=O)[C@@H]2OC(C)=O	28536312	GVQACOLUOBLBLO-ZLRJLHLPSA-N	714.761	2.894	0	40	KFAB	biogenic,in-vitro
O=C(OC[C@@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1	68704937	JJFICUPIRKNFIU-JAYJDBRPSA-N	574.517	2.881	0	40	KFAB	
C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)C(C)C)CC[C@]4(C)[C@@H]3CC[C@@]21C	70673282	WYUHHNBNAWYJMG-DDUCYXILSA-N	599.725	2.871	0	40	KFAB	
COc1cc([C@H](C(=O)NC[C@H]2CCCO2)N(Cc2ccc3c(c2)OCO3)C(=O)Cn2nnc3ccccc32)ccc1O	100336352	VLLDDLNARIMKCG-ONOMSOESSA-N	573.606	2.940	0	40	KFAB	
COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CC(=O)NCC(=O)Nc3ccc(F)c(F)c3F)C2=O)cc1	103136660	YGCCNKLUIVRSBX-UHFFFAOYSA-N	556.497	2.671	0	40	KFAB	
COc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@@H]3C[C@H](O)CN3S(=O)(=O)c3ccc(C)cc3)ccc2C)cc1	108924719	CVOVVFDHILIZOV-URXFXBBRSA-N	559.666	2.875	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	222701015	DZXNGZXJYMOXLH-CQSZACIVSA-N	532.446	2.940	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	222712727	KAPLLOXWMBVGEM-AWEZNQCLSA-N	530.430	2.694	0	40	KFAB	
O=c1cc(CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)oc(CN2CCN(C/C=C/c3ccccc3)CC2)c1O	257199104	SHQYQTDTNNGVMJ-AQJKAMLLSA-N	528.653	2.957	0	40	KFAB	
COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@](COc3ccc(F)cc3)(CC(=O)N3CCN(C)CC3)C2)c1	257209524	BQTBQKGPMSYAIZ-HHHXNRCGSA-N	549.665	2.857	0	40	KFAB	
Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1	408590640	KEQJODUFJPBYIJ-UHFFFAOYSA-N	515.632	2.622	0	40	KFAB	
CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccccc1Br	408622786	REDHCDOAJJXVGO-OAHLLOKOSA-N	510.410	2.763	0	40	KFAB	
CCCOc1c(OC)cccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc4c(c3)OCO4)c(=O)n21	409013648	LDNWLBOKIJTUGU-XSZPGNIMSA-N	566.632	2.951	0	40	KFAB	
O=C(CSc1nc(=Nc2ccccc2)nc(N2CCOCC2)[nH]1)Nc1ccc(Cl)c(C(=O)O)c1	409388294	CTARCBIUZLIUFO-UHFFFAOYSA-N	500.968	2.956	0	40	KFAB	
Cc1ccc(OCCN(C)C(=O)[C@@H]2CCC(=O)N[C@H](CC(C)C)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1	643580484	MUUWASDLHROKBM-IZZNHLLZSA-N	566.699	2.793	0	40	KFAB	
CC(=O)N[C@H](C(=O)N1CC[C@@H]2NC(=O)[C@H](Cc3ccccc3)NC(=O)C3(CC=CC[C@@H]2C1)CCOCC3)[C@@H](C)OC(C)(C)C	2037829046	HPSRZSHLKHSGCH-BSNVCIOISA-N	610.796	2.902	0	40	KFAB	
CCOC(=O)CC[C@@H](NC(=O)CCCCCCCCC(=O)N[C@H](CCC(=O)OCC)C(=O)OCC)C(=O)OCC	6546168	YBVVVXKPVPVQTE-FGZHOGPDSA-N	572.696	2.890	0	40	KFAB	
Cn1c(=O)c2[nH]c(N3CCN(C(=O)[C@@H]4CCCN(c5c(-c6ccccc6)c6cc(Cl)ccc6[nH]c5=O)C4)CC3)nc2n(C)c1=O	8695127	LMZYHHAEJABZQD-HXUWFJFHSA-N	629.121	2.687	0	40	KFAB	
COc1ccc2c(C)c(CCC(=O)N[C@H](CC(=O)NCC(=O)O)c3ccc(OC)c(OC)c3)c(=O)oc2c1	12902128	BZKIBYKOHHLDEW-HXUWFJFHSA-N	526.542	2.508	0	40	KFAB	biogenic
CN(CC(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1)S(=O)(=O)c1ccc2ccccc2c1	20030921	KIGJATJHWBAFAS-UHFFFAOYSA-N	501.630	2.561	0	40	KFAB	
O=C(CCC(=O)N1CCOCCN(C(=O)CCC(=O)OCc2ccccc2)CCOCC1)OCc1ccccc1	97998428	BKKIEMHLCKCEHX-UHFFFAOYSA-N	554.640	2.738	0	40	KFAB	biogenic
COc1ccccc1-c1nn2c(=O)cc(CN3CCN(S(=O)(=O)c4ccc(F)c(F)c4)CC3)nc2s1	102350342	WNMDCBHOJSGWLD-UHFFFAOYSA-N	533.582	2.611	0	40	KFAB	
COc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)cc1S(=O)(=O)N1CCOCC1	103049231	DZJGCEOKWCDOAM-UHFFFAOYSA-N	551.687	2.842	0	40	KFAB	
COCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1	222888378	CLPITDQXLUUDKA-IBGZPJMESA-N	519.639	2.769	0	40	KFAB	
COC(=O)CSc1nnc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3cccc(Cl)c3)C2)s1	223689803	CRGYETRWLMVMSC-CYBMUJFWSA-N	505.043	2.637	0	40	KFAB	
COc1ccc(OC)c(S(=O)(=O)N2CCC[C@](COc3ccc(F)cc3)(CC(=O)N3CCN(C)CC3)C2)c1	257209525	BQTBQKGPMSYAIZ-MHZLTWQESA-N	549.665	2.857	0	40	KFAB	
O=CN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2C=CCOc2ccccc2CN(C2CCCC2)CC3=O)CC1	958317732	IPFDHDWXULYASN-ZEQRLZLVSA-N	508.663	2.535	0	40	KFAB	
Cc1c(N(C)S(=O)(=O)c2cc(C(=O)OCC(=O)NCC(F)(F)F)ccc2Cl)c(=O)n(-c2ccccc2)n1C	2642328	XYMIZBLKYDJUCW-UHFFFAOYSA-N	574.965	2.798	0	40	KFAB	
Cc1c(C(=O)N(C)C)sc2c1c(=O)n(-c1ccc(F)cc1)c(=O)n2Cc1cc(=O)n2c(C)cccc2n1	2687521	VSCGGMDZQKYQGE-UHFFFAOYSA-N	519.558	2.728	0	40	KFAB	
O=C(CSc1ncc(S(=O)(=O)c2ccc(Br)cc2)c(=O)[nH]1)Nc1ccc2c(c1)OCCO2	8604702	AUUQSKIFVARQGQ-UHFFFAOYSA-N	538.401	2.867	0	40	KFAB	
Nc1ncn([C@H]2C[C@H](OC(=O)c3ccc(Cl)cc3)[C@@H](COC(=O)c3ccc(Cl)cc3)O2)c(=O)n1	16954752	TWEZWUPSUOJPMB-RCCFBDPRSA-N	505.314	2.897	0	40	KFAB	
CCOC(=O)Cc1csc(SCC(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)n1	38140309	CBXIJGKBMUTIIC-UHFFFAOYSA-N	531.660	2.511	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC)c(OC)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	59418608	WOSUGPXLGRKOTH-DKOMQPSQSA-N	522.579	2.934	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1Cl	59952428	FQRWINRLVJVYOL-OAQYLSRUSA-N	538.047	2.914	0	40	KFAB	
COc1ccc(/C=C2\SC(=O)N(CCCC(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3O)C2=O)cc1	100849729	PSZQLLXVBRYBBJ-JCMHNJIXSA-N	561.638	2.877	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	222576319	NROHQOGTJUBAPU-RUZDIDTESA-N	544.624	2.964	0	40	KFAB	
CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O	222877860	CJOBBQVTQXGXGG-DEOSSOPVSA-N	517.648	2.996	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1	224302442	XPFKCJAOWXPNRQ-AREMUKBSSA-N	571.677	2.623	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCc1ccc(CN2CCCC2)cc1	224517992	DBTWJIHAQSVPJN-UHFFFAOYSA-N	501.649	2.561	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2cccc(C(C)=O)c2)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)C)c1	225658763	XHRJTJARXYJCDI-SFHVURJKSA-N	503.621	2.606	0	40	KFAB	
COc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCCOc3ccc(S(=O)(=O)N4CCCC4)cc3)Oc3ccccc32)cc1	260886084	DNUIKHFXTUYAGH-HHHXNRCGSA-N	601.703	2.631	0	40	KFAB	
O=C(O)CN1C(=O)N/C(=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(I)c2)C1=O	408590217	GUTDOXAACBYLHJ-OVCLIPMQSA-N	522.251	2.546	0	40	KFAB	
Cc1ccc(NC(=O)COC(=O)[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)[C@@H](C)O)c(Br)c1	3280808	NKDHKXGBSBSUAW-XIKOKIGWSA-N	519.801	2.621	0	40	KFAB	
CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)C(=O)Nc1c(Cl)cc(Cl)cc1Cl	8856324	DZVCIZYWXBFEKF-SZMVWBNQSA-N	512.726	2.944	0	40	KFAB	
COc1cccc(NC(=O)CN(C)C(=O)c2cccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)c2)c1	12536394	UCCPEJUENZSKNB-UHFFFAOYSA-N	522.627	2.917	0	40	KFAB	
CCCCN(C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1c(N)n(CCC)c(=O)[nH]c1=O	13148743	ZHETYSGAXUIMTP-UHFFFAOYSA-N	526.059	2.804	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(CNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1	20030658	XZGPDGUCXRCHJO-UHFFFAOYSA-N	519.620	2.583	0	40	KFAB	
CCNC(=O)c1ccc(OC)c(S(=O)(=O)NCCc2ccc(S(=O)(=O)NC3CCCCC3)cc2)c1	22228010	HVORAYOBRBAHSP-UHFFFAOYSA-N	523.677	2.577	0	40	KFAB	
CS(=O)(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(F)cc1	30755440	ARZAJUXHTZOMPT-UHFFFAOYSA-N	507.569	2.601	0	40	KFAB	
CC[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1)N(c1ccccc1)S(C)(=O)=O	38752062	AGOCCLCPIJWLCK-HXUWFJFHSA-N	503.606	2.769	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)C2)cc1	59838762	YSFSTEYLIUGROQ-QFIPXVFZSA-N	549.715	2.977	0	40	KFAB	
COc1ccccc1NS(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)CN2C(=O)c3ccccc3C2=O)c1	103012210	NZSYCSUFPWTQAX-UHFFFAOYSA-N	550.593	2.567	0	40	KFAB	
O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1cccc(S(=O)(=O)N2CCCC2)c1	150451016	NCTPOJYLMCWKLS-UHFFFAOYSA-N	731.875	2.781	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223266490	NDLGRISDDNALKM-GOSISDBHSA-N	521.611	2.697	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	223440382	IWLXZLDAILYWEL-IBGZPJMESA-N	535.663	2.812	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	223531300	KCXSZQSFLWJXBB-FQEVSTJZSA-N	519.664	2.846	0	40	KFAB	
C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	224833563	KNFHOBCUHHGEDG-KRWDZBQOSA-N	501.580	2.836	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O	225479132	CKPKUUJIPIDIIQ-QGZVFWFLSA-N	510.454	2.995	0	40	KFAB	
CCOC(=O)COc1c(/C=c2/sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cccc1OC	408942777	LFSHMXCRERTZTG-KMBIYUNPSA-N	596.658	2.766	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/[C@H]3C(=O)N(c4ccccc4)N=C3C)c(=O)n2[C@H]1c1ccccc1OC	409017954	KGTKOUGVHMUTRG-KCIWELSNSA-N	530.606	2.798	0	40	KFAB	
Cc1n[nH]c(C)c1CCC(=O)N(C)CCC[C@H]1C(=O)N(C)CCCCc2ccccc2OCC(=O)N1C	643560282	JILNVHLSAUHEGA-DEOSSOPVSA-N	511.667	2.898	0	40	KFAB	
COc1ccc(CNC(=O)[C@@H]2Cn3ccnc3C3(CCN(S(=O)(=O)c4sccc4C)CC3)O2)cc1	2055793498	KYNYRFGXRFBIJM-FQEVSTJZSA-N	516.645	2.657	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3nc(-n4nc(C)cc4C)ccc3Cl)CC2)c(C)c1	3308741	DHRAZWMWHGYTGW-UHFFFAOYSA-N	546.049	2.844	0	40	KFAB	
Cc1nnc(NC(=O)CSc2nnc(CNC(=O)COc3ccccc3)n2-c2ccc(F)cc2)s1	9369059	UUGSQCLKKGEPEN-UHFFFAOYSA-N	513.580	2.992	0	40	KFAB	
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)CC1	12867188	OILYMYSHZKRJNK-NDXORKPFSA-N	505.612	2.682	0	40	KFAB	biogenic
CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)C1=O	17527556	VDHJTMVBLWKHNP-XMMPIXPASA-N	535.022	2.547	0	40	KFAB	
CCCC[C@H]1C(=O)O[C@@H](C)[C@@H](NC(=O)c2cccc(NC=O)c2O)C(=O)O[C@@H](C)[C@H]1OC(=O)CC(C)C	31483236	PVEVXUMVNWSNIG-OKYGIHGQSA-N	520.579	2.700	0	40	KFAB	
COc1ccc(CCN(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)cc1OC	38145058	UPAQIGNISDYHEB-DVECYGJZSA-N	585.658	2.702	0	40	KFAB	
C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)N1CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC1)C2=O	72142518	HTXHOZHKIXJHGP-NPMXOYFQSA-N	545.489	2.963	0	40	KFAB	
CS(=O)(=O)[C@@H](C1=Nc2nnc(NC(=O)Nc3ccc(Cl)cc3)n2C1=O)C1=NC(=O)c2nnc(NC(=O)Nc3ccc(Cl)cc3)n21	150598089	QVLOLTXLYPSOKC-HNNXBMFYSA-N	671.443	2.705	0	40	KFAB	
COc1ccc(CN(C(=O)CCN2C(=O)c3ccccc3S2(=O)=O)[C@H](C)C(=O)NC2CCCC2)cc1	224071262	OBPJSNWIOHUCBX-GOSISDBHSA-N	513.616	2.706	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	225536940	YVUWLNHAJFFQNQ-QHCPKHFHSA-N	505.596	2.526	0	40	KFAB	
COc1ccc(CCNC(=O)c2ccccc2NC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1OC	408629794	IAHHIPVAZGBRMT-UHFFFAOYSA-N	555.609	2.810	0	40	KFAB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cccc(OC(C)=O)c4)c(=O)n32)cc1OCC	408954483	XCSKENKQFJJKLO-NXAROGRYSA-N	522.579	2.741	0	40	KFAB	
O=C(C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1)O[C@@H]1C[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O	504010043	LPTYJDZEBFATMR-BIEBPRBUSA-N	595.620	2.533	0	40	KFAB	
C[C@]1(N(CCNS(=O)(=O)c2ccc(Br)cc2)S(=O)(=O)c2ccc(Br)cc2)CCS(=O)(=O)C1	575425406	YXSSTGKWGXNKGW-IBGZPJMESA-N	630.402	2.758	0	40	KFAB	
O=C1N[C@H]2CCN(C(=O)Cn3nc4ccccc4n3)C[C@H]2CC=CCC2(CCOCC2)C(=O)N[C@@H]1Cc1ccccc1	2037957020	PVIWCJJPJLASTI-CERRFVOPSA-N	570.694	2.639	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCCO4)c(=O)n2[C@H]1c1cc(OC)ccc1OC	680292	LCBCLAOKKZZQCE-MFUBYVTQSA-N	522.579	2.587	0	40	KFAB	
Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(S(=O)(=O)Nc4cc(C)nc(C)n4)cc3)n2N)c1	2355848	UEXDNVOBUCWQRZ-UHFFFAOYSA-N	524.632	2.906	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c1	3393365	PPKQJVAJUUSNAS-UHFFFAOYSA-N	508.647	2.803	0	40	KFAB	
CC(C)CC[C@@H](NS(=O)(=O)c1cc(I)c(N)c(I)c1)C(=O)O	4522499	WCQWZIXJMLYYQN-LLVKDONJSA-N	552.172	2.646	0	40	KFAB	
COc1ccccc1-n1c(SCC(=O)NC[C@@H]2CCCO2)nnc1-c1ccc(NS(C)(=O)=O)cc1	6088780	JRLRJHKBVWHRGD-SFHVURJKSA-N	517.633	2.702	0	40	KFAB	
CCOC(=O)CN(C(=O)Cn1nnc(-c2ccc(C)cc2)n1)[C@H](C(=O)NCCC(C)C)c1ccc(O)cc1	6546240	ONRPGJXPSKDETE-VWLOTQADSA-N	522.606	2.649	0	40	KFAB	
COc1ccc(CCN2C(=O)N[C@@](NC(=O)c3cc(OC)c(OC)c(OC)c3)(C(F)(F)F)C2=O)cc1	9281469	QFMCAJMSUAVNEC-JOCHJYFZSA-N	511.453	2.504	0	40	KFAB	
COC(=O)[C@]1(Cc2ccc(O)cc2)N[C@@H](c2cccs2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21	12498030	SWAGACNLJXQZTJ-NBCVKUGOSA-N	520.563	2.830	0	40	KFAB	
CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)n2)cc1	13983334	IELPGEMRMWNPOE-UHFFFAOYSA-N	503.562	2.600	0	40	KFAB	
CC(C)NS(=O)(=O)c1ccc(CCC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1	20032931	WACNGJLBNMGOIV-UHFFFAOYSA-N	507.678	2.797	0	40	KFAB	
CCN(C(=O)COC(=O)c1ccccc1Cc1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	32666491	JPMJRPGNZWBUJS-UHFFFAOYSA-N	512.566	2.968	0	40	KFAB	
CC(=O)N[C@@H]1[C@@H](Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	98044711	AUZCUOOUVRHFOF-OMZCGLGVSA-N	559.412	2.759	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(C[C@H]3CCCO3)[C@H](C(=O)NC3CCCC3)c3ccco3)n2)cc1OC	100276485	UQUFTQIEAFJYHI-NLFFAJNJSA-N	538.605	2.758	0	40	KFAB	
NS(=O)(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCCC2)c2ccco2)cc1	100285760	AQPJRIPYQPXYHD-RUZDIDTESA-N	536.614	2.895	0	40	KFAB	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](c6cccs6)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@@H]23)OCO4)cc(OC)c1O	202773821	NRUKOCRGYNPUPR-GQVFLMFPSA-N	656.662	2.753	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225034794	DNBFXGSXISQPSH-WOJBJXKFSA-N	517.648	2.864	0	40	KFAB	
CCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	225417553	BIDLOOLYHOHIQX-OAQYLSRUSA-N	501.605	2.563	0	40	KFAB	
CO[C@H](/C=C/CC/C=C/C(=O)O)[C@H](O)[C@H](C)/C=C(\C)[C@H](O)[C@@H](C)C(=O)CCCC1CC(=O)NC(=O)C1	253389308	HJCZOTBHYAPUHT-RGQQKXIYSA-N	507.624	2.711	0	40	KFAB	biogenic,in-vitro
C[C@@H](Oc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1)C(=O)N1CCOCC1	408593226	LWYCLICJTSTANX-CQSZACIVSA-N	516.357	2.718	0	40	KFAB	
CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@H]1O[C@@H](CO[P@](=O)(O)O[P@](=O)(O)C(Cl)(Cl)P(=O)(O)O)[C@H](O)[C@@H]1O	584578827	PAEBIVWUMLRPSK-AEHQLWAISA-N	776.366	2.851	0	40	KFAB	
COCCNC(=O)[C@H](c1ccc2ncccc2c1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1	6136225	RXLAGWDNGDGTKN-NRFANRHFSA-N	504.572	2.523	0	40	KFAB	
COC(=O)C1=C(C(=O)c2ccc(OC)c(OC)c2)[C@H](c2cccc(Br)c2)n2nnnc2N1	10232388	BYCSXYIOWNLBDU-SFHVURJKSA-N	500.309	2.778	0	40	KFAB	
CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OCC(=O)Nc2ccc(F)cc2F)C(C)C)c1	15980311	RRFSZSGBFCZZPM-QFIPXVFZSA-N	525.574	2.932	0	40	KFAB	
CCOC(=O)c1ccc(NC(=O)Cn2cc(OC)c(=O)cc2CN2CCN(c3ccccc3)CC2)cc1	17306567	IHPUYNZWIQODFR-UHFFFAOYSA-N	504.587	2.995	0	40	KFAB	
Cc1cc(OCC(=O)N(C)CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)ccc1C(C)C	32971933	BMHACADWAZMDGP-UHFFFAOYSA-N	515.655	2.733	0	40	KFAB	
CC(C)C[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C)C(=O)O	38144922	VJAKAZCKYRUDIB-RVGSXTLBSA-N	573.683	2.504	0	40	KFAB	biogenic
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C(=S)NC(=O)c4ccc(OC)c(OC)c4)CC3)cc21	97951355	KYXYDALJWNHXNC-UHFFFAOYSA-N	542.589	2.713	0	40	KFAB	
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@H](CCSC)C(=O)O)CC1	100776994	PVGJWUMOTUCBBG-XWTMOSNGSA-N	519.730	2.878	0	40	KFAB	
COCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	223150224	PBPVBWXHNYEVRV-GDLZYMKVSA-N	613.708	2.628	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	223462506	SFKWAQOHFGEGTE-SFHVURJKSA-N	501.605	2.563	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	223546563	OAWJGOBPLAHMLB-FQEVSTJZSA-N	506.644	2.815	0	40	KFAB	
C[C@H](O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H](O)CCCCCCCCCCCCCCCC[C@@H](O)[C@H](C)N	253529551	FZSYYVOKNJZJTF-VUNLMCOOSA-N	535.763	2.502	0	40	KFAB	biogenic,in-vitro
CS(=O)(=O)N(CC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCCCO)Cc1ccccc1	260714292	BUPVSZQDFSLPIE-HHHXNRCGSA-N	555.672	2.726	0	40	KFAB	
Cc1cccc2cc([C@@H](CC(N)=O)c3oc(CN4C[C@@H]5C[C@H](C4)Cn4c5cccc4=O)cc(=O)c3O)c(O)nc12	524731362	UISITMQRMUBPKX-SLYNCCJLSA-N	542.592	2.696	0	40	KFAB	biogenic
CCOCCCN(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC1CCCC1)c1ccc(OC)cc1	6600145	SVCGUQOVFLNXKB-HXUWFJFHSA-N	503.625	2.502	0	40	KFAB	
Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(O)cc2)cc1	12473934	YLMZOTNBRWDHLM-RXVVDRJESA-N	509.588	2.522	0	40	KFAB	
C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1=O	12565591	MDRPAWUVHDXUDC-QHCPKHFHSA-N	504.996	2.920	0	40	KFAB	
Cc1ccc(F)c(-n2c(SCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)nc3ccsc3c2=O)c1	102852831	ZTZALZVECPBUKS-UHFFFAOYSA-N	532.644	2.993	0	40	KFAB	
Cc1ccc(NC(=S)NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1S(=O)(=O)N1CCCCC1	102926015	QIWNOQSWYIBNOQ-UHFFFAOYSA-N	594.781	2.636	0	40	KFAB	
COc1cc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)ccc1OCc1c(C)noc1C	103057231	NEUFPOBHXIGTNE-UHFFFAOYSA-N	557.625	2.877	0	40	KFAB	
C[C@@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1=O	103140139	PCZKVDDXMNUDPA-SANMLTNESA-N	541.029	2.793	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O	223578321	IQOPEVDWDFHQOE-IBGZPJMESA-N	503.621	2.823	0	40	KFAB	
COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCOc3ccc(S(=O)(=O)N(C)C)cc3)cc2)cc1	224218390	QIWDNVWDTPRJLX-UHFFFAOYSA-N	547.655	2.579	0	40	KFAB	
CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	225713167	PXRGILDNALHXRB-QFIPXVFZSA-N	517.648	2.946	0	40	KFAB	
C[C@@H](C(=O)Nc1ccc(I)cc1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O	408704501	OOKIDBRLJAAHAQ-LBPRGKRZSA-N	502.330	2.856	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\[C@H]3C(=O)NC(=S)N(c4ccccc4)C3=O)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1	409037628	YBUAZFKZOMIQOM-HCSFNWHUSA-N	634.736	2.610	0	40	KFAB	
CCc1ccc(O[C@H](C)C(=O)NCc2nnc(SCC(=O)N3CCN(c4ccccc4)CC3)n2C)cc1	409162708	HDHZJHZEHCQIBS-HXUWFJFHSA-N	522.675	2.902	0	40	KFAB	
CC(=O)Nc1ccc(CN2C[C@@H]3C[C@H]2C(=O)NC[C@H]2O[C@H](CCOc4cc(-c5ccncc5)ccc4C(=O)N3)CC[C@@H]2O)cc1	514287641	SJGXUPYKRNYUJU-QTMQOBRPSA-N	613.715	2.887	0	40	KFAB	
COCC(=O)N1CCN(Cc2cccc(OCCCn3cccn3)c2)C[C@@](O)(COc2ccc(F)c(F)c2)C1	585274927	RSCFTVUFDZQXJQ-NDEPHWFRSA-N	544.599	2.731	0	40	KFAB	
CC(C)[C@H]1NC(=O)CC[C@@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)NC(=O)c2ccccc2OCCCNC1=O	643567059	QLQZJFWALRFFAR-LBNVMWSVSA-N	596.700	2.608	0	40	KFAB	
CCC(=O)OCCC(=O)O[C@@H]1[C@@H](N(C)C)C[C@@H](C)O[C@@H]1O[C@@H]1[C@@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[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@]1(C)O	1547138065	OZJXTWMDBPQRGI-BXKRAOTDSA-N	862.064	2.680	0	40	KFAB	
COc1ccc(CCNC(=S)N(CCN(C)C)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1OC	6198574	PFTYTRPNPPJZQZ-UHFFFAOYSA-N	512.632	2.755	0	40	KFAB	
CCOc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OC)=C(C)N=3)ccc1OC(C)=O	13590999	DFBYMTKLXUTLPY-IGSWSUAKSA-N	522.579	2.741	0	40	KFAB	
CCOc1cc(C(=O)N(CC)CC(=O)Nc2c(F)cccc2F)ccc1OCC(=O)N1CCOCC1	32999614	HNAQZRWCRRROKJ-UHFFFAOYSA-N	505.518	2.702	0	40	KFAB	
C[C@H](CCCOS(=O)(=O)O)[C@@H]1CC[C@H]2[C@@H]3[C@H](C[C@H](OS(=O)(=O)O)[C@@]21C)[C@@]1(C)CC[C@@H](OS(=O)(=O)O)C[C@@H]1C[C@H]3OS(=O)(=O)O	72400313	PSPMMBBPCMUWKR-BGKVACQHSA-N	714.852	2.665	0	40	KFAB	in-vitro
O=C(Nc1snnc1C(=O)N1CCN(c2ccccn2)CC1)N1CCN(c2cccc(Cl)c2)CC1	96319530	VIPSIFGUIINCHA-UHFFFAOYSA-N	513.027	2.903	0	40	KFAB	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)O[C@@H](C)C(=O)NCc1ccc3c(c1)OCO3)n2C	103054947	QZOLUHOURBIPDS-KRWDZBQOSA-N	544.630	2.513	0	40	KFAB	
Cc1ccc(NC(=O)COC(=O)c2ccc(/C=C3\SC(=O)N(CC(=O)N4CCOCC4)C3=O)cc2)cc1	106711477	PCKJXNFPGYMTQY-STZFKDTASA-N	523.567	2.686	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O	224058522	LALOODBDJBDTSA-OAHLLOKOSA-N	531.603	2.941	0	40	KFAB	
COC(=O)CSc1nnc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)cc2)s1	224118120	BKMUJAWVQXAYCB-UHFFFAOYSA-N	526.593	2.785	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2ccccc2OC)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C)c1	224437234	LENFMYFQNVNOKW-IBGZPJMESA-N	505.637	2.659	0	40	KFAB	
CCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O	224569964	LARMOFYICDMECP-OAQYLSRUSA-N	505.637	2.722	0	40	KFAB	
CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	224628017	MXLWXSYWJQURNY-HSZRJFAPSA-N	531.675	2.990	0	40	KFAB	
COc1ccccc1NC(=O)COc1ccc(/C=c2\sc3nc(-c4ccncc4)nn3c2=O)cc1OC	256055678	PKDKIAGBDSLLCH-HMAPJEAMSA-N	515.551	2.795	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccccc2)cc1	409027817	FKYIWUQBWYSWON-UHFFFAOYSA-N	523.611	2.964	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)Cc2ccccc2)cc1	409069182	LUKBIVIDDUAXNL-UHFFFAOYSA-N	537.638	2.959	0	40	KFAB	
O=C1CC[C@@H](C(=O)NCCS(=O)(=O)c2ccc(F)cc2)NC(=O)c2cc(Cl)ccc2OCCCCCN1	643570545	DTRXFRPBVMQAMD-NRFANRHFSA-N	554.040	2.627	0	40	KFAB	
CCOC(=O)Cn1nnnc1CN(Cc1ccc2c(c1)OCO2)Cc1cc2c(C)cc(C)cc2[nH]c1=O	927464	SPQFBPVGQXSEOL-UHFFFAOYSA-N	504.547	2.626	0	40	KFAB	
C[C@H](NS(=O)(=O)c1cccc2nsnc12)C(=O)OCC(=O)Nc1nc(-c2ccccc2)cs1	3278381	QGFXQWIDGNGHMR-LBPRGKRZSA-N	503.587	2.664	0	40	KFAB	
Cc1nc(NC(=O)COC(=O)CNS(=O)(=O)c2ccc(Br)cc2)c(Cl)cc1Cl	3360991	SLJILMYYIXWCEF-UHFFFAOYSA-N	511.181	2.920	0	40	KFAB	
CCOC(=O)CNC(=O)[C@H](c1c[nH]c2ccccc12)N(C(=O)c1snc(C(N)=O)c1N)c1cc(C)ccc1C	6546896	ITFNLFRLSQGCHE-QHCPKHFHSA-N	548.625	2.990	0	40	KFAB	
CCOC(=O)COc1c(I)cc(/C=C2/SC(=O)N(CC(=O)OCC)C2=O)cc1OC	8384075	RFABILFMGPAKHO-RIYZIHGNSA-N	549.339	2.841	0	40	KFAB	
COC(=O)c1ccc(NC(=O)CSc2ccc3nnc(CCNC(=O)c4ccc(OC)cc4)n3n2)cc1	9578613	GTYAQCCVFAZMGI-UHFFFAOYSA-N	520.571	2.623	0	40	KFAB	
COc1ccc(NC(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)cc1S(=O)(=O)N1CCCCC1	12861680	LBAZSBMDNLWUQC-SSOJOUAXSA-N	520.652	2.945	0	40	KFAB	
COc1cn(CC(=O)Nc2ccc3c(c2)OCCO3)c(CN2CCN(c3ccc(F)cc3)CC2)cc1=O	16974618	ITYSJEKNHXIZKY-UHFFFAOYSA-N	508.550	2.728	0	40	KFAB	
COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O	22513784	UHOKMQCGUXGSGA-UHFFFAOYSA-N	504.030	2.748	0	40	KFAB	
Cc1cc(Cl)ccc1OCC(=O)OCC(=O)N(CC(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	24772180	BAHGUWSKUVNJRL-UHFFFAOYSA-N	528.993	2.740	0	40	KFAB	
CCN(CC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1	59838159	FGBGXBVRCYUVHQ-UHFFFAOYSA-N	544.095	2.850	0	40	KFAB	
CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)OC[C@H](O)CO)[C@H]21	67665417	JWLPSAWDZUGURB-DCOASORXSA-N	510.668	2.918	0	40	KFAB	in-vitro
COc1ccc(N2C(=O)NC(=O)[C@@](Cc3cc(OC)c(OC)c(OC)c3)(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)C2=O)cc1	70669791	HKHWVPSZKLHYNK-JBRBIWQXSA-N	616.671	2.814	0	40	KFAB	biogenic
CC(C)Cn1c(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C	96306552	XIBMVMCPFIXNBZ-UHFFFAOYSA-N	500.647	2.997	0	40	KFAB	
COc1ccc(C(=O)COC(=O)[C@@H](CCCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1	100560973	LQGWKUTVXTZSLQ-QNVNYKRISA-N	586.641	2.574	0	40	KFAB	
COc1ccc(CC(=O)NCCn2ncc3c(=O)n(Cc4ccc(Br)cc4)cnc32)cc1OC	101007959	NZIJPWFSIWIJHK-UHFFFAOYSA-N	526.391	2.780	0	40	KFAB	
O=c1cc(CN2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)nc2sc(-c3ccccc3F)nn12	102350167	FTYLKWUTUTUMGD-UHFFFAOYSA-N	521.546	2.742	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	223127993	MXAPVAWGUORWEV-ZWKOTPCHSA-N	510.607	2.910	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O	225479171	CKPKUUJIPIDIIQ-KRWDZBQOSA-N	510.454	2.995	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1cccc(C)c1)[C@@H](C)C(=O)NC(C)C)c1ccc2c(c1)OCO2	225508590	BJAAIXIQROEYON-IBGZPJMESA-N	503.621	2.822	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)[C@H](C)C(=O)NC(C)(C)C)c1	260773304	IQBUYOIRYYLGOB-GOSISDBHSA-N	535.663	2.810	0	40	KFAB	
CSc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1C(=O)N1CCOCC1	408714618	KVTDVBBQNHJPON-UHFFFAOYSA-N	554.697	2.939	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccccc2)cc1OC	409172245	FCTWYUJXPIFUPS-UHFFFAOYSA-N	553.637	2.972	0	40	KFAB	
CS(=O)(=O)Nc1ccn(CCNC(=O)c2ccc3c(c2)CNCCCCCCCN3C(=O)c2ccncc2)n1	643584801	SWUNUAQJVIBFMQ-UHFFFAOYSA-N	553.689	2.780	0	40	KFAB	
OC[C@@H](O)[C@H]1OCCCCCCOc2cccc(c2)N(Cc2cnn(-c3ccc(Cl)cc3)c2)C[C@@H](O)[C@H]1O	2037972595	CXDGHINXUOLPID-BIYDSLDMSA-N	546.064	2.945	0	40	KFAB	
Cc1cc(NC(=O)CSC2=Nc3ccccc3C3=N[C@@H](CC(=O)NCc4ccc(F)cc4)C(=O)N23)n[nH]1	2968293	ZSFPBELQZGANJF-IBGZPJMESA-N	519.562	2.894	0	40	KFAB	
COc1ccccc1N1CCN(C(=O)[C@H]2CN3CC[C@@H]2C[C@@H]3Cn2cc(COc3ccccc3)nn2)CC1	8254081	FOVGBARQEPYSKB-NOOIUNMQSA-N	516.646	2.925	0	40	KFAB	biogenic,in-vitro
CC1(C)[C@@H](C(=O)N(Cc2ccco2)C2(C(=O)NC3CCCCC3)CCCCC2)N2C(=O)C[C@@H]2S1(=O)=O	8876515	XSASMXYTKLTUCW-FCHUYYIVSA-N	519.664	2.894	0	40	KFAB	biogenic
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3	12650202	XYYSJBBTGXQHQA-AWEZNQCLSA-N	517.629	2.796	0	40	KFAB	
CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N12)C(=O)N[C@H](C)C(=O)O	12884218	WBMOUMRUWNKLGQ-LUNJZBBXSA-N	502.571	2.758	0	40	KFAB	biogenic
O=C(COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc3c(c1)OCO3)CC2)N[C@@H]1CCS(=O)(=O)C1	13525866	DHKOKBJLEIPRHU-ZKTNYTPDSA-N	520.563	2.910	0	40	KFAB	
O=C(Nc1ccc(F)cc1)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	20239170	UADFIPGQHVZMDK-QFIPXVFZSA-N	503.577	2.528	0	40	KFAB	
CN(C)S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)C1	22517947	OPNVMQYTXLZBPL-HNNXBMFYSA-N	501.030	2.598	0	40	KFAB	
CCOC(=O)C1=C(C)C2[C@@H]3C(=O)N(c4ccc(OC(C)=O)cc4)C(=O)[C@@H]3C1(C)[C@H]1C(=O)N(c3ccc(OC(C)=O)cc3)C(=O)[C@H]21	68581372	KZOLWLNXXNOVAL-DYFKVIDYSA-N	614.607	2.978	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCCN(CC(N)=O)CCCN(S(=O)(=O)c3ccc(C)cc3)CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1	95101074	MOVAUVDESXLGHB-UHFFFAOYSA-N	719.952	2.565	0	40	KFAB	
O=C(CCCn1c(SCC(=O)NCc2ccco2)nc2cc3c(cc2c1=O)OCO3)NCc1ccc2c(c1)OCO2	102755609	KERIRFRAXUKQBK-UHFFFAOYSA-N	578.603	2.952	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1OC	105497313	YTTBQCQBBGWLEV-PLQXQRLBSA-N	552.605	2.749	0	40	KFAB	
CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	222624440	OESHERFFIBLHDS-OAQYLSRUSA-N	523.627	2.941	0	40	KFAB	
COc1ccc(CNC(=O)[C@H](C)N(Cc2ccc(OC)cc2)C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	222933446	GTIXIYYWSAFSAD-QHCPKHFHSA-N	611.717	2.837	0	40	KFAB	
COc1ccc(CNC(=O)[C@H](Cc2ccccc2)N(Cc2ccc(OC)cc2)C(=O)CN(C)S(C)(=O)=O)cc1	223255885	MOYUZDSEECMHFS-MHZLTWQESA-N	553.681	2.852	0	40	KFAB	
COc1ccc(C)cc1N(CC(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)S(=O)(=O)c1ccccc1	224203872	MGIRJIRCBUUQNZ-UHFFFAOYSA-N	561.682	2.644	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	225232808	FUJZSBIJLMCIQH-QZTJIDSGSA-N	510.607	2.910	0	40	KFAB	
CCN(CC(=O)N1C[C@@H](C(=O)NCCc2ccccc2)Oc2ccccc21)S(=O)(=O)c1ccc(F)cc1	226056390	JVUKIYJQQDFSFL-VWLOTQADSA-N	525.602	2.989	0	40	KFAB	
CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	260923838	GVVZEQBFHPDVNW-GCJKJVERSA-N	533.647	2.912	0	40	KFAB	
Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(N2C[C@H](C(=O)NC[C@H](C)O)CC2=O)cc1	408574202	CVADPVYJRRWXGC-DLBZAZTESA-N	518.408	2.933	0	40	KFAB	
CC1CCC(N2C[C@@H]3C[C@H]2C(=O)NC[C@H]2O[C@H](CCOc4cc(-c5cnn(C)c5)ccc4C(=O)N3)CC[C@@H]2O)CC1	514287455	DAAKMIAVZINODR-UMFQJKTESA-N	565.715	2.646	0	40	KFAB	
COc1cc(CN2CCN(C(C)=O)C[C@](O)(COc3ccccc3)C2)ccc1OCCCn1cccn1	585281311	YTOXEKFEGAUGRA-NDEPHWFRSA-N	508.619	2.835	0	40	KFAB	
COc1ccc(CCCNC(=O)[C@@H]2CC(=O)N3CCC[C@H]3C(=O)N[C@H](CC(C)C)COc3ccccc3C(=O)N2)cc1OC	643565778	NGBOGHVPPXPCAS-AFESJLNVSA-N	608.736	2.856	0	40	KFAB	
CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1OC[C@@H](C)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O	2037879596	GMVQEHPOHXCEAG-NQERJWCQSA-N	505.999	2.728	0	40	KFAB	
Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)cc(C(=O)OCC(=O)N[C@@H]3CCS(=O)(=O)C3)c12	3424784	NRBSCOFWFRJVQU-LJQANCHMSA-N	504.568	2.856	0	40	KFAB	
COCCNC(=O)[C@H](c1ccc2ncccc2c1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)cc1	6245096	RCPBUYZDWHBROH-QFIPXVFZSA-N	518.599	2.832	0	40	KFAB	
CCOCCCN(C(=O)Cn1nnc(-c2ccc(OC)cc2)n1)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccc(F)cc1	6600136	HJGONAHAGVEMGQ-AOYPEHQESA-N	554.623	2.780	0	40	KFAB	
O=C(Nc1ccc(N2CCOCC2)cc1)[C@@H](c1csnn1)N(Cc1cccnc1)C(=O)CN1C(=O)c2ccccc2C1=O	8695981	QYJNJRVDDYWION-HHHXNRCGSA-N	597.657	2.775	0	40	KFAB	
O=S(=O)(c1ccc(OC[C@@H](O)CN2CCCCC2)cc1)c1ccc(OC[C@H](O)CN2CCCCC2)cc1	13549888	WDDDEGWQAMRTDL-PSWAGMNNSA-N	532.703	2.971	0	40	KFAB	
COc1cccc([C@H](C(=O)NC[C@@H]2CCCO2)N(Cc2ccc3c(c2)OCO3)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1	100341443	KYHRLSZYMCSAIY-MUAVYFROSA-N	621.668	2.634	0	40	KFAB	
Cc1c(Cl)cccc1N(CCCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(C)(=O)=O	223237612	NRTNNWQFTLLMOV-UHFFFAOYSA-N	530.068	2.854	0	40	KFAB	
CS(=O)(=O)N(CCCC(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(Cl)cc1	224328450	YGQDGQMDJXVUOT-UHFFFAOYSA-N	544.095	2.866	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCN(Cc2ccc(Cl)cc2F)CC1	224500716	XAJFIGOFBFYBBV-UHFFFAOYSA-N	540.057	2.907	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O	225374127	OZMHZXSULZQPBB-OALUTQOASA-N	515.632	2.952	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)[C@H](C)C(=O)NC(C)(C)C)cc1	260818001	WYWYFCNSKCBSAR-GOSISDBHSA-N	535.663	2.810	0	40	KFAB	
O=C(NCCSC1CCCCC1)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	409023433	XCOWLLVAGCVXTM-XMMPIXPASA-N	551.756	2.933	0	40	KFAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)O)cc3)c(=O)n2[C@@H]1c1ccccc1OC	409104842	IRYBYFRQAJODRN-WNRWPCNTSA-N	535.622	2.576	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCCC4)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1	409153415	HXQNSNNFVNVIML-QEYQTOMISA-N	561.660	2.808	0	40	KFAB	
COc1ccc(CCNC(=S)N(CCCO)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1OC	6240108	BDZBBVWMBHOOPK-UHFFFAOYSA-N	513.616	2.618	0	40	KFAB	
CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4cccc(S(C)(=O)=O)c4)o3)cc2)CC1	9346721	JINCMQJSQKQKKQ-UHFFFAOYSA-N	504.590	2.813	0	40	KFAB	
COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(-n3cnnn3)c(C)c2)cc1	33356956	LVFKPXAAIOVGRJ-FUFSCUOVSA-N	581.637	2.794	0	40	KFAB	
COC(CNC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)OC	49942360	HILGGRLSUGSIMC-UTYLXRCDSA-N	533.662	2.877	0	40	KFAB	
CC(=O)c1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1	59816506	ZNWLQYFXUANNIK-LJAQVGFWSA-N	567.690	2.952	0	40	KFAB	
O=S(=O)(c1ccc(OC[C@H](O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1)N1CCOCC1	102939559	COWFRFPPBUNWDX-HHHXNRCGSA-N	551.709	2.854	0	40	KFAB	
CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)c1	103034206	VGPPIEZCXPGGOB-UHFFFAOYSA-N	546.067	2.652	0	40	KFAB	
CCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	225401195	IOEPXNYRXQDRRO-JOCHJYFZSA-N	535.663	2.812	0	40	KFAB	
COc1ccc(CN(C(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C)C(=O)NC(C)C)cc1	225678691	DKDRSVMUUQSYAO-SFHVURJKSA-N	501.605	2.562	0	40	KFAB	
CCOc1ccccc1N(CC(=O)N(Cc1ccc(OC)cc1)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O	260710548	CVVLKMXMXZNHQW-LJQANCHMSA-N	505.637	2.802	0	40	KFAB	
O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)NCCCn1ccnc1	408602022	BTZOSAXQVOIXJS-UHFFFAOYSA-N	524.384	2.890	0	40	KFAB	
CC[C@@H]1CCCCN1C(=O)Cn1cc(I)c(=O)c(I)c1	514295827	FWBYNXZUDFFAPK-SNVBAGLBSA-N	500.118	2.849	0	40	KFAB	
COC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@H]1CN(C(=O)Nc2ccccc2)CCN1C(=O)C1CCCCC1	3842161	ZAGBVBQEPHHTTO-DNQXCXABSA-N	521.618	2.607	0	40	KFAB	biogenic,in-vitro
CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)N[C@@H](CCC(=O)Oc1ccccc1)C(N)=O	4016605	QYVVHYYWZLGGLY-VXKWHMMOSA-N	541.601	2.759	0	40	KFAB	
CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)N1CCC(C(=O)N2CCC[C@H]2C(=O)O)(c2ccccc2)CC1	8791412	YXTBHKSPYVCYMW-VQTJNVASSA-N	517.648	2.932	0	40	KFAB	biogenic
COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)OCC(=O)N1CCN(c2ccccc2)CC1	12638861	WAPRTUDSEIWTFI-UHFFFAOYSA-N	513.550	2.997	0	40	KFAB	
CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12)C(=O)N[C@H](C)C(=O)O	12884212	WBMOUMRUWNKLGQ-WQHHBQTKSA-N	502.571	2.758	0	40	KFAB	biogenic
CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N12)C(=O)N[C@@H](C)C(=O)O	12886420	WBMOUMRUWNKLGQ-IMQALNIVSA-N	502.571	2.758	0	40	KFAB	biogenic
COc1cc([C@@H]2c3cc4c(cc3[C@H](OC(=O)CCC(=O)O)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC	17299354	FQGIDCZRZSKLJZ-CSPLRURBSA-N	514.483	2.825	0	40	KFAB	biogenic,in-vitro
Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)CC1	59923359	BHUIGUSWTPFZMD-UHFFFAOYSA-N	529.644	2.766	0	40	KFAB	
COc1ccc(CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@H](C(=O)NC[C@H]2CCCO2)c2cccs2)cc1	100377954	BWHNATNAZOTYGH-RLWLMLJZSA-N	583.688	2.967	0	40	KFAB	
COC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)C(c3ccccc3)c3ccccc3)C2)cc1	138828342	FNGZTHUUWYFSRH-QFIPXVFZSA-N	529.549	2.667	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O	222419652	PFHQWZOHCMFHGO-INIZCTEOSA-N	543.427	2.529	0	40	KFAB	
COCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	223293582	PZTJYTWIACSWOO-GDLZYMKVSA-N	581.691	2.619	0	40	KFAB	
COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C(=O)NCCc2ccc(OC)c(OC)c2)cc1	225114926	YEUSQYPLFYFVGK-UHFFFAOYSA-N	541.626	2.944	0	40	KFAB	
CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	225273036	OQTRINUICDGAQG-JOCHJYFZSA-N	510.607	2.911	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(Cl)cc4)C3)CC2)cc1	225547447	CBJPCONIRZKROU-IBGZPJMESA-N	526.080	2.582	0	40	KFAB	
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	257492084	NGMYNFJANBHLKA-JFKKYSDBSA-N	514.527	2.595	0	40	KFAB	biogenic
COc1cc(OC)cc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3ccc(Br)c(C)c3C)CC2=O)c1	408651319	DEDMETUBTJSWAV-INIZCTEOSA-N	548.390	2.758	0	40	KFAB	
COc1ccc(N(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)S(=O)(=O)c2ccccc2)cc1	409027799	RRPGEKZUQZUWIA-UHFFFAOYSA-N	523.611	2.964	0	40	KFAB	
Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@]1(CC(=O)N2)C(=O)N(CC(=O)Nc2ccc(F)cc2)c2ccccc21	524732977	HNBOLCTWGYZELM-HHHXNRCGSA-N	537.515	2.600	0	40	KFAB	
COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC2(CCCCOCCN(C)C(=O)c3ccccc3OC2)CC1	643580123	QYIZFENXFUYHJD-UHFFFAOYSA-N	559.685	2.917	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(-c3coc4cc(OC(C)=O)cc(OC(C)=O)c4c3=O)cc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	5225065	QINULWUIRTUVTD-GLSNPSABSA-N	684.603	2.773	0	40	KFAB	biogenic
O=C(CN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccccc1	13496977	DANKUSQXVHFQCO-NRFANRHFSA-N	521.661	2.670	0	40	KFAB	
O=C(CCc1nnc2n(Cc3ccc(Cl)cc3)c(=O)c3ccccc3n12)NCCCN1CCOCC1	20378243	LRXGHYFIWAREQI-UHFFFAOYSA-N	509.010	2.517	0	40	KFAB	
CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cc(OC)c(OC)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1OC	408987337	WNRZZOPKTACAEI-GGARDQMFSA-N	626.684	2.775	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccc(Br)cc43)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	409109494	GBQJCPUCQCANJN-GOBJLOIFSA-N	568.405	2.612	0	40	KFAB	
NC(=O)C[C@H](c1oc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c1O)c1ccnc2ccccc12	524730362	GUMPOPDULGGVFT-FGSXEWAUSA-N	512.566	2.682	0	40	KFAB	biogenic
CN(C)c1ccc(C(=O)N2CCO[C@](COc3cccc(Cl)c3)(CC(=O)N3CCOCC3)C2)cc1	585286108	NCLDTCUJGYJBAF-AREMUKBSSA-N	502.011	2.945	0	40	KFAB	
CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)NC2CCCC2)NC(=O)c2ccccc2OCCCCCCNC1=O	1615153613	DBNTYKBKYVZEOW-GOTSBHOMSA-N	514.667	2.834	0	40	KFAB	
COc1ccc(-c2nnc(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)n2-c2cccc(C(F)(F)F)c2)cc1	3360361	KPBQUJHQPKXRGM-UHFFFAOYSA-N	546.531	2.916	0	40	KFAB	
N[C@H](CCC(=O)N[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NCC(=O)O)C(=O)O	5067028	WLSQFRDQFMRSMZ-DNQXCXABSA-N	549.649	2.589	0	40	KFAB	
CCOC(=O)CNC(=O)[C@@H](c1c[nH]c2ccccc12)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(F)cc1	6546585	MZTGZYSZOZBNGZ-OAQYLSRUSA-N	538.561	2.512	0	40	KFAB	
CC(=O)c1cccc(S(=O)(=O)N2CCC[C@H](c3nc4c(nnn4Cc4ccc(C)cc4)c(=O)[nH]3)C2)c1	15907290	NWXSILBXVLZCHF-FQEVSTJZSA-N	506.588	2.642	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)Cc2ccccc2)cc1	59838105	ARPYSYJTHNFZMR-UHFFFAOYSA-N	545.683	2.843	0	40	KFAB	
O=C1[C@@H]2[C@@H](Cc3ccc(O)cc3)N[C@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C(=O)N1Cc1ccc2c(c1)OCO2	70701459	USLUCCCHZMUGNA-LBLLCNBYSA-N	531.952	2.938	0	40	KFAB	biogenic
CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)c2ccc(OC(F)F)cc2OC(F)F)cc1	103057619	SWBKHDJJIOWNRN-UHFFFAOYSA-N	536.456	2.894	0	40	KFAB	
C[C@H]1CN(C(=O)COc2ccc(S(=O)(=O)c3ccc(OCC(=O)N4C[C@H](C)O[C@H](C)C4)cc3)cc2)C[C@@H](C)O1	103110023	SJSDDOOPPNKPAV-COPRSSIGSA-N	560.669	2.549	0	40	KFAB	
COC(=O)COc1c(I)cc(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)cc1OC	106765631	JLZGKXVAHDJSHX-DHDCSXOGSA-N	560.366	2.510	0	40	KFAB	
COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)[C@H](C)C(=O)NC[C@@H]2CCCO2)cc1	222965471	FYFHABXGACECMG-NLFFAJNJSA-N	543.686	2.781	0	40	KFAB	
CC(C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	224690737	JJHWUKYAUWUKNR-OAHLLOKOSA-N	522.421	2.536	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)[C@@H](C)C(=O)NC(C)C)c1	225660615	MFVPIBLWNLXLLP-NRFANRHFSA-N	518.680	2.867	0	40	KFAB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(I)c(O[C@@H](C)C(=O)O)c(OC)c3)C2=O)o1	409399376	HNFWMMUGJJUNFM-IXIHQHOXSA-N	570.292	2.624	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccc(Br)cc43)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	2799497	UHZFNGHPZKCYQM-SADKCHQCSA-N	584.448	2.900	0	40	KFAB	
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(C(=O)c3cccc(C(=O)O)c3)C2)cc1	4150057	ZMYLQQGDMCCRAH-FXAWDEMLSA-N	550.593	2.565	0	40	KFAB	biogenic,in-vitro
COc1ccccc1NC(=O)C[C@H]1C(=O)NCCN1C(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1	59607538	AJCGAFXZNQLOGL-MHZLTWQESA-N	555.679	2.758	0	40	KFAB	
Cc1nccn1-c1ccccc1CNC(=O)CN(c1ccc(I)cc1)S(C)(=O)=O	60028607	GMLFSFWMRWGWGH-UHFFFAOYSA-N	524.384	2.868	0	40	KFAB	
COc1ccc(/C=C2\SC(=O)N(CCNC(=O)CCNS(=O)(=O)c3ccc(C)cc3)C2=O)cc1OC	97980317	RJCNKYVZTODRCV-QNGOZBTKSA-N	533.628	2.533	0	40	KFAB	
COc1cc([C@H](C(=O)NC[C@@H]2CCCO2)N(Cc2ccc3c(c2)OCO3)C(=O)Cn2nnc3ccccc32)ccc1O	100336342	VLLDDLNARIMKCG-KCWXNJEJSA-N	573.606	2.940	0	40	KFAB	
CCN(C(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	103007780	LRIFBOVLOWCHSA-UHFFFAOYSA-N	552.679	2.927	0	40	KFAB	
O=C(COC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1F)NC(=O)Nc1ccc2c(c1)OCCO2	103016925	YJOIFEIEXAQCLO-NRFANRHFSA-N	569.567	2.604	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(I)o3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409030983	GAVCKDMWDXYUMS-JDDNKDTNSA-N	652.463	2.946	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C)c4ccc(Br)cc43)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	409110847	AMFTWJOZVUVBCU-RKKARLDVSA-N	598.475	2.925	0	40	KFAB	
CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCCn1c(=O)oc2ccccc21	514378234	CKIDHJWFWMPUMT-UHFFFAOYSA-N	503.577	2.822	0	40	KFAB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc4c(c3)n(C)c(=O)n4C)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	2076438	HZGBZODLAGVAIK-FSFYKJEYSA-N	594.649	2.855	0	40	KFAB	
NC(=O)C1CCN(c2nc3c(S(=O)(=O)c4ccc(Br)cc4)nnn3c3ccccc23)CC1	9830031	BQZHXJGHEVTNRK-UHFFFAOYSA-N	515.393	2.575	0	40	KFAB	
CCOC(=O)N1CCN(C(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2cc(C)ccc2OC)CC1	10300353	SVVQBOPXPOBZKN-UHFFFAOYSA-N	519.620	2.898	0	40	KFAB	
COCCOc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCO3)C1=O	12589974	RPNXBPDTYSBOEQ-QFIPXVFZSA-N	509.437	2.865	0	40	KFAB	
CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cccc2ccccc12	19931641	NEHULMNHSUBBEU-UHFFFAOYSA-N	511.585	2.835	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc4c(cc3C)OCO4)c(=O)n2[C@H]1c1cc(OC)ccc1OC	22846939	GNPVEYHYHSABGQ-SPVXFMEISA-N	522.579	2.853	0	40	KFAB	
CC(C)[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12)C(=O)N1CCC[C@H]1C(=O)O	35807385	VWUWNUTZUMIYFS-KELBGUDLSA-N	514.582	2.854	0	40	KFAB	biogenic
CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)cc1C	59838750	LXVXRUBZDVXBOH-UHFFFAOYSA-N	549.715	2.895	0	40	KFAB	
O=C1[C@@H]2[C@H](Cc3ccc(O)cc3)N[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C(=O)N1Cc1ccc2c(c1)OCO2	70699152	KEAWQTGGKQATSK-GXCDUKDASA-N	531.952	2.938	0	40	KFAB	biogenic
CC(=O)c1cc2c(cc1N(C(=O)Cn1nnc3ccccc31)[C@@H](C(=O)NC[C@H]1CCCO1)c1cccn1C)OCO2	100335886	LZJRHHUOUYZECT-WHLCRQNOSA-N	558.595	2.771	0	40	KFAB	
COC(=O)Cn1c(=O)c(C(=O)COC(=O)c2ccc(Cl)cc2NC(=O)c2ccc(F)cc2)c(N)n(Cc2ccccc2)c1=O	103085743	QGFGWIHQJNGMCJ-UHFFFAOYSA-N	622.993	2.898	0	40	KFAB	
CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	222916884	HWCOXGUSUXOGNR-JOCHJYFZSA-N	519.664	2.844	0	40	KFAB	
COc1ccc(NC(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1S(=O)(=O)N1CCCCC1	223091917	NGZNYPPXFWQQAK-QGZVFWFLSA-N	525.649	2.672	0	40	KFAB	
CC[C@H](NC(=O)CCc1cc(S(=O)(=O)N2CCOCC2)ccc1OC)c1ccc(OC)c(OC)c1	223876428	PBRAWGFGCYVZMJ-NRFANRHFSA-N	506.621	2.933	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	225434021	VPYVJWBQFFWTDQ-WOJBJXKFSA-N	519.664	2.844	0	40	KFAB	
CC(C)C[C@@H]1NC(=O)CC[C@@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)NC(=O)c2ccccc2OCCCNC1=O	643567383	FAUOUNCAAOGLDD-SVBPBHIXSA-N	610.727	2.999	0	40	KFAB	
COc1cccc(-c2ccc3c(c2)O[C@H]2CN(C4CCCCC4)C[C@H]2N(C)C[C@@H](O)CNS3(=O)=O)c1	1534612615	JGDZIDHYBBBKJE-FBILRYNDSA-N	515.676	2.711	0	40	KFAB	
COC(=O)/C=C/CC/C=C/[C@H](OC)[C@H](O)[C@H](C)/C=C(/C)[C@@H](O)[C@@H](C)C(=O)CCCC1CC(=O)NC(=O)C1	1775963846	GNDOFUKVROHLCO-BYSSPGSOSA-N	521.651	2.800	0	40	KFAB	biogenic,in-vitro
CCOc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(C)o2)cc1	6600989	RRCFKQVSMWFYKP-UWJYYQICSA-N	527.603	2.808	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCOCC4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1	8445317	MFPAKNRWUVZZMK-POEBIKTISA-N	588.480	2.999	0	40	KFAB	
COc1ccc(CCNC(=O)Cn2c(=O)n(-c3cc(OC)c(OC)c(OC)c3)c(=O)c3ccccc32)cc1OC	8592186	ICPQVKQSMJZJMC-UHFFFAOYSA-N	549.580	2.554	0	40	KFAB	
CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)CCNC(=O)c1ccc(Br)cc1	12523040	CRYSBZCYEBBLHX-UHFFFAOYSA-N	503.397	2.503	0	40	KFAB	
COc1cc2nc(CN3CCN(S(=O)(=O)c4ccc(C(C)(C)C)cc4)CC3)[nH]c(=O)c2cc1OC	12567997	IVGSGJQQLWZLEM-UHFFFAOYSA-N	500.621	2.744	0	40	KFAB	
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)NCC1CCC(C(=O)O)CC1	38139990	BSVJWNAVNNNGFO-WXESENMXSA-N	580.707	2.719	0	40	KFAB	biogenic
Cc1cccc(-c2nn3c(=O)cc(CN4CCN(S(=O)(=O)c5ccc(F)c(F)c5)CC4)nc3s2)c1	41077548	AEJKVYJWBZGXSY-UHFFFAOYSA-N	517.583	2.911	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC(C)=O)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	59418430	DYFUVCULJQQLHH-RWTNITNYSA-N	522.579	2.741	0	40	KFAB	
Cn1c(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c(O)c1CN1CCN(CCOc2ccccc2Cl)CC1	85879873	KBMZAYZENZMWFA-PKTZIBPZSA-N	580.129	2.722	0	40	KFAB	biogenic
COc1ccc(CCNC(=O)[C@@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1OC	101063162	SSDGBZKNACKZHQ-DEOSSOPVSA-N	543.686	2.763	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@@H](NC(=S)Oc2cccc(Oc3ccccc3)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	101572927	NSLNXOJKPCPSDD-QJJBCJIQSA-N	575.592	2.815	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O	222612281	IKWKDQAOFDXLDN-HNNXBMFYSA-N	514.417	2.826	0	40	KFAB	
CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	222841886	QVKKWUFNKWLYQT-OAQYLSRUSA-N	501.605	2.562	0	40	KFAB	
CCCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CN(C)S(C)(=O)=O	223257014	YAHNNNAVTPTHJB-DEOSSOPVSA-N	503.665	2.833	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)cc1	224227561	WTHPDBQLFVVXDW-UHFFFAOYSA-N	544.095	2.964	0	40	KFAB	
COc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C(=O)N1CCCCC1	224381100	IVQFHZCYWPOBDK-UHFFFAOYSA-N	565.714	2.853	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	408701346	WMIHWYNGXMYPQM-UHFFFAOYSA-N	507.634	2.907	0	40	KFAB	
CCOc1c(OC)cccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(C(=O)O)cc3)c(=O)n21	409010243	BSWOFUKIMSOZRM-JDCXBEBJSA-N	552.605	2.530	0	40	KFAB	
O=C(O)CN1C(=O)S/C(=C/c2cc(I)cc(I)c2O)C1=O	409123153	FEYQIWSYZXGQBT-KRXBUXKQSA-N	531.065	2.722	0	40	KFAB	
O=C(c1ccccc1F)N1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)CC1	12637444	QJQQGXFIZKTDRT-UHFFFAOYSA-N	509.625	2.537	0	40	KFAB	
O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)NCCN1C(=O)S/C(=C\c2ccc(OC(F)F)cc2)C1=O	14128632	SRORXRVNQMEULH-KHFMLZDKSA-N	519.526	2.782	0	40	KFAB	
COC(=O)c1ccccc1NC(=S)N(CCN1CCOCC1)Cc1cc2cc(OC)ccc2[nH]c1=O	19825669	GEENGSANFSZXHW-UHFFFAOYSA-N	510.616	2.855	0	40	KFAB	
C/C(=C/C(=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	43769725	MINDHVHHQZYEEK-NGCJFDKTSA-N	500.629	2.593	0	40	KFAB	
O=C(COC(=O)Cc1ccc(Br)cc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1	103098823	MSSSBBOAVAFPGZ-UHFFFAOYSA-N	566.474	2.795	0	40	KFAB	
O=C(CN(CCN(CC(=O)NCc1ccccc1)CC(=O)NCc1ccccc1)CC(=O)NCc1ccccc1)NCc1ccccc1	150383676	HVHHGTWESHIQBU-UHFFFAOYSA-N	648.808	2.856	0	40	KFAB	
COC(=O)CSc1nnc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccc(OC)cc3)c3ccc(C)cc3O2)s1	222701271	FBTRRUHZXUVVBJ-SFHVURJKSA-N	550.640	2.715	0	40	KFAB	
CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223008575	KJWRCLVLYHHISB-JOCHJYFZSA-N	517.648	2.866	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)cc1	223071601	YRUDVLIITNHDDK-SFHVURJKSA-N	535.663	2.810	0	40	KFAB	
CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	224367974	MGXWJRQKRYRMFZ-HXUWFJFHSA-N	509.600	2.552	0	40	KFAB	
CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	225263977	DSTKVDPDYOYSFQ-NRFANRHFSA-N	523.627	2.943	0	40	KFAB	
Cn1cc(-c2ccc3c(c2)OCC[C@@H]2CC[C@H](O)[C@@H](CNC(=O)[C@@H]4CN(Cc5cccc(Cl)c5)CCN4C3=O)O2)cn1	253397946	GHDHPLUTWWUFOY-KEQINOFFSA-N	594.112	2.874	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1ccc(OC)cc1)[C@H](C)C(=O)NC(C)C)c1ccc2c(c1)OCO2	260740483	MMNKBJINTRMVRG-GOSISDBHSA-N	519.620	2.522	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	260926702	VDSGCUVRFLXZGY-OALUTQOASA-N	503.621	2.903	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C)c4ccccc43)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1	409111849	CPVNYFUCRZAYKU-SADKCHQCSA-N	568.449	2.916	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCCC4)cc3)c(=O)n2[C@H]1c1cccs1	409150305	BHRZKPISPNAZRW-VOZFUJEASA-N	537.663	2.861	0	40	KFAB	
COCC(=O)N1CCN(Cc2cccc(OCCCN3CCCCCC3=O)c2)C[C@@](O)(COc2ccccc2)C1	585270314	BKPLNCRKWQTZOF-HKBQPEDESA-N	553.700	2.959	0	40	KFAB	
COCC(=O)N1CCN(Cc2cccc(OCCCn3ccnc3)c2)C[C@@](O)(COc2ccc(F)c(F)c2)C1	585273908	GBRDGUGOLBXXEH-NDEPHWFRSA-N	544.599	2.731	0	40	KFAB	
COc1cc([C@@H](CC(=O)N[C@H](C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)C(C)C)c2oc(C)cc(=O)c2O)ccc1O	604404673	QLVHQRSHDFEVLV-RSOYGWLHSA-N	591.661	2.838	0	40	KFAB	biogenic
Cc1ccc(OCCNC(=O)[C@@H]2CC(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N[C@H](Cc3ccccc3)COc3ccccc3C(=O)N2)c(C)c1	643574645	GTBUTLQKHKCXMF-LMERMFHRSA-N	683.806	2.556	0	40	KFAB	
Cc1ccc(OCCNC(=O)[C@@H]2CCC(=O)N[C@H](Cc3ccccc3)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1	643580941	ZISAOXOQYVPTNT-WUFINQPMSA-N	586.689	2.647	0	40	KFAB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NCc1ccc(S(=O)(=O)N2CCCC2)cc1	20030592	BPXCXGZEIVOHOM-UHFFFAOYSA-N	527.668	2.978	0	40	KFAB	
Cc1ccc(C)c(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)S(C)(=O)=O)c1	22514062	LFANVQAUTOWCCR-UHFFFAOYSA-N	503.606	2.607	0	40	KFAB	
Cc1cccc(-n2c(SCCS(C)(=O)=O)nnc2[C@H]2CN(CCS(C)(=O)=O)c3ccccc32)c1	65551752	YKRKPLTZLGQBFL-FQEVSTJZSA-N	520.702	2.709	0	40	KFAB	
COc1ccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c(OC)c1	100472104	FFJHZUPNZXQYDB-AREMUKBSSA-N	539.654	2.874	0	40	KFAB	
O=c1nc(O)n(CCc2ccc(F)cc2)c(O)c1[C@H](c1ccncc1)c1c(O)[nH]c(=O)n(CCc2ccc(F)cc2)c1=O	102543135	FLNONIKEZUGFFJ-JOCHJYFZSA-N	589.555	2.549	0	40	KFAB	
O=S1(=O)NC[C@H](O)CN(Cc2cc3ccccc3o2)C[C@@]2(COc3cc(-c4cccnc4)ccc31)C[C@H](O)[C@H](O)C2	108318132	KXHNNFCPRDAACZ-MUBBJGIJSA-N	579.675	2.531	0	40	KFAB	
C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	223743751	GQENKSPCKAFWRN-LJQANCHMSA-N	504.628	2.915	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	223859656	PUFRWSPBJJYPHH-QGZVFWFLSA-N	509.600	2.552	0	40	KFAB	
COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1	224535482	OHNHIFSDYHHEIK-UHFFFAOYSA-N	518.455	2.503	0	40	KFAB	
CCOC(=O)[C@H]1[C@H](c2ccccc2Cl)[C@@H](C(=O)OCC)[C@@](O)(C(F)(F)F)N[C@]1(O)C(F)(F)F	248341444	YZHONTVWWQWASA-RAZVHJQOSA-N	507.811	2.887	0	40	KFAB	
Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1C(=O)N(CCc1ccccc1F)CC(=O)O	257300035	RSPYTKWNUJWCFB-UHFFFAOYSA-N	501.559	2.751	0	40	KFAB	
CCOc1ccccc1N(CC(=O)N(Cc1cccc(Br)c1)[C@H](C)C(=O)NC)S(C)(=O)=O	260755780	KMRLKZFPHBOUML-MRXNPFEDSA-N	526.453	2.777	0	40	KFAB	
CCOC(=O)c1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1	408690449	VJPYQMYUCWSCJU-MIXHGWOXSA-N	518.566	2.987	0	40	KFAB	
CC(=O)N1CCN(CC2(O)CCN(c3cccc(F)c3)CC2)C[C@@](O)(COc2ccc(F)c(C)c2)C1	585282013	FNTBMDJXPFCSHR-MHZLTWQESA-N	503.590	2.579	0	40	KFAB	
CC(C)[C@@H]1NC(=O)C[C@@H](C(=O)NCc2ccc(CN3CCCC3)cc2)NC(=O)c2ccccc2OC[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O	643574747	NQGTVSWQXGKDGL-IGNXLULLSA-N	710.876	2.806	0	40	KFAB	
Cc1ccc(OCCNC(=O)[C@@H]2CCC(=O)N[C@H](CC(C)C)C(=O)N(C)CCOc3ccccc3C(=O)N2)c(C)c1	643579972	HSDIJEGQAWRFCF-LOSJGSFVSA-N	566.699	2.759	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	622867	JILDPVKNOZHPEN-RWTNITNYSA-N	522.579	2.741	0	40	KFAB	
COc1cc([C@@H](C(=O)NCCC(C)C)N(Cc2ccco2)C(=O)c2snc(C(N)=O)c2N)ccc1O	6134410	MOJFNGCLVQBVSB-FQEVSTJZSA-N	515.592	2.677	0	40	KFAB	
CCN(CC)C(=O)Cn1c(=O)n(-c2ccc(OC)cc2OC)c(=O)c2c(C)c(C(=O)N(CC)CC)sc21	8673576	CEHCARWOAQVSSO-UHFFFAOYSA-N	530.647	2.890	0	40	KFAB	
COc1ccccc1C[C@H](NC(C)=O)C(=O)NC1CCN(S(=O)(=O)c2cccc3ccccc23)CC1	13565682	WQQJYCOHWSKXQD-DEOSSOPVSA-N	509.628	2.865	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C	20031517	UEYQTCFYFCVMQU-LJQANCHMSA-N	523.677	2.552	0	40	KFAB	
COc1ccccc1CN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)Cc1nnnn1C[C@H]1CCCO1	20109370	HHQLQILNMDZGMI-OAQYLSRUSA-N	518.574	2.676	0	40	KFAB	
COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1N1CCCC1=O	44904979	ABMWJMGUKNMXRK-UHFFFAOYSA-N	502.574	2.819	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)ccc1OC	103034230	GHNWUMQBYWYAQU-UHFFFAOYSA-N	565.604	2.773	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)cc1	224215121	PMWFAZFFIYCAPZ-UHFFFAOYSA-N	643.525	2.932	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	225112870	QCNWHZBHXBWVMM-RTBURBONSA-N	503.621	2.822	0	40	KFAB	
CC(C)(C)CC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(C4CCC4)C[C@H]3C(=O)NC[C@H]1O2	253404409	RAHGMGWCBJXGPR-GEMTWJNPSA-N	540.705	2.733	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	261033006	XNIJLPWUNNDSRD-IRXDYDNUSA-N	507.584	2.652	0	40	KFAB	
COC(=O)CN1C(=O)N/C(=C/c2cc(I)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)C1=O	408548031	CCUBBFZZZOCATH-LZYBPNLTSA-N	566.304	2.643	0	40	KFAB	
CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(S(N)(=O)=O)cc3)c(C)c2)cc1	408674655	DRIULZGMLQOOLZ-UHFFFAOYSA-N	519.601	2.859	0	40	KFAB	
Cc1cccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3cccc(C(=O)N4CCOCC4)c3)n2C)c1	409342765	GRTCZLFZCDAMHC-SFHVURJKSA-N	522.631	2.818	0	40	KFAB	
COc1ncccc1C(=O)N1CCCCC2(CCN(Cc3ccccc3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1	643577903	HZCDXQYMSGMKDY-LOSJGSFVSA-N	525.646	2.654	0	40	KFAB	
O=C1NC2(CCOc3cc(-c4cccnc4)ccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(C(=O)Nc1ccccc1)CC2	1548889595	HOEWIOOXTJYZIR-RPBOFIJWSA-N	591.690	2.838	0	40	KFAB	
Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccccc2)cc1	656157	PWIKBLUZOKZBRX-UHFFFAOYSA-N	529.640	2.850	0	40	KFAB	
CCOc1ccc([C@@H](C(=O)NCCC(C)C)N(CCCO)C(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1	6601379	VCGRIRJGQLBYAP-VWLOTQADSA-N	526.613	2.993	0	40	KFAB	
COc1ccc(S(=O)(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3CN2CCN(c3ccc(F)cc3)CC2)cc1	8635647	NQPKDALYZLXAAW-AWRGLXIESA-N	502.656	2.645	0	40	KFAB	biogenic,in-vitro
CC(C)CNS(=O)(=O)c1ccc(CCC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1	20032918	JZKCRQGIXWLVBR-UHFFFAOYSA-N	507.678	2.654	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3OC)c(=O)n2[C@H]1c1ccc(OC)cc1OC	59418409	NSUMFZQFVHDTOW-IZBTWGKQSA-N	524.595	2.833	0	40	KFAB	
Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)sc2cc(S(C)(=O)=O)ccc21	100859767	VVFMHYNOEKJXDF-FCQUAONHSA-N	507.659	2.949	0	40	KFAB	
Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)N1C[C@@H](C(=O)NCCc2ccccc2)Oc2ccccc21	222794603	YMQHRNKOJIQCSN-NDEPHWFRSA-N	579.675	2.548	0	40	KFAB	
COc1cccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(=O)(=O)c2ccccc2)c1	224282466	WELZPTYGKCERGK-UHFFFAOYSA-N	573.693	2.870	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	225368476	CIQXDAGETZDTCK-VQTJNVASSA-N	547.674	2.955	0	40	KFAB	
CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O	225400648	MCPLXFVYVUGNIU-QHCPKHFHSA-N	505.637	2.803	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	260890498	LAVQBLNQNIQFNY-UXHICEINSA-N	517.648	2.946	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)n(C)c(=O)n4C)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br	408861294	PVQURGHNFDBXTO-SPVXFMEISA-N	627.517	2.768	0	40	KFAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(CC)c4ccccc43)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	409159962	DAEMPMXETWVQMY-ZCCPQQFYSA-N	560.676	2.858	0	40	KFAB	
COc1ccc(CN2CCC3(CCOc4cc(C(C)C)ccc4S(=O)(=O)N4C[C@H](O)C[C@H]4C(=O)N3)CC2)cc1	1548890179	MSHNBOHNIBSWGC-NOZRDPDXSA-N	557.713	2.876	0	40	KFAB	
O=C(CN(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)Nc1ccccc1	1333354	DEFJIKBALZOZCK-UHFFFAOYSA-N	543.623	2.686	0	40	KFAB	
CCOC(=O)C1CCN([C@@H](c2cc3cc4c(cc3[nH]c2=O)OCO4)c2nnnn2Cc2ccc(OC)cc2)CC1	6194684	GWWQCRWLLNTFHY-VWLOTQADSA-N	546.584	2.665	0	40	KFAB	
CN(C)c1ccc(NC(=O)[C@H](c2csnn2)N(C(=O)CN2C(=O)c3ccccc3C2=O)C2CC2)cc1	8695987	JDJDELSAOPFEEW-QFIPXVFZSA-N	504.572	2.571	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O	12883329	SFLWNMSGJKBINM-VWLOTQADSA-N	514.604	2.666	0	40	KFAB	
COc1ccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1	13565655	GGFUWLUGYHTZTN-JOCHJYFZSA-N	527.565	2.731	0	40	KFAB	
S=C1N(CN2CCOCC2)[C@@H](c2ccccc2)N2C(=S)N(CN3CCOCC3)[C@H](c3ccccc3)N12	15022650	MOOFEOPIZZORPP-PSWAGMNNSA-N	524.716	2.683	0	40	KFAB	
COc1ccc([C@H]2CN3C(=O)CN(CCCN4CCOCC4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1	20610704	CUFWRUHWAVLWIX-BTYSJIOQSA-N	502.615	2.930	0	40	KFAB	biogenic
CCCOc1ccc(Cc2nn3c(=O)/c(=C\c4ccc(OC(C)=O)c(OCC)c4)sc3nc2=O)cc1	26779386	QULIWYUTTWLILZ-HZHRSRAPSA-N	507.568	2.763	0	40	KFAB	
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)cc2)CC1	59522849	PXBSREJTFTVGAT-UHFFFAOYSA-N	602.695	2.609	0	40	KFAB	
O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1	59838557	TXPGZXSKBZCJMW-IBGZPJMESA-N	570.531	2.951	0	40	KFAB	
COc1ccc(OS(=O)(=O)O)cc1OCCNC[C@@H](O)COc1cccc2[nH]c3ccccc3c12	65742972	YOIFXDJMLPGVMJ-MRXNPFEDSA-N	502.545	2.920	0	40	KFAB	in-vitro
CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O	70706944	LDWWVEAXQMIFLL-FLXBVFITSA-N	570.646	2.817	0	40	KFAB	biogenic
COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4C[C@H]([C@H]5C(=O)N(CCCC(=O)O)C(=O)[C@H]45)[C@@H]32)cc1	100922225	PVTXWLUCAKHKQB-XDTKVKNJSA-N	500.598	2.783	0	40	KFAB	
O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(c2cccc(Cl)c2)CC1)Nc1cccc(C(F)(F)F)c1	102253642	IRCPHTKOMVQJQB-OAQYLSRUSA-N	537.970	2.837	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc2c(c1)OCCO2	112256357	UGCKWYHYKMHRFS-UHFFFAOYSA-N	538.629	2.510	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1	222637255	RAKMKJTYHDCSCP-UHFFFAOYSA-N	531.656	2.784	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	223172106	KWJUMAQHVQZHLN-JKSUJKDBSA-N	536.448	2.926	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1	224384447	KYGZQJSTMDQLEQ-UHFFFAOYSA-N	565.714	2.853	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	224717865	XZBQGEQJPGZTCS-LJQANCHMSA-N	505.637	2.722	0	40	KFAB	
O=C(COc1ccc(N2C[C@H](C(=O)NCCN3CCOCC3)CC2=O)cc1)Nc1cc(Cl)cc(Cl)c1	408582600	XFTPHMPRFUOIJL-QGZVFWFLSA-N	535.428	2.812	0	40	KFAB	
COc1ccc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3ccc(Br)c(Cl)c3)CC2=O)cc1OC	408656180	MSCTWIOCDHAIAZ-CYBMUJFWSA-N	554.781	2.795	0	40	KFAB	
CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C/c3cc(OC)c(OC(C)=O)c(OC)c3)c2=O)=N1	409050222	SOSVQXOCKTUQPT-YJADQXIJSA-N	522.579	2.741	0	40	KFAB	
Cc1ccccc1C(=O)N1CCCCC2(CCN(Cc3ccncc3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1	643577974	KAWQRBIXQFTWRE-IZZNHLLZSA-N	509.647	2.954	0	40	KFAB	
CCOC(=O)[C@@](NC(=O)CC)(Nc1cc([C@@](O)(C(=O)OCC)C(F)(F)F)ccc1OC)C(F)(F)F	8934156	MWMVTQIFILMRRN-MSOLQXFVSA-N	518.407	2.768	0	40	KFAB	
CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2ccc(F)cc2Cl)CC1	12521661	BZRPFNGUBZXBEP-UHFFFAOYSA-N	511.019	2.894	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O	30752712	WWIUDBUHPKFKPM-UHFFFAOYSA-N	516.041	2.846	0	40	KFAB	
CCN(CC(=O)Nc1cc(OC)c(OC)cc1C(=O)OC)S(=O)(=O)c1ccc(Br)cc1	39986017	OAWRAJINXZVABI-UHFFFAOYSA-N	515.382	2.902	0	40	KFAB	
CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O	70699793	JSIMSAQSHUSDLG-VXKWHMMOSA-N	538.601	2.738	0	40	KFAB	biogenic
COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@@H](CO)C(=O)O)C(=O)N32)cc1	70707580	AUSPJMNZPFGWPO-LLZJGCNPSA-N	554.559	2.835	0	40	KFAB	biogenic
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)O)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	100262606	BMTURKGMUDTJQK-RTOMEVGKSA-N	552.605	2.669	0	40	KFAB	
CCOC(=O)CN(C(=O)C[S@](=O)CC(=O)Nc1ccc(C)cc1)[C@@H](CC(C)C)C(=O)NCc1ccc(F)cc1	100331219	VLDVVMBURQXASA-NSFIAJOSSA-N	561.676	2.944	0	40	KFAB	
COc1ccc(OC)c(C[C@@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c1	100468863	NWCDHFMBCHJRIQ-JOCHJYFZSA-N	557.591	2.739	0	40	KFAB	
CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccccc2)[C@H](C(=O)NCCO)c2ccccc2)cc1	223306729	ZOONUPOIPPJJNW-MHZLTWQESA-N	523.655	2.796	0	40	KFAB	
CNC(=O)[C@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	223505958	ZIHYUGFGNWARRT-NDEPHWFRSA-N	567.664	2.611	0	40	KFAB	
COc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1OC	225503085	DERKACLTSIWXTH-IBGZPJMESA-N	505.637	2.720	0	40	KFAB	
CCCCNS(=O)(=O)c1ccc(OCC(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)c(Cl)c1	226081218	VXJXGGGAPJRUQR-UHFFFAOYSA-N	558.122	2.941	0	40	KFAB	
CCCC1=C(C(=O)OCC)[C@H](c2cccs2)n2c(s/c(=C/c3ccc4c(c3)n(C)c(=O)n4C)c2=O)=N1	408863518	NCQDITIPYQEIEI-FGGAIWKESA-N	522.652	2.830	0	40	KFAB	
CC(C)[C@H]1NC(=O)C[C@@H](C(=O)NCCOCc2ccccc2Cl)NC(=O)c2ccccc2OC[C@@H]2CCCN2C1=O	643578598	ZTEOCZGAXMFPRI-RCSBWOJUSA-N	585.101	2.686	0	40	KFAB	
CC(C)c1nnc(NC(=O)CN2CCC[C@@]3(CC=CCOc4ccccc4C(=O)NCCNC3=O)C2)s1	2037879935	YAMVAYSMBUYSJR-SANMLTNESA-N	526.663	2.567	0	40	KFAB	
COc1ccccc1CNC(=O)C[C@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3cc(C)n[nH]3)N2C1=O	2968508	PPGDUYKPWDYAIU-LJQANCHMSA-N	531.598	2.764	0	40	KFAB	
O=c1nc([C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)[nH]c2c1nnn2Cc1cccc(Cl)c1	6161835	ZRNIKLXITZRSGY-INIZCTEOSA-N	543.005	2.556	0	40	KFAB	
CCCCC[C@@H](NC(=O)C1CCN(C(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)CC1)C(=O)O	8918433	YXBGUENLKYUKCB-YADHBBJMSA-N	509.669	2.686	0	40	KFAB	biogenic
COc1ccc(CNC(=O)CCn2c(=O)c3sccc3n(Cc3cc(C=O)ccc3OC)c2=O)cc1	9971084	YWOJDDCPJXNWAD-UHFFFAOYSA-N	507.568	2.809	0	40	KFAB	
O=C(COC(=O)COc1ccc(Cl)cc1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	14359610	BEYZQZMBVUMHPP-UHFFFAOYSA-N	503.360	2.575	0	40	KFAB	
CC(C)(C)n1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(Cc2ccccc2)CC1	19371901	WLTGNCWNAMIYLU-XMMPIXPASA-N	501.591	2.906	0	40	KFAB	
COc1cc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C)cc3C)c(=O)[nH]2)cc(OC)c1OC	45987622	XXIRLLIKXLKPEQ-UHFFFAOYSA-N	519.601	2.976	0	40	KFAB	
COc1ccc(C[C@]2(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)C(=O)NC(=O)N(c3ccccc3)C2=O)c(OC)c1	70669809	VTWNVXCBJKJFPN-AFTQUYEPSA-N	556.619	2.797	0	40	KFAB	biogenic
COc1ccc(CCN[C@H]2CC(=O)N(c3ccc(N4C(=O)C[C@H](NCCc5ccc(OC)cc5)C4=O)cc3)C2=O)cc1	98044506	FVYSVRUQFYEDBP-NSOVKSMOSA-N	570.646	2.632	0	40	KFAB	
COc1ccc(CCN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@H]2CCCO2)c2cccnc2)cc1OC	100337253	RNDMYLUYBGGLHF-RNWIMVQKSA-N	558.639	2.951	0	40	KFAB	
O=C(COC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	100564581	FEMXJJBZLPNQOP-TWVWUCKLSA-N	541.464	2.923	0	40	KFAB	
CCOC(=O)C1=C(COC(=O)c2ccccc2NS(=O)(=O)c2ccc(Br)s2)NC(=O)N[C@H]1C	103101849	QKAOWXWIYQZPFU-NSHDSACASA-N	558.432	2.987	0	40	KFAB	
Cc1c(Cl)ccc2c(/C=C3/NC(=O)N([C@H](C(=O)NC(CO)CO)c4ccc(F)c(F)c4)C3=O)c[nH]c12	202237520	ZFYQBPVMECJUBO-XDGZFBAOSA-N	518.904	2.511	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1	222654555	WUHUFXXYWNYKCC-UHFFFAOYSA-N	517.629	2.741	0	40	KFAB	
COc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c(OC)c1	222877772	PBKPBGHPLCRBPU-KRWDZBQOSA-N	523.627	2.941	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223589156	AZWWOWKSWGPECM-FQEVSTJZSA-N	517.648	2.866	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	223713097	IXWNGTXWMSUIQI-INIZCTEOSA-N	510.012	2.778	0	40	KFAB	
C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C	223886780	PMAVLXFEUQUYBP-LJQANCHMSA-N	504.628	2.915	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1	224227205	FDSOBDOPGUGCFG-UHFFFAOYSA-N	523.677	2.619	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc(S(=O)(=O)N2CCCCCC2)c1	224330886	QDGHOZSWBICNKV-UHFFFAOYSA-N	535.688	2.845	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@@H](Oc2cc(OC(C)=O)c3c(=O)cc(-c4ccc(OC(C)=O)c(OC(C)=O)c4)oc3c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	254705508	JDAPIOVVXOAJOM-ODCXBZGMSA-N	742.639	2.698	0	40	KFAB	
C[C@@H](Oc1ccc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1)C(=O)N1CCOCC1	408611969	XPRYQVCGSGJPIG-GOSISDBHSA-N	527.565	2.842	0	40	KFAB	
CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(I)c(OCC(=O)OC)c(OC)c2)C1=O	409020548	QJZCVGHMHIWHOC-WWNSAXIVSA-N	549.339	2.840	0	40	KFAB	
CC(=O)Oc1ccc(C(=O)COC(=O)CN2C(=O)c3ccc(C(=O)OCC(=O)c4ccc(OC(C)=O)cc4)cc3C2=O)cc1	409182168	ISXYNOBWWZCZIU-UHFFFAOYSA-N	601.520	2.599	0	40	KFAB	
O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4cc(-c5ccncc5)ccc41)CC[C@@H]3O)N(Cc1cccs1)C2	514287479	FNJPRRQGUCYSNW-OHYCJCQKSA-N	562.692	2.990	0	40	KFAB	
CC(C)C[C@@H]1COc2ccc(Cl)cc2C(=O)NCCCCN(C(=O)c2cnc(N(C)C)nc2)CC(=O)N1	643556771	QDJNVMALWNWHLC-HXUWFJFHSA-N	531.057	2.772	0	40	KFAB	
COc1ccc(Cn2c(SCC(=O)NC[C@H]3CCCO3)nc3ccc(N4CCOCC4)cc3c2=O)cc1	9473669	LBHQFRXURGKUCZ-JOCHJYFZSA-N	524.643	2.677	0	40	KFAB	
COc1ccc(Cn2nnnc2CN(CCCN2CCOCC2)Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1	12833141	DPVKGJFIAMJBGQ-UHFFFAOYSA-N	531.661	2.913	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC	16732792	BIFPIFLIZPBHNY-XPCGLTFESA-N	522.579	2.741	0	40	KFAB	
CCN1CCN(CCCNC(=O)c2ccc(Cn3c(=S)[nH]c4cc5c(cc4c3=O)OCO5)cc2)CC1	20644469	HCWFAJNQNQKURK-UHFFFAOYSA-N	509.632	2.593	0	40	KFAB	
CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)CN2C(=O)N[C@H](CCc3ccccc3)C2=O)c1	25424700	KTZGRUOSIMCXKN-LJQANCHMSA-N	507.012	2.862	0	40	KFAB	
O[C@H](COc1ccc(OC[C@@H](O)CN2CCN(Cc3ccccc3)CC2)cc1)CN1CCN(Cc2ccccc2)CC1	64693597	SUSCYIMTNZLQLZ-ACHIHNKUSA-N	574.766	2.802	0	40	KFAB	
Cc1cc2cc3c(cc2n2c(SCC(=O)Nc4ccc(S(=O)(=O)N5CCOCC5)cc4)nnc12)OCCO3	100329235	KLYAZZKKCYPJQO-UHFFFAOYSA-N	555.638	2.714	0	40	KFAB	
CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)cc2)C(C(=O)OC)=C(C)N=3)ccc1OC(C)=O	100565127	WPSUWQJBFUPTES-ZDGAQAAHSA-N	550.589	2.658	0	40	KFAB	
C[C@H]([C@H]1C[C@@H]2CC[C@@H]1C2)n1c(COc2ccccc2F)nnc1SCC(=O)c1c(N)n(C)c(=O)n(C)c1=O	103141825	DDXGBFDTSWBNOB-QBPKDAKJSA-N	542.637	2.948	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O	222602143	GVUPVRCCJIJPJV-AWEZNQCLSA-N	500.390	2.518	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	222965010	NEYRHOIQWPPWEE-IBGZPJMESA-N	505.637	2.803	0	40	KFAB	
CC[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O	224316505	UDHCLQPSYGGWQD-JOCHJYFZSA-N	544.095	2.864	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225407538	XLUNLLLGSYLSME-QGZVFWFLSA-N	524.039	2.821	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1Br)S(C)(=O)=O	225424258	YEGBKMNOJOQKRT-CQSZACIVSA-N	500.390	2.518	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1cccc(C)c1)[C@@H](C)C(=O)NC(C)C)c1ccc2c(c1)OCCO2	225508638	AUFDAGXNKYVWHM-FQEVSTJZSA-N	517.648	2.864	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)NC(C)C)c1ccc2c(c1)OCO2	225692365	KNXSGAZOZDYOSJ-IBGZPJMESA-N	503.621	2.556	0	40	KFAB	
C[C@]1(O)CCN(CC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)C[C@@H]1Oc1cccc(F)c1	257298508	RLZRJTIJMBINAC-ZCYQVOJMSA-N	505.612	2.843	0	40	KFAB	
Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(N2C[C@@H](C(=O)NC[C@H](C)O)CC2=O)cc1	408574210	CVADPVYJRRWXGC-IRXDYDNUSA-N	518.408	2.933	0	40	KFAB	
CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1OC	408940502	UUMKGCIBJHGWJT-IYVASWNSSA-N	596.658	2.766	0	40	KFAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)N4CCOCC4)cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1	409153485	LVDJITKFENOYTQ-ZYSRDMNZSA-N	609.148	2.995	0	40	KFAB	
CCCN1C(=O)N/C(=C/c2cc(I)c(OCC(=O)O)c(I)c2)C1=O	409235404	PIIVBDLDWLIRDR-IZZDOVSWSA-N	556.094	2.662	0	40	KFAB	
O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	409389338	OPAMGYVIVXHQTD-LJQANCHMSA-N	550.475	2.923	0	40	KFAB	
C[C@@H]1NC(=O)C2(CCCCOCCCNC1=O)CCN(C(=O)C1(c3cccc(F)c3)CCOCC1)CC2	643564169	QUXSMWAESZNLDP-NRFANRHFSA-N	517.642	2.694	0	40	KFAB	
COc1cccc([C@@H]2[C@@H](C(C)C)CN(C(C)=O)C[C@H](OC)[C@@H](O)[C@@H](O)COCCCCN2C(=O)CN2CC[C@@H]3[C@H]2CCCCN3C)c1	643585121	QHUOPOJXVYDFHT-CRWNMVLDSA-N	660.897	2.791	0	40	KFAB	
CCOC(=O)CNC(=O)[C@@H](c1ccc(OCC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1C	6601637	HOAYLPMYZXQKND-JOCHJYFZSA-N	539.614	2.599	0	40	KFAB	
COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCC(C)CC3)c2)c1	14400494	ZNJDDFMYNBKDMM-UHFFFAOYSA-N	504.561	2.941	0	40	KFAB	
CCCCn1c(N)c(N(CC(C)C)C(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c(=O)[nH]c1=O	15323907	PKHRGAHQXWZQPF-UHFFFAOYSA-N	519.668	2.705	0	40	KFAB	
C/C(=C\C(=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	19685775	MINDHVHHQZYEEK-ZHCFFRKPSA-N	500.629	2.593	0	40	KFAB	in-vitro
COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(Cc2cccs2)C(=O)c2snc(C(N)=O)c2N)cc1OC	38145148	JWSABGHLQULOKB-BTYIYWSLSA-N	559.670	2.582	0	40	KFAB	
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)N(C)C1=O	84705999	KZGZTOMXQSOTKE-SJSXQSQASA-N	534.701	2.811	0	40	KFAB	biogenic
C[C@H]1N[C@]2(C(=O)N(CC(=O)N3CCc4ccccc43)c3ccccc32)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12	100166572	MFHRRANWHRMBCO-JJROJLJVSA-N	520.589	2.611	0	40	KFAB	
COc1cccc(CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C(=O)NC[C@H]2CCCO2)c2cccs2)c1	100378041	DTBYDXBQXRIHNJ-QFQXNSOFSA-N	583.688	2.967	0	40	KFAB	
COc1ccccc1[C@@H]1c2sc(=O)[nH]c2S[C@@H]2[C@@H]3C[C@H]([C@H]4C(=O)N(CCCC(=O)O)C(=O)[C@H]34)[C@H]12	101175512	XVVGVKNGWMLMJP-CRMVRTPASA-N	500.598	2.783	0	40	KFAB	
COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)N(C(=O)c2ccc(OC)cc2)CC3)cc1	222743471	VPLDINFLGJANES-UHFFFAOYSA-N	539.610	2.840	0	40	KFAB	
Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)NCCNc1ccnc2cc(Cl)ccc12	222795809	OLPHRULGOUEUBD-UHFFFAOYSA-N	519.023	2.825	0	40	KFAB	
NS(=O)(=O)c1ccc(NC(=O)[C@@H]2Sc3[nH]c(=O)sc3[C@H]3c4cc(Br)ccc4OC(=O)[C@H]23)cc1	245241508	GVXFLXRNUUZJOC-SOUVJXGZSA-N	568.452	2.626	0	40	KFAB	
COC(=O)CN1C(=O)N/C(=C/c2cc(Br)c(OCc3cccc(C(=O)O)c3)c(OC)c2)C1=O	408548299	FXHURCLLCBAZFV-LZYBPNLTSA-N	519.304	2.801	0	40	KFAB	
COCCCNC(=O)C(=O)Nn1c(C(=O)Nc2ccc(OC)cc2)cc2cc(Br)ccc21	408583366	ZMQIPZKUSRKNIJ-UHFFFAOYSA-N	503.353	2.888	0	40	KFAB	
COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1OC	408593326	NHLSPUXCDWFJCM-HNNXBMFYSA-N	501.527	2.738	0	40	KFAB	
C[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCC(C)(C)c2ccc(F)cc2)CC(=O)N[C@@H](COC(C)(C)C)C(=O)N1	643571537	CVPIABQQRKGJGV-YGOYIFOWSA-N	584.689	2.605	0	40	KFAB	
C[C@H](O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)Nc1ccc(SC(F)F)cc1	3314755	DHLUEOUWTDOUAN-APPDUMDISA-N	508.952	2.864	0	40	KFAB	
COC(=O)c1ccccc1NC(=O)O[C@@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4ccc5c(c4)OCO5)n3)CO[C@H]12	5433640	BBMVZYCPTLMQGA-JBJBFBLISA-N	520.498	2.854	0	40	KFAB	biogenic,in-vitro
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCCO4)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	8438729	WWYWAARTNAIOQO-PNZYDNNZSA-N	536.606	2.977	0	40	KFAB	
Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(O)cc2)c(C)c1	12473977	PFEYKUIBCNWITE-AVRDEDQJSA-N	523.615	2.830	0	40	KFAB	
CC(C)(C)NC(=O)[C@@H](c1cccs1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCO2	13023396	GITCHLMHNCFKIP-QGZVFWFLSA-N	501.590	2.917	0	40	KFAB	
CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2c1	22866360	DPPYJXCKBLBXPH-QDPGVEIFSA-N	573.654	2.728	0	40	KFAB	
NS(=O)(=O)c1ccc(NC(=S)N[C@@H](NC(=O)COc2ccccc2)C(Cl)(Cl)Cl)cc1	27023962	ZTOQTWPHNALUOE-OAHLLOKOSA-N	511.840	2.512	0	40	KFAB	
CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1	72135870	WRVONLQYVPRAFK-UHFFFAOYSA-N	543.564	2.553	0	40	KFAB	
Cc1ccc2c(c1)N(C(=O)Cn1c(=O)n(CC(=O)NC3CCCC3)c(=O)c3oc4ccccc4c31)CCO2	72332056	ASWZNALTNHATNB-UHFFFAOYSA-N	516.554	2.702	0	40	KFAB	
COC(=O)[C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1c(C)cc(OCCCC(=O)NCCNC(=O)OCc2ccccc2)cc1C	150364212	NIOJNRVBAOUYHE-VWLOTQADSA-N	664.778	2.850	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	222980355	CYLIHJFYIVRINJ-SFHVURJKSA-N	521.611	2.697	0	40	KFAB	
CCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	225383553	AVRPPOKYBGFYHH-QFIPXVFZSA-N	522.643	2.781	0	40	KFAB	
COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-n3cnnc3)c2C)ccc1NS(C)(=O)=O	225419485	CGOHTCDVJNAADQ-PKTZIBPZSA-N	538.659	2.960	0	40	KFAB	
O=C(NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1	226088600	VUVNNUKTSMQQID-FQEVSTJZSA-N	540.107	2.884	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@H](NC(=S)Oc2cccc(Oc3ccccc3)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	254624338	NSLNXOJKPCPSDD-IYMLOVEFSA-N	575.592	2.815	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCC2)cc1	260792698	MKBMECDDPMVTHI-LJQANCHMSA-N	517.648	2.946	0	40	KFAB	
CCc1cc(Br)ccc1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc(OC)c(OC)c2)C1	408659453	SLEJHRSOUVZTDD-INIZCTEOSA-N	548.390	2.704	0	40	KFAB	
CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(Br)c1OCC(=O)N1CCOCC1	409399728	LCRKCIQMELICQQ-WQRHYEAKSA-N	592.399	2.558	0	40	KFAB	
CSCc1nnc2c3ccccc3c(-c3ccc(C)c(S(=O)(=O)NCCN4CCOCC4)c3)nn12	13557326	DAOLKYPEWKHJAR-UHFFFAOYSA-N	512.661	2.726	0	40	KFAB	
COC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C	79183214	UPNIGDZLQHZHSN-BYXVTNLJSA-N	670.760	2.958	0	40	KFAB	biogenic
COC(=O)[C@]1(CCSC)N[C@H](c2ccccc2F)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21	169357019	XHKULFIEMQMMNF-QTDDQOEGSA-N	500.548	2.712	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O	222508122	FZHGCSNPRSSVOC-AWEZNQCLSA-N	502.420	2.931	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	222570614	QNQYFDNYZSGHLB-HSZRJFAPSA-N	541.601	2.707	0	40	KFAB	
COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H](C)C(=O)NCCC(C)C)cc1	222935461	SHUCKTGYRJAPEE-QFIPXVFZSA-N	561.701	2.675	0	40	KFAB	
COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@@H](C(=O)NCc2ccccc2)c2ccccc2)cc1	223537743	XJFJLEXWNGOIDZ-AREMUKBSSA-N	509.628	2.973	0	40	KFAB	
CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	224936428	MMEAGPWEGRHTKG-QFIPXVFZSA-N	515.632	2.809	0	40	KFAB	
CC(C)[C@H](C(=O)O)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C[C@@H]2[C@@H]2[C@H](c3ccccc3O)c3sc(=O)[nH]c3S[C@H]12	245228708	CXHOWVXUEZYAFS-AWWSSYTHSA-N	500.598	2.725	0	40	KFAB	
COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(Br)c1OCC(=O)O	409106996	PNVRIGUVFNXRGS-LZYBPNLTSA-N	518.320	2.761	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(CC(=O)N4CCOCC4)c4ccccc34)c(=O)n2[C@H]1c1ccccc1OC	409153178	LBFLCUSRYDNROZ-MFISQUFLSA-N	600.697	2.620	0	40	KFAB	
O=C(C[C@@]1(COc2ccc(F)cc2)CN(C(=O)CCOc2cccc(F)c2)CCO1)N1CCOCC1	585284957	MILDGRSNRPUOFA-SANMLTNESA-N	504.530	2.659	0	40	KFAB	
CCCCN1CCOc2ccccc2CCCC[C@]2(CN(C(=O)CN3C(=O)c4ccccc4S3(=O)=O)CCO2)C1=O	643557747	WIQOWAMBLIERRB-PMERELPUSA-N	583.707	2.863	0	40	KFAB	
CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCOCc2ccccc2Cl)CCC(=O)N[C@@H](Cc2ccc(O)cc2)C1=O	643580524	NUHVYWUELDAKNW-NSOVKSMOSA-N	637.133	2.836	0	40	KFAB	
CC(C)C[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCc2ccc(S(=O)(=O)N(C)C)cc2)CC(=O)N[C@H](CC(C)C)C(=O)N1C	643585079	ZKZYAIQTDFKYLT-OWPQXHQJSA-N	671.861	2.581	0	40	KFAB	
CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(=O)[C@H](C)[C@H](C)c4ncccc4C(=O)OC[C@@]4(C)O[C@]1([C@@H](OC(=O)c1ccco1)[C@H]4[C@H](OC(=O)c1cccnc1)[C@@H]2OC(C)=O)[C@]3(C)O	2061000516	PMRSIAJYXABCTQ-FKGXUUONSA-N	920.874	2.609	0	40	KFAB	
CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccco3)N3CCN(C(=O)c4ccco4)CC3)cc2c1	1362079	YXKKAIAXTBYOTO-DEOSSOPVSA-N	529.557	2.695	0	40	KFAB	
CCOC(=O)C1=C(N)n2c(s/c(=C\c3ccc(OCC)cc3)c2=O)=C(C(=O)OCC)[C@H]1c1ccc(OCC)cc1	1876603	DCNXZKCPYZNVOG-RJYQMNAMSA-N	564.660	2.738	0	40	KFAB	
CCOC(=O)c1ccccc1NC(=O)CSc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2o1	3263154	QXUMQNKGGKMBDQ-UHFFFAOYSA-N	505.574	2.756	0	40	KFAB	
CSCC[C@@H](NC(=O)[C@H](CC(C)C)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O)C(=O)O	8789597	RFNXXOFJKCHHTD-WYEJZRMESA-N	500.621	2.941	0	40	KFAB	biogenic
CN(C)S(=O)(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)CC1	10367033	UQIQSDVSAILUNZ-UHFFFAOYSA-N	501.030	2.598	0	40	KFAB	
CC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](CC(=O)NCc3ccco3)C(=O)N12)C(=O)NCCCOC	20643027	RUBBAQOQMGPOHD-VQTJNVASSA-N	511.604	2.609	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OC	22518929	IFUJMIUJQHJKFI-UHFFFAOYSA-N	523.633	2.525	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(CNC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)cc1	59838241	WVNBMTJGVLASMR-HSZRJFAPSA-N	580.526	2.905	0	40	KFAB	
CCC(=O)O[C@@H]1[C@@H](N(C)C)C[C@@H](C)O[C@@H]1O[C@@H]1[C@@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[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@@]1(C)O	85867669	TYQXKHPOXXXCTP-RZFMVCBDSA-N	790.001	2.747	0	40	KFAB	
CCOC(=O)c1oc2cc(OC[C@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)ccc2c(=O)c1-c1cscn1	97983360	PVMPTMQZVPQGRW-DPOQDUSSSA-N	661.638	2.598	0	40	KFAB	
COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)NCCSc2nc(-c3ccccc3)n[nH]2)CC1	222620473	MWTUAMCJHDWAPM-UHFFFAOYSA-N	519.624	2.929	0	40	KFAB	
CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	223137074	ZQCBUIMQQGGQRJ-HXUWFJFHSA-N	524.039	2.821	0	40	KFAB	
CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	224620363	SSFXSOBMBMVHPQ-QFIPXVFZSA-N	517.648	2.600	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	225180219	SQPLLQVZYPQYIE-SFHVURJKSA-N	523.627	2.943	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	225444340	QZDIDTZUEDKXCA-LEWJYISDSA-N	531.675	2.988	0	40	KFAB	
C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1	245228136	GJBYWHIUUYCJQM-COPCDDAFSA-N	518.657	2.635	0	40	KFAB	
CCN(CC(=O)N1C[C@H](C(=O)NCCc2ccccc2)Oc2ccccc21)S(=O)(=O)c1ccc(F)cc1	260737113	JVUKIYJQQDFSFL-RUZDIDTESA-N	525.602	2.989	0	40	KFAB	
COc1ccc(OC)c(N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c1	260805025	QQMNYHMYJIPXHN-HXUWFJFHSA-N	531.675	2.988	0	40	KFAB	
COCCOCC(=O)OCCOCC(=O)Oc1cc2occ(-c3ccc(OC(C)=O)cc3)c(=O)c2cc1OC	263583636	PAEQFAGXHGIRPP-UHFFFAOYSA-N	544.509	2.522	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)O)c(OCC)c3)c(=O)n2[C@@H]1c1ccccc1	408984328	GVCRVGKQOGLFPU-OBVMJLIASA-N	522.579	2.660	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/[C@H]3C(=O)N(c4ccccc4)N=C3C)c(=O)n2[C@H]1c1ccc(OC)cc1	409018960	ZOFUFTCAQSRFRP-YCVUBQNHSA-N	530.606	2.798	0	40	KFAB	
CCN(C(=O)CSc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2)[C@H]1CCS(=O)(=O)C1	12541769	HEHAOQLVBXXFAE-IBGZPJMESA-N	514.629	2.850	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCC(=O)Nc1cccc(C)c1	12972489	CHGSFIOSMZQYJJ-UHFFFAOYSA-N	507.634	2.725	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)cc1Cl	39986570	OFNCWVLNDBZSSC-UHFFFAOYSA-N	512.968	2.961	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C	59837996	XEDYCOCRXPFNHA-UHFFFAOYSA-N	601.747	2.574	0	40	KFAB	
COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1OC	59929415	AWXAIRZZXBFSFT-DEOSSOPVSA-N	567.664	2.667	0	40	KFAB	
C[C@H]1CN([C@@H](C)C(=O)O)[C@@H](C)CN([C@@H](C)C(=O)NCCSSc2ccccn2)[C@@H](C)CN([C@@H](C)C(=O)O)[C@@H](C)CN1[C@@H](C)C(=O)O	77311496	BVEXZTXAUQXVNC-CAQMSIDYSA-N	684.926	2.522	0	40	KFAB	
Cc1cccc(N2CCN(Cc3c(O)c(=O)cc(CN4C[C@@H]5C[C@H](C4)Cn4c5cccc4=O)n3C)CC2)c1C	85875411	VRMJWPCNVNSWBB-RPWUZVMVSA-N	529.685	2.811	0	40	KFAB	biogenic
C[C@@]12[C@@H]3[C@@H]4[C@@H]5[C@H]1[C@H]1[C@@H](CC[C@H]1O[C@H]2N1C(=O)CCC1=O)[C@H]5[C@@]1(C)[C@@H](N2C(=O)CCC2=O)O[C@@H]2CC[C@H]3[C@H]2[C@@H]41	104288663	WHKWKQIREHTRPI-CVRPGYSGSA-N	520.626	2.551	0	40	KFAB	
O=C(CSc1nc2ccccc2s1)NNC(=O)[C@H](Cc1cnc[nH]1)C1C(=O)c2ccccc2C1=O	105679226	FOXHBTNXMMTBNK-MRXNPFEDSA-N	505.581	2.813	0	40	KFAB	
COc1ccc(CNC(=O)[C@H](C)N(Cc2ccc(F)cc2)C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	222855876	ZCNJGWZTDDNUIG-QFIPXVFZSA-N	599.681	2.968	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O	222863479	XZEJTVUBILTDJJ-RUZDIDTESA-N	527.618	2.986	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(CCC(=O)N2C[C@@H](C(=O)NCc3ccccc3)Oc3ccccc32)cc1	222881707	HTSPFVWODOAVLE-VWLOTQADSA-N	507.612	2.980	0	40	KFAB	
CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O	222942018	FNTHXSFOJKLMLV-IBGZPJMESA-N	543.427	2.611	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	223823742	TZUFUFHDAZSRNH-MRXNPFEDSA-N	510.012	2.778	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCc1cccc(CN2CCOCC2)c1	224728578	GBUCETABRDYJFB-UHFFFAOYSA-N	501.649	2.878	0	40	KFAB	
CCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	225372707	VDYSTIYDWNFBIR-JOCHJYFZSA-N	535.663	2.812	0	40	KFAB	
CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	225444297	SLFZWJJBTLJENV-QHCPKHFHSA-N	531.675	2.990	0	40	KFAB	
CCOC(=O)N1CCN(C(=O)COc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2Cl)CC1	408531343	MVEBUWMFDXQRGB-UHFFFAOYSA-N	507.996	2.771	0	40	KFAB	
COc1ccc(-c2cc(C(=O)N3CCC4(CCCCOCCCNC(=O)[C@H](C)NC4=O)CC3)on2)cc1	643564088	FWRAYGUGJPXPRR-IBGZPJMESA-N	512.607	2.784	0	40	KFAB	
CCN1CCC[C@H]1CNC(=O)[C@@H]1CCC(=O)N(Cc2ccccc2)CC(=O)N[C@@H](C(C)C)COc2ccccc2C(=O)N1	643577976	LCHYFNKWVZLMDY-RZDMPUFOSA-N	591.753	2.728	0	40	KFAB	
CCn1c(Cn2nnc(-c3ccccc3)n2)nnc1SCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	6878372	FTRQWKNKIVAYNR-UHFFFAOYSA-N	567.701	2.905	0	40	KFAB	
CCC(C)(C)NC(=O)[C@H](c1cc(OC)c(OC)c(OC)c1)N(CCOC)C(=O)Cn1nnc2ccccc21	13023983	JVXJRZBREAYCQY-DEOSSOPVSA-N	527.622	2.978	0	40	KFAB	
COc1ccc(NC(=O)[C@@H](c2ccc(OC)cc2)N(Cc2ccco2)C(=O)C[C@@H]2NC(=O)NC2=O)cc1	13146689	QYOLBTBPLYDETO-JTHBVZDNSA-N	506.515	2.604	0	40	KFAB	
Cc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1C	20802903	PHZGJLHNLSJWEV-HSZRJFAPSA-N	531.579	2.800	0	40	KFAB	
COc1cccc(CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@H](C(=O)NC[C@H]2CCCO2)c2cccc(OC)c2)c1	33356902	ZBJYOHYPZBHRRD-IRPSRAIASA-N	607.685	2.914	0	40	KFAB	
CN(C(=O)COC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)[C@@H]1CCS(=O)(=O)C1	97979451	QHBAJNNYZPEDAR-VDZCTEQFSA-N	547.589	2.848	0	40	KFAB	
Cc1ccc(OC[C@@H](O)CN2C(=O)N(CN3C(=O)N(C[C@H](O)COc4ccc(C)cc4)C(=O)C3(C)C)C(C)(C)C2=O)cc1	100654423	OZBYBNWMXWXNTQ-GOTSBHOMSA-N	596.681	2.526	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)C2)cc1C	222533506	BDOROXQPMIHFJH-GOSISDBHSA-N	509.650	2.602	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C	225365819	XQCIYHGDWVOBNQ-VQTJNVASSA-N	504.653	2.640	0	40	KFAB	
COc1ccc([C@H](Nc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)C(=O)NC[C@H]2CCCO2)cc1OC	245229861	HOKKBSSZGQJUFF-OTPAQWSUSA-N	533.647	2.610	0	40	KFAB	
CC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4ccc(C(F)(F)F)cc4)C[C@H]3C(=O)NC[C@H]1O2	253404219	QWDXZQRVKRVFRZ-CFJXPYFLSA-N	588.627	2.983	0	40	KFAB	
COc1ccc(N([C@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)cc1Cl	260885894	ACPIFAOTLICHDN-GOSISDBHSA-N	574.121	2.873	0	40	KFAB	
Cc1cc(S(N)(=O)=O)ccc1OCC(=O)N1CCO[C@@]2(CCCCc3ccccc3OCCN(C(C)C)C2=O)C1	643557158	QMNRCKZMKVTINV-LJAQVGFWSA-N	573.712	2.661	0	40	KFAB	
CS(=O)(=O)NCC(=O)N1CCC2(CCCCc3ccccc3OCCN(Cc3cccnc3)C2)CC1	643569744	COBNYDCGSGFMMR-UHFFFAOYSA-N	514.692	2.847	0	40	KFAB	
CN(C)CCN(Cc1ccccn1)C(=O)[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCOc2ccccc2C(=O)N1	643577185	LJWAXBXUBRYKFI-QXUSSCGESA-N	786.934	2.996	0	40	KFAB	
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	2060999609	QOMBXPYXWGTFNR-PLTRHYNVSA-N	767.010	2.953	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccn(CC)n3)c(=O)n2[C@@H]1c1ccc(Br)cc1	2788430	GGQGFWCJIWGZPM-XYSGSMRZSA-N	501.406	2.777	0	40	KFAB	
COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(OC)cc2)cc1	7059013	VGDFQLJTRJMZHT-UGKGYDQZSA-N	539.614	2.525	0	40	KFAB	
NC(=O)c1nsc(C(=O)N(Cc2ccco2)[C@@H](C(=O)NCc2ccccc2)c2ccc(O)cc2)c1N	12474375	GSUFUGDWQOHZER-OAQYLSRUSA-N	505.556	2.823	0	40	KFAB	
O=C(NCC(=O)N(c1ccc2c(c1)OCO2)[C@H](C(=O)NC[C@H]1CCCO1)c1ccccc1)c1ccco1	12486677	MMUCMBJNWRLAIU-NLFFAJNJSA-N	505.527	2.808	0	40	KFAB	
Cc1ccc(C)c(NC(=O)CN(C)C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1	12848221	CLCHYKRWWFXVTD-UHFFFAOYSA-N	501.605	2.572	0	40	KFAB	
Cc1c2c(=O)n(-c3ccccc3)nc-2c2c(n1CCN1CCOCC1)OC(=O)C[C@H]2C(=O)Nc1ccccc1	19944018	SVZMJODBZXRJNG-JOCHJYFZSA-N	527.581	2.811	0	40	KFAB	
COc1ccc(CCNC(=O)C(=O)NC[C@@H](c2ccco2)N2CCN(c3ccccc3F)CC2)cc1OC	56945726	FHQZNFQNEDHMCH-QHCPKHFHSA-N	524.593	2.774	0	40	KFAB	
COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NCCN2C(=O)S/C(=C/c3ccc(F)cc3)C2=O)CC1	103042726	BSKJRKSZKVIIKA-LTGZKZEYSA-N	575.640	2.866	0	40	KFAB	
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COC(=O)CCS(=O)(=O)c1ccc(C)cc1	103141790	OSXZVVLZVZYULN-UHFFFAOYSA-N	534.631	2.975	0	40	KFAB	
COC1=C2CC(C)=c3c(C(C)=O)c(OC)c(O)c4c5c6c(c(OC)cc(c6c2c34)C(=O)[C@@H]1O)=C(OC)CC5=O	104950030	SWPTZKGTJRUNTL-NDEPHWFRSA-N	530.529	2.748	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	223073236	ABFJSXJRBRZMTE-MRXNPFEDSA-N	543.459	2.754	0	40	KFAB	
COc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1OC	224064969	HTAOCWWIQJUPJP-KRWDZBQOSA-N	523.627	2.941	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1ccc(OC)cc1)[C@@H](C)C(=O)NCC(C)C)c1ccc2c(c1)OCCO2	224472720	HZOFPGXCLLLUIH-FQEVSTJZSA-N	547.674	2.812	0	40	KFAB	
COc1ccccc1N1CCN(C[C@H](O)CN2C(=O)[C@H]3C4c5ccccc5C(C(C)=O)(c5ccccc54)[C@H]3C2=O)CC1	248375972	BSKCHUWGIPJEQQ-HKFOTILOSA-N	565.670	2.814	0	40	KFAB	
COc1ccc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3ccc(Cl)cc3Cl)CC2=O)cc1OC	408656281	NCRSJEJSFYELME-CYBMUJFWSA-N	510.330	2.686	0	40	KFAB	
CC(=O)Nc1ccc(NC(=O)COC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1	408686388	MZTFHDUWXAXRCE-MXRFJIIXSA-N	501.539	2.545	0	40	KFAB	
CCOc1c(OC)cccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3cc(OC)c(OC)c(OC)c3)c(=O)n21	409012510	ILHHQVKOJACQIT-OWXSRONMSA-N	598.674	2.858	0	40	KFAB	
COC(=O)COc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1Br	409217054	RAWHHTAXOKCTJG-CXUHLZMHSA-N	506.284	2.671	0	40	KFAB	
CCOc1ccc(NS(=O)(=O)c2cc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)ccc2C)cc1	2645905	USLSPPAHEKGXHO-UHFFFAOYSA-N	517.629	2.814	0	40	KFAB	
COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(Cc4ccccc4)CC3)cc2c1	19940676	RYELDCLHVGZFJQ-ZEQKJWHPSA-N	515.618	2.609	0	40	KFAB	
O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1Cc1ccccc1)N1CCN(Cc2ccco2)CC1)OCO3	20084334	FLOKQKRMRJBSML-SANMLTNESA-N	525.569	2.792	0	40	KFAB	
Cc1cc(C)c2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2c1	22869851	NWOQGZKNKVUCJQ-RBISFHTESA-N	557.655	2.946	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCCC2)c1	59853711	ISYQNBUYXBVMIG-UHFFFAOYSA-N	537.660	2.915	0	40	KFAB	
COC(=O)COc1ccc(NC(=O)Cn2nc(-c3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)c3ccccc3c2=O)cc1	98003733	LFJWZGQJWCKALS-UHFFFAOYSA-N	606.657	2.583	0	40	KFAB	
COc1ccc(C2(O)CCC(N3CC[C@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1	149816610	NXZNYBUBXWWKCP-LQAIBEDLSA-N	520.552	2.860	0	40	KFAB	in-vitro
CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	223075512	UGKDFTLGWRETAT-OAHLLOKOSA-N	522.421	2.537	0	40	KFAB	
CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	223667375	HSPSWJJOVXDURR-NRFANRHFSA-N	515.632	2.952	0	40	KFAB	
COC(=O)CSc1nnc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3cccc(Cl)c3)C2)s1	223689860	CRGYETRWLMVMSC-ZDUSSCGKSA-N	505.043	2.637	0	40	KFAB	
Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)Nc3ccccc3C(=O)NC[C@H]3CCCO3)s2)c1	225188340	SINAFFFPYIRKKF-MRXNPFEDSA-N	501.590	2.808	0	40	KFAB	
CCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	225372544	BNYYRNUGGMPNKD-JOCHJYFZSA-N	535.663	2.812	0	40	KFAB	
CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225546506	BUVSJYSBRBDCTL-QGZVFWFLSA-N	524.039	2.819	0	40	KFAB	
CC[C@H](C)[C@H](NC(=O)[C@@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccccc1)C(N)=O	245238382	MLLNBNIWCJUKEH-YLJDOISLSA-N	582.698	2.757	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1ccc(OC)cc1)[C@H](C)C(=O)NC(C)C)c1ccc2c(c1)OCCO2	260757751	RUVKGPMBCBSEJP-LJQANCHMSA-N	533.647	2.564	0	40	KFAB	
COc1ccc(OC)c(N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c1	260795079	OSJZSKGTNVYIRZ-LJQANCHMSA-N	517.648	2.946	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	260926697	VDSGCUVRFLXZGY-MOPGFXCFSA-N	503.621	2.903	0	40	KFAB	
CCOc1ccc(N(CC(=O)NCCCN2CCOCC2)S(=O)(=O)c2ccc(SC)cc2)cc1	408617063	FBJKMORBHSSVHP-UHFFFAOYSA-N	507.678	2.841	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/[C@@H]3C(=O)N(c4ccccc4)N=C3C)c(=O)n2[C@@H]1c1cccc(OC)c1	409023525	XWZRCALJOGKCGP-ZNOFGSDDSA-N	530.606	2.798	0	40	KFAB	
O=C(C[C@]1(COc2ccc(F)cc2)CN(C(=O)COc2ccc(Cl)cc2)CCO1)N1CCOCC1	585283638	FZULNPQZCVXIPC-RUZDIDTESA-N	506.958	2.783	0	40	KFAB	
CC(=O)N1CCC(C(=O)N2CCCCNC(=O)c3cc(Cl)ccc3OC[C@H](CC(C)C)NC(=O)C2)CC1	643557093	WMJFULJCJZRVNB-QFIPXVFZSA-N	535.085	2.860	0	40	KFAB	
COc1cc(S(=O)(=O)NCc2ccccc2)c(S(=O)(=O)NCc2ccccc2)c(OC)c1OC	1426090	BZCCVKUQTJNTDG-UHFFFAOYSA-N	506.602	2.669	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OC)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1	2177315	GCMADUSEPXWWKK-LJJBLSSYSA-N	554.621	2.841	0	40	KFAB	
CCOc1ccc(CCn2c3c(c(=O)[nH]c2=O)[C@](NC(=O)c2ccccc2)(C(F)(F)F)C(=O)N3)cc1OCC	2192590	KYIYEKZGARHELC-RUZDIDTESA-N	546.502	2.716	0	40	KFAB	
COc1ccc([C@H](C(=O)NCCC(C)C)N(Cc2ccco2)C(=O)c2snc(C(N)=O)c2N)cc1OC	6134126	CHOOEMRWXGEEBQ-OAQYLSRUSA-N	529.619	2.980	0	40	KFAB	
COc1ccc(CCNC(=S)N(CCCN2CCOCC2)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1OC	6240107	JKKJKZYZVTXKBD-UHFFFAOYSA-N	568.696	2.916	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(Cc3ccc4c(c3)OCO4)[C@@H](C(=O)NC[C@H]3CCCO3)c3ccco3)n2)cc1	7060752	ADJGNOQRSAYVFB-AJTFRIOCSA-N	574.594	2.736	0	40	KFAB	
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(Cl)cc3)CC2)N[C@H]1c1ccc(OC)c(OC)c1	19817812	KOLXNHPLDLPEQV-VXKWHMMOSA-N	500.983	2.886	0	40	KFAB	
COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1C(=O)NC(C)C	20485652	DXHHZGKKSXKHDQ-UHFFFAOYSA-N	519.605	2.533	0	40	KFAB	
CCN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1)S(C)(=O)=O	22535110	RVUHZUKFQQUBED-UHFFFAOYSA-N	503.606	2.932	0	40	KFAB	
Cn1c(=O)c2c(nc(CN3CCN(c4ccc(F)cc4)CC3)n2Cc2c(F)cccc2Cl)n(C)c1=O	57010856	XSJHAUXISZLCJY-UHFFFAOYSA-N	514.964	2.736	0	40	KFAB	
CCCCN(C)C(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)NC(C)C)c2=O)cc1	64449327	GQHXICKZGXUHOK-UHFFFAOYSA-N	524.618	2.625	0	40	KFAB	
C/C=C(\C)C(=O)OC[C@]1(O)[C@H]2C[C@H]2[C@]2(C)[C@@H]3CC4=C5[C@H](/C(=C(\C)C(=O)OC)C(=O)[C@H](O)[C@@]5(C)[C@@H]5C[C@H]45)[C@@]34OC(=O)C(CO)=C4C[C@@H]12	96023869	KDKIOCIPCJDWMT-ADSFGAOYSA-N	634.722	2.509	0	40	KFAB	biogenic
CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCO5)coc3c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	103692577	MJRFCSQUAHKKFK-GQZUPRNYSA-N	626.567	2.693	0	40	KFAB	
O=C(C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1)N1CCN(S(=O)(=O)c2ccccc2)CC1	216300555	NXSPTFZJZGJHGU-UHFFFAOYSA-N	544.070	2.554	0	40	KFAB	
CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	223156885	OJSZUOKNFCQRHT-DEOSSOPVSA-N	519.623	2.916	0	40	KFAB	
COc1ccccc1CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(C)S(C)(=O)=O	223187612	OSXRJYPVGXEDGF-RUZDIDTESA-N	541.645	2.982	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223829284	MAQPPRNUWIXAJW-GOSISDBHSA-N	521.611	2.697	0	40	KFAB	
C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	223885835	KIRHRWGUTDLOEF-KRWDZBQOSA-N	519.595	2.797	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O	224002993	OOMVOUVLKMPIBO-LJQANCHMSA-N	505.637	2.803	0	40	KFAB	
COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCOc3ccc(S(=O)(=O)N(C)C)cc3)cc2)cc1OC	224218556	GJSYIZWEAWFSQA-UHFFFAOYSA-N	577.681	2.588	0	40	KFAB	
COc1cccc(CN(C(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)[C@H](C)C(=O)NCC(C)C)c1	224447491	DGFMHEDMOUPIDX-LJQANCHMSA-N	515.632	2.809	0	40	KFAB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-n1cnnc1	225388313	RHXYRAVWPRRLLC-FCHUYYIVSA-N	508.633	2.951	0	40	KFAB	
Cc1cccc(CN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)[C@H](C)C(=O)NCC(C)C)c1	260911718	QKTJTRDZZLOCCX-HXUWFJFHSA-N	506.644	2.936	0	40	KFAB	
CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC(=O)OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cc1OC	409040521	YQPSIIVDYLQBCC-XMHSLYEBSA-N	668.721	2.699	0	40	KFAB	
COC(=O)COc1cc(Br)c(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1OC	409209928	IKWDGTUNTHUELC-FRKPEAEDSA-N	536.310	2.680	0	40	KFAB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(OCC(=O)N4CCOCC4)c(Cl)c3)C2=O)o1	409401911	UKKRUSPTIDLPAC-YVLHZVERSA-N	538.340	2.704	0	40	KFAB	
CO[C@@H]1C[C@H](O[C@H]2CC[C@@]3(C)C(=CC[C@]4(O)[C@@H]3C[C@@H](OC(=O)c3ccc(O)cc3)[C@]3(C)[C@](O)(C(C)=O)CC[C@]43O)C2)O[C@@H](C)[C@@H]1O	2061000627	BBHWWOFPWSEYTP-OUBMKJJUSA-N	644.758	2.936	0	40	KFAB	
O=C(OCc1cccc(S(=O)(=O)N2CCOCC2)c1)c1nn(Cc2ccccc2)c(=O)c2ccccc12	2633356	DNFXLDHCUXFWRO-UHFFFAOYSA-N	519.579	2.823	0	40	KFAB	
CCOC(=O)CSC1=Nc2ccccc2C2=N[C@H](CCC(=O)NCc3ccc4c(c3)OCO4)C(=O)N12	2967168	DEBXBCYRVDGOLH-GOSISDBHSA-N	508.556	2.767	0	40	KFAB	
COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(O)c2)cc1	7059572	KYFVBSMFZAKCHP-OAQYLSRUSA-N	509.588	2.985	0	40	KFAB	
CC(=O)O[C@H](C(=O)Nc1ccccc1C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=O)Nc1ccccc1C	8430018	ODNNSSVHYRRBGB-QYOOZWMWSA-N	556.568	2.607	0	40	KFAB	
CCOC(=O)C1=c2s/c(=C/c3ccccc3OC)c(=O)n2C(N)=C(S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1OC	8444271	AUIPBZVXOGDRFW-GBOLQPHISA-N	604.706	2.826	0	40	KFAB	
CN(C)c1ccc(C(=O)N2CCN(C(=O)C3CCCCC3)[C@H](C(=O)N[C@@H](CC3CCCCC3)C(N)=O)C2)cc1	8627204	GIDTWFHDEFGGHA-UIOOFZCWSA-N	539.721	2.926	0	40	KFAB	biogenic,in-vitro
O=C(CS(=O)(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12)Nc1ccc(Br)cc1	9519751	DLXNZWCWROWUBQ-UHFFFAOYSA-N	520.405	2.675	0	40	KFAB	
Cc1cccc(NC(=O)Cn2c(=O)n(CCCC(=O)NCc3ccc4c(c3)OCO4)c(=O)c3ccccc32)c1	100036826	SMUHZMJYIHJBJB-UHFFFAOYSA-N	528.565	2.936	0	40	KFAB	
CC[C@@H](c1nnnn1CCOC)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3	100370781	ZKHZNUKJEYNYQZ-NRFANRHFSA-N	534.573	2.814	0	40	KFAB	
C[C@@H]1[C@@H](NC(=O)COC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)CCC[C@H]1C	108330192	CJQSLBHAGYUEPH-QTEQDKRBSA-N	521.680	2.796	0	40	KFAB	
CO[C@H]1[C@@H](O)[C@@H](C)O[C@@H](O[C@@H]2C[C@@H]3CC[C@@H]4[C@H](CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@@]45O)[C@@]3(C)[C@H](OC(C)=O)C2)[C@H]1O	118926876	NTCQLIABTKPIND-DZLNECDOSA-N	592.726	2.652	0	40	KFAB	
CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	222916819	HWCOXGUSUXOGNR-QFIPXVFZSA-N	519.664	2.844	0	40	KFAB	
CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	223756921	OIFXPXRLFFGCQK-XMMPIXPASA-N	535.622	2.616	0	40	KFAB	
CC[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O	224335121	AKVSJZQBLTTWMR-NRFANRHFSA-N	574.121	2.873	0	40	KFAB	
COC(=O)c1cc(NC(=O)C[C@@H]2C(=O)N[C@@H]3CCCC[C@H]3N2C(=O)c2ccccc2OC)cc(C(=O)OC)c1	250396747	JLLAAUQOIIXJFF-YPAWHYETSA-N	537.569	2.549	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	260984862	BQUJYOKPHWHVMK-MSOLQXFVSA-N	521.611	2.695	0	40	KFAB	
NC(=O)C[C@H](c1cccc(OC(F)F)c1)c1oc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c1O	524730672	SIKVVYUWYCZFGP-OXFYSEKESA-N	527.524	2.735	0	40	KFAB	biogenic
Cc1cc(OC[C@]2(CC(=O)N3CCN(C)CC3)CN(C(=O)C[C@@H]3CCCCO3)CCO2)ccc1Cl	585286885	RZOKXLUPRLUORY-LVXARBLLSA-N	508.059	2.748	0	40	KFAB	
CC[C@@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)NCC(=O)N1CCOCCOc2ccccc2OCCOCC1	4577483	KMHDWUBIIWOOQM-LNGZGTQPSA-N	668.788	2.768	0	40	KFAB	
CCOC(=O)NC(=O)c1cc2cc(I)cc(I)c2oc1=O	8431333	RTBPSFSRDGCEBT-UHFFFAOYSA-N	513.025	2.889	0	40	KFAB	
Cc1ccc(S(=O)(=O)c2nnn3c2nc(N2CCN(C(=O)c4ccco4)CC2)c2ccccc23)cc1	9152444	JWORGFQYCWNBBL-UHFFFAOYSA-N	502.556	2.974	0	40	KFAB	
CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2ccccc2OC(F)F)CC1	12521642	KZZBCQUKBXMPBZ-UHFFFAOYSA-N	524.590	2.703	0	40	KFAB	
CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(Cc4ccccc4)CC3)cc2c1	19940373	XSXVBNBEMWQPQK-SQHAQQRYSA-N	529.645	3.000	0	40	KFAB	
CCC(C)(C)n1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(Cc2ccco2)CC1	20084340	HWIWZDLDHHKXGN-HSZRJFAPSA-N	505.579	2.889	0	40	KFAB	
O=C(O)Cn1cc([C@@H](C(=O)O)N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2ccc(Br)cc21	100792766	BNDXYQPZYYJTGI-OKHZJLECSA-N	500.349	2.895	0	40	KFAB	
CCOC(=O)CC[C@H](N[P@](=O)(OC)[C@H](C)NC(=O)CCCCN1C(=O)c2ccccc2C1=O)C(=O)OCC	103218782	QLPMYTASQFPPNX-BEJRQBBCSA-N	553.549	2.619	0	40	KFAB	
CCCCCCCCCCCCCCNC(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)O)C(C)C	139519765	DDWCWYYWIDWXSB-HJOGWXRNSA-N	556.793	2.763	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	222763519	LIRVWTLKPMCQCC-CQSZACIVSA-N	519.426	2.909	0	40	KFAB	
COc1ccccc1CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(C)S(C)(=O)=O	223044062	XYYACOIIAVDZGU-RUZDIDTESA-N	523.655	2.843	0	40	KFAB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1CCCN1CCOCC1	223179081	CHUJTXKLJKCHIS-SVBPBHIXSA-N	526.751	2.917	0	40	KFAB	
CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O	223454356	JTMKHXQBMKJEBZ-OAQYLSRUSA-N	505.637	2.803	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1	224396543	BJOYLPWWRJYCAW-UHFFFAOYSA-N	567.705	2.737	0	40	KFAB	
COC(=O)CSc1nnc(NC(=O)c2ccc(CN3CCN(S(=O)(=O)c4ccccc4)CC3)cc2)s1	225864487	LLEIXGHZXPMQCV-UHFFFAOYSA-N	547.684	2.562	0	40	KFAB	
CS(=O)(=O)N[C@@H](CC(=O)N1C[C@H](C(=O)NCCc2ccccc2)Oc2ccccc21)c1ccc(F)cc1	225943689	KTVISBOWRQISSX-WIOPSUGQSA-N	525.602	2.959	0	40	KFAB	
CS(=O)(=O)N(CC(=O)N1C[C@@H](C(=O)NCCc2ccccc2)Oc2ccccc21)Cc1ccccc1	226034865	ZQFJKBCIIJNKDN-VWLOTQADSA-N	507.612	2.601	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	260940605	IRVQORWFKSSMNY-MOPGFXCFSA-N	522.643	2.779	0	40	KFAB	
CC1CCN(S(=O)(=O)c2ccc(OCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2)CC1	408618388	FZFZKNZLBBHTMX-UHFFFAOYSA-N	515.632	2.559	0	40	KFAB	
CC(C)COC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccccc3Cl)C2)cc1	408658838	RPCCVRPCSDMXJI-QGZVFWFLSA-N	515.950	2.828	0	40	KFAB	
COC(=O)COc1ccc(Br)cc1/C=C1/NC(=O)N(CC(=O)Nc2ccccc2OC)C1=O	409234333	ZKFMOWVQZZWZIA-MHWRWJLKSA-N	518.320	2.541	0	40	KFAB	
CCN1C[C@]2(COC)CC[C@H](OC)[C@]34[C@@H]5C[C@]6(O)[C@@H](OC)C[C@](OC(C)=O)([C@H]([C@H](OC)[C@H]23)[C@@H]14)[C@H]5[C@H]6C(=O)c1ccc(OC)cc1	575600678	YRECILNLFWZVRM-PKVRQPLMSA-N	627.775	2.989	0	40	KFAB	
Cc1cc(OC[C@@]2(CC(=O)N3CCOCC3)CN(C(=O)CCCn3ccnc3)CCO2)ccc1Cl	585287064	SEAYPXIXQRYRAR-RUZDIDTESA-N	505.015	2.551	0	40	KFAB	
C[C@@H]1NC(=O)C2(CCCCOCCCNC1=O)CCN(C(=O)CCc1nc3cccc(Cl)c3n1C)CC2	643564167	QQTWWWUDDZXWJW-IBGZPJMESA-N	532.085	2.980	0	40	KFAB	
O=C(Nc1cccc(C(F)(F)F)c1)N[C@H]1CO[C@@H]2[C@@H](n3nnnc3Oc3ccc4c(c3)OCO4)CO[C@H]12	4259773	UJQVEBAUCQBNTG-ILRDRHFLSA-N	520.424	2.742	0	40	KFAB	biogenic,in-vitro
CCC[C@H](C(=O)NC1CCCC1)N(CCc1ccc(OC)c(OC)c1)C(=O)c1snc(C(N)=O)c1N	6501358	MTYIEORCZXPUAW-QGZVFWFLSA-N	517.652	2.754	0	40	KFAB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc4c(c3)n(C)c(=O)n4C)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	8454209	HZGBZODLAGVAIK-GWXSLXSZSA-N	594.649	2.855	0	40	KFAB	
CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1Br	19855967	HKALXMZTIAMVED-UHFFFAOYSA-N	516.439	2.638	0	40	KFAB	
CCOC(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(OCC)c(Cl)c2)CC1	22248176	UAFMZIKTBUDTFC-NRFANRHFSA-N	524.039	2.929	0	40	KFAB	
CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2c1	22866435	QSHWORJVSDGIQP-FIPFOOKPSA-N	557.655	2.892	0	40	KFAB	
CC(C)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	38142053	PBUNVLRHZGSROC-FVXXWMSLSA-N	577.726	2.521	0	40	KFAB	
COC(CNC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)OC	49942359	HILGGRLSUGSIMC-ZQGOCCMTSA-N	533.662	2.877	0	40	KFAB	biogenic
CC(=O)Nc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1	59816512	OOFGNOPEMYJGFB-GDLZYMKVSA-N	582.705	2.708	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)Cc2ccccc2)cc1OC	59837536	ZOQLNNSQEQLTAY-UHFFFAOYSA-N	587.720	2.996	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)cc1C	59838532	OMBKLNXQEPHKLP-UHFFFAOYSA-N	535.688	2.505	0	40	KFAB	
CC(=O)c1ccc(NC(=O)Cn2c(=O)n(CC(=O)NC3CCCC3)c(=O)c3oc4ccccc4c32)cc1	72332062	DHBMWWSGVAPMIJ-UHFFFAOYSA-N	502.527	2.810	0	40	KFAB	
COC(=O)[C@@]1(CCSC)N[C@@H](c2ccc(OC)cc2OC)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21	100421142	WVBQHKKDSUDZBV-UKDJSQQHSA-N	502.564	2.958	0	40	KFAB	
COC(=O)Cn1c(=O)c(C(=O)COC(=O)c2ccccc2OCc2ccc(F)cc2)c(N)n(Cc2ccccc2)c1=O	103089212	KUVFGZHMSOLCOL-UHFFFAOYSA-N	575.549	2.571	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O	224024158	QFYBILULNJGDOB-INIZCTEOSA-N	512.028	2.677	0	40	KFAB	
COC(=O)c1cc(NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc(C(=O)OC)c1	408614094	YGLAZUMWQFLKGO-UHFFFAOYSA-N	503.360	2.967	0	40	KFAB	
CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cc(OC)c(OC)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1	408983796	CPWBUJQQWJDHRV-RLFCKUQXSA-N	596.658	2.766	0	40	KFAB	
COCC(=O)N1CCN(Cc2cccc(OCCn3nc(C)cc3C)c2)C[C@@](O)(COc2ccc(C)cc2)C1	585274237	XVUKOHPSMGKZDF-PMERELPUSA-N	536.673	2.988	0	40	KFAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NC2CCN(Cc3ccccc3)CC2)CC(=O)N[C@@H](CC(C)C)C1=O	643582575	NDWPYVSJEYCUNC-NSOVKSMOSA-N	591.753	2.728	0	40	KFAB	
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCc1cccc(C2CCNCC2)n1)C(=O)O	2037880002	IKKKBLVMSIELRE-DQEYMECFSA-N	510.635	2.530	0	40	KFAB	
C[C@@H](O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCc1cc(=O)oc2cc(Br)ccc12	3417744	IZXOHXMVHFNTAD-NSPYISDASA-N	530.780	2.980	0	40	KFAB	
COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(=O)nc[nH]c43)[C@@H](O)[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1	6239727	PQXVLEMIGAJLIN-WJLKJTLYSA-N	570.602	2.765	0	40	KFAB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	13129331	HQXMXBJQJUIZQU-UHFFFAOYSA-N	507.612	2.951	0	40	KFAB	
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(Cl)cc3)CC2)N[C@@H]1c1ccc(OC)cc1OC	19817888	MCLFVRKXEOBTIZ-FGZHOGPDSA-N	500.983	2.886	0	40	KFAB	
Nc1ncn([C@@H]2C[C@H](OC(=O)c3ccc(Cl)cc3)[C@@H](COC(=O)c3ccc(Cl)cc3)O2)c(=O)n1	31717172	TWEZWUPSUOJPMB-KSZLIROESA-N	505.314	2.897	0	40	KFAB	
COc1ccc(NC(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)OCCO3)C(C)C)cc1S(=O)(=O)N1CCCCC1	102777590	GGXSZJOLQYRCNU-DEOSSOPVSA-N	567.686	2.583	0	40	KFAB	
COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)COC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)cc1OC	103129087	DHSSHPRZFZIQQJ-FQEVSTJZSA-N	548.577	2.690	0	40	KFAB	
COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1)S(C)(=O)=O	139679411	NRHRIIXKROSYHP-UHFFFAOYSA-N	540.023	2.653	0	40	KFAB	
CCc1ccc(O[C@@H](C)C(=O)NCc2nnc(SCC(=O)Nc3cccc(C(=O)OC)c3)n2C)cc1	147937651	OSYKCERDAMFCIP-INIZCTEOSA-N	511.604	2.979	0	40	KFAB	
COC(=O)COc1c(I)cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc1OC	205766112	DAIOBGZACJBLGH-VGOFMYFVSA-N	549.339	2.840	0	40	KFAB	
COc1ccc(C(=O)N2C[C@H](C(=O)NCCc3ccccc3)Oc3ccccc32)cc1S(=O)(=O)N(C)C	222910811	LOQCZOLFCJALRH-XMMPIXPASA-N	523.611	2.712	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)[C@@H](C)C(=O)NCC(C)C)cc1	224476645	XCDIOZMHQBBZGB-IBGZPJMESA-N	522.643	2.637	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	224692843	ZMUMGYYGWMDDGJ-HXUWFJFHSA-N	517.648	2.866	0	40	KFAB	
CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	224759351	JPXKEWQYODDLSL-OAQYLSRUSA-N	521.611	2.900	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O	225393458	LBKQCRGESPOJQG-AWEZNQCLSA-N	563.845	2.874	0	40	KFAB	
CNS(=O)(=O)c1ccc(C)c(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	226011966	QKFREOHFYUYHPI-UHFFFAOYSA-N	561.682	2.792	0	40	KFAB	
CCOC(=O)COc1c(I)cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc1OC	409232352	QEVTZVQECQPBOK-LICLKQGHSA-N	609.373	2.782	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)OCC(=O)N1CC(=O)Nc2ccccc21	3290773	PDPJOTXGKZVVLN-UHFFFAOYSA-N	521.551	2.589	0	40	KFAB	
O=C(CSC1=Nc2ccccc2C2=N[C@H](CCC(=O)NC3CCCCC3)C(=O)N12)NC[C@H]1CCCO1	9471941	MUIXFUPUYZUAIO-WIYYLYMNSA-N	511.648	2.903	0	40	KFAB	
NC(=O)c1nsc(C(=O)N(c2ccccc2)[C@H](C(=O)NC[C@@H]2CCCO2)c2c[nH]c3ccccc23)c1N	12467754	NZTUEHLMGIVIKN-AOMKIAJQSA-N	518.599	2.989	0	40	KFAB	
COc1ccc(-n2nnnc2SCC(=O)NCCN2C(=O)S/C(=C\c3ccccc3F)C2=O)cc1	12539435	UYWHMVKIZLXOGU-PDGQHHTCSA-N	514.564	2.755	0	40	KFAB	
CCN(CC)CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1	12562877	LTNUASSKFHPIEG-UHFFFAOYSA-N	503.621	2.767	0	40	KFAB	
Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(S(=O)(=O)N(C)C)cc3)C2)c(C)c1	20032110	VZMRTPBUJIRHEX-NRFANRHFSA-N	507.678	2.579	0	40	KFAB	
CCN(CC)CCNC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)cc1	32958315	MZBJWGPSRGYJTB-JOCHJYFZSA-N	510.635	2.805	0	40	KFAB	
COc1cc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(CCCN4CCOCC4)CC(=O)N32)cc(OC)c1OC	70680604	HUIUCGDPSHQXLF-QDPGVEIFSA-N	548.640	2.601	0	40	KFAB	biogenic
COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(CN(C)S(C)(=O)=O)cc3)cc2)c1	112256912	IICWVWTYBAEPDC-UHFFFAOYSA-N	563.654	2.914	0	40	KFAB	
CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	224929220	RFGUUINHDKRHNS-QHCPKHFHSA-N	547.674	2.812	0	40	KFAB	
CN(C)[C@@H]1CC[C@@]2([C@H](O)CNS(=O)(=O)c3ccc(F)cc3)C[C@H](c3ccccc3)C[C@](C)(O2)[C@H]1O	257308476	TWVVZIMVNOYPRO-YBYLWCFMSA-N	506.640	2.642	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2ccccc2OC)S(C)(=O)=O)[C@H](C)C(=O)NC(C)(C)C)c1	260797437	PMYHUWAGRZHNKI-GOSISDBHSA-N	505.637	2.802	0	40	KFAB	
COc1ccc(OC)c(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1	408690792	WRODIVHKURHZGL-WDYMBFKSSA-N	504.539	2.604	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/[C@@H]3C(=O)N(c4ccccc4)N=C3C)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	409017797	HQCCRUJZXOBOHY-NESBPEMSSA-N	544.589	2.518	0	40	KFAB	
CC[C@H](C)[C@@H]1NC(=O)C[C@@H](C(=O)NCC(C)(C)c2ccc(F)cc2)NC(=O)c2ccccc2OCCN(C)C1=O	1615075991	JWIXSEKYICXALB-CZZAQMAHSA-N	554.663	2.790	0	40	KFAB	
COc1ccc(CN2CCN(C(C)=O)C[C@@](O)(COc3ccc(F)cc3)C2)cc1OCCn1ccnc1	2037940768	ISGKYFLHNBTVCD-HHHXNRCGSA-N	512.582	2.584	0	40	KFAB	
C[C@@H]1O[C@H](O[C@@H]2CC[C@@]3(C)[C@H](CC[C@]4(C)[C@@H]3C=C[C@]35OC[C@@]6(CCC(C)(C)C[C@@H]63)[C@@H](O)C[C@@]54C)C2(C)C)[C@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O	2061000957	KQGDHYQRJRGMDG-WDIGUOMYSA-N	764.994	2.805	0	40	KFAB	
COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1C	883764	CDRDOKSWHCYTPT-UHFFFAOYSA-N	517.633	2.551	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OC)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	1212593	MNVIMMQCPCQZTE-QCHPHUCNSA-N	524.595	2.833	0	40	KFAB	
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(C)C)C(N)=O	6134946	KXYQTNFTLYPKFE-BDTNDASRSA-N	515.655	2.761	0	40	KFAB	
CCCCCOC(=O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1cccc2ccccc12	6149682	HKUMEDOYHUAFKV-GOSISDBHSA-N	526.615	2.842	0	40	KFAB	
CC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C(=O)Nc4cc(C)on4)[C@]4(C)C=C[C@]3(O4)[C@H]2C(=O)NC(C)(C)C)c1	12642594	IIOSDNZJVAGURR-JTZBNFQWSA-N	506.559	2.784	0	40	KFAB	
Cc1cccc(N(CC(=O)NC(C)(C)C)C(=O)C[S@@](=O)CC(=O)Nc2ccc3c(c2)OCO3)c1C	19941144	BQRWIZFBQJHPRQ-PGUFJCEWSA-N	501.605	2.667	0	40	KFAB	
COC(=O)c1ccccc1NC(=O)Cn1c(=O)n(CCC(=O)N2CCc3ccccc3C2)c(=O)c2ccccc21	101331356	RZBFOCFPSZMDRS-UHFFFAOYSA-N	540.576	2.564	0	40	KFAB	
Cc1ccc(S(=O)(=O)NCCNC(=O)COc2ccc(S(=O)(=O)N[C@@H](C)c3ccccc3)cc2)cc1	222642870	LVRNLNUYFCJFMM-FQEVSTJZSA-N	531.656	2.508	0	40	KFAB	
COc1ccc(CCNC(=O)[C@@H](C)N(Cc2ccccc2)C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1OC	222702086	FCFBTCHCEIWJFA-XMMPIXPASA-N	625.744	2.880	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O	222795997	DWVDAIZFFNLCAH-CQSZACIVSA-N	502.420	2.931	0	40	KFAB	
CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCNS(=O)(=O)c3ccc(C)cc3)c(C)c2)cc1	222807075	PXUUQBXNKOAEFT-UHFFFAOYSA-N	561.682	2.976	0	40	KFAB	
CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	222937342	ZRDXYSJJIRLJMU-QFIPXVFZSA-N	506.644	2.813	0	40	KFAB	
Cc1ccc(CN(CC(=O)NCCNS(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	226014526	IKZRFGHOMRNRKQ-UHFFFAOYSA-N	529.684	2.897	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N(CC(=O)NCCSc2nc(C)n[nH]2)Cc2ccccc2)cc1C	226060934	BZHUMXCNKVMOCH-UHFFFAOYSA-N	503.650	2.920	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\Nc3cccc(C(=O)O)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	408873164	NWIRFJDBLPEUBB-VZIOXZNFSA-N	537.594	2.843	0	40	KFAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N(C)CCOc2ccccc2C)CC(=O)N[C@H](Cc2ccccc2)C1=O	643578677	FPGNNDBIBAGWTB-IZLXSDGUSA-N	600.716	2.989	0	40	KFAB	
O=C(c1cc(F)cc(F)c1)N1CCCCC2(CCN(Cc3ccccn3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1	643580710	ODHATEKGOCGLJR-LOSJGSFVSA-N	531.600	2.923	0	40	KFAB	
CCCN(CC(=O)N1CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)CN(C(=O)c2ccccc2F)C[C@H]1CC(C)C)C[C@H]1CCCO1	643586681	NUJKQKDPZCOWCA-FOGVCYIJSA-N	623.807	2.949	0	40	KFAB	
Cc1nnc(NC(=O)CSc2nnc(-c3ccc(NS(C)(=O)=O)cc3)n2Cc2ccco2)s1	6088960	GZNVLHGBVLPVKU-UHFFFAOYSA-N	505.607	2.849	0	40	KFAB	
CCOC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C	6546885	VKJPEHXWQZILKR-CVDCTZTESA-N	527.618	2.885	0	40	KFAB	
CCOCCCN(C(=O)Cn1nnc(-c2ccc(OC)cc2)n1)[C@H](C(=O)NC1CCCC1)c1ccco1	6600084	YCPGORYHOVBFGM-DEOSSOPVSA-N	510.595	2.997	0	40	KFAB	
COc1ccc(CNC(=O)[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C(C)C)cc1	13748116	BWUACECSQHPFNL-DEOSSOPVSA-N	501.649	2.862	0	40	KFAB	
COCCN(CC(=O)Nc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1	33937213	STKPZJWROFIVRG-LJQANCHMSA-N	509.650	2.526	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)C2CCCCC2)cc1OC	59837569	UXHQAJNSWGOLAN-UHFFFAOYSA-N	553.703	2.594	0	40	KFAB	
Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1	59852019	IJVWWVBSNZEKKZ-UHFFFAOYSA-N	535.688	2.649	0	40	KFAB	
COc1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c(N(Cc2ccccc2F)S(C)(=O)=O)cc1OC	59931173	HRPMYCZXGBKVSX-UHFFFAOYSA-N	537.591	2.709	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2C)CC1	60017951	SGYKTBDPDFFJQH-UHFFFAOYSA-N	535.688	2.969	0	40	KFAB	
CCOc1ccc(Cn2c(SCC(=O)N3CCN(c4ccc(F)cc4)CC3)nc3c2c(=O)n(C)c(=O)n3C)cc1OCC	98005109	XKWFRRXAQVUNCR-UHFFFAOYSA-N	610.712	2.859	0	40	KFAB	
C[C@]12[C@@H]3[C@@H]4[C@@H]5[C@H]1[C@@H]1[C@H](CC[C@H]1[C@H]5[C@@]1(C)[C@@H](N5C(=O)CCC5=O)O[C@@H]5CC[C@H]3[C@H]5[C@@H]41)O[C@H]2N1C(=O)CCC1=O	104288666	WHKWKQIREHTRPI-FVHQCFKVSA-N	520.626	2.551	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccc(F)cc2)cc1	108881729	TVNYGNMBEORIKM-UHFFFAOYSA-N	547.630	2.989	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2cc(Cl)ccc2O1	224477307	HQHGQMCROOSJBN-SANMLTNESA-N	622.121	2.512	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	225237664	JMIYVPSVEPUIPZ-QZTJIDSGSA-N	510.607	2.910	0	40	KFAB	
COC(=O)CSc1nnc(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCCC3)c2)s1	225243558	SYTWDZIVDRAKCH-UHFFFAOYSA-N	500.624	2.629	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	225537925	GURYQTPZCTXLRM-DEOSSOPVSA-N	537.638	2.876	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCC2)c1	260825634	ZOXGBYKPTWXMTN-LJQANCHMSA-N	517.648	2.946	0	40	KFAB	
COc1ccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3ccc(Cl)cc3Cl)CC2=O)cc1OC	408656282	NCRSJEJSFYELME-ZDUSSCGKSA-N	510.330	2.686	0	40	KFAB	
CNS(=O)(=O)c1ccc(CCC(=O)N2CCN(C(C)C)CCCN(C(=O)COC)c3ccccc3C2)cc1	643554817	OGKMSEVJZADWOW-UHFFFAOYSA-N	544.718	2.650	0	40	KFAB	
CN1CCN(CC(=O)N2CCC3(CCCCc4ccccc4OCCN(C(=O)c4cnccn4)C3)CC2)CC1	643574204	IXXNZFLGUSAVMO-UHFFFAOYSA-N	534.705	2.580	0	40	KFAB	
COc1cccc(-c2ccc3c(c2)O[C@H]2CN(C(=O)Nc4ccccc4)C[C@H]2N(C)C[C@@H](O)CNS3(=O)=O)c1	1534613750	XSDNHQVUEBNUBG-FBILRYNDSA-N	552.653	2.611	0	40	KFAB	
Cn1c(=O)c2c(nc3n(-c4ccc5c(c4)OCCO5)c(-c4ccc(Br)cc4)cn23)n(C)c1=O	2284741	GZECGWWQGZEPOD-UHFFFAOYSA-N	508.332	2.876	0	40	KFAB	
CCC(C)(C)NC(=O)[C@H](c1ccc(C)cc1)N(CCN1CCOCC1)C(=O)CNC(=O)c1cccs1	20150307	LYEIOKAGWPVRLM-DEOSSOPVSA-N	514.692	2.993	0	40	KFAB	
CCSc1nnc(NC(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2-c2ccccc2)s1	97985081	IOSPOLCPEAUUEV-UHFFFAOYSA-N	660.829	2.913	0	40	KFAB	
CCOC(=O)N[C@](C(=O)OCC)(N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1)C(F)(F)F	103567466	MGALSPDJAJLEKT-XMMPIXPASA-N	572.512	2.864	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O	222567182	DLHLQEKQJRAQGD-XMMPIXPASA-N	527.618	2.986	0	40	KFAB	
COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)NCCSc3nc(-c4ccccc4)n[nH]3)C2)c1	222568076	NDFQRZTUZMFYKL-GOSISDBHSA-N	531.660	2.798	0	40	KFAB	
CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C	222830514	JFNASPKAUKPSOP-HSZRJFAPSA-N	504.653	2.640	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	222855517	MBMFFNXXMLUJMI-AREMUKBSSA-N	569.680	2.865	0	40	KFAB	
CNS(=O)(=O)c1ccc(CCC(=O)N2C[C@H](C(=O)NCCc3ccccc3)Oc3ccccc32)cc1	222879003	AIQGELARRLPUQN-RUZDIDTESA-N	507.612	2.680	0	40	KFAB	
C[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	223119866	VMNGVCAQNBQIPY-LJQANCHMSA-N	506.644	2.813	0	40	KFAB	
COc1ccc(CNC(=O)[C@@H](Cc2ccccc2)N(Cc2ccc(OC)cc2)C(=O)CN(C)S(C)(=O)=O)cc1	223255830	MOYUZDSEECMHFS-HHHXNRCGSA-N	553.681	2.852	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1	224406381	SBFQXCOQVCLCSL-UHFFFAOYSA-N	549.715	2.986	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	225375027	RJWNGSGHVYAECZ-ROUUACIJSA-N	501.605	2.562	0	40	KFAB	
COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)C1	260734237	HAEVSUQOZOUOCW-INIZCTEOSA-N	530.068	2.947	0	40	KFAB	
COC(=O)CN1C(=O)N/C(=C/c2cc(I)c(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)C1=O	408549204	QTDKNGCXPRMUEZ-RQZCQDPDSA-N	579.347	2.691	0	40	KFAB	
COC(=O)c1cc(OC)c(OC)cc1NC(=O)C1CCN(S(=O)(=O)c2cc(C)ccc2OC)CC1	408596298	UCENJRZXUWHITD-UHFFFAOYSA-N	506.577	2.847	0	40	KFAB	
C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1	409393759	XOKZWYVYJLLEKE-CQSZACIVSA-N	500.404	2.733	0	40	KFAB	
CCOC(=O)C1=c2s/c(=C\c3ccc(Cl)cc3)c(=O)n2C(N)=C(C(=O)OC)[C@H]1c1ccc(Cl)cc1	2056687	JNGWZWAKNOEMAD-XUDLPTGHSA-N	531.417	2.857	0	40	KFAB	
CCCCOC(=O)C1=C(N)OC(C)=C(C(=O)OC(C)C)[C@]12C(=O)N(CC(=O)OCC)c1ccccc12	9360894	KHLBVALKNTUAJY-SANMLTNESA-N	500.548	2.604	0	40	KFAB	
Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1	10058962	MQHBNYSMLRRYCE-UHFFFAOYSA-N	517.585	2.929	0	40	KFAB	
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(Cl)cc3)CC2)N[C@@H]1c1ccc(OC)c(OC)c1	19817808	KOLXNHPLDLPEQV-FCHUYYIVSA-N	500.983	2.886	0	40	KFAB	
CCOC(=O)[C@H]1C(=O)N(CCCN2CCOCC2)c2nc3ccccc3n2[C@@H]1c1ccc(OC)c(O)c1	20802325	BLXZAYSQERECIK-DNQXCXABSA-N	508.575	2.588	0	40	KFAB	
O[C@@H](COc1ccc(OC[C@H](O)CN2CCN(CCOc3ccccc3)CC2)cc1)CN1CCN(CCOc2ccccc2)CC1	22790516	SHGYACKFBORAQV-ROJLCIKYSA-N	634.818	2.559	0	40	KFAB	
CC[C@H](C)[C@@H](NC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O	31413944	XOBRUPBUBNAFDI-FRYIKTPZSA-N	509.669	2.976	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)Cc2ccc(F)cc2)cc1	59837759	CTIUKENYYDTHDG-UHFFFAOYSA-N	575.684	2.662	0	40	KFAB	
CC[C@H](CCNC(=S)NC(=O)c1cccc(OC)c1OC)NC(=S)NC(=O)c1cccc(OC)c1OC	102928520	AHZXTUWXRWJHCZ-OAHLLOKOSA-N	548.687	2.799	0	40	KFAB	
CCCOc1ccccc1N1C(=O)C[C@@H](N2CCN([C@@H]3CC(=O)N(c4ccccc4OCCC)C3=O)CC2)C1=O	102988210	YZKKHRFYPZDYBA-DNQXCXABSA-N	548.640	2.846	0	40	KFAB	
CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	222487048	NHAQUGIRIZGRRF-JOCHJYFZSA-N	517.648	2.864	0	40	KFAB	
COc1ccccc1CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222703585	PNAZHANMSUHTCI-QHCPKHFHSA-N	581.691	2.829	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCC2)c1	224025292	DRLZSYGWUYRVAV-IBGZPJMESA-N	547.674	2.955	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)c3cc(Cl)ccc3O2)cc1	224246277	CXARUTFICJCXJI-XMMPIXPASA-N	580.084	2.742	0	40	KFAB	
CS(=O)(=O)NCC(=O)N1CCC(COc2cccc(Cl)c2)(CC(=O)N2CCc3ccccc3C2)CC1	257304964	SNXFKQSXPKLVDY-UHFFFAOYSA-N	534.078	2.852	0	40	KFAB	
COc1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)c(OC)c1	408683751	ITPSFPFSTNDSQN-DRYSZXNESA-N	506.555	2.828	0	40	KFAB	
CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1)c1ccccc1	408861831	DPNOOLRKIRATKP-UHFFFAOYSA-N	529.640	2.926	0	40	KFAB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	409151280	AWFGCWIIXKGAEH-HDBVRILRSA-N	653.713	2.902	0	40	KFAB	
COC(=O)c1cccc(C(=O)N2C[C@@H]3C[C@@H](O)CN3C3(CN(Cc4ccc(OC(F)(F)F)cc4)C3)C2)c1	514290318	XFVIGXZIWFCJEH-LEWJYISDSA-N	519.520	2.517	0	40	KFAB	biogenic,in-vitro
Cc1cc(C(F)F)n2nc(C(=O)N3CCO[C@@]4(CCCCc5ccccc5OCCNC4=O)C3)nc2n1	643588873	KLMXWQNNMBKMHL-VWLOTQADSA-N	514.533	2.503	0	40	KFAB	
COC(=O)C1=C(C)N=c2s/c(=C\c3c(F)cccc3Cl)c(=O)n2[C@H]1c1ccc(C(=O)OC)cc1	2532938	FZZSREYQDOPWJP-OLROSQPISA-N	500.935	2.987	0	40	KFAB	
COc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)c2ccc(NS(=O)(=O)c4ccc(OC)cc4)c(=O)n2C3)cc1	3841313	XXJNALKFPABMRN-PKOBYXMFSA-N	509.584	2.926	0	40	KFAB	biogenic,in-vitro
C[C@@H](C(=O)OCC(=O)Nc1ccccc1F)N1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccccc3F)cc2C1=O	6166184	VLXFLHMEYJYYBG-HNNXBMFYSA-N	565.485	2.927	0	40	KFAB	
Cc1cccc(C(=O)N[C@@H](C(=O)N2CCN(C(=O)c3ccccc3)CC2)S(=O)(=O)c2ccccc2)c1	9764183	HWRCUFVDZJSDBD-RUZDIDTESA-N	505.596	2.509	0	40	KFAB	
COc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)cc1OC	13138153	OMKPJPXZGIEZGJ-UHFFFAOYSA-N	503.621	2.645	0	40	KFAB	
COc1ccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(Cc4ccccc4)CC3)c(=O)[nH]c2c1	19940451	NEDSDMBTLQVZAQ-OZXSUGGESA-N	515.618	2.609	0	40	KFAB	
CCCOc1ccc(/C=C/C(=O)OCC(=O)N(C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1OCC	38140436	QMOQTUCLENUCIA-WYMLVPIESA-N	536.585	2.574	0	40	KFAB	
COc1ccccc1N1CCN(CC(=O)N2CCNC(=O)[C@H]2CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1	59780933	HCAIMUGZPNQTMZ-HHHXNRCGSA-N	557.651	2.965	0	40	KFAB	
CCOc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1	102253737	YKJIMZBEWPOENK-QHCPKHFHSA-N	547.578	2.582	0	40	KFAB	
O=C(NCCN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F	102778096	MINBWJJCFWPXNH-OGBKAESYSA-N	521.567	2.971	0	40	KFAB	
COCCOCCOCCOCCOCCOCCOCCOC(=O)Nc1ccc(C)c(NC(=O)OCCOCCOCCOCCOCCOCCOCCOC)c1	150384238	JOZRICCBPHWVGX-UHFFFAOYSA-N	854.985	2.584	0	40	KFAB	
CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@@H](C(=O)NCCO)c2ccccc2)cc1	223517540	VFSRLZLIAQVDME-MUUNZHRXSA-N	553.681	2.805	0	40	KFAB	
CCN(c1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1)S(=O)(=O)CC	224413906	MJVSSRHKZWJXRQ-UHFFFAOYSA-N	523.677	2.846	0	40	KFAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(=O)O)cc3)c(=O)n2[C@@H]1c1ccccc1OC	409120251	UVKWEQLJDHYRTD-JDCXBEBJSA-N	505.596	2.810	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCCC4)c(OC)c3)c(=O)n2[C@@H]1c1cccc(OC)c1	409154993	LCHVHOOWRWKYQJ-RBXKPUFLSA-N	591.686	2.817	0	40	KFAB	
C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N5C[C@H](O)C[C@@H]5C(=O)OC)CC[C@]4(C)[C@H]3CC[C@@]21C	8917698	KWFXBLQFMPZAOR-CPNWBUCJSA-N	512.647	2.821	0	40	KFAB	biogenic
COc1ccc(C(=O)[C@@H](OC(=O)CNC(=O)CNS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1	10041920	MYVUPDSHFSDZEI-SANMLTNESA-N	510.568	2.566	0	40	KFAB	
C[C@@H]1N[C@]2(C(=O)N(CC(=O)N3CCc4ccccc43)c3ccccc32)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12	15320685	MFHRRANWHRMBCO-IOJIPJGJSA-N	520.589	2.611	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OC)c3OC)c(=O)n2[C@H]1c1ccc(OC)cc1	16682425	JRBAAEIKDUXTLJ-FGGAIWKESA-N	524.595	2.833	0	40	KFAB	
NC(=O)c1nsc(C(=O)N(Cc2ccco2)[C@H](C(=O)NCc2ccc(F)cc2)c2ccc(O)cc2)c1N	38145727	STVWARKEULRNRM-NRFANRHFSA-N	523.546	2.962	0	40	KFAB	
O=C(COC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)N[C@H]1CCS(=O)(=O)C1	97979450	VMQOLPGQCNKOEO-CFGKVWFZSA-N	533.562	2.505	0	40	KFAB	
CCOc1cc([C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]2[C@H]2C[C@@H]3[C@H]3C(=O)N(CCCC(=O)O)C(=O)[C@H]23)ccc1O	101175663	ZFUKKOJNNQZJMT-IDRPFZHCSA-N	530.624	2.879	0	40	KFAB	
CCOc1ccc(-n2c(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)nnc2-c2ccccc2Cl)cc1	103103003	ZCOPWMCJMVROBK-UHFFFAOYSA-N	527.006	2.941	0	40	KFAB	
CC[C@H](C)n1c(SCC(=O)Nc2ccc(C(N)=O)cc2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1	103141355	WBAVWGZUGDEGOO-KRWDZBQOSA-N	558.686	2.767	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	223506316	TXRUIVRHDNTHKJ-IBGZPJMESA-N	522.643	2.781	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1	224319768	RWSZQXGMRQTHHR-UHFFFAOYSA-N	570.133	2.862	0	40	KFAB	
COc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCCOc3ccc(S(=O)(=O)N4CCCC4)cc3)Oc3cc(C)ccc32)cc1	260892447	YWCRTQUJCWBXBV-MUUNZHRXSA-N	615.730	2.940	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1	408703886	VCBUZKISIGWARO-UHFFFAOYSA-N	537.660	2.533	0	40	KFAB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCC(=O)OC)c(OCC)c4)c(=O)n32)cc1OCC	408945304	NXTNGQCHZMGIGQ-ORVZPOCUSA-N	596.658	2.766	0	40	KFAB	
CS(=O)(=O)N(CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1cc(Cl)cc(Cl)c1	409026236	JOINQNGTGDPQLX-UHFFFAOYSA-N	500.404	2.833	0	40	KFAB	
CC(=O)N[C@@H]1[C@H](Sc2nnc(COc3cccc(C)c3)n2-c2ccccc2)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	504461545	RMUTZVWIWLMGGQ-QDXQZTBOSA-N	626.688	2.903	0	40	KFAB	biogenic
COc1ccc(OC)c(S(=O)(=O)N(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@H]2NCc2ccccc2)c1	575423430	QCEFZJGVMCIVSX-DNQXCXABSA-N	530.668	2.850	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	708129	KZXLORUJJKHBRI-RWTNITNYSA-N	524.595	2.920	0	40	KFAB	
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C(N)=O)CC[C@H](C)C4)cc2)CC1	4177335	LNKFVEQHXYMJIB-HNNXBMFYSA-N	534.660	2.687	0	40	KFAB	
COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)N4CCN(c5ccc(C(C)=O)cc5)CC4)ccc3c2=O)cc1	4766466	GLUCZYGDWVVUME-UHFFFAOYSA-N	512.566	2.912	0	40	KFAB	
CCOC(=O)CN(C(=O)Cn1nnc(-c2ccc(OC)cc2)n1)[C@H](C(=O)NC1CCCCC1)c1ccco1	6546252	PFZQXJXTNLFBAJ-DEOSSOPVSA-N	524.578	2.524	0	40	KFAB	
COc1ccc(CN(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2cccs2)cc1	6973576	MEPROULLBDRXOO-OXQOHEQNSA-N	529.644	2.573	0	40	KFAB	
CCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)c2C(=O)OC)C1	11726312	YWNXNWPFTFWPRQ-HOTGVXAUSA-N	521.661	2.963	0	40	KFAB	
COc1ccccc1CNC(=O)COC(=O)c1cccnc1SCC(=O)NCc1ccccc1OC	12311794	FVPQHDUJMGOBLU-UHFFFAOYSA-N	509.584	2.981	0	40	KFAB	
Cc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2F)o1	12715057	BKPCITLETFWHLI-BFUOFWGJSA-N	501.540	2.548	0	40	KFAB	
O=C(NCCC1=CCCCC1)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	16491471	GRSIPFLLDINUSG-DEOSSOPVSA-N	517.673	2.757	0	40	KFAB	
Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc12	22871636	SPPGAKMUSNPNGK-SKCUWOTOSA-N	557.655	2.946	0	40	KFAB	
CCOC(=O)c1ccc(NC(=O)Cn2cnc3c(nnn3Cc3cccc(C(F)(F)F)c3)c2=O)cc1	40477141	DFNSJWGMJZHYCB-UHFFFAOYSA-N	500.437	2.871	0	40	KFAB	
CC(C)CCn1c(SCC(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)nc2ccccc2c1=O	103117897	AKRRITBIMWUSSG-UHFFFAOYSA-N	588.708	2.738	0	40	KFAB	
COc1cc([C@H]2c3cc4c(cc3[C@@H](O[C@H]3O[C@H]5CO[C@H](c6ccccc6)O[C@@H]5[C@@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC	150472763	SBPPWJIDARICBS-JJHSSWMHSA-N	664.660	2.994	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	223440461	TYWRKIQOUMUKJY-LJQANCHMSA-N	535.663	2.812	0	40	KFAB	
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)NCc1cccc(CN2CCOCC2)c1	224720646	XMPLUCGIBTVJHI-UHFFFAOYSA-N	555.628	2.941	0	40	KFAB	
CC(C)C[C@H]1C(=O)O[C@@H](C(C)C)C(=O)N[C@H](C(C)C)C(=O)N[C@H](CC(C)C)C(=O)O[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N1C	238741022	VDFMWZBFYMHHDB-ZPJGBUAPSA-N	638.847	2.821	0	40	KFAB	biogenic
COc1cc(/C=C2/NC(=O)NC2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1	409045059	XYRWCGRTBRZURA-OVCLIPMQSA-N	507.284	2.806	0	40	KFAB	
COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)ccc1OCC(=O)N1CCOCC1	409206712	WAHGVLYYZWUXQR-IWIPYMOSSA-N	551.621	2.554	0	40	KFAB	
CC(C)C[C@H]1NC(=O)CC[C@@H](C(=O)NCCOc2ccc(Cl)cc2)NC(=O)c2ccccc2OCCN(C)C1=O	643569422	UUQATMMKYGGVMJ-BJKOFHAPSA-N	573.090	2.796	0	40	KFAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCc2ccc3c(c2)OCCO3)CC(=O)N(Cc2ccccc2)CC1=O	643570780	REXLKVYRSYFPSP-MHZLTWQESA-N	614.699	2.575	0	40	KFAB	
Cc1ccc(OCCN(C)C(=O)[C@@H]2CC(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1	643578947	KMKUZHMSTTWMNE-NSOVKSMOSA-N	586.689	2.599	0	40	KFAB	
C[C@H](OC(=O)c1ccccc1NS(=O)(=O)c1cc(F)ccc1F)C(=O)Nc1ccc(S(N)(=O)=O)cc1	6143031	GPTIAENQEDJLQZ-ZDUSSCGKSA-N	539.538	2.597	0	40	KFAB	
CCOC(=O)CN1C(=O)[C@@]2(N[C@@H](Cc3ccccc3)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]32)c2ccccc21	14944160	SIHWJLLANVMQEL-ZCTJEENXSA-N	509.562	2.812	0	40	KFAB	
CN(C)S(=O)(=O)c1cccc(CSc2nc3ccccc3c(=O)n2CCCN2CCOCC2)c1	16044062	YPUDSHFANSJAAH-UHFFFAOYSA-N	502.662	2.661	0	40	KFAB	
O=C(NC[C@@H]1CCCO1)[C@H](c1ccccn1)N(Cc1ccccc1Cl)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	17414018	XHZCYPIIMFQLEK-FNZWTVRRSA-N	583.066	2.945	0	40	KFAB	
CCC(C)(C)n1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(C(=O)c2ccco2)CC1	20080828	ZNWQBMJANBFKBU-QFIPXVFZSA-N	519.562	2.529	0	40	KFAB	
Cc1ccc(CN2C[C@@H](C(=O)N(CC(C)C)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)CC2=O)cc1	32985905	ATUFORLPNGAAHV-QFIPXVFZSA-N	503.603	2.513	0	40	KFAB	
Cn1c(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c(O)c1CN1CCN(c2ccc(Cl)cc2)CC1	85880031	FBZJSHIDSGOJLG-RTWAWAEBSA-N	536.076	2.848	0	40	KFAB	biogenic
COCCNC(=O)CSc1nc2cc3c(cc2c(=O)n1CCCCCC(=O)NCc1ccc2c(c1)OCO2)OCO3	98009683	WHDQJPYVQJLXOQ-UHFFFAOYSA-N	584.651	2.585	0	40	KFAB	
CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	222624369	OESHERFFIBLHDS-NRFANRHFSA-N	523.627	2.941	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	222652278	XEFCJFKNRGZHTI-AWEZNQCLSA-N	532.446	2.940	0	40	KFAB	
CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	222916967	VTBUESFNKKVQNP-QFIPXVFZSA-N	519.664	2.844	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C)c1	224433062	KUPWNFDBVQSQKT-IBGZPJMESA-N	505.637	2.659	0	40	KFAB	
CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	224692890	ZMUMGYYGWMDDGJ-FQEVSTJZSA-N	517.648	2.866	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O	225465641	OBPNAONDTQJIIB-OAHLLOKOSA-N	522.421	2.537	0	40	KFAB	
COc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)c(OC)c1	225523320	XMYDIAFVLHLUQC-IBGZPJMESA-N	505.637	2.720	0	40	KFAB	
COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@H](C(=O)NCCCOC(C)C)c2ccccc2)cc1	260722790	SUZZTYIKKZKTNQ-VWLOTQADSA-N	519.664	2.588	0	40	KFAB	
COc1ccc(S(=O)(=O)N2C[C@H](C(=O)NC[C@@H]3COc4ccccc4O3)Oc3ccc(C)cc32)cc1	260895092	GULQAUJXZHUMIW-KBMIEXCESA-N	510.568	2.916	0	40	KFAB	
COC(=O)CN1C(=O)N/C(=C/c2cc(I)c(OCc3ccccc3)c(OC)c2)C1=O	408549297	SDSVUUMCJDIJSN-CXUHLZMHSA-N	522.295	2.945	0	40	KFAB	
CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)CCC(=O)N[C@@H](Cc2ccc(O)cc2)C1=O	643568427	BNNJQRBWGSHKJC-KYJUHHDHSA-N	660.743	2.853	0	40	KFAB	
COC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C)c4ccccc43)c(=O)n2[C@@H]1c1ccc(OC(=O)c2ccco2)cc1	1809212	PUWJMKNYVGZTEJ-UGUGFTGJSA-N	555.568	2.567	0	40	KFAB	
CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1	2654860	QJODLCAYJVKCIS-UHFFFAOYSA-N	514.526	2.760	0	40	KFAB	
CCC[C@@H](C(=O)NCCC(C)C)N(CCCOCC)C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1	6501141	WZZDZQSNRJFUGN-NRFANRHFSA-N	518.659	2.944	0	40	KFAB	
CCCCCN(C(=O)CCC(=O)O[C@@H](C)C(=O)N(C)c1ccccc1)c1c(N)n(CCCC)c(=O)[nH]c1=O	12972213	OGVJWXCUNYQZJI-IBGZPJMESA-N	529.638	2.817	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)O)cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1	13154453	XSQDEOJNULNBPG-GSERBOKHSA-N	512.971	2.915	0	40	KFAB	
COc1ccc(CCN(C(=O)/C=C/C(=O)O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)cc1	18115684	QYWDUJSTZZVDAU-VYENPZKTSA-N	501.333	2.802	0	40	KFAB	
COc1ccc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4ccccc4)CC3)c(=O)[nH]c2c1	19940433	QXIUAXDRVBNRSA-RDGATRHJSA-N	501.591	2.614	0	40	KFAB	
COc1cc2c(c(OC)c1OC)-c1cc/c(=N\CCCN3CCN(C)CC3)c(O)cc1[C@H](NC(C)=O)CC2	22802733	TYYMEJIXYRBGGO-HSZRJFAPSA-N	524.662	2.747	0	40	KFAB	biogenic
COCCNC(=O)[C@@H](c1ccco1)N(C(=O)CNS(=O)(=O)c1ccc(C)cc1)c1cnc2ccccc2c1	100410298	QNJFWRLALHVBNH-AREMUKBSSA-N	536.610	2.952	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	222486993	HTPLNAXPUKJJLL-AVRDEDQJSA-N	515.632	2.952	0	40	KFAB	
CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223161360	ZTCUOGKHERFVNG-NRFANRHFSA-N	517.648	2.946	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	223440312	IWLXZLDAILYWEL-LJQANCHMSA-N	535.663	2.812	0	40	KFAB	
COC(=O)c1cc(NC(=S)N2CCN(Cc3cc(OC)c(OC)c(OC)c3)CC2)cc(C(=O)OC)c1	225224274	XNQCYJTZFCGODP-UHFFFAOYSA-N	517.604	2.800	0	40	KFAB	
COC(=O)[C@@H]1CN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)c2ccccc2O1	260734199	GSGSNVDPHNQJHD-YWZLYKJASA-N	523.405	2.817	0	40	KFAB	
COc1cc(OC)cc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3cc(C)c(Br)cc3C)CC2=O)c1	408655791	MFOIYMGAQHTYDF-MRXNPFEDSA-N	548.390	2.758	0	40	KFAB	
COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(I)c1O	409103387	WHGRDIIOJRMCIQ-OVCLIPMQSA-N	507.284	2.845	0	40	KFAB	
COc1ccc(CCNS(=O)(=O)c2ccc(OCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2)cc1OC	409207410	UMFYZFWOGAUFAB-UHFFFAOYSA-N	597.690	2.677	0	40	KFAB	
CC[C@@]1(C)[C@H]2[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@H]3[C@@H](C[C@@H](O)[C@@H]4[C@H](/C(C)=C\CC=C(C)C)CC[C@@]34C)[C@]2(C)CC[C@H]1O	2060999660	YCTQSBSHNMQDKH-ZASSLQMWSA-N	767.010	2.953	0	40	KFAB	
O=C(c1ccco1)N1CCN([C@H](c2cc3cc4c(cc3[nH]c2=O)OCO4)c2nnnn2C2CCCCC2)CC1	6445845	OTRSYEDXLKEVKO-XMMPIXPASA-N	531.573	2.889	0	40	KFAB	
CN(Cc1ccccc1)Cc1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)NCc2ccc3c(c2)OCO3)nn1	8299155	IUPDEMUTSBFDTR-CAOCKLPOSA-N	502.619	2.666	0	40	KFAB	biogenic,in-vitro
Cc1c(NC(=O)CN2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)c(=O)n(-c2ccccc2)n1C	13114543	ZNRJHQANBNHEBD-UHFFFAOYSA-N	511.648	2.553	0	40	KFAB	
COCCN(CC(=O)Nc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)cc1	13496943	GRJOQYJANYNCFS-CVDCTZTESA-N	523.677	2.819	0	40	KFAB	
COc1ccc(C[C@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3cccc4ccccc34)CC2)cc1	13565652	VNUDDLBBZTVALF-VWLOTQADSA-N	509.628	2.865	0	40	KFAB	
NC(=O)CC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@H]12	16010288	RCYUEQQSQCSCIV-XCLQVSSVSA-N	506.868	2.549	0	40	KFAB	
COc1cccc([C@H](C(=O)NC[C@H]2CCCO2)N(CCc2ccc(OC)c(OC)c2)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1	150387345	QGTCUPKHOAXFSR-OOWIMERYSA-N	651.738	2.965	0	40	KFAB	
CCOCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222780276	BEIXDJVYDZQLLI-NRFANRHFSA-N	582.119	2.700	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)c2ccccc2)cc1	224212372	RIRZJQIKHAUBCS-UHFFFAOYSA-N	561.682	2.726	0	40	KFAB	
COc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)c(OC)c1	225502980	XNLUEDUEYWFSOP-IBGZPJMESA-N	505.637	2.720	0	40	KFAB	
CNS(=O)(=O)c1ccc(C)c(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)c1	226010414	TVPCSBPMKBJJFI-UHFFFAOYSA-N	531.656	2.784	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)[C@H](C)C(=O)NC(C)(C)C)c1	260741783	BHDOVKMQGMXDOB-GOSISDBHSA-N	522.643	2.779	0	40	KFAB	
CCOC(=O)N1CCN(C(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)CC1	409171773	GSKPWODLLTUXBC-UHFFFAOYSA-N	557.410	2.787	0	40	KFAB	
CCCN1C[C@H](C)[C@H](O)[C@](C)(O)[C@H](CC)OC(=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]1C	504567004	VWAMTBXLZPEDQO-YCAMODEHSA-N	777.050	2.681	0	40	KFAB	biogenic
COCC(=O)N1C[C@H](CC(C)C)N(C(=O)c2c(Cl)cccc2Cl)CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)C1	643551606	ZIYWDULQYBXNKA-CRJVXGLXSA-N	563.519	2.873	0	40	KFAB	
CC(C)C[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N12)C(=O)N[C@H](C)C(=O)O	8790316	RZKVDWKVDCRWKM-XBZMYCLCSA-N	502.571	2.758	0	40	KFAB	biogenic
CC1CCN(C(=O)COC(=O)c2cccc(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)c2)CC1	16035691	XYEULMBFFRCSEZ-UHFFFAOYSA-N	503.596	2.752	0	40	KFAB	
CCCCn1c(N)c(N(CC(C)C)C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)c(=O)[nH]c1=O	24765525	WLVLCMLCNJUMIA-UHFFFAOYSA-N	533.695	2.626	0	40	KFAB	
COc1ccc2cc([C@@]3(C)NC(=O)N(CC(=O)N4CCN(C(=O)c5cccs5)CC4)C3=O)ccc2c1	32722817	VWCZRZMNIUBAOQ-AREMUKBSSA-N	506.584	2.662	0	40	KFAB	
Cc1noc(C)c1S(=O)(=O)N1CCN(Cc2cc(=O)n3nc(-c4ccc(Cl)cc4)sc3n2)CC1	41077510	MGTKMHYIETYACE-UHFFFAOYSA-N	521.024	2.583	0	40	KFAB	
CC(=O)O[C@H]1C[C@]2(O)C(COC(=O)[C@@H](OC(=O)CC(C)C)C(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]1(O)COC(=O)CC(C)C	96903078	ZWCCPUWSKJGJNH-DCXHWYJOSA-N	642.739	2.976	0	40	KFAB	biogenic
C[C@@H]1N[C@]2(C(=O)N(CC(=O)N3CCc4ccccc43)c3ccccc32)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12	100164654	MWJXSRGNDPKFQC-LUODTHDFSA-N	506.562	2.615	0	40	KFAB	
COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2-c2nnn(CC(=O)Nc3ccc(OC)cc3)n2)cc1	100365991	YTTQLTZZGYZQRI-UHFFFAOYSA-N	522.543	2.575	0	40	KFAB	
Cn1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)n1	102920954	SATJKONQGKCXML-UHFFFAOYSA-N	547.056	2.686	0	40	KFAB	
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN([C@H]4CC(=O)N(c5cccc(C(C)=O)c5)C4=O)CC3)cc21	102923411	HCUGOGIOMAHBHP-DEOSSOPVSA-N	534.544	2.515	0	40	KFAB	
CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	223167463	FCSBHKBUTNGBGD-IBGZPJMESA-N	512.028	2.677	0	40	KFAB	
C[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	224446956	HEFRYHVMSANMAL-JOCHJYFZSA-N	603.719	2.850	0	40	KFAB	
CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	224752144	XJAAWNFLUKZZBR-DEOSSOPVSA-N	519.623	2.996	0	40	KFAB	
COC(=O)CSc1nnc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)cc2)s1	225576754	FHSYUWNSGRMUTQ-UHFFFAOYSA-N	522.630	2.954	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O	260996990	RAHRBVPLBBVQTC-OALUTQOASA-N	505.637	2.802	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\[C@@H]3C(=O)N(c4ccccc4)N=C3C)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409039405	WLXLWKIHQPUUAX-WEEWCXAYSA-N	632.695	2.739	0	40	KFAB	
CC[C@H](C)OCCOCCOC(=O)[C@H](C)OC(=O)OCCOCCOC(=O)O[C@@H](C)C(=O)OCCOCCO[C@@H](C)CC	4353213	XJGWOYZOZDTHEY-ZJZGAYNASA-N	626.693	2.836	0	40	KFAB	
NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2cccc(NS(=O)(=O)/C=C/c3ccccc3)c2)cc1	6144250	MARQPAHAVLUAGA-BUHFOSPRSA-N	515.569	2.542	0	40	KFAB	
CCOC(=O)c1ccc(S(=O)(=O)N(Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)C[C@@H]2CCCO2)cc1	6195177	SXKQQIMJDSKDDX-FQEVSTJZSA-N	528.583	2.846	0	40	KFAB	
COc1cc(OC)c(NS(=O)(=O)c2cccc(C(=O)OCC(=O)NC[C@H]3CCCO3)c2)cc1Cl	12599517	GMFLEMKYMORRBK-OAHLLOKOSA-N	512.968	2.610	0	40	KFAB	
CCn1c(CN(c2ccc(F)cc2)S(C)(=O)=O)nnc1SCC(=O)Nc1ccc2c(c1)OCO2	20193966	LJCMXWNAGKBSCA-UHFFFAOYSA-N	507.569	2.863	0	40	KFAB	
CC(C)CNC(=O)c1ccc2c(=O)n(C(C)C)c3nn(Cc4ccc(N5CCCC5=O)cc4)c(=O)n3c2c1	64588495	WEYGMIGNJGKGGJ-UHFFFAOYSA-N	516.602	2.953	0	40	KFAB	
COc1ccc(/C=C/C(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1S(=O)(=O)N1CCOCC1	97980134	JEZUEZVJTKDREL-ZRDIBKRKSA-N	563.698	2.933	0	40	KFAB	
O=S(=O)(NCc1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1	100338255	XQVJYCHFDROYRS-UHFFFAOYSA-N	533.603	2.544	0	40	KFAB	
CCOC(=O)c1nn(-c2ccc(C)cc2)c(C)c1C(=O)C1=NO[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]12	100354673	FVVAQUCXNHYOMY-GBXCKJPGSA-N	516.510	2.802	0	40	KFAB	
CCOC(=O)Cn1/c(=N/C(=O)c2cc(OCC)c(OCC)c(OCC)c2)sc2cc(S(N)(=O)=O)ccc21	100877678	PXEROOCJFFVGFS-LCUIJRPUSA-N	551.643	2.851	0	40	KFAB	
CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	222928700	ZACYXYIWKCBXOL-JOCHJYFZSA-N	517.648	2.598	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1	224210464	QSGMNJCBZKYNAS-UHFFFAOYSA-N	547.655	2.690	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OCC)cc1)S(C)(=O)=O	224989113	RLHGIWLYIPMRGJ-LJQANCHMSA-N	505.637	2.803	0	40	KFAB	
CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1	226052850	QIUPTWWSHBXDSO-UHFFFAOYSA-N	521.705	2.839	0	40	KFAB	
O=C([C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	408714977	ZXVLGYJCUAXIAR-HHHXNRCGSA-N	535.622	2.857	0	40	KFAB	
CCOc1c(OC)cccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(C(=O)OC)cc3)c(=O)n21	409010612	CRZIDTOHMMFEBZ-GOOXQAOHSA-N	566.632	2.619	0	40	KFAB	
CCOc1c(OC)cccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc4c(c3)OCO4)c(=O)n21	409020075	YZKVOSQIMCWHRT-XPCGLTFESA-N	552.605	2.561	0	40	KFAB	
O=C(O)COc1c(Br)cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc1I	409137711	YLSAMISOZHHMFM-YCRREMRBSA-N	542.101	2.638	0	40	KFAB	
CCCCCn1c(S[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2NC(C)=O)nnc1-c1ccccc1	504796636	JESOEUQUEIIHTN-XCVFGXLCSA-N	576.672	2.884	0	40	KFAB	biogenic
CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)s1	1738619	PVMQAGMVWWCCAY-UHFFFAOYSA-N	521.646	2.938	0	40	KFAB	
COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC(C)(C)C)c2ccc(O)c(OC)c2)cc1	6074422	CIZKFIMKYSHOJW-HXUWFJFHSA-N	527.603	2.850	0	40	KFAB	
COc1ccc(N(CC(=O)NC2CCCCC2)C(=O)Cn2nnc(-c3ccc(OC)c(OC)c3)n2)cc1	6973655	UMJITMXTIWTXRH-UHFFFAOYSA-N	508.579	2.848	0	40	KFAB	
CCOC(=O)[C@H]1C(c2ccccc2Cl)[C@H](C(=O)OCC)[C@@](O)(C(F)(F)F)N[C@@]1(O)C(F)(F)F	16682664	YZHONTVWWQWASA-HJUPKNEGSA-N	507.811	2.887	0	40	KFAB	
COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)ccc1N1CCOCC1	38145209	REVTWROJVJWDRF-UHFFFAOYSA-N	574.681	2.835	0	40	KFAB	
CCCNC(=O)CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(C(=O)OCC)cc2)c1=O	45896479	ZQUQKTURYMNWJP-UHFFFAOYSA-N	508.575	2.675	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C2CCCCC2)cc1	59837407	CPHIICUJKWNJKN-UHFFFAOYSA-N	549.715	2.656	0	40	KFAB	
CCOC(=O)C1CCN(C(=O)CSc2nnc(-c3cccc(S(=O)(=O)N(CC)CC)c3)o2)CC1	62564032	MGBFDDXSLDUFLT-UHFFFAOYSA-N	510.638	2.661	0	40	KFAB	
CCOC(=O)C1=C(C)C2[C@@H]3C(=O)N(c4ccc(C(=O)O)cc4)C(=O)[C@@H]3C1(C)[C@H]1C(=O)N(c3ccc(C(=O)O)cc3)C(=O)[C@H]21	68581383	JMXRYIGHKWRUFH-MCHGBRLSSA-N	586.553	2.524	0	40	KFAB	
COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@@H](CC(N)=O)C(=O)O)C(=O)N32)c1	70707552	WRZKQFQEXDILRL-WFIHMLKPSA-N	581.585	2.718	0	40	KFAB	biogenic
COc1cc([C@H](Nc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)C(=O)NC[C@@H]2CCCO2)cc(OC)c1OC	100353825	LAZTWJYUGPHMKS-WATLYSKOSA-N	563.673	2.618	0	40	KFAB	
COC(=O)C1=C(C(=O)OC)[C@@H]2O[C@@H]1C(COC(=O)NC1CCCCC1)=C2COC(=O)NC1CCCCC1	104204750	GEQBPOXOLBBJQT-FGZHOGPDSA-N	520.579	2.824	0	40	KFAB	
COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)CC1	222595356	VGIFETPNKIUCOE-UHFFFAOYSA-N	530.068	2.947	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C	222867250	PXRGEAUUZVXIOU-AREMUKBSSA-N	538.670	2.694	0	40	KFAB	
COc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)cc1OC	224087672	QJFZFCKBJXAWHJ-IBGZPJMESA-N	505.637	2.659	0	40	KFAB	
CO[C@H]1[C@@H](O)C[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]1C	253981629	IYJMSDVSVHDVGT-JHAWEWHWSA-N	794.976	2.872	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(C(=O)OC)cc(C(=O)OC)c3)C2)cc1	408584020	LEVLWSTZAUDYTN-MRXNPFEDSA-N	504.561	2.698	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccc(Cl)cc43)c(=O)n2[C@@H]1c1ccc(OC)cc1	409112393	GELDPRVBAZTCEK-GOBJLOIFSA-N	509.971	2.783	0	40	KFAB	
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](CCSC)C(=O)NC[C@H]3CCS(=O)(=O)C3)c(=O)cc1[C@@H](NC(C)=O)CC2	1565538603	YMMYBIRAEFLUQG-HFRGRHLUSA-N	647.816	2.948	0	40	KFAB	biogenic
COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(F)cc2)cc1	7059008	GTGPROFXKUSQGC-RXVVDRJESA-N	527.578	2.655	0	40	KFAB	
CCCC(=O)N1CCN(C(=O)[C@H](NC(=O)c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)CC1	9764238	ULTSUVBPGFKTPF-HSZRJFAPSA-N	506.024	2.649	0	40	KFAB	
COc1ccc(N(C[C@H](O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)S(C)(=O)=O)cc1	26920521	FDBUVUAETSBUOW-FQEVSTJZSA-N	520.629	2.726	0	40	KFAB	
O=C(CSCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1	96021774	HEGLMCIPIDGHOF-UHFFFAOYSA-N	566.727	2.566	0	40	KFAB	
CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C3/C(=O)N(C)c4ccccc43)c2=O)=N1	409122347	YFVKDZFOUPWWSY-UVDRRRQGSA-N	547.633	2.942	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3/C(=O)N(C(C)C)c4ccccc43)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	409150067	ZLLODXVFPCCGMJ-SBXHHDGASA-N	547.633	2.941	0	40	KFAB	
CCc1nccn1CCOc1ccc(CN2CCN(C(=O)COC)C[C@](O)(COc3ccc(F)c(F)c3)C2)cc1OC	585274827	OXMGMAXUXAFGGY-PMERELPUSA-N	588.652	2.912	0	40	KFAB	
CC(C)COc1ccc(C(=O)N2CCC3(CC2)CNC(=O)COc2ccccc2C[C@H](O)[C@H](O)C3)cc1	643566836	XRTRYOGIAHSLRB-LOSJGSFVSA-N	510.631	2.807	0	40	KFAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N(C)CCOc2ccccc2)CC(=O)N[C@@H](Cc2ccccc2)C1=O	643579180	SRVJSRXGTHPECC-NSOVKSMOSA-N	586.689	2.681	0	40	KFAB	
COc1ccccc1OCCN(C)C(=O)[C@@H]1CCC(=O)N[C@H](Cc2ccccc2)C(=O)N(C)CCOc2ccccc2C(=O)N1	643580858	WWBVVUXTBLGLIM-RRPNLBNLSA-N	616.715	2.690	0	40	KFAB	
O=C(OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(=O)[nH]c32)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1	4887496	GNPXLAQWIFFOOV-GJGGBTFWSA-N	596.552	2.619	0	40	KFAB	
CC(C)C[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12)C(=O)N[C@@H](C)C(=O)O	8790246	RZKVDWKVDCRWKM-BLVZXNIKSA-N	502.571	2.758	0	40	KFAB	biogenic
COc1ccc(CNC(=O)CN2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1OC	12539986	ZVYHSHWAHVXINY-UHFFFAOYSA-N	502.420	2.633	0	40	KFAB	
CCOc1cc(C(=O)OCC(=O)c2cc(C)n(C[C@@H]3CCCO3)c2C)ccc1OCC(=O)N1CCOCC1	13144133	JVTGAIVJLYJHAS-QFIPXVFZSA-N	528.602	2.960	0	40	KFAB	
Cc1ccc2c(CC(=O)OCC(=O)N(CC(C)C)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)coc2c1	24773098	IJDXDKGEZKHTMU-UHFFFAOYSA-N	518.570	2.997	0	40	KFAB	
COc1ccc(-c2nn3c(=O)cc(CN4CCN(S(=O)(=O)c5ccc(C)cc5)CC4)nc3s2)cc1	34871844	VXPGLAKIKQPRQH-UHFFFAOYSA-N	511.629	2.642	0	40	KFAB	
CCOC(=O)[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N(C)c3c(C)n(C)n(-c4ccccc4)c3=O)c2)C1	38139396	ZGBBKLKHUWZBMQ-OAQYLSRUSA-N	540.642	2.725	0	40	KFAB	
COC(=O)Cn1c(=O)c(C(=O)COC(=O)CCCOc2ccc(Cl)cc2Cl)c(N)n(Cc2ccccc2)c1=O	103073852	CCEMHLZMZNLVOK-UHFFFAOYSA-N	578.405	2.705	0	40	KFAB	
O=C(NCCSCc1ccccc1)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	105584925	MESCNISKJHUBMS-VWLOTQADSA-N	559.735	2.800	0	40	KFAB	
CC(C)CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222858048	ROUZDEOAEMRPKP-NRFANRHFSA-N	549.665	2.805	0	40	KFAB	
CO[C@H](/C=C/CC/C=C/C(=O)O)[C@H](O)[C@H](C)[C@H](O)/C(C)=C/[C@@H](C)C(=O)CCC[C@H](CC(N)=O)CC(=O)O	253393530	IZBWUVKNXOGJSA-PIGLKETNSA-N	525.639	2.625	0	40	KFAB	biogenic,in-vitro
COc1ccc(CN2CCO[C@](COc3ccc(Cl)cc3)(CC(=O)N3CCN(C)CC3)C2)cc1O	257201013	AFUUFEJGWLCDID-AREMUKBSSA-N	504.027	2.868	0	40	KFAB	
COc1ccc(CN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)[C@H](C)C(=O)NCc2ccncc2)cc1	260714229	BSDJQGWGLGPRDF-OAQYLSRUSA-N	524.643	2.586	0	40	KFAB	
Cc1ccc(C)c(N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)C)S(=O)(=O)N(C)C)c1	260771642	WTNYUZLRKGOUBG-JOCHJYFZSA-N	502.681	2.901	0	40	KFAB	
O=C(CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	408695449	VERAEIVJMFFXKB-UHFFFAOYSA-N	531.587	2.661	0	40	KFAB	
COc1c(I)cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1I	409144727	PPKHDNIZQOFHJV-MDWZMJQESA-N	614.199	2.800	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCCC4)c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1	409157160	UKTLDPOIGFAGJI-UNRSNATKSA-N	651.738	2.834	0	40	KFAB	
CC(=O)O[C@H]1[C@H](OC(=O)c2ccc(C)cc2)[C@H](COC(=O)c2ccc(C)cc2)O[C@H]1n1cc(I)c(=O)[nH]c1=O	5223310	NRUPRHFQGBCWJJ-HYVLGVRCSA-N	648.406	2.670	0	40	KFAB	biogenic,in-vitro
CCOC(=O)CNC(=O)[C@H](c1cccs1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(C)ccc1C	6547173	NAASFWIROVGVDO-IBGZPJMESA-N	515.617	2.570	0	40	KFAB	
O=C(CCc1nnc2n(Cc3ccccc3Cl)c(=O)c3ccccc3n12)NCCCN1CCOCC1	20378259	WTVWZLWBSJTXCA-UHFFFAOYSA-N	509.010	2.517	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)Cc2ccccc2)cc1	59837393	DVTBHECOOJFRKW-UHFFFAOYSA-N	557.694	2.523	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)Cc2ccccc2F)cc1	59837709	KCUJCAUJCOGALP-UHFFFAOYSA-N	533.647	2.892	0	40	KFAB	
COc1ccc(NC(=O)[C@H]2NN(c3nc4ccccc4s3)C(=O)c3c2cc(=O)n(N2CCOCC2)c3C)c(OC)c1	100431134	ZDBMYWGPLYKNPP-VWLOTQADSA-N	576.635	2.597	0	40	KFAB	
CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@H](C)C(=O)NCCCOCC)cc1	222948323	RCUACPCYLJBBSY-OAQYLSRUSA-N	533.691	2.886	0	40	KFAB	
COc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)cc1OC	225682455	IIDNZMZQHPEXFZ-SFHVURJKSA-N	523.627	2.798	0	40	KFAB	
Cn1c(=O)c2ccc(C3CCN(C(=O)[C@@H](N)Cc4ccc(F)cc4)CC3)nc2n(Cc2ccccc2)c1=O	257282338	OTJBLGXFJBXQOQ-DEOSSOPVSA-N	515.589	2.559	0	40	KFAB	
O=C(COc1ccc(N2C[C@@H](C(=O)NCCCN3CCOCC3)CC2=O)cc1)Nc1cccc(Cl)c1	408578313	KSENDFRXBUSUEX-IBGZPJMESA-N	515.010	2.549	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccc(Cl)cc43)c(=O)n2[C@H]1c1cccc(OC)c1	409115669	SSELTDBIBOJJKY-LCPUNJGISA-N	509.971	2.783	0	40	KFAB	
COc1ccc(CN2CCC(N=c3nc[nH]c4sc(C(=O)N5CCOCC5)c(C)c34)CC2)cc1Cn1cncn1	585294765	JTPKHMBQBMHDAO-UHFFFAOYSA-N	562.700	2.619	0	40	KFAB	
C[C@@H]1NC(=O)CC(C)(C)NC(=O)CC[C@@H](C(=O)NCc2ccc(CN3CCOCC3)cc2)NC(=O)c2ccccc2OC[C@H](Cc2ccccc2)N(C)C1=O	643578146	NKCRMTSVEMOWJJ-YDACMNAQSA-N	754.929	2.966	0	40	KFAB	
COc1ccc(CNC(=O)CN2CC[C@@H]3NC(=O)[C@@H](Cc4ccccc4)NC(=O)C4(CC=CC[C@@H]3C2)CCOCC4)cc1	1615122688	ADJGMWHYPZLIKY-CCNCKIRNSA-N	588.749	2.992	0	40	KFAB	
CC(C)(C)NC(=O)CN(C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1ccc(F)c(Cl)c1	6074317	IBBMLVPGXXRICI-DHUJRADRSA-N	525.986	2.843	0	40	KFAB	
Cc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2F)o1	12715046	BKPCITLETFWHLI-ORAYPTAESA-N	501.540	2.548	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O	12905133	JTKRPRQJOKSQLQ-RUZDIDTESA-N	514.604	2.666	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3nn(Cc4ccccc4)c(=O)c4ccccc34)CC2)cc1	15980362	ZPWZPFPZLBENAC-UHFFFAOYSA-N	502.596	2.900	0	40	KFAB	
O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	20031693	VTKDDNCGIGSERQ-UHFFFAOYSA-N	526.080	2.842	0	40	KFAB	
O=C([C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	20493046	DIXNDZACSQNRAQ-DEOSSOPVSA-N	513.660	2.734	0	40	KFAB	
COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)c1	38144966	IASZNDLFCYJBJD-GHTZIAJQSA-N	527.578	2.655	0	40	KFAB	
CSc1nnc(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1-c1cccc(C(F)(F)F)c1	97961656	KAZPQSIYVLNPTA-UHFFFAOYSA-N	541.577	2.959	0	40	KFAB	
CC(C)c1nnc(NC(=O)CSc2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)s2)s1	97961699	RMUUEHHBGVXFBI-UHFFFAOYSA-N	569.716	2.517	0	40	KFAB	
CCC(C)(C)NC(=O)[C@H](c1ccc(OC)c(OC)c1)N(CCN1CCOCC1)C(=O)Cn1nnc2ccccc21	100356004	VKCGCSRYCYYCDU-MHZLTWQESA-N	552.676	2.655	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O	223058732	BVUCJNJASLVKFL-INIZCTEOSA-N	526.453	2.777	0	40	KFAB	
COc1ccc(NC(=O)CN(Cc2ccc(C)cc2)S(C)(=O)=O)cc1S(=O)(=O)N1CCCCC1	223750360	YSONDFRXZGUKLL-UHFFFAOYSA-N	509.650	2.579	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	225359124	VHAFBGREODAUFA-RBUKOAKNSA-N	535.663	2.810	0	40	KFAB	
COC(=O)[C@]1(CCSC)N[C@H](c2ccc(OC)cc2OC)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21	229918012	WVBQHKKDSUDZBV-QTDDQOEGSA-N	502.564	2.958	0	40	KFAB	
CCOc1cc(/C=C2/C(=O)N(c3ccc(OC)cc3)C(=S)N2CC(=O)OC)ccc1OCC(=O)OC	409060721	UKJHPQOBOXVWIL-UNOMPAQXSA-N	514.556	2.793	0	40	KFAB	
CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C3/C(=O)N(C)c4ccccc43)c2=O)=N1	409122348	YFVKDZFOUPWWSY-ZZIWUOEGSA-N	547.633	2.942	0	40	KFAB	
O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4cc(-c5ccccc5)ccc41)CC[C@@H]3O)N(CC1CC1)C2	514287663	WSCZTPWZSNCFQF-WKRKAGLOSA-N	519.642	2.744	0	40	KFAB	
O=C1C[C@@H](C(=O)NCCOc2ccc(Cl)cc2)NC(=O)c2ccccc2OC[C@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)N1	643566643	WAPIEKXZEXUAPU-UIUQJESISA-N	635.117	2.840	0	40	KFAB	
COc1cccc(CCNC(=O)[C@@H]2CC(=O)NC3(CCCCC3)C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCCOc3ccccc3C(=O)N2)c1	643576625	XJRSNYYHIRABTN-ACHIHNKUSA-N	697.833	2.988	0	40	KFAB	
CC(=O)N[C@@H]1CC(=O)[C@]23C(=O)N[C@H](Cc4c[nH]c5ccccc45)[C@@H]2C(C)=C(C)[C@H](O)[C@@H]3C=CC[C@H](C)C=C(C)[C@H](O)[C@@H]1O	958322866	FOADMCJCIRJHTO-CMPZQFPZSA-N	589.733	2.867	0	40	KFAB	
CCOC(=O)COc1c(Br)cc(/C=C2/SC(=O)N(CC(=O)OCC)C2=O)cc1OC	8383975	KMYCDFCOMZYDQP-RIYZIHGNSA-N	502.339	2.999	0	40	KFAB	
O=C(OCc1nnc(-c2cccs2)o1)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1	12569686	HHIXFDKFUXKZAU-UHFFFAOYSA-N	514.379	2.939	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(S(=O)(=O)N4CCCCC4)ccc3C)CC2)cc1	13646188	YETLXVJIWGCNKL-UHFFFAOYSA-N	505.662	2.625	0	40	KFAB	
COc1ccccc1N1CCN(C(=O)CSc2nnc3c(=O)n(Cc4ccc(F)cc4)ccn23)CC1	49421438	IMHPUTQBJUYHSS-UHFFFAOYSA-N	508.579	2.528	0	40	KFAB	
O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1)Nc1ccc(Oc2ccccc2)cc1	101264765	REDITJJYTODDJY-HHHXNRCGSA-N	585.661	2.681	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	222469157	XXCYJZAZUTZHGN-PGRDOPGGSA-N	533.647	2.912	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)[C@@H](C)C(=O)NC2CCCC2)c1	224031746	XKJVBMXGJBBGLF-FQEVSTJZSA-N	516.664	2.784	0	40	KFAB	
CS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(Cl)cc1Cl	224297221	IMWUUZJMBCLKTM-UHFFFAOYSA-N	550.486	2.739	0	40	KFAB	
COCCO[C@H]1[C@@H](n2ccc(=O)[nH]c2=O)O[C@H](COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)[C@H]1O	230402823	YVYKKLNOXPCFGC-RJIGRWNCSA-N	604.656	2.852	0	40	KFAB	
CCC(CC)C(=O)N1CC(=O)N2CC[C@@H](CC(=O)N3CCN(C=O)CC3)[C@@H](/C=C\COc3ccccc3C1)C2	253403645	QGWIYUDGMUFVOO-DBFYEMIUSA-N	538.689	2.555	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(I)cc1	408701642	BKOJQUOTOICANL-UHFFFAOYSA-N	502.330	2.573	0	40	KFAB	
C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O	408704953	WCEWQPIFGRVSCU-SFHVURJKSA-N	537.660	2.816	0	40	KFAB	
Cc1ccc(OCCNC(=O)[C@@H]2CCC(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1	643580940	ZISAOXOQYVPTNT-NSOVKSMOSA-N	586.689	2.647	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCN3CC(=O)Nc4cc(-c5c(C)noc5C)ccc4OC[C@H]3C2)cc1	1772594470	CZNONVPZRYFBBR-LJQANCHMSA-N	512.588	2.673	0	40	KFAB	
O=C1NCCNC(=O)[C@@]2(CC=CCOc3ccccc31)CCCN(CC(=O)N1CCc3ccccc31)C2	2037879470	YDWWMSHNXCJJPX-LJAQVGFWSA-N	502.615	2.543	0	40	KFAB	
CC(=O)NS(=O)(=O)c1ccc(NC(=O)CCCCCCCC(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)cc1	8399039	ZLGHXFACCJUOLO-UHFFFAOYSA-N	580.685	2.644	0	40	KFAB	
Cc1cccc(N(CC(=O)NC(C)(C)C)C(=O)C[S@](=O)CC(=O)Nc2ccc3c(c2)OCO3)c1C	12708615	BQRWIZFBQJHPRQ-DHUJRADRSA-N	501.605	2.667	0	40	KFAB	
CCOC(=O)C1=C(CSc2nnc(COc3ccc(F)cc3)n2N)NC(=O)N[C@@H]1c1ccc(C)o1	12792722	SYRSUWUDFQSSQN-LJQANCHMSA-N	502.528	2.575	0	40	KFAB	
COc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4ccc(F)cc4)CC3)c(=O)[nH]c2c1	19940438	TWUBEGKCYDFNLS-WIOPSUGQSA-N	519.581	2.753	0	40	KFAB	
Cc1ccc(C)c(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)S(=O)(=O)N(C)C)c1	22525072	YHBASZPDDXFQQT-UHFFFAOYSA-N	517.633	2.751	0	40	KFAB	
C[C@H](Sc1nc2ccccc2c(=O)n1CCCN1CCOCC1)C(=O)NCc1ccc2c(c1)OCO2	23485568	RFMXKZOGJQHSLQ-SFHVURJKSA-N	510.616	2.645	0	40	KFAB	
COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCc1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)cc1	59837943	QHKSYUISACYPIC-UHFFFAOYSA-N	538.047	2.816	0	40	KFAB	
COc1ccc(N(CC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2OC)S(C)(=O)=O)cc1Cl	60028178	KSUWMRDJVCSTCT-UHFFFAOYSA-N	532.040	2.546	0	40	KFAB	
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@@]2(C)C[C@@H](C)[C@]3(O2)O[C@]1(C)[C@H](O)[C@H]3C	97943138	YKAVHPRGGAUFDN-HQFYLRQTSA-N	715.922	2.989	0	40	KFAB	
Cc1ccc(C)c(N2CCN(S(=O)(=O)c3nn(C)cc3C(=O)N3CCN(c4ccccc4F)CC3)CC2)c1	102920258	TXHHGKBAEGENPM-UHFFFAOYSA-N	540.665	2.649	0	40	KFAB	
COC(=O)c1c(NC(=O)COC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)sc(C)c1C	103057111	GVXCTTYORCAFPZ-UHFFFAOYSA-N	579.697	2.958	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c1	103102521	YEYSTLLAEJTEOQ-HDICACEKSA-N	551.687	2.707	0	40	KFAB	
COC(=O)/C=C/CC/C=C/[C@H](OC)[C@H](O)[C@H](C)[C@H](O)/C(C)=C/[C@H](C)C(=O)CCC[C@@H](CC(N)=O)CC(=O)O	252516318	RSNBAEGFNZIXPM-GATGLCDTSA-N	539.666	2.713	0	40	KFAB	biogenic,in-vitro
CC(C)C(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](CCNS(=O)(=O)c4ccc5nc(O)nc(O)c5c4)OCC[C@@]31C2	257208538	BMNZQFWVFMRBEZ-MQPPSWETSA-N	532.663	2.692	0	40	KFAB	
COC(=O)c1cc(OC)c(OC)cc1NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1	408591014	IJZQMGMGKRDAKL-UHFFFAOYSA-N	522.576	2.547	0	40	KFAB	
O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1	408679472	LVGIENLZHVAKCS-NRFANRHFSA-N	503.596	2.915	0	40	KFAB	
COc1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c(OC)c1	408683753	ITPSFPFSTNDSQN-DUIKAJENSA-N	506.555	2.828	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OC)c(OCCCn3ccnc3)c2)C[C@@](O)(COc2cc(F)cc(F)c2)C1	585274979	SMRAROGONWFXEH-LJAQVGFWSA-N	574.625	2.740	0	40	KFAB	
CN1CC2(CCN(C(=O)Cc3cn(C)c4ccccc34)CC2)C[C@@H](O)[C@@H](O)Cc2ccccc2OCC1=O	643574306	OVEVLZCYBYZPNO-IZZNHLLZSA-N	519.642	2.535	0	40	KFAB	
CN1CC(=O)N[C@H](Cc2ccccc2)COc2ccccc2C(=O)N[C@H](C(=O)NCCc2ccccc2F)CC(=O)N[C@@H](Cc2ccccc2)C1=O	643574800	RQJGUXIIPVJTFO-RDKKHIPBSA-N	707.803	2.979	0	40	KFAB	
O=C1C[C@@H](C(=O)NCCOc2ccc(F)cc2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCC2)N1	643576076	HWJIZJFPQAGFHR-KYJUHHDHSA-N	687.769	2.565	0	40	KFAB	
COCCNC(=O)[C@H](c1ccc2ncccc2c1)N(Cc1ccccc1OC)C(=O)c1snc(C(N)=O)c1N	6136216	YNIDZYUTHPAMPC-QHCPKHFHSA-N	548.625	2.527	0	40	KFAB	
Cc1cc(C)nc(NS(=O)(=O)c2ccc(N3CC4=C(C3=O)[C@H](c3ccccc3)NC(=O)N4C)cc2)n1	35326611	OMVFTFUNQLVSMM-QFIPXVFZSA-N	504.572	2.891	0	40	KFAB	
CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@@H](CC(C)C)C(=O)O	70700818	LDVRDOBJIVCDOS-JMBSJVKXSA-N	536.629	2.620	0	40	KFAB	biogenic
COc1ccccc1N1C(=O)[C@H]2[C@@H](C)N[C@]3(C(=O)N(CC(=O)N4CCc5ccccc54)c4ccccc43)[C@@H]2C1=O	98006378	OGNKSVOBEJANPK-RVPUXHFISA-N	536.588	2.624	0	40	KFAB	
CCOC(=O)C1=c2s/c(=C\c3cccc(OC)c3)c(=O)n2C(N)=C(S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(OC)c1	101485353	DBFIHASHGNEZHJ-HRRCHGLFSA-N	604.706	2.826	0	40	KFAB	
COc1ccc(CCN2C(=O)NC(=O)[C@]3(Cc4c(nc5c(C)cccn5c4=O)N4CCc5ccccc5[C@H]43)C2=O)cc1OC	101670750	ZUOAONDVUWSROA-OOOSNSGVSA-N	593.640	2.988	0	40	KFAB	
CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	223122847	VQTUNRLPFCLKBS-IBGZPJMESA-N	512.028	2.677	0	40	KFAB	
COc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c(OC)c1	224291568	NZLWPYKRFWAVED-SFHVURJKSA-N	523.627	2.798	0	40	KFAB	
CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O	225463596	NQACLSORYACXCW-QGZVFWFLSA-N	557.454	2.999	0	40	KFAB	
CCOC(=O)N1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(OC)c(Cl)c3)cc2)CC1	408559922	NMHSQYMNWHCYER-UHFFFAOYSA-N	511.984	2.829	0	40	KFAB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\[C@@H]4C(=O)N(c5ccccc5)N=C4C)c(=O)n32)cc1OCC	408932960	GBTBBZZYCNEJAT-NPCNDUQZSA-N	560.632	2.806	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/[C@H]3C(=O)N(c4ccccc4)N=C3C)c(=O)n2[C@H]1c1ccc(OC)cc1OC	409021701	UIBBZCJORFKGIE-SOPJAHDPSA-N	560.632	2.806	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409041329	ZUNACWPFOZVITR-ZDZYTSRMSA-N	626.684	2.775	0	40	KFAB	
Cn1cnnc1[C@H]1CCCCN1C(=O)CN1CCC2(CCCCc3ccccc3OCCNC2=O)CC1	643558561	QKKUBVHQYNJFDL-HSZRJFAPSA-N	508.667	2.873	0	40	KFAB	
CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC[C@H]2NC(=O)[C@@H](Cc3ccccc3)NC(=O)C3(CC=CC[C@H]2C1)CCOCC3	2037829044	CZFBEHDBYDBIEQ-QGAYDTHSSA-N	616.759	2.647	0	40	KFAB	
Cc1ccc(C(OC[C@H]2O[C@@H](n3ncc(N)nc3=O)[C@@H](O)[C@H]2O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1	8740117	WINPBGKQLPWUPD-CPKBAGSISA-N	528.609	2.774	0	40	KFAB	
COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2cccs2)c1	12711316	LFXOGZURSAMNRC-DNVCBOLYSA-N	515.617	2.578	0	40	KFAB	
NC(=O)c1nsc(C(=O)N(c2cccc(F)c2)[C@@H](C(=O)NC[C@@H]2CCCO2)c2cccs2)c1N	12711326	SNYVAZDXJKRLLQ-KBXCAEBGSA-N	503.581	2.708	0	40	KFAB	
COc1ccc(/C=c2/sc3n(c2=O)N[C@@]2(c4ccccc4)N(C)C(=O)N(C)[C@@]2(c2ccccc2)N=3)cc1	13764106	MMGMNUOTXKHGRH-LLBOVWFWSA-N	511.607	2.627	0	40	KFAB	
COc1cc(C(=O)NCCN2C(=O)S/C(=C\c3ccc(F)cc3)C2=O)ccc1OCC(=O)N1CCOCC1	17527539	KMSCXEMXEORVAI-HMAPJEAMSA-N	543.573	2.538	0	40	KFAB	
CC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](CCC(=O)NCc3ccco3)C(=O)N12)C(=O)NCCCOC	20642941	QKOVIKMAYVQOFX-LEWJYISDSA-N	525.631	2.999	0	40	KFAB	
CCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)CNC(=O)c2ccc(Cl)cc2Cl)cc1	25390630	ARNSNHIIYTYWCU-UHFFFAOYSA-N	516.403	2.936	0	40	KFAB	
COc1ccc(C[C@]2(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1	70669831	HUTKOILPIRFWEJ-OXYPMYLPSA-N	540.620	2.784	0	40	KFAB	biogenic
CCOC(=O)c1nn(-c2ccc(C)cc2)c(C)c1C(=O)C1=NO[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12	100354677	HOJHGRUIQMKDNI-AUSIDOKSSA-N	504.474	2.932	0	40	KFAB	
O=C(COC(=O)COc1ccc(Br)cc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl	103087006	BLTHMQDGTNQZET-UHFFFAOYSA-N	547.811	2.684	0	40	KFAB	
CCCNS(=O)(=O)c1ccc(OCC(=O)N2C[C@H](C(=O)NCc3ccccc3)Oc3ccccc32)cc1	222666471	IRCXXVWCNOOBKD-RUZDIDTESA-N	523.611	2.864	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	222700860	YDZODRPOGAOHDF-CQSZACIVSA-N	532.446	2.940	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCc1cccc(CN2CCCC2)c1	224638837	BEFBMQKKGKEZQY-UHFFFAOYSA-N	501.649	2.561	0	40	KFAB	
CS(=O)(=O)N[C@H](CC(=O)N1C[C@@H](C(=O)NCCc2ccccc2)Oc2ccccc21)c1ccc(F)cc1	225943675	KTVISBOWRQISSX-RDGATRHJSA-N	525.602	2.959	0	40	KFAB	
CCCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Br)cc3)C2)cc1	408650076	ALMXHWCLHZOLGO-KRWDZBQOSA-N	546.374	2.691	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCCC4)c(OC)c3)c(=O)n2[C@@H]1c1cccs1	409172356	CVEKMBKVTRUVHT-WNRWPCNTSA-N	567.689	2.870	0	40	KFAB	
COc1ccc(CCCNC(=O)[C@@H]2CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCCOc3ccccc3C(=O)N2)cc1OC	643576243	SGUDIXMGPJJBIJ-BQXSUFNCSA-N	715.848	2.708	0	40	KFAB	
CC(=O)Nc1ccc(NC(=O)CN2CCC[C@]3(CC=CCOc4ccccc4C(=O)NCCNC3=O)C2)cc1	2037879742	NGQVLLBPIJBHEW-GDLZYMKVSA-N	533.629	2.551	0	40	KFAB	
CCc1ccccc1NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	666129	KQZZUPMVMNVPKO-DEOSSOPVSA-N	513.641	2.952	0	40	KFAB	
COc1ccc(CN(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2cccs2)cc1	6973574	MEPROULLBDRXOO-OXJNMPFZSA-N	529.644	2.573	0	40	KFAB	
CCOC(=O)c1ccc(NC(=O)CSc2nc(-c3cccs3)nc3c2c(=O)n(C)c(=O)n3C)cc1	9411555	ITLFPQIETOWFBC-UHFFFAOYSA-N	511.585	2.663	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)N(CC(C)C)[C@@H]1CCS(=O)(=O)C1	12863341	FBQZPYVVHKRZKX-LJQANCHMSA-N	506.646	2.732	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)OCC(=O)N1CCN(c2ccccc2)CC1	13060507	DCBLVKSUUPBWIR-UHFFFAOYSA-N	515.632	2.766	0	40	KFAB	
Cc1c(NC(=O)[C@@H](C)OC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccco2)c(=O)n(-c2ccccc2)n1C	13063646	XVJFUMFDBPPRGU-KNQAVFIVSA-N	516.554	2.989	0	40	KFAB	
CCOC(=O)c1oc2cc(OC[C@@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)ccc2c(=O)c1-c1cscn1	97983361	PVMPTMQZVPQGRW-UUHOWJAFSA-N	661.638	2.598	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(=O)c(-c4ccccn4)c(C)oc3c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	170621401	ARWVTIKJEMLWAI-VUXBGWHVSA-N	583.546	2.625	0	40	KFAB	
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)NC[C@H]1CC[C@H](C(=O)O)CC1	217506263	BSVJWNAVNNNGFO-JQOLTRQRSA-N	580.707	2.719	0	40	KFAB	
Cc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)S(=O)(=O)c2ccccc2)c(C)c1	224202125	IAUOVVPPNTUNIB-UHFFFAOYSA-N	545.683	2.944	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	224213925	QYPCYFXTSHASIY-UHFFFAOYSA-N	552.074	2.981	0	40	KFAB	
COC(=O)CSc1nnc(NC(=O)C2CCN(S(=O)(=O)Cc3cccc(Br)c3)CC2)s1	224537177	XBUNMDKKFZJWAS-UHFFFAOYSA-N	549.494	2.746	0	40	KFAB	
COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NCCc2ccc(OC)c(OC)c2)cc1	260716819	GEHHYASYEKXVOI-HHHXNRCGSA-N	597.734	2.903	0	40	KFAB	
Cc1cc(C)cc(N([C@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)c1	260886027	COCXQVGAMOLVMA-OAQYLSRUSA-N	537.704	2.828	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O	260967261	LXYXNUHNMPTEFZ-OALUTQOASA-N	505.637	2.802	0	40	KFAB	
COC(=O)c1cc(NC(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc(C(=O)OC)c1	408601707	GOPJCQSSAGEQTJ-UHFFFAOYSA-N	504.561	2.842	0	40	KFAB	
CCOC(=O)COc1c(/C=c2\sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OCC)=C(C)N=3)cccc1OC	408766672	DGWJLUCCANMIFX-DUBROFONSA-N	542.635	2.810	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)cc1	408827822	KVQDYNJECWHWGG-MLJBDGAYSA-N	536.606	2.667	0	40	KFAB	
COc1ccc(OC)c(S(=O)(=O)N(Cc2ccccc2)[C@H]2CS(=O)(=O)C[C@H]2NCc2ccccc2)c1	575423431	QCEFZJGVMCIVSX-RPWUZVMVSA-N	530.668	2.850	0	40	KFAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCc2ccc(OC)cc2)CC(=O)N(Cc2ccccc2)CC1=O	643570898	WUNZBLPCXUPVGR-NDEPHWFRSA-N	586.689	2.812	0	40	KFAB	
COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC2(CCCCOCCNC(=O)c3ccccc3OC2)CC1	643571359	IOZDDNDNCFRBCS-UHFFFAOYSA-N	545.658	2.574	0	40	KFAB	
Cc1csc(CCCNC(=O)[C@@H]2CCC(=O)N3CCC[C@H]3C(=O)N[C@H](C(C)C)COc3ccccc3C(=O)N2)n1	643571484	BYRGEXMDEQSOTH-VABKMULXSA-N	569.728	2.603	0	40	KFAB	
COc1ccc(C(=O)N2CCO[C@](COc3cccc(Cl)c3)(CC(=O)N3CCN(C)CC3)C2)cc1OC	2037905310	FFNBXIWWHLKHFL-HHHXNRCGSA-N	532.037	2.812	0	40	KFAB	
COc1ccc(OCc2nnc(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)n2-c2ccc(C)c(Cl)c2)cc1	3323810	ZWAHQIBBNXNDGI-UHFFFAOYSA-N	557.032	2.771	0	40	KFAB	
CCOC(=O)CN(C(=O)Cn1nnc(-c2ccc(OC)cc2)n1)[C@@H](C(=O)NC1CCCC1)c1ccc(F)cc1	6546287	OWLYXIQZKNELQQ-RUZDIDTESA-N	538.580	2.680	0	40	KFAB	
COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)c(OC)c1	6924546	FOGDZCVUHZBWGW-HTAPYJJXSA-N	557.604	2.664	0	40	KFAB	
Cc1sc(NC(=O)C(C)(C)C)c(C(=O)OCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)c1C	13063098	KTCVGGAFHGASNW-UHFFFAOYSA-N	526.615	2.880	0	40	KFAB	
CN(CC(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl	20030804	MLROTSMHWNZMKB-UHFFFAOYSA-N	520.460	2.715	0	40	KFAB	
Cc1ccc(C)c2[nH]c(=O)c(CN(CCN3CCOCC3)Cc3nnnn3CCc3ccccc3)cc12	20109342	TXRRWPWIXVYLET-UHFFFAOYSA-N	501.635	2.709	0	40	KFAB	
COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1Cl	59838332	ZBUOYZNRTREHIJ-QHCPKHFHSA-N	566.101	2.805	0	40	KFAB	
CN(C)S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)C1	59923261	ZZISUTMMEGHNIB-HNNXBMFYSA-N	545.481	2.707	0	40	KFAB	
O=C(O)CN(CC(=O)O)c1ccc(Br)cc1OCCOc1cc(Br)ccc1N(CC(=O)O)CC(=O)O	87520331	KCTRRYZOCJDOTC-UHFFFAOYSA-N	634.230	2.621	0	40	KFAB	in-vitro
CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@H](O)C[C@@H](O)CC(=O)OC[C@@H](O)CO)[C@H]21	100071662	JWLPSAWDZUGURB-BBGHKELKSA-N	510.668	2.918	0	40	KFAB	in-vitro
CCN(CC)C(=O)CN1C(=O)[C@@]2(N[C@@H](CCSC)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)c2ccccc21	100130532	PJFQYXJEWPMYMV-FZYNUTEISA-N	534.682	2.623	0	40	KFAB	
CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	223123742	LMDYLKFIZBRIFB-DEOSSOPVSA-N	519.623	2.997	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCCOc3ccc(S(=O)(=O)N(C)C)cc3)Oc3ccc(C)cc32)cc1	260886005	CEZOGLGQGGNEIS-AREMUKBSSA-N	573.693	2.705	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	260898642	DNUXYEAYMDXTFK-OALUTQOASA-N	503.621	2.822	0	40	KFAB	
COC(=O)CN1C(=O)N/C(=C/c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)C1=O	408549666	WMZSWQLGJOGMDE-LZYBPNLTSA-N	519.304	2.801	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccc(Br)cc43)c(=O)n2[C@H]1c1ccccc1OC	409111063	BKQXZFNPLBNQOC-LCPUNJGISA-N	554.422	2.892	0	40	KFAB	
C[C@@H]1CCCCN1C(=O)Cn1cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)c2ccccc21	409128033	HIAZRMRFAATAKA-QWQBBLJPSA-N	510.616	2.937	0	40	KFAB	
CC(C)CNC(=O)[C@@H]1CC(=O)N[C@@H](CC(C)C)C(=O)N(C)CCCCCCOc2ccccc2C(=O)N1	1615154105	FBTFDMNFFMMBAA-GOTSBHOMSA-N	516.683	2.889	0	40	KFAB	
COCCNC(=O)[C@@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N(C)CCCCCCOc2ccccc2C(=O)N1	1615161325	UMZRWZVXAAWDCD-DTXPUJKBSA-N	665.832	2.607	0	40	KFAB	
CC(C)(C)OC(=O)NCCCCCCNC(=O)CCCCC(=O)Nc1cccc2c1C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O	1775953418	QYRMZFOSCLMHJD-OAQYLSRUSA-N	599.685	2.788	0	40	KFAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)Cn4nc(C(F)F)c(Br)c4C)[C@H]3SC2)s1	2788284	FIOGMPMACJQLAP-BLLLJJGKSA-N	595.473	2.582	0	40	KFAB	
Cc1ccc(NC(=O)COC(=O)[C@H](NS(=O)(=O)c2ccc(Cl)cc2)[C@@H](C)O)c(Br)c1	3280806	NKDHKXGBSBSUAW-KZULUSFZSA-N	519.801	2.621	0	40	KFAB	
CSc1cccc(NC(=O)N[C@H]2CCN(C(=O)C=C(C)C)[C@@H]2C(=O)N[C@@H](Cc2cccs2)C(N)=O)c1	4200965	OCHHITHLFUREIK-ONTIZHBOSA-N	529.688	2.740	0	40	KFAB	biogenic,in-vitro
CCOC(=O)CNC(=O)[C@@H](c1ccc(OCC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1OCC	6601640	GGLYPZJPCWPFNS-HSZRJFAPSA-N	569.640	2.689	0	40	KFAB	
COc1ccc(CN(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2cccs2)cc1	6973526	MEPROULLBDRXOO-JXFKEZNVSA-N	529.644	2.573	0	40	KFAB	
CC[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N(Cc1cccnc1)C(=O)CN1C(=O)C(=O)c2ccccc21	8695863	RQRIWNHXEGDDJN-FQEVSTJZSA-N	500.511	2.786	0	40	KFAB	
Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4ccc(O)cc4)CC3)cc2c1	19941631	LYAPTNPRVDHCIP-OZXSUGGESA-N	515.618	2.928	0	40	KFAB	
COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1	30756660	NDVKZAGKRVFKCC-UHFFFAOYSA-N	509.650	2.562	0	40	KFAB	
CCCCOc1ccc(C(=O)N(C)CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)cc1OC	32971987	BKZVLODLWBBDJI-UHFFFAOYSA-N	531.654	2.724	0	40	KFAB	
O=C(Nc1ccccc1C(=O)N1CCCC1)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	102956104	XAMJSKVJSCJJON-AREMUKBSSA-N	582.704	2.625	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)OCCO4)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	109601129	LCLCCJJZKIHIRG-ASZHOJRSSA-N	594.642	2.520	0	40	KFAB	
O=C(Nc1ccccc1C(=O)N1CCOCC1)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1	113947802	YJCUTTAPVZONLB-UHFFFAOYSA-N	506.024	2.993	0	40	KFAB	
COc1ccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1S(=O)(=O)N1CCCCC1	139997340	ZZLZAKAPDRYKQA-FQEVSTJZSA-N	544.051	2.689	0	40	KFAB	
CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)c(Cl)c3)C2)c1	222537214	OSWMUXAMDHDCBP-HNNXBMFYSA-N	516.041	2.605	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	222662242	GVTFENTXNCZKAW-ZDUSSCGKSA-N	516.403	2.651	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	225374926	RJWNGSGHVYAECZ-QZTJIDSGSA-N	501.605	2.562	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCCC4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(F)cc1	409157350	MNNSOHIOGZKURB-HTCWZNLXSA-N	579.650	2.947	0	40	KFAB	
CC(C)C[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCc2cccc(CN3CCCC3=O)c2)CC(=O)N[C@H](C(C)C)C(=O)N1	643565927	RYMLTEASFJRZPC-YHZWXPKMSA-N	619.763	2.678	0	40	KFAB	
CN1CCCN(C(=O)CN2CCCCCCOc3ccccc3N(CC(=O)N3CCCN(C)CC3)c3cncc(c3)C2=O)CC1	643585303	XMLSFJLDMNELJG-UHFFFAOYSA-N	619.811	2.943	0	40	KFAB	
C[C@H](NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1)c1ccccc1	835553	OQVRADSRCREGMR-GBXCKJPGSA-N	513.641	2.628	0	40	KFAB	
CCC(CC)NC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccccc43)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	3770566	WFNXRFDLQJXTCV-QQYUXEJHSA-N	546.649	2.880	0	40	KFAB	
COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2cccs2)cc1	6973737	VEJKUUHVPVOQIM-HNAYVOBHSA-N	515.617	2.578	0	40	KFAB	
CC[C@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)C[C@@H]2CCCO2)cc1	8671350	RYOGQSCHULUCMJ-ICSRJNTNSA-N	509.650	2.572	0	40	KFAB	
CCOC(=O)c1ccc(NC(=O)CSc2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)s2)cc1	8684020	YGTXCUNWNPGMAU-UHFFFAOYSA-N	591.693	2.719	0	40	KFAB	
CC(=O)OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=O)Nc1c(Cl)cc(Cl)cc1Cl	8856326	DZVCIZYWXBFEKF-JQHSSLGASA-N	512.726	2.944	0	40	KFAB	
COC(=O)c1cc(NC(=O)CN2C(=O)N[C@@](Cc3ccccc3)(c3ccccc3)C2=O)cc(C(=O)OC)c1	12635958	PJTNEIRPDCWIDM-NDEPHWFRSA-N	515.522	2.888	0	40	KFAB	
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)c3ccc(COc4ccccc4Br)o3)[C@@H]2SC1	29749441	XGQUHFGRNNBLDJ-UWJYYQICSA-N	551.371	2.536	0	40	KFAB	
COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1	59838538	RVFYRWHPKBJAPA-UHFFFAOYSA-N	549.715	2.895	0	40	KFAB	
COc1ccc(C(N)=O)cc1NC(=O)Cn1c(=O)n(CCc2ccccc2)c(=O)c2oc3ccccc3c21	67291969	ZQUHGWVUKKOCLP-UHFFFAOYSA-N	512.522	2.898	0	40	KFAB	
C[C@@H](OC(=O)c1cc(-c2ccc(OC(F)F)cc2)nc2ccccc12)C(=O)c1c(N)n(C)c(=O)n(C)c1=O	102204927	GRRCUZQIVUGFBH-CYBMUJFWSA-N	524.480	2.911	0	40	KFAB	
CC(=O)N[C@H]1[C@H](Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	102324064	AUZCUOOUVRHFOF-OMQSBVIBSA-N	559.412	2.759	0	40	KFAB	
O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1	224435611	RNTGMIZCIBDMRZ-UHFFFAOYSA-N	594.111	2.751	0	40	KFAB	
CCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	224590058	QODHWIUSHGISJP-QHCPKHFHSA-N	547.674	2.956	0	40	KFAB	
CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	225273074	OQTRINUICDGAQG-QFIPXVFZSA-N	510.607	2.911	0	40	KFAB	
CN(Cc1ccccc1)C(=O)C[C@]1(COc2cccc(Cl)c2)CCCN(C(=O)CNS(C)(=O)=O)C1	257330203	XNIWIPNUDVAQCH-RUZDIDTESA-N	522.067	2.926	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCCC4)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1OC	409172822	FWMFGZLPICOVEI-STEKTNRRSA-N	591.686	2.817	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc2)cc1OC	409179127	KHKFJFODAKTPKE-UHFFFAOYSA-N	575.665	2.559	0	40	KFAB	
C[C@]1(N(CCNS(=O)(=O)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)CCS(=O)(=O)C1	575422683	BVERHNPHHHZRHS-IBGZPJMESA-N	541.500	2.540	0	40	KFAB	
O=S1(=O)C[C@@H]2[C@H](C1)N(S(=O)(=O)c1cc(Br)ccc1Br)[C@H]1CS(=O)(=O)C[C@@H]1N2S(=O)(=O)c1cc(Br)ccc1Br	575425062	WXUKIAYGQDFDHZ-XLAORIBOSA-N	862.254	2.763	0	40	KFAB	
CCOc1ccc(CC(=O)N2CCO[C@](COc3ccc(F)cc3)(CC(=O)N3CCOCC3)C2)cc1	585285248	PQOJWVIIZCLTAB-HHHXNRCGSA-N	500.567	2.692	0	40	KFAB	
CS(=O)(=O)N1CCN(Cc2cccnc2)C[C@@H](C(=O)N2CCC3(CCCCc4ccccc4OCCCNC3=O)CC2)C1	643560485	TYDKLMCFIRYEER-MUUNZHRXSA-N	611.809	2.696	0	40	KFAB	
CN(C)CCN1CCN(C(=O)c2cccc3c2CN(Cc2ccccc2)CC(=O)NCCCCCO3)CC1	643576352	YDGIWTSEPQABAF-UHFFFAOYSA-N	521.706	2.687	0	40	KFAB	
CC(=O)N1CC[C@H]2CCC[C@@H](CN(C(=O)COCC(=O)O)Cc3ccccc31)N2Cc1nccs1	643577854	GRJIOHISFMAUTK-RTWAWAEBSA-N	500.621	2.753	0	40	KFAB	
CSCC[C@H](C(=O)O[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)N1C(=O)c2ccccc2C1=O	3309159	DTZMRMKOQITDCN-DYESRHJHSA-N	536.610	2.773	0	40	KFAB	
CCOC(=O)Nc1ccc2c(COC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc(=O)oc2c1	14128654	MKIIUBHHPBYZRJ-UHFFFAOYSA-N	516.528	2.739	0	40	KFAB	
COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccc(S(=O)(=O)NC(C)=O)cc1	14274485	HPJNQRNYVKJKSB-UHFFFAOYSA-N	500.396	2.718	0	40	KFAB	
CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1	15152894	PZKPENWSOUIUIJ-AWEZNQCLSA-N	509.968	2.503	0	40	KFAB	
CCc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1)S(C)(=O)=O	19933197	WTROBZQFDYZJCR-UHFFFAOYSA-N	517.633	2.861	0	40	KFAB	
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C(=S)NC(=O)c4c(OC)cccc4OC)CC3)cc21	29748022	OPMGILWNULAXCD-UHFFFAOYSA-N	542.589	2.713	0	40	KFAB	
COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccccc2)c1	33354156	RAKVYAUVDZOOFE-UHFFFAOYSA-N	575.665	2.559	0	40	KFAB	
COc1ccc(CCNC(=O)C(=O)NC[C@H](c2ccco2)N2CCN(c3ccc(F)cc3)CC2)cc1OC	56945458	ARQSRUNCPZPGOI-HSZRJFAPSA-N	524.593	2.774	0	40	KFAB	
C[C@]12CC[C@@H]3[C@H](CC[C@]4(O)C[C@@H](OC(=O)CCC(=O)O)CC[C@]34COC(=O)CCC(=O)O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1	70665180	PORLQGCIBQPFNX-LZPODERTSA-N	606.665	2.523	0	40	KFAB	biogenic
CC[C@@H](C)NC(=O)Cn1c(=O)n(Cc2ccc(C(=O)N3CCCCC3)cc2)c(=O)c2cc(OC)c(OC)cc21	102523361	SWNJMWMXEFZRFI-LJQANCHMSA-N	536.629	2.770	0	40	KFAB	
CC(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCN(S(=O)(=O)c4ccc(F)c(Cl)c4)CC3)C2=O)cc1	102894925	QLRUWBWNKNGQOQ-RUZDIDTESA-N	551.040	2.903	0	40	KFAB	
O=C(CNc1ccccc1C(=O)NCc1ccco1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	103007257	MHDINYIENLPKBX-UHFFFAOYSA-N	533.006	2.935	0	40	KFAB	
O=C(NCCNC(=O)C(Br)(Br)Br)C(Br)(Br)Br	150382797	MJUXKRNCAIPMTO-UHFFFAOYSA-N	617.550	2.896	0	40	KFAB	
COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)N3CCN(S(C)(=O)=O)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2	150653421	ZNYJEVPCISJUKP-VWLOTQADSA-N	644.791	2.939	0	40	KFAB	biogenic
Cc1ccc(S(=O)(=O)NCCNC(=O)COc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)cc1	222690447	WKHRHYUJVXBZKF-UHFFFAOYSA-N	517.629	2.578	0	40	KFAB	
COC(=O)C[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccc2c(c1)C1(OC2=O)c2ccc(O)cc2Oc2cc(O)ccc21)C(C)C)C(=O)CF	223563399	WXBWWJLGPZGUOS-MOJBOGCQSA-N	691.665	2.511	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O	223786420	TUXRELRIYTUJBV-HNNXBMFYSA-N	514.417	2.908	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1	225550935	VGAOSQXOWGIYCD-KRWDZBQOSA-N	512.053	2.580	0	40	KFAB	
COC(=O)[C@@H]1CN(C(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c2ccccc2O1	226011652	DOUIKVUVRWEJHX-SANMLTNESA-N	554.621	2.904	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)O)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409031663	HXWQMWBMMBXHLA-FWEPQSEOSA-N	654.694	2.611	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCC(=O)O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409042949	LTXVCKPCBDGDHG-VRMPQCFQSA-N	719.563	2.983	0	40	KFAB	
CCOc1cc(/C=c2\sc3n(c2=O)[C@H](c2cc(OC)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)ccc1OCC(=O)N1CCOCC1	409160195	SZYMUVBJWWANDZ-MXLMUYMQSA-N	665.765	2.840	0	40	KFAB	
COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(OCC(=O)N3CCOCC3)cc2)C1=O	409269065	DMOLKVAKCBYNGE-KGENOOAVSA-N	511.556	2.608	0	40	KFAB	
CC(C)c1ncc(C(=O)N2CCO[C@](COc3cccc(Cl)c3)(CC(=O)N3CCOCC3)C2)cn1	585286842	RJDCHADZMRRDFF-RUZDIDTESA-N	502.999	2.793	0	40	KFAB	
CC(C)CCO[C@@H]1CN(C(=O)c2ccccc2F)CCN(C(=O)/C=C/c2cnn(C)c2)CCCCOC[C@@H](O)[C@H]1O	643586556	PYBAQNUEQDRGIC-UWOWBMHTSA-N	574.694	2.507	0	40	KFAB	
O=C1NC2(CCOc3cc(-c4ccccc4)ccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(Cc1ccncc1)CC2	1548889044	FEIODWJKHIMFRV-FTJBHMTQSA-N	562.692	2.806	0	40	KFAB	
CCOC(=O)Cn1nnnc1[C@@H](CC)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)ccc2[nH]c1=O	1374470	SNNXDLJSFRLGRN-JOCHJYFZSA-N	534.573	2.969	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(=O)O)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1OC	2049460	BFUBIQJLLTXLHN-AFHVAHMMSA-N	508.552	2.514	0	40	KFAB	
CCCCN(C(=O)CSc1nnnn1-c1cc(C)ccc1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	3354983	BUCYUISJIDDCHT-UHFFFAOYSA-N	534.646	2.685	0	40	KFAB	
O=C(OCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)[C@H]1CS[C@@]2(c3cccs3)CCC(=O)N12	3357536	VVMNCROBYUXVAA-AJTFRIOCSA-N	585.729	2.868	0	40	KFAB	
CCOC(=O)CNC(=O)[C@@H](c1c[nH]c2ccccc12)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1F	6546605	JITZWFUNGDYFJH-OAQYLSRUSA-N	538.561	2.512	0	40	KFAB	
COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2cccs2)cc1	6973697	VEJKUUHVPVOQIM-KXBFYZLASA-N	515.617	2.578	0	40	KFAB	
NS(=O)(=O)c1ccc(NC(=O)CCn2c3c(sc2=O)[C@H]2c4ccccc4OC[C@@H]2CS3)cc1	36633796	UTVFJEAMEYLSFM-BFUOFWGJSA-N	503.627	2.832	0	40	KFAB	
Cc1cccc(CCN(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)c1	38145036	FWXRIOMPJLIMOI-NZQKXSOJSA-N	539.633	2.993	0	40	KFAB	
CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c2ccc(Br)cc2Cl)cc1	38150093	UDUPNBIDQUQUOQ-LLVKDONJSA-N	532.800	2.910	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2)cc1	59838741	ZDUSYJQWVVPOMX-UHFFFAOYSA-N	549.715	2.977	0	40	KFAB	
CCCN(C(=O)COC(=O)COc1ccc(C(C)(C)C)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	62572067	YPNXBHWWGQJZLH-UHFFFAOYSA-N	522.602	2.830	0	40	KFAB	
CC(C)n1c(=O)c2ccc(C(=O)NC3CCCCC3)cc2n2c(=O)n(CC(=O)NCc3ccccc3)nc12	64581483	HELAUWFSVQYOBZ-UHFFFAOYSA-N	516.602	2.771	0	40	KFAB	
O=C1C[C@@H]2C(=O)N(Cc3ccccc3)[C@@H]1[C@H](S(=O)(=O)c1ccccc1)[C@@H]2S(=O)(=O)c1ccccc1	102968308	UOFCHJLYOPATKG-CGBRIMPHSA-N	509.605	2.671	0	40	KFAB	
CC(=O)OCOC(=O)CN(CC(=O)OCOC(C)=O)c1cc(Br)ccc1OCCOc1ccc(Br)cc1N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O	150338825	LSJNEJDFJNDXJC-UHFFFAOYSA-N	922.482	2.537	0	40	KFAB	
C[C@@H](C(=O)NC[C@@H]1CCCO1)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1	222890033	QUHPUKUXRYGOES-CYFREDJKSA-N	531.650	2.912	0	40	KFAB	
CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O	222988977	OGIKXHYVGNCOKW-HXUWFJFHSA-N	557.454	2.919	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	223228533	GDEAOIDZGSLNDO-HZPDHXFCSA-N	536.448	2.926	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O	223495210	BTRXGXCVNVAPJJ-LJQANCHMSA-N	517.648	2.997	0	40	KFAB	
CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	224381537	KSWGMEMZZUVWKU-HXUWFJFHSA-N	507.584	2.654	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225401114	QDEIUSBTTZHDLZ-RBUKOAKNSA-N	533.647	2.564	0	40	KFAB	
COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)C1	226089444	NVVIHKYVJQTPON-JOCHJYFZSA-N	549.715	2.548	0	40	KFAB	
CS(=O)(=O)N(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCCO)c1ccccc1)Cc1ccccc1	260714155	AZSMEYXIOHGEQW-SANMLTNESA-N	544.073	2.980	0	40	KFAB	
O=C(NC1CCCCCC1)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	409028400	NFSXQZNMIQXOSH-QHCPKHFHSA-N	505.662	2.589	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCC(=O)OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409032885	DSLZURAVWSKKJC-YCLJBNKMSA-N	780.590	2.914	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3/C(=O)N(C(C)C)c4ccccc43)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	409149337	BZTJJUYETOBVIW-NXLSWJSLSA-N	547.633	2.941	0	40	KFAB	
O=C(COC(=O)CN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(Br)cc1Br	3387112	IGVPXWUPIMJDLZ-UHFFFAOYSA-N	503.147	2.558	0	40	KFAB	
Cc1ccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2c1	22871876	PQUMJXRAUZEYGH-AJTFRIOCSA-N	543.628	2.638	0	40	KFAB	
COc1ccc(N2C(=O)NC(=O)[C@](Cc3cc(OC)c(OC)c(OC)c3)(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)C2=O)cc1	70669790	HKHWVPSZKLHYNK-MVCRGFCOSA-N	616.671	2.814	0	40	KFAB	biogenic
O=C1[C@@H]2[C@H](Cc3ccc(O)cc3)N[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C(=O)N1Cc1ccc2c(c1)OCO2	70699148	KEAWQTGGKQATSK-BMEWAZJXSA-N	531.952	2.938	0	40	KFAB	biogenic
O=C1[C@@H]2[C@H](Cc3ccc(O)cc3)N[C@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C(=O)N1Cc1ccc2c(c1)OCO2	70701456	USLUCCCHZMUGNA-NLPMMIMISA-N	531.952	2.938	0	40	KFAB	biogenic
CC[C@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nnc(C)s3)CS[C@H]12)n1nc(C)c(Cl)c1C	97947836	ZJZIJNIHLGQSQC-RVZJWNSFSA-N	543.096	2.795	0	40	KFAB	
CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)COc2cc(C)ccc2Cl)CC1	103010421	YKAJJOOLWBZQCP-UHFFFAOYSA-N	537.082	2.829	0	40	KFAB	
Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccccc1C(=O)OCC(=O)N(C)[C@H]1CCS(=O)(=O)C1	103090071	COGOLLZWRSVOQO-IBGZPJMESA-N	536.672	2.896	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	105497755	CKMNLNXGRHCUJL-PLQXQRLBSA-N	552.605	2.749	0	40	KFAB	
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccccc4F)CC3)cc2)n1	139713313	VGUTXRGQYNYRLD-UHFFFAOYSA-N	547.634	2.905	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1	140079768	IDGITGHTPSVBEV-UHFFFAOYSA-N	545.643	2.940	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O	224025452	VLCLXLODTQWUGN-INIZCTEOSA-N	526.453	2.777	0	40	KFAB	
CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	224663848	BCMBQJUWSNBSMM-FQEVSTJZSA-N	517.648	2.948	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	224986727	PULMNDWUTZEQPT-RBUKOAKNSA-N	505.637	2.802	0	40	KFAB	
CC1(C)CCC2(CCN(CC(=O)Nc3cccc(S(=O)(=O)N4CCCCC4)c3)CC2)CN1S(C)(=O)=O	257231452	GGTFSGLDLMAIKB-UHFFFAOYSA-N	540.752	2.716	0	40	KFAB	
COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)ccc1OCc1cccc(C(=O)O)c1	409147798	VZABGYZHWBEYKW-FYJGNVAPSA-N	512.540	2.868	0	40	KFAB	
COc1cc(CN2CCOC[C@@](O)(COc3cccc(F)c3)C2)ccc1OCCCN1CCCC1=O	585281930	UPAMREIKIAUFSD-HHHXNRCGSA-N	502.583	2.868	0	40	KFAB	
CC(C)C[C@H]1NC(=O)CC[C@@H](C(=O)NCc2cccc(CN3CCOCC3)c2)NC(=O)c2ccccc2OC[C@@H](C(C)C)NC(=O)[C@H](C(C)C)NC1=O	643564697	AYFPDLJBNSYLAS-KUXLGPMISA-N	734.939	2.919	0	40	KFAB	
CCOC(=O)CN(C(=O)Cn1nnc(-c2ccccc2F)n1)[C@H](C(=O)NC1CCCCC1)c1ccco1	6546255	JZJOLNGQRRVVNW-QHCPKHFHSA-N	512.542	2.654	0	40	KFAB	
O=C(CSC1=Nc2ccccc2C2=N[C@@H](CCC(=O)NC3CCCCC3)C(=O)N12)NC[C@@H]1CCCO1	9471937	MUIXFUPUYZUAIO-RXVVDRJESA-N	511.648	2.903	0	40	KFAB	
CCCn1c(=O)n(C)c(=O)c2c(SCC(=O)NC[C@H](c3ccccc3)N(C)C)nc(CC(C)C)nc21	13000584	FOBWSMDQUAQHSA-LJQANCHMSA-N	512.680	2.610	0	40	KFAB	
CCOC(=O)CSC1=Nc2ccccc2C2=N[C@@H](CC(=O)N3CCN(c4ccccc4)CC3)C(=O)N12	20182484	IFMGGMMEVDPBIN-NRFANRHFSA-N	505.600	2.680	0	40	KFAB	
COc1cc(C(=O)NCCCN2CCOCC2)c(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1OC	22254221	QLARPLTYQBOIKO-UHFFFAOYSA-N	526.055	2.776	0	40	KFAB	
C[C@H](O)[C@@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)CC1)C(=O)O	70701606	OYDNEYNGSFYRIW-KSNOWIBYSA-N	565.667	2.859	0	40	KFAB	biogenic
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)N[C@](C)(c4cccc5ccccc45)C3=O)CC2)c(C)c1	103140145	GOGQLKPOKQCIIZ-MUUNZHRXSA-N	534.638	2.757	0	40	KFAB	
CCOC(=O)/C=c1\s/c(=C/c2ccc(OC)cc2)c(=O)n1Cc1nnc(-c2ccccc2Br)o1	105793422	IFGUBGXCLZGALC-VVPWPQJISA-N	542.411	2.952	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	222576398	NROHQOGTJUBAPU-VWLOTQADSA-N	544.624	2.964	0	40	KFAB	
COc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1OC	222877963	ODPKILSFLWXXEJ-KRWDZBQOSA-N	523.627	2.941	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	261111996	XZENOMUBDXHRQB-MSOLQXFVSA-N	523.627	2.941	0	40	KFAB	
Cn1c(O)c(C(c2cccc(C(F)(F)F)c2)c2c(O)n(C)c(=S)n(C)c2=O)c(=O)n(C)c1=S	409105507	ICBNIFQKLFESRZ-UHFFFAOYSA-N	500.524	2.830	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccc(C)cc43)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	409115434	MLAHEJQHULIFSP-FEYWKWKCSA-N	533.606	2.836	0	40	KFAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(CC)c4ccccc43)c(=O)n2[C@@H]1c1ccccc1OC	409162419	VDRWAUJFYJORHK-QQYUXEJHSA-N	530.650	2.849	0	40	KFAB	
CC(=O)N1CC=CCN(C)C(=O)c2cc(S(=O)(=O)NCC3CCOCC3)ccc2OC[C@H]1CC(C)C	1615192579	XUWZRRISJSEGPE-JOCHJYFZSA-N	521.680	2.675	0	40	KFAB	
Cn1c(=O)oc2cc(NC(=O)CN3CC[C@H]4NC(=O)[C@H](Cc5ccccc5)NC(=O)C5(CC=CC[C@H]4C3)CCOCC5)ccc21	2037879197	FBIGEPUKMSNHBO-OIKPOIBNSA-N	615.731	2.751	0	40	KFAB	
CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N(C)C)C1=O	12526700	PMEVESDGNTWYSR-AREMUKBSSA-N	527.647	2.723	0	40	KFAB	
CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)c1	12542886	UYQMWSBFCOGYMH-UHFFFAOYSA-N	531.631	2.909	0	40	KFAB	
CC(=O)O[C@H]1[C@@H](O)[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@@]23CO[C@@]2(C(C)(C)O)CC[C@](C)(O2)[C@@H]13	95909741	QSNYUAFLCYWOJS-PCTGGZRFSA-N	678.860	2.809	0	40	KFAB	biogenic,in-vitro
CC(=O)O[C@H]1C[C@H]2[C@@H](C)C(=O)[C@@]3([C@@H]4C[C@@H]5C(C)(C)CC[C@@H](OC(C)=O)[C@@]5([C@H](OC(C)=O)O4)[C@H]13)[C@@H]2OC(C)=O	100359524	SIUUVHCUNLXSAT-TWOPZFHQSA-N	534.602	2.737	0	40	KFAB	
O=C(COC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1)NC(=O)NCc1ccco1	103071210	PNKHITHYHCSACC-UHFFFAOYSA-N	551.927	2.922	0	40	KFAB	
CCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)ccc1Cl	103113302	DPKJORMIRAMBJT-UHFFFAOYSA-N	608.522	2.840	0	40	KFAB	
COc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)S(C)(=O)=O)cc1Cl	140109802	HGYJAKBEEMUBDS-AWEZNQCLSA-N	540.023	2.733	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	222510312	IWLHXDZXVUEUCP-RUZDIDTESA-N	557.644	2.995	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O	222854660	VPVRUWHNGDAUJD-SANMLTNESA-N	539.654	2.856	0	40	KFAB	
C[C@@H](C(=O)NCc1ccco1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222856424	XMTRGVFKGWRXMU-FQEVSTJZSA-N	559.616	2.552	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O	223622104	PHLUBGPHHCYMAC-LJQANCHMSA-N	503.621	2.823	0	40	KFAB	
CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223972576	USJNDMPDPODFQZ-QHCPKHFHSA-N	547.674	2.956	0	40	KFAB	
COc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C(=O)N1CCC(C)CC1	224310149	OSUGTKCCOQWYCN-UHFFFAOYSA-N	565.714	2.709	0	40	KFAB	
CSc1cccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)c1	224407565	SDYOSJOHPYDVGG-UHFFFAOYSA-N	541.717	2.544	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	225543911	GKABLCDVOWIXFV-DEOSSOPVSA-N	519.623	2.916	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	261017724	VPYVJWBQFFWTDQ-UXHICEINSA-N	519.664	2.844	0	40	KFAB	
COc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	408593442	POWAFNAZSBXFIJ-LZYBPNLTSA-N	518.320	2.761	0	40	KFAB	
COCC(=O)N1C[C@H](CC(C)C)N(C(=O)c2ccc(-c3ccccc3F)o2)CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)C1	643551549	ROFCECQDUUGKHH-NYQBVXPPSA-N	578.678	2.965	0	40	KFAB	
CN1CCC(CC(=O)N2CCCCC3(CCN(Cc4ccccc4)CC3)C(=O)OC[C@@H](O)[C@@H](O)CC2)CC1	643578499	FAYYITOGCFORLS-RRPNLBNLSA-N	529.722	2.668	0	40	KFAB	
COc1cccc(-c2ccc3c(c2)O[C@H]2CN(Cc4ccccc4F)C[C@H]2N(C)C[C@@H](O)CNS3(=O)=O)c1	1534613536	WCRSWIZOXDDVSP-RWUBSVTLSA-N	541.645	2.718	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1	8767045	IJWFMQHEXCQXQQ-VOZFUJEASA-N	601.523	2.914	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Cl)c(S(=O)(=O)N4CCCC4)c3)CC2)cc1	10288707	GKXMOMMQEVYBTH-UHFFFAOYSA-N	512.053	2.580	0	40	KFAB	
Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(O)cc2)c(C)c1	12473972	PFEYKUIBCNWITE-PGRDOPGGSA-N	523.615	2.830	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O	22527303	VQAITRRKAIMWQK-UHFFFAOYSA-N	502.014	2.538	0	40	KFAB	
Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)N(C)C)C3)cc2)cc1Cl	30855681	CBAWZLIHJLLDKK-MRXNPFEDSA-N	515.057	2.906	0	40	KFAB	
CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@H](CC(C)C)C(=O)O	70700554	LDVRDOBJIVCDOS-LKDDOFHYSA-N	536.629	2.620	0	40	KFAB	biogenic
CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(OCC)cc3)N(CCN3CCOCC3)C2=S)cc1	97995384	AEVIEBRXVMVXPY-XMMPIXPASA-N	554.669	2.925	0	40	KFAB	
CCCN(C(=O)CSc1nnc(-c2ccncc2)n1CCC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	102955219	REKKNJKAYBZNQT-UHFFFAOYSA-N	534.646	2.766	0	40	KFAB	
CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1	103049667	PUMUHVTUAGBRDM-UHFFFAOYSA-N	530.068	2.952	0	40	KFAB	
CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C1=O	103139629	ZLOBMWCOCGWMFU-HHHXNRCGSA-N	538.601	2.669	0	40	KFAB	
CCOC(=O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)[C@@H]1/N=N\c1ccc(S(=O)(=O)O)c2ccccc12	111863516	BINQBZMJVFDZFB-QNBCRBJRSA-N	546.539	2.751	0	40	KFAB	
CCCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	224012506	SVHVQPLLOIPBID-NRFANRHFSA-N	501.605	2.563	0	40	KFAB	
COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3cccc(Br)c3)no2)cc1N1C(=O)CCC1=O	224414075	MWSJTCUPUMCKMG-UHFFFAOYSA-N	535.376	2.982	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O	225456498	SXOUHNVVMSIQCS-CQSZACIVSA-N	500.390	2.518	0	40	KFAB	
COc1ccc(NC(=O)COc2ccc(/C=c3\sc4nc(-c5ccncc5)nn4c3=O)cc2OC)cc1	256055499	JBFBTWIZDQUHNW-HMAPJEAMSA-N	515.551	2.795	0	40	KFAB	
COc1ccc(OC)c(N(CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)S(C)(=O)=O)c1	408616817	CGDWWOCRNAXFGS-UHFFFAOYSA-N	501.527	2.837	0	40	KFAB	
COc1ccccc1N(CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)S(=O)(=O)c1ccccc1	409028617	QJDULHZYVZUSGK-UHFFFAOYSA-N	523.611	2.964	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3/C(=O)N(C(C)C)c4ccccc43)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	409146558	TWJWYHHLQPSBTQ-SBXHHDGASA-N	547.633	2.941	0	40	KFAB	
CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OCC(=O)N3CCOCC3)c(Br)c2)C1=O	409381607	HTTAVWRBJDLYPP-HNEYUBDGSA-N	527.393	2.675	0	40	KFAB	
COc1ccc(C(=O)N[C@H](C)c2cccc(S(N)(=O)=O)c2)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C	514391058	YOTWZLLAFFQZDQ-RZQQEMMASA-N	509.650	2.691	0	40	KFAB	
C[C@@]1(NC(=O)Nc2ccc(-c3ccc(NC(=O)N[C@]4(C)CCS(=O)(=O)C4)cc3)cc2)CCS(=O)(=O)C1	575425279	XRYWVRXSBFYFIN-DNQXCXABSA-N	534.660	2.751	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OCCN3CCCCC3)cc2)C[C@@](O)(COc2ccc(F)cc2)C1	585274519	ZNUAYMWTSRHFKV-LJAQVGFWSA-N	529.653	2.791	0	40	KFAB	
COc1ccc(CCCNC(=O)[C@@H]2CC(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1OC	643565733	IRWGDPLXOSZNSK-SVBPBHIXSA-N	616.715	2.520	0	40	KFAB	
O=C1C[C@@H](C(=O)NCCOc2ccccc2)NC(=O)c2ccccc2OCCCCCCNC(=O)[C@H](Cc2ccc(O)cc2)N1	1615161691	WTZURHGNUCXOOU-VMPREFPWSA-N	616.715	2.872	0	40	KFAB	
COc1ccccc1-n1c(SCC(=O)NC[C@H]2CCCO2)nnc1-c1ccc(NS(C)(=O)=O)cc1	6088781	JRLRJHKBVWHRGD-GOSISDBHSA-N	517.633	2.702	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@H](C(=O)NC3CCCC3)c3cccs3)n2)cc1	7060440	PNJFPVMLAKJUGR-SANMLTNESA-N	567.716	2.761	0	40	KFAB	
COc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc(I)c1OCC(=O)O	8396321	UZIQTHRTUUNNHR-VIZOYTHASA-N	526.258	2.995	0	40	KFAB	
C[C@@H]1CCc2c(sc3nc(SCC(=O)c4c(N)n(C)c(=O)n(C)c4=O)n(-c4ccccc4)c(=O)c23)C1	12549179	WXGOSSVVWZIYLX-CYBMUJFWSA-N	523.640	2.527	0	40	KFAB	
COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Br)c(OCC(N)=O)c(OC)c1	36612631	ZKTOOQWVAWFBSU-LJQANCHMSA-N	519.352	2.597	0	40	KFAB	
CCCCN(C(=O)NCCCCCCNC(=O)N(CCCC)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1	38140413	SEJKVRNPINWFGY-FGZHOGPDSA-N	550.788	2.544	0	40	KFAB	
CSc1nnc(NC(=O)CSc2nn3c(SCC(=O)Nc4nnc(SC)s4)nnc3s2)s1	98002686	GDIAMRBCQBZPMS-UHFFFAOYSA-N	564.776	2.794	0	40	KFAB	
O=C(C[S@](=O)CC(=O)N(CC(=O)NC1CCCCC1)Cc1ccc(F)cc1)Nc1ccc2c(c1)OCO2	100294405	WIRJPABFGNXQSB-DIPNUNPCSA-N	531.606	2.719	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1	102910280	DNDKKKRHQUTWFY-UHFFFAOYSA-N	586.589	2.528	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O	222842246	FPXGPIYXIJYKNE-OAHLLOKOSA-N	501.527	2.643	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1	222949307	BOPYKQQRJHGKMX-FQEVSTJZSA-N	501.649	2.966	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2cc(Cl)ccc2OC)cc1OC	224444550	MXJIZFMMRLUOKH-UHFFFAOYSA-N	684.189	2.777	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)[C@@H](C)C(=O)NCC(C)C)cc1	224472875	GLMRBXBVFUASFF-IBGZPJMESA-N	522.643	2.637	0	40	KFAB	
COc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1OC	224654657	YSKSXLHRSOIXOH-KRWDZBQOSA-N	509.600	2.551	0	40	KFAB	
COc1ccc(OC)c(N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c1	260988847	CGOMUMLXVJAAAP-QGZVFWFLSA-N	523.627	2.941	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(=O)OC)cc3)c(=O)n2[C@@H]1c1ccccc1OCC	408739037	RWRZNXUQTQXEAE-FQWPPLDYSA-N	506.580	2.984	0	40	KFAB	
Cc1cn([C@H]2C[C@@H](O)[C@H](COC(c3ccccc3)(c3ccccc3)c3ccc(OCC(=O)O)cc3)O2)c(=O)[nH]c1=O	5493281	FHTNSNQDROOYJV-KWXIBIRDSA-N	558.587	2.966	0	40	KFAB	
COCCNC(=O)[C@@H](c1ccc2ncccc2c1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1C	6444010	CLQWIPFTDXFXAD-JOCHJYFZSA-N	518.599	2.832	0	40	KFAB	
NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(/C=C/C(=O)OCC(=O)c3ccccc3)cc2)c1	12565776	HQKBYBSRDVXFRB-SDNWHVSQSA-N	500.554	2.574	0	40	KFAB	
CCOC(=O)C1CCN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(OC)ccc2OC)CC1	33739185	QIKYJXIBYHIJOD-UHFFFAOYSA-N	504.605	2.696	0	40	KFAB	
COCCN(C(=O)COC(=O)c1ccccc1Cc1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	38152787	BRORPQDANHKEIH-UHFFFAOYSA-N	542.592	2.594	0	40	KFAB	
CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(C)c1	59852123	UBOVRYMWEIJVFY-UHFFFAOYSA-N	537.704	2.895	0	40	KFAB	
Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@@]1(CC(O)=N2)C(=O)N(CC(=O)NC2CCCCC2)c2ccccc21	95476328	HDPFNKCYMHNYOD-MHZLTWQESA-N	525.573	2.920	0	40	KFAB	
O=C(NC1CCN(Cc2ccccc2)CC1)c1nnn2c1Sc1c(C(=O)NC3CCN(Cc4ccccc4)CC3)nnn1CC2	101383190	GTHLCDVLXKOOTD-UHFFFAOYSA-N	626.791	2.823	0	40	KFAB	
COc1ccccc1-n1c(SCC(=O)N2CCOCC2)nc2ccc(I)cc2c1=O	101724193	LTFVYKOXAUHVKL-UHFFFAOYSA-N	537.379	2.950	0	40	KFAB	
CCOC(=O)C1CCN(C(=O)c2cccc(S(=O)(=O)N(C)c3c(C)n(C)n(-c4ccccc4)c3=O)c2)CC1	103016074	QSHBEOCTWZYKSA-UHFFFAOYSA-N	540.642	2.725	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225036605	VPULWJDQAMMJLP-HXUWFJFHSA-N	547.674	2.956	0	40	KFAB	
CCOc1ccc(N(CC(=O)NCCSc2nc(C)n[nH]2)S(=O)(=O)c2cc(C)ccc2OC)cc1	226059528	SGTIOEPEARBSDN-UHFFFAOYSA-N	519.649	2.933	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@H](Oc2cccc(Oc3ccccc3)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	253531736	FFJCMQMRBBJWRR-BONDPLATSA-N	516.499	2.941	0	40	KFAB	
COc1ccc(OC)c(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c1	260789882	MWBYXIAVNFXDOL-QGZVFWFLSA-N	523.627	2.941	0	40	KFAB	
CC1(C)NC(=O)C[C@@H](C(=O)NCCOc2ccc(F)cc2)NC(=O)c2ccccc2OC[C@@H](Cc2ccccc2)NC1=O	643568287	VSIXOAVNNMJTRH-BVAGGSTKSA-N	590.652	2.524	0	40	KFAB	
COCCN1CCN(C(=O)[C@@H]2CCC(=O)N[C@@H](Cc3ccccc3)COc3ccccc3C(=O)NCCCOc3ccccc3C(=O)N2)CC1	643570231	SNBMPJDWGMYYMS-NYDCQLBNSA-N	685.822	2.675	0	40	KFAB	
Cc1ccnc(SCCCn2c(N3CCN(c4cccc(Cl)c4)CC3)nc3c2c(=O)[nH]c(=O)n3C)n1	1838962	NVWLMCPORMKMSZ-UHFFFAOYSA-N	527.054	2.684	0	40	KFAB	
CCOc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(Cc2cccc(OC)c2)C(=O)c2snc(C(N)=O)c2N)cc1	6601679	KIKQSJHJKQDMSI-XUZZJYLKSA-N	567.668	2.910	0	40	KFAB	
COc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2S(=O)(=O)c2ccc(CNC(C)=O)cc2)cc1	13011941	BLDMJKLUCAEWGC-DEOSSOPVSA-N	522.583	2.876	0	40	KFAB	
CCCn1c(N2CCN(C(=O)COc3cc(OC)c(Cl)cc3Cl)CC2)nc2c(C)nn(C)c2c1=O	28559179	FUUAUZBAMBIPEL-UHFFFAOYSA-N	523.421	2.891	0	40	KFAB	
CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1	59928482	KULWNQJNGALEEP-UHFFFAOYSA-N	524.020	2.971	0	40	KFAB	
COc1cccc(N(CC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)S(=O)(=O)c2ccccc2)c1	100089401	OJRKUIUCCBUISI-UHFFFAOYSA-N	543.667	2.732	0	40	KFAB	
COC(=O)Cn1c(=O)c(C(=O)CSc2ncnc3sc4c(c23)CCCC4)c(N)n(Cc2ccccc2)c1=O	103069255	OWNCDMIDIFAMFM-UHFFFAOYSA-N	551.650	2.672	0	40	KFAB	
CNS(=O)(=O)c1ccc(C)c(NC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2Cl)c1	222826429	AEZSHSRRJAKVEY-UHFFFAOYSA-N	516.041	2.749	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O	223153660	PUHLXUPFDAMPSK-RUZDIDTESA-N	511.619	2.973	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	223485874	SPIPZBNUFZWIHZ-LJQANCHMSA-N	535.663	2.812	0	40	KFAB	
COc1ccc(NC(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)cc1S(=O)(=O)N1CCCCC1	224361856	ZAPOXVHDVKAMEC-UHFFFAOYSA-N	530.068	2.924	0	40	KFAB	
COC(=O)[C@H]1CN(C(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)c2ccccc2O1	226010144	LGCGKAVKQNCWNO-RUZDIDTESA-N	524.595	2.896	0	40	KFAB	
CC1CCC(N2CCN3C(=O)c4ccc(-c5cnn(C)c5)cc4OCC[C@@H]4CC[C@H](O)[C@@H](CNC(=O)[C@@H]3C2)O4)CC1	253405983	UBAKGMXKALMAOA-HDPUZOGYSA-N	565.715	2.599	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O	260994737	QPLCFKAVRYKNSC-OALUTQOASA-N	505.637	2.802	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCC(=O)O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1	408833293	XNXJJFXKQDVWSI-SNXNUMJZSA-N	664.474	2.884	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccc(Br)cc43)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1	409119304	RWORARWZGMATKF-HWNIBJRTSA-N	614.474	2.909	0	40	KFAB	
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@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)C(C)(C)[C@H]3CC[C@@]12C	669679219	NJUXRKMKOFXMRX-NAQNIFLZSA-N	767.010	2.954	0	40	KFAB	
CCCCCN(C(=O)CCC(=O)OCC(=O)N1[C@@H](C)CCC[C@H]1C)c1c(N)n(CCCC)c(=O)[nH]c1=O	12897479	LPIKHZTUYDISMQ-KDURUIRLSA-N	521.659	2.555	0	40	KFAB	
COc1ccccc1N1CCN([C@@H](c2cc3cccc(C)c3[nH]c2=O)c2nnnn2C[C@H]2CCCO2)CC1	19826416	LXLZRNZAUKKGDI-RLWLMLJZSA-N	515.618	2.922	0	40	KFAB	
CCn1c(N2CCN(C(=O)COc3cc(OC)c(Cl)cc3Cl)CC2)nc2c(C)nn(C)c2c1=O	28559058	ZHMXNBIYFKZDAD-UHFFFAOYSA-N	509.394	2.501	0	40	KFAB	
COc1cc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CCc4ccccc4C3)c(=O)[nH]c2cc1OC	33936794	IEJRIOUCNQWMME-CJFMBICVSA-N	502.575	2.859	0	40	KFAB	
O=C(CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1	59852236	CYMLRGXVMSEBTB-UHFFFAOYSA-N	549.715	2.568	0	40	KFAB	
COC[C@@H](C)n1c(SCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)nc2ccccc2c1=O	103067045	SUPMDOUOEMRRRJ-LJQANCHMSA-N	530.672	2.538	0	40	KFAB	
NC(=O)CC[C@H](NC(=O)/C(=C\c1cn(-c2ccccc2)nc1-c1cccnc1)NC(=O)c1ccccc1)C(=O)O	108662391	WNFOSJUJOMLDCW-JECJHWOISA-N	538.564	2.540	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccc(F)cc2)cc1	224451806	RQQITNJKTCQABA-UHFFFAOYSA-N	621.709	2.636	0	40	KFAB	
CCn1cc(C(=O)N2CC[C@H](Oc3cccc(Br)c3)[C@@H](CC(=O)N3CCN(C)CC3)C2)cn1	257284228	PBUWDAJSVSIONP-AVRDEDQJSA-N	518.456	2.739	0	40	KFAB	
COC(=O)CN1C(=O)N/C(=C/c2cc(OC)c(OCC(=O)Nc3ccc(F)cc3)cc2Br)C1=O	408549682	WYDOVMNHRVVVQQ-FRKPEAEDSA-N	536.310	2.680	0	40	KFAB	
CCc1cc(Br)ccc1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2cc(OC)cc(OC)c2)C1	408660777	VHIUOVZUAXINFN-INIZCTEOSA-N	548.390	2.704	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCCC4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	409157856	QJZBMZHCIDFINT-UNRSNATKSA-N	619.696	2.927	0	40	KFAB	
COc1ccc(CCCNC(=O)[C@@H]2CCC(=O)N(C)CCCC(=O)N(C)CC(=O)N[C@@H](CC(C)C)COc3ccccc3C(=O)N2)cc1OC	643571885	PBSFKZHMAGYPBO-YTMVLYRLSA-N	695.858	2.952	0	40	KFAB	
COC(=O)C1=C(C)N=c2s/c(=C\c3c(F)cccc3Cl)c(=O)n2[C@@H]1c1ccc(C(=O)OC)cc1	2681783	FZZSREYQDOPWJP-ZMUHTPIZSA-N	500.935	2.987	0	40	KFAB	
O=C(CCn1c(SCC(=O)NCc2ccccc2)nc2cc3c(cc2c1=O)OCO3)NCc1ccc2c(c1)OCO2	2975585	MIVPGDIOULUFPZ-UHFFFAOYSA-N	574.615	2.969	0	40	KFAB	
Cc1cc(NC(=O)CSc2nc3ccc(N4CCOCC4)cc3c(=O)n2Cc2ccc3c(c2)OCO3)[nH]n1	2976217	PAVFFBHVCMJFSY-UHFFFAOYSA-N	534.598	2.772	0	40	KFAB	
CC(C)C[C@@H](NC(=O)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(C)C)C(N)=O	6135119	KXYQTNFTLYPKFE-YPAWHYETSA-N	515.655	2.761	0	40	KFAB	
COc1ccc(C[C@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3cccc4ccccc34)CC2)cc1OC	8763130	HGAIELVGFRYCNP-DEOSSOPVSA-N	539.654	2.874	0	40	KFAB	
CC1(C)CCc2c(cc(OCC(=O)N[C@H](C(=O)NCCO)c3ccccc3)c3c4c(c(=O)oc23)CCC4)O1	9410475	ZOEBURWWWALRJD-VWLOTQADSA-N	520.582	2.730	0	40	KFAB	
Cc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(F)cc2)cc1	12706206	OZNIMYVHNSXFJF-RXVVDRJESA-N	511.579	2.955	0	40	KFAB	
Cc1ccc(C)c(N2N=C(C(=O)N(CC(C)C)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)CCC2=O)c1	12909576	BYSXQKKEFJJGGN-UHFFFAOYSA-N	516.602	2.956	0	40	KFAB	
Cc1ccccc1N(C(=O)C[S@@](=O)CC(=O)Nc1ccc2c(c1)OCO2)[C@@H](C)C(=O)NC1CCCC1	19941208	IRAFLPRTEULCPU-YJDVNGEMSA-N	513.616	2.891	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccccc3)CC2)cc1	32992574	ILKFOLWPRYAHHZ-RUZDIDTESA-N	507.612	2.569	0	40	KFAB	
COc1cc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)ccc1-n1cnnn1	100336801	IOQKLWVQTPHLIQ-DWACAAAGSA-N	585.600	2.624	0	40	KFAB	
CSC[C@@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)OC(C)(C)CC3)C(=O)N[C@@H](CSC)C(=O)O	103509677	NIBQZUNVWYMGNB-MSOLQXFVSA-N	536.672	2.528	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccccc4)coc3c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	103692558	IKJNNQJEFRCUHB-YKRPGVLCSA-N	568.531	2.922	0	40	KFAB	
COc1ccc(N2C(=O)NC(=O)[C@@](Cc3cccs3)(CN3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)C2=O)cc1	135688029	XBJYDSQMRDDDCT-DORSKGMSSA-N	532.622	2.850	0	40	KFAB	
COc1ccc(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NCCN2CCOCC2)cc1OC	222809962	FCJXCVXWCRTIKL-LJQANCHMSA-N	504.027	2.765	0	40	KFAB	
O=C(NCCN1CCOCC1)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	223082219	GKBBQPSOSHABIV-JGCGQSQUSA-N	685.243	2.828	0	40	KFAB	
Cc1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)cc1NS(=O)(=O)c1ccccc1	224226344	KEVYWPMLTHFENQ-UHFFFAOYSA-N	517.629	2.855	0	40	KFAB	
COc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c(OC)c1	261045252	LCLYBCZEVJCOAF-QGZVFWFLSA-N	523.627	2.941	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cc1C	408562430	ZXTSMYYHWXBHME-QFIPXVFZSA-N	529.659	2.868	0	40	KFAB	
CCOC(=O)c1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1	408690450	VJPYQMYUCWSCJU-MSQQIKOBSA-N	518.566	2.987	0	40	KFAB	
COc1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c(OC)c1	408691321	ZHOMBEWKOYAPBZ-DRYSZXNESA-N	504.539	2.604	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCC(=O)O)c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	408825855	AZDYWVLQVQBWCG-AXADVEHHSA-N	694.500	2.892	0	40	KFAB	
CC(C)C(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](CCNS(=O)(=O)c4ccc5nc(O)nc(O)c5c4)OCC[C@@]31C2	2037843332	BMNZQFWVFMRBEZ-NJYKSPGNSA-N	532.663	2.692	0	40	KFAB	
COc1ccc2cc(C)c3nnc(SCC(=O)Nc4ccc(S(=O)(=O)N5CCOCC5)cc4)n3c2c1	877283	HJWLJDXTCDOWTQ-UHFFFAOYSA-N	527.628	2.951	0	40	KFAB	
CCOCCCN(C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccc(F)cc1	6600135	KDAFWEVEVOUTAR-YIXXDRMTSA-N	584.649	2.788	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@H](C(=O)NC[C@@H]3CCCO3)c3ccc(F)cc3)n2)cc1	7060623	ZYIJGJBUZNUTBB-GNKBHMEESA-N	552.607	2.532	0	40	KFAB	
COc1ccc(C(=O)NCCc2nnc3ccc(SCC(=O)Nc4ccc5c(c4)OCO5)nn23)cc1	9578609	GGHMOKHICDNRFY-UHFFFAOYSA-N	506.544	2.565	0	40	KFAB	
COCCCNC(=O)c1ccc(Cn2c(=O)c3ccccc3n(CC(=O)NCCC3=CCCCC3)c2=O)cc1	9616616	PWSAESAOUMEHHU-UHFFFAOYSA-N	532.641	2.985	0	40	KFAB	
CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cccc(Cl)c1Cl	60028760	QYHQJMOLLPXKBU-UHFFFAOYSA-N	530.415	2.989	0	40	KFAB	
COc1ccc(CC2(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)C(=O)N(C)C(=S)N(C)C2=O)c2ccccc12	70670085	SIXJIUNHTBIAFX-CTNGQTDRSA-N	544.677	2.874	0	40	KFAB	
CC(=O)OC[C@H]1O[C@@H](NC(=S)Nc2ccc(Oc3ccccc3)cc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	101462050	RPGZUPIDELFEPL-ABYVZCGDSA-N	574.608	2.848	0	40	KFAB	
COc1cc2c(=O)n(Cc3ccc(C(=O)N4CCCC4)cc3)c(=O)n(CC(=O)NC3CCCCC3)c2cc1OC	102524148	BUTGJMXJTOBFSK-UHFFFAOYSA-N	548.640	2.914	0	40	KFAB	
Cc1ccc2c(c1)O[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N3CCCC3)cc1)CN2S(=O)(=O)c1ccccc1	224324679	ATHULWKKTNQRSQ-HHHXNRCGSA-N	585.704	2.931	0	40	KFAB	
CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	224721458	PQFKEAJJJHBMHI-OAHLLOKOSA-N	522.421	2.536	0	40	KFAB	
CC[C@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C	224960549	FNIMCQAVJAUPML-XMMPIXPASA-N	502.681	2.922	0	40	KFAB	
COc1cccc(C(=O)N2CCO[C@](COc3cccc(Cl)c3)(CC(=O)N3CCN(C)CC3)C2)c1	257321833	WDLDDJFUEJUFPQ-AREMUKBSSA-N	502.011	2.803	0	40	KFAB	
COc1ccc(OC)c(N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)c1	260849839	DOZDVMUHPIZMQX-QGZVFWFLSA-N	509.600	2.551	0	40	KFAB	
Cc1ccc(CN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)[C@H](C)C(=O)NCC(C)C)cc1	260865816	CRLHSJWJQXVROT-HXUWFJFHSA-N	506.644	2.936	0	40	KFAB	
CO[C@@H](Cc1ccc(-c2coc3cc(OC(=O)[C@@H](C)OC)c(OC(=O)[C@@H](C)OC)cc3c2=O)cc1)C(=O)O	263583684	SWGAGWGEWZSBAK-WBPRFABPSA-N	528.510	2.983	0	40	KFAB	
COC(=O)c1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1	408689134	RLDWTZCCBVSUIS-VATUJKLESA-N	504.539	2.597	0	40	KFAB	
CCOC(=O)COc1cccc(/C=c2\sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OCC)=C(C)N=3)c1	408770233	VBUWEBUKYNQTPY-DUBROFONSA-N	512.609	2.802	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\[C@@H]3C(=O)NC(=S)N(c4ccc(C)c(C)c4)C3=O)c(=O)n2[C@H]1c1ccc(C)cc1	408830080	XZSIOGJTOGJOGP-BFIWFQQYSA-N	588.711	2.739	0	40	KFAB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(OC)c(OC)c(OC)c4)c(=O)n32)cc1OCC	408932155	BEDTVUOMJZEPTF-HYIDZWCSSA-N	554.621	2.841	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C(N)=O)CC2)Cc2ccc(Br)cc2)cc1	409061436	ZWFHAIILMADSCI-UHFFFAOYSA-N	508.438	2.672	0	40	KFAB	
CC(=O)N[C@@H]1[C@H](Sc2nnc(COc3ccccc3C)n2-c2ccccc2)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	504223145	OKYFYXJXMVBPKJ-QDXQZTBOSA-N	626.688	2.903	0	40	KFAB	biogenic
CC(C)[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)N2CCN(c3ccc(Cl)cc3)CC2)CCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N1	643572116	OIWUASBJIUORHF-KCHLEUMXSA-N	650.180	2.551	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3/C(=O)N(CC)c4ccccc43)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	622858	NNEPSGQTFDZIQS-AYWGPLOBSA-N	533.606	2.552	0	40	KFAB	
COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC(C)(C)C)c2ccco2)cc1OC	6074654	YIXISWNTTAGIJX-GOSISDBHSA-N	501.565	2.737	0	40	KFAB	
CCc1nnc(NC(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)n2CC)s1	6860963	LVVDAPCJZKDGTO-UHFFFAOYSA-N	507.667	2.894	0	40	KFAB	
Cc1ccc(C)c(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)S(C)(=O)=O)c1	20035189	GTFUEBFUUUHSJK-KRWDZBQOSA-N	503.606	2.687	0	40	KFAB	
CC(C)CN(C(=O)COC(=O)c1cc2ccccc2cc1O)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	32666475	MWAUGWOFZNXSQA-UHFFFAOYSA-N	516.554	2.872	0	40	KFAB	
Cc1ccccc1N1CCN(C(=O)c2cn(C)nc2S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)CC1	102920455	HSQWLAWNMRLFON-UHFFFAOYSA-N	543.093	2.855	0	40	KFAB	
CNS(=O)(=O)c1ccc(C)c(NC(=O)COc2ccc(S(=O)(=O)N[C@@H](C)c3ccccc3)cc2)c1	222646767	KDSDYTLFEOERGB-SFHVURJKSA-N	517.629	2.960	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O	223003716	DWICFLZTRJHYMU-OAHLLOKOSA-N	514.417	2.908	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	223228582	GDEAOIDZGSLNDO-JKSUJKDBSA-N	536.448	2.926	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(C)cc1I	225024313	BQMTVPLRAYVWBX-UHFFFAOYSA-N	516.357	2.881	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3O)c(=O)n2[C@@H]1c1cccc(OC)c1OCC	408907001	KXGDBZSCQINROY-VOSMRYOYSA-N	524.595	2.920	0	40	KFAB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OCC(=O)N4CCOCC4)c(Cl)c3Br)C2=O)o1	409398633	FGEHKFBUFFSDJI-DHDCSXOGSA-N	612.817	2.821	0	40	KFAB	
Cc1c(CCC(=O)N2CCCCNC(=O)c3cc(Cl)ccc3OC[C@@H](C(C)C)NC(=O)C2)cnn1C	643558958	HPUBZOHPLLAWNS-QFIPXVFZSA-N	518.058	2.887	0	40	KFAB	
CC(C)[C@H]1NC(=O)C[C@@H](C(=O)NCCOc2ccc(Cl)cc2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC1=O	643576417	YCFNNPUIHDZDSO-LYVYPOQBSA-N	692.213	2.791	0	40	KFAB	
O=C(O)COCC(=O)N1CCCCC2(COc3cccnc3)CCN(CC2)C(=O)c2ccccc2OCC1	643578877	IGUFCNCPAKOUPD-UHFFFAOYSA-N	525.602	2.876	0	40	KFAB	
CC(=O)N[C@@H]1CC(=O)[C@]23C(=O)N[C@H](Cc4c[nH]c5ccccc45)[C@@H]2C(C)=C(C)[C@H](O)[C@@H]3C=CC[C@H](C)C=C(C)[C@@H](O)[C@@H]1O	958322867	FOADMCJCIRJHTO-LIVJQQJPSA-N	589.733	2.867	0	40	KFAB	
CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)c2C(=O)NC)C1	2725232	MWIOMZJMKLEHEV-UHFFFAOYSA-N	520.633	2.659	0	40	KFAB	
COc1ccc([C@@H](CNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)N2CCOCC2)cc1	12939320	HHNOVFNLEVHXNT-AREMUKBSSA-N	509.628	2.977	0	40	KFAB	
CCC(C)(C)NC(=O)[C@H](c1cccc(OC)c1)N(CCN1CCOCC1)C(=O)Cn1nnc2ccccc21	20109312	WSKCMPLGGGUMJE-SANMLTNESA-N	522.650	2.647	0	40	KFAB	
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O	70705035	GLXWTQTYBUNYIV-QKDODKLFSA-N	570.646	2.817	0	40	KFAB	biogenic
COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)COC(=O)c2cc(S(N)(=O)=O)ccc2OC)cc1OC	103117196	BTSJMVXFAFCFBW-LJQANCHMSA-N	559.622	2.956	0	40	KFAB	
CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O	223433234	OFJRROFWRWNCDK-LJQANCHMSA-N	512.028	2.677	0	40	KFAB	
CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	225685961	KBYUFNPYCRZUCC-QGZVFWFLSA-N	507.584	2.510	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1ccccc1F)[C@@H](C)C(=O)NCC(C)C)c1ccc2c(c1)OCCO2	225687791	YHXXPGPAXGRBCJ-IBGZPJMESA-N	535.638	2.943	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@@H](C(=O)NC[C@H]3CCCO3)c3ccc(F)cc3)n2)cc1OC	245229846	HBHXJMCWVQQFKN-QSEAXJEQSA-N	582.633	2.541	0	40	KFAB	
C[C@@H]1O[C@H](O[C@@H]2CC[C@@]3(C)[C@H](CC[C@]4(C)[C@@H]3C=C[C@]35OC[C@@]6(CCC(C)(C)C[C@H]63)[C@@H](O)C[C@@]54C)C2(C)C)[C@H](O)[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O	257466565	KQGDHYQRJRGMDG-UAXTZVKMSA-N	764.994	2.805	0	40	KFAB	biogenic,in-vitro
CCCCNS(=O)(=O)c1ccc(OCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(Cl)c1	408635897	JDYTVIQTTRWGLI-UHFFFAOYSA-N	524.039	2.870	0	40	KFAB	
COC(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1	408676001	CHXDGMCEEITAHC-ATEVHTGXSA-N	524.529	2.847	0	40	KFAB	
O=C(C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	408695228	OKDCHGSKAAENDP-UHFFFAOYSA-N	520.051	2.955	0	40	KFAB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCC(=O)O)c(I)c4)c(=O)n32)cc1OCC	408934200	LQCGSRLHPYRISV-ZYDFGXJWSA-N	664.474	2.884	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)c2ccccc2OC)cc1	409141514	IXIGXUNMJHCQRL-UHFFFAOYSA-N	533.628	2.934	0	40	KFAB	
COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(I)c1O	409216234	IYCOOGXQGUPZMJ-VGOFMYFVSA-N	511.247	2.676	0	40	KFAB	
COc1ccc(NC(=O)[C@@H](OC(=O)c2ccccc2Cl)[C@H](OC(=O)c2ccccc2Cl)C(=O)O)nn1	409382859	WRFWBVTVVPFUPI-OALUTQOASA-N	534.308	3.266	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OCCCn3cccn3)c(OC)c2)C[C@](O)(COc2ccc(C)cc2)C1	585278748	AAKARTDHUGOMRD-SSEXGKCCSA-N	552.672	2.770	0	40	KFAB	
O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)o1)N1CCCc2ccccc21	3247766	ABPFTEZAMAQKAW-UHFFFAOYSA-N	500.602	2.829	0	40	KFAB	
COc1ccc(OC)c(C[C@H](NC(C)=O)C(=O)NC2CCN(c3c(Cc4ccccc4)c(C)nc4ncnn34)CC2)c1	8690199	KQOCAYQKUGWXIX-MHZLTWQESA-N	571.682	2.873	0	40	KFAB	
O=C(Nc1ccc(N2CCOCC2)cc1)[C@@H](c1csnn1)N(Cc1ccco1)C(=O)CN1C(=O)c2ccccc2C1=O	8695993	MLQDOKVHELIFHB-AREMUKBSSA-N	586.630	2.973	0	40	KFAB	
COC(=O)c1cc(NC(=O)[C@H]2CN(S(=O)(=O)Cc3ccccc3)c3ccccc3O2)cc(C(=O)OC)c1	100092942	WHUWLLIPDYAVIQ-HSZRJFAPSA-N	524.551	2.996	0	40	KFAB	
C[C@@H]([C@H]1C[C@@H]2CC[C@@H]1C2)n1c(COc2ccccc2F)nnc1SCC(=O)c1c(N)n(C)c(=O)n(C)c1=O	103141822	DDXGBFDTSWBNOB-YLFCFFPRSA-N	542.637	2.948	0	40	KFAB	
COc1ccc(CCN2C(=O)[C@@H]3[C@@H](C(=O)Nc4cc(C)on4)[C@@]4(C)C=C[C@@]3(O4)[C@@H]2C(=O)NC(C)(C)C)cc1	221999567	NSDQYXOKVQAGLP-QARNNDALSA-N	522.602	2.628	0	40	KFAB	
COc1cccc(-c2noc(CN(C)S(=O)(=O)c3nnc(NC(=O)c4ccc(C)cc4)s3)n2)c1	223782471	VDHZRLPGPKRIOK-UHFFFAOYSA-N	500.562	2.978	0	40	KFAB	
CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	225447290	DIDHVHLPOGMDDR-JOCHJYFZSA-N	506.644	2.815	0	40	KFAB	
C[C@@]12CC[C@@]3(C(=O)O)CC[C@@](C)(C(=O)O)C[C@@H]3C1=CC[C@@H]1[C@@]3(C)C[C@H](O)[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@](C)(CO)[C@H]3CC[C@]12C	256003943	UERRXLUEVHKNBY-YVROZHDHSA-N	650.806	2.705	0	40	KFAB	
CCOc1ccc(N(CCCC(=O)N(Cc2ccc(OC)cc2)[C@H](C)C(=O)NC)S(C)(=O)=O)cc1	260863005	UJUGHGYWEWLEEX-LJQANCHMSA-N	505.637	2.803	0	40	KFAB	
CS(=O)(=O)N(CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)Cc1ccc(Cl)c(Cl)c1	408624376	SYQPEHCHRXAQPB-UHFFFAOYSA-N	514.431	2.828	0	40	KFAB	
Cc1cc(OC[C@]2(CC(=O)N3CCN(C)CC3)CN(C(=O)CCc3c(C)nn(C)c3C)CCO2)ccc1Cl	585282701	ABXIUQUGKVDBDL-NDEPHWFRSA-N	546.112	2.772	0	40	KFAB	
COc1cccc([C@@H]2[C@@H](C(C)C)CN(C(C)=O)C[C@H](OC)[C@@H](O)[C@@H](O)COCCCCN2C(=O)CN2CCC[C@](C)(c3cc(O)n[nH]3)C2)c1	643584782	KEKJSKKNXGJCLH-HIPWNCKJSA-N	687.879	2.715	0	40	KFAB	
COc1ccc(C[C@@]2(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)C(=O)NC(=O)N(c3ccccc3)C2=O)cc1	2144575	NOFRXDKMBYNGSB-VDZJOXJSSA-N	526.593	2.788	0	40	KFAB	biogenic
CCOC(=O)CNC(=O)[C@H](c1ccc2ncccc2c1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(C)c1	6089368	WMNLMRUBFKKNSK-QHCPKHFHSA-N	546.609	2.748	0	40	KFAB	
COc1c2ccoc2nc2c(OC)c(O[C@@H]3O[C@@H](C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)ccc12	8740250	VEPUODFCYPKQKH-IJBUEZQFSA-N	517.487	2.917	0	40	KFAB	
Cc1cccc(C(=O)N2CCN(C(=O)[C@@H](NC(=O)c3ccccc3)S(=O)(=O)c3ccccc3)CC2)c1	9764139	MWYVACWUBCXNSZ-VWLOTQADSA-N	505.596	2.509	0	40	KFAB	
COc1cc(/C=C\C(=O)NCCn2ncc3c(=O)n(Cc4ccc(F)cc4)cnc32)cc(OC)c1OC	12071732	NDCDVIZNJXDMST-TWGQIWQCSA-N	507.522	2.636	0	40	KFAB	
O=C(C[S@](=O)CC(=O)N(CC(=O)NC1CCCCC1)c1ccc(F)cc1)Nc1ccc2c(c1)OCO2	19941267	MYFIKZSXZKRVSU-PSXMRANNSA-N	517.579	2.724	0	40	KFAB	
CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	222884040	SRVKIKHTKCOADL-HSZRJFAPSA-N	522.643	2.779	0	40	KFAB	
CCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	224590010	QODHWIUSHGISJP-HSZRJFAPSA-N	547.674	2.956	0	40	KFAB	
O=C1NC[C@@H]2CCC[C@@H](CCOc3ccccc3C(=O)N3CCN(Cc4ccc5c(c4)OCO5)C[C@@H]13)O2	253395517	BYXRPPIOIFAIEI-FUDKSRODSA-N	507.587	2.578	0	40	KFAB	
COC(=O)CN1C(=O)N/C(=C/c2cc(Br)c(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)C1=O	408548021	BYBPDWBOUNTTRK-RQZCQDPDSA-N	532.347	2.849	0	40	KFAB	
COc1ccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3ccc(Br)c(C)c3C)CC2=O)cc1OC	408654684	KWLHQINHEBKPQW-INIZCTEOSA-N	548.390	2.758	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C)c4ccc(Br)cc43)c(=O)n2[C@@H]1c1ccccc1OC	409115661	SRVLZESQKKGWGW-SADKCHQCSA-N	568.449	2.916	0	40	KFAB	
CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@@]6(O)[C@@H](OC)C[C@](OC(C)=O)([C@H]([C@H](OC)[C@H]23)[C@@H]14)[C@H]5[C@H]6C(=O)c1ccc(OC)cc1	605693034	YRECILNLFWZVRM-UTFMDOELSA-N	627.775	2.989	0	40	KFAB	
O=C(C[C@@H]1CCN2C[C@@H]1C=CCOc1ccccc1CN(C(=O)C1CCC1)CC2=O)NCCN1CCCC1	958317899	XQGCKJPOZQBLRO-DQEYMECFSA-N	522.690	2.831	0	40	KFAB	
CC(C)[C@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@@H]3N(C)C2)O[C@@]2(O)[C@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O	3947497	DEQITUUQPICUMR-ZLNFIONPSA-N	611.743	2.717	0	40	KFAB	
CC(C)C[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)C(N)=O	6134929	UKOYGZDVMPSONY-BHDDXSALSA-N	520.671	2.644	0	40	KFAB	
NC(=O)c1nsc(C(=O)N(c2ccc3c(c2)OCO3)[C@@H](C(=O)NC2CCCC2)c2ccc(O)cc2)c1N	12474240	LZRIPUDFOLNERS-OAQYLSRUSA-N	523.571	2.705	0	40	KFAB	
COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2)cc1	12711409	SCBSEJYVDIKSJJ-UGKGYDQZSA-N	523.615	2.825	0	40	KFAB	
COc1ccccc1N1CCN([C@@H](c2cc3cc(C)ccc3[nH]c2=O)c2nnnn2C[C@@H]2CCCO2)CC1	19826186	GZFPAJJTFZJULL-LVXARBLLSA-N	515.618	2.922	0	40	KFAB	
CCOc1c(OC)cccc1[C@@H]1CN2C(=O)CN(CCN3CCOCC3)C(=O)[C@]2(C)c2[nH]c3ccccc3c21	20611325	GFQVQIUJPHXIDN-CHJDUVSTSA-N	532.641	2.939	0	40	KFAB	biogenic
O=C(CSc1ncc(S(=O)(=O)c2ccc(Br)cc2)c(=O)[nH]1)Nc1ccc2c(c1)OCO2	33356654	PHEVLGWMUODAPY-UHFFFAOYSA-N	524.374	2.825	0	40	KFAB	
CC(=O)N[C@H]1[C@H](Sc2nnc(COc3ccccc3C)n2-c2ccccc2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	70712136	OKYFYXJXMVBPKJ-VNOXJOTMSA-N	626.688	2.903	0	40	KFAB	biogenic
Cc1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)cc1S(=O)(=O)Nc1ccccc1	224219032	NEDNTPORSAAPTO-UHFFFAOYSA-N	517.629	2.855	0	40	KFAB	
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	253534462	NEBPBFLVSYFRQE-BHVRVKTJSA-N	822.986	2.789	0	40	KFAB	biogenic
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4ccccc4OC(C)=O)c(=O)n32)cc1OCC	408935362	DNNRZBPCNJWBFZ-PQBKBUHISA-N	522.579	2.741	0	40	KFAB	
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	2060999640	VNVVACHTDGQAHA-FVVSWGJJSA-N	767.010	2.810	0	40	KFAB	
CC(C)(C(=O)Nc1ccc(N2CCOCC2)cc1)N(Cc1cccnc1)C(=O)CN1C(=O)C(=O)c2ccccc21	8694376	INDJSWWAFDCSOC-UHFFFAOYSA-N	541.608	2.894	0	40	KFAB	
C[C@H](NC(=O)C1CCN(C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1)C(=O)NCc1ccc(F)cc1	8918419	WFFNAJNDHQVTSI-UWJYYQICSA-N	504.603	2.585	0	40	KFAB	biogenic
Cc1ccc(C)c(-n2c(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)nc3sc4c(c3c2=O)CCC4)c1	12541497	JOSFLIWQRBBWME-UHFFFAOYSA-N	523.640	2.507	0	40	KFAB	
COc1ccc(CN2CCN([C@H](c3cc4ccc(OC)cc4[nH]c3=O)c3nnnn3C[C@@H]3CCCO3)CC2)cc1	22867613	KFQACXKXNOWHEG-RPLLCQBOSA-N	545.644	2.618	0	40	KFAB	
CCCC(=O)N1CCN(C(=O)[C@H](NC(=O)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)CC1	36625610	RGXOEUYCTLDPGG-HSZRJFAPSA-N	506.024	2.649	0	40	KFAB	
COc1ccc(CN(Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)Cc2nnnn2C[C@H]2CCCO2)cc1	57640386	YRWOXBSHBLMZFD-JOCHJYFZSA-N	520.590	2.922	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)O)cc3)c(=O)n2[C@@H]1c1ccc(SC)cc1	64754757	RAHUOJTWCHPLKH-PGGUJSHWSA-N	524.620	2.984	0	40	KFAB	
CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc(Cl)cc3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	70664692	JWTWVAVUQMMSIC-URYJJRPLSA-N	592.981	2.933	0	40	KFAB	
COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCC2)c2ccc(O)cc2)cc1OC	100284902	POJDUJOOWGGBTM-QFIPXVFZSA-N	539.614	2.994	0	40	KFAB	
COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)[C@H](C)C(=O)NC[C@H]2CCCO2)cc1	222965595	FYFHABXGACECMG-CJFMBICVSA-N	543.686	2.781	0	40	KFAB	
CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	223589162	OCKYLUUZEHVHJV-OAQYLSRUSA-N	503.621	2.905	0	40	KFAB	
COc1ccc(N(CCCC(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)cc1Cl	224304613	OBYPFKALCNWBCT-UHFFFAOYSA-N	574.121	2.875	0	40	KFAB	
Cc1ccccc1N(CCCC(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)S(C)(=O)=O	224335810	JVFKNUKYUNBBIG-UHFFFAOYSA-N	523.677	2.521	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2cc(C)cc(C)c2)cc1OC	224444784	HCXUBLUCQRGHOF-UHFFFAOYSA-N	647.772	2.732	0	40	KFAB	
COc1cc([C@H](Nc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)C(=O)NC[C@@H]2CCCO2)cc(OC)c1OC	229923448	LAZTWJYUGPHMKS-BKSPAHHJSA-N	563.673	2.618	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3/C(=O)N(C(C)C)c4ccccc43)c(=O)n2[C@H]1c1cc(OC)ccc1OC	409146553	TWJWYHHLQPSBTQ-NXLSWJSLSA-N	547.633	2.941	0	40	KFAB	
CC(C)[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCc2ccccc2F)CCC(=O)N2CCC[C@H]2C(=O)N1	643571772	ITGBWLZFEAPJHS-SDHOMARFSA-N	552.647	2.587	0	40	KFAB	
CCOC(=O)CC1=C(C(=O)OCC)[C@]2(C(=O)Nc3ccccc32)C(C(=O)OCc2ccccc2)=C(N)O1	989367	QFPDVUSXTMCLDE-MHZLTWQESA-N	506.511	2.591	0	40	KFAB	biogenic
CCOC(=O)c1ccc(NC(=O)[C@H](CCSC)NC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1	2147592	MKRHQGOTJVOMNR-LMNJBCLMSA-N	512.632	2.914	0	40	KFAB	biogenic
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCN(C(C)=O)C3)cc1	3007291	VRXULBMIMQIXND-UHFFFAOYSA-N	506.650	2.815	0	40	KFAB	
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(C(=O)COc3ccccc3)C2)cc1	4150054	VKBYGIXNRWCDCE-VQTJNVASSA-N	536.610	2.632	0	40	KFAB	biogenic,in-vitro
CCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@H](C)C4)cc3)c2C(=O)OC)C1	9391455	YWNXNWPFTFWPRQ-IYBDPMFKSA-N	521.661	2.963	0	40	KFAB	
COc1ccccc1C[C@H](NC(C)=O)C(=O)NC1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1	13565676	SATVWTYZEFQPRM-FQEVSTJZSA-N	527.565	2.731	0	40	KFAB	
COc1c(S(=O)(=O)NCc2ccccc2)cc(S(=O)(=O)NCc2ccccc2)c(OC)c1OC	16194438	SLPLBHZIOTXOOY-UHFFFAOYSA-N	506.602	2.669	0	40	KFAB	
COc1ccc(N2C(=O)c3ccc(C(=O)NC[C@H](c4ccco4)N4CCOCC4)cc3C2=O)cc1OC	19795670	ISEFIIITSQZNIH-OAQYLSRUSA-N	505.527	2.901	0	40	KFAB	
O=C(CSC1=Nc2ccccc2C2=N[C@@H](CCC(=O)N3CCN(c4ccccc4)CC3)C(=O)N12)NC[C@@H]1CCCO1	33356295	ONXZYQIJFCFMMM-DHLKQENFSA-N	574.707	2.803	0	40	KFAB	
CCOC(=O)c1c(NC(=O)CN2CCN([C@H]3CCS(=O)(=O)C3)CC2)sc(C)c1-c1ccc(C)cc1	62620649	RKUONYXEPWVGKI-FQEVSTJZSA-N	519.689	2.952	0	40	KFAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)Cn4nc(C(F)(F)F)c(Br)c4C)[C@@H]3SC2)s1	97948902	JVWAGKKRCOUEJZ-NHYWBVRUSA-N	613.463	2.664	0	40	KFAB	
COCCO[C@H]1[C@@H](n2ccc(=O)[nH]c2=O)O[C@@H](COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)[C@H]1O	137975119	YVYKKLNOXPCFGC-QGAYDTHSSA-N	604.656	2.852	0	40	KFAB	
O=c1cccc2n1C[C@H]1C[C@H]2CN(S(=O)(=O)c2ccc3c(c2)OCCOCCOc2cc(S(=O)(=O)N4C[C@@H]5C[C@@H](C4)Cn4c5cccc4=O)ccc2OCCOCCO3)C1	150520049	IMVHYSWWBHTDEG-YDPTYEFTSA-N	864.996	2.888	0	40	KFAB	
C[C@@H](C(=O)NCCc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222701805	JQRYMPZIXCYVHM-DEOSSOPVSA-N	565.692	2.863	0	40	KFAB	
CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	222867834	DSCWNHSQZUVLSX-JOCHJYFZSA-N	535.663	2.810	0	40	KFAB	
CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	224335072	NJDXGHXBOWMAIN-IBGZPJMESA-N	510.012	2.778	0	40	KFAB	
Cc1ccccc1CN(C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O)[C@H](C)C(=O)NC1CCCC1	260785099	LGULEUQFLJRACU-LJQANCHMSA-N	515.632	2.966	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1	408984791	MVYBQUYNUCPKQS-WVWKGNOCSA-N	510.568	2.530	0	40	KFAB	
Cc1nn(C)c(C)c1NC(=O)CN1CC[C@H]2NC(=O)[C@@H](Cc3ccccc3)NC(=O)C3(CC=CC[C@@H]2C1)CCOCC3	2037879463	XTWTXXGLGRIAOO-ZONZVBGPSA-N	576.742	2.656	0	40	KFAB	
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CSc3nnc(-c4ccccn4)n3C)cc2)nc(C)n1	2355692	VPNFMUQCOORHRE-UHFFFAOYSA-N	510.605	2.816	0	40	KFAB	
CCOC(=O)CNC(=O)[C@H](c1ccc(OCC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(C)cc(C)c1	6601360	IBAJDGCAOVVSNQ-QHCPKHFHSA-N	553.641	2.907	0	40	KFAB	
COCCNC(=O)[C@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)cc1C	12467348	ALJORNYWGHYQOD-NRFANRHFSA-N	511.604	2.600	0	40	KFAB	
Cn1c(=O)n(C)c2cc(NC(=O)C3CCN(S(=O)(=O)Cc4ccc(Br)cc4)CC3)ccc21	20459961	IRMZUMNQSWAQKT-UHFFFAOYSA-N	521.437	2.820	0	40	KFAB	
O=C(O)CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]2C1=O)[C@@H]1[C@@H](c2ccc(Br)cc2)c2sc(=O)[nH]c2S[C@H]31	100864135	BKXAIHBEWJHDDZ-MSXXSLDFSA-N	521.414	2.757	0	40	KFAB	
CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1	103010248	CAOFYIGLKNSWNA-UHFFFAOYSA-N	543.564	2.765	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	223911994	NESQRDUIFQYQQV-OAHLLOKOSA-N	522.421	2.537	0	40	KFAB	
COC(=O)c1cc(NS(=O)(=O)c2nnc(NC(=O)c3ccccc3Cl)s2)cc(C(=O)OC)c1	223921327	PEDBPVKPUTVGPQ-UHFFFAOYSA-N	510.937	2.818	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O	225481179	YBXYDKAPYMYYHO-KRWDZBQOSA-N	510.454	2.995	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1ccc(C)cc1)[C@@H](C)C(=O)NC(C)C)c1ccc2c(c1)OCCO2	225528607	FFUGWYQFDDDELL-FQEVSTJZSA-N	517.648	2.864	0	40	KFAB	
O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1)NCCN1CCOCC1	408626688	ZZOWUDZMYOYLSB-UHFFFAOYSA-N	530.872	2.742	0	40	KFAB	
COc1ccccc1CNC(=O)[C@H](OC(=O)c1ccc(OC(C)=O)c(OC)c1)[C@@H](OC(=O)c1ccc(OC(C)=O)c(OC)c1)C(=O)O	409376278	WOYBSDSLZJURSE-VSGBNLITSA-N	653.593	2.715	0	40	KFAB	
CN(CCCC[C@H]1C(=O)N(C)CCCCc2ccccc2OCC(=O)N1C)C(=O)CCc1ccnn1C	643559980	WYVHTGXVDAOVTL-DEOSSOPVSA-N	511.667	2.682	0	40	KFAB	
CS(=O)(=O)NCC(=O)N1CCN(Cc2ccccc2)CCCN(C(=O)C2CC2)c2cc(Cl)ccc2C1	643567813	XMIJQMOPJZQLMW-UHFFFAOYSA-N	533.094	2.867	0	40	KFAB	
O=C(c1ccc2nn[nH]c2c1)N1CCCCC2(CCN(Cc3ccccc3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1	643577608	CCMLJEFLCXVJQN-IZZNHLLZSA-N	535.645	2.522	0	40	KFAB	
Cc1ccc(OCCNC(=O)[C@@H]2CCC(=O)N[C@H](Cc3ccccc3)C(=O)N(C)CCOc3ccccc3C(=O)N2)c(C)c1	643579876	GUZFZBJFDYXFAR-WUFINQPMSA-N	600.716	2.956	0	40	KFAB	
CC(C)CCO[C@@H]1CN(C(=O)c2ccccc2F)CCN(C(=O)c2cscn2)CCCCOC[C@@H](O)[C@H]1O	1615160811	ZTVYBOOVMZQEAR-UBFVSLLYSA-N	551.681	2.830	0	40	KFAB	
CC(=O)N[C@H](C(=O)N1CC[C@H]2NC(=O)[C@H](Cc3ccccc3)NC(=O)C3(CC=CC[C@H]2C1)CCOCC3)[C@@H](C)OC(C)(C)C	2037829051	HPSRZSHLKHSGCH-XZYRXSQLSA-N	610.796	2.902	0	40	KFAB	
CCN1C(=O)[C@H](CC(=O)Nc2ccc(I)cc2)N(NC(=O)c2ccccc2)C1=S	1078079	CJHHUKDNIHTVRA-INIZCTEOSA-N	522.368	2.782	0	40	KFAB	
CN(C)CCCNC(=S)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3	6198541	JIRHXHCURPLKLA-UHFFFAOYSA-N	510.616	2.856	0	40	KFAB	
CCOC(=O)CNC(=O)[C@@H](c1cccs1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(CC)cc1	6843635	DECILKLJRGCVOZ-LJQANCHMSA-N	515.617	2.516	0	40	KFAB	
CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)OCC(=O)NC(=O)NCc3ccco3)cc2)cc1	12532361	OULPNAOLNHLMOH-UHFFFAOYSA-N	501.517	2.662	0	40	KFAB	
COc1ccc(C(=O)COC(=O)/C=C/c2ccc(S(=O)(=O)Nc3cccc(S(N)(=O)=O)c3)cc2)cc1	17576524	HTOOUEHQGQZUHN-VGOFMYFVSA-N	530.580	2.583	0	40	KFAB	
Cc1cc(C)c2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2c1	22869788	NWOQGZKNKVUCJQ-DFHRPNOPSA-N	557.655	2.946	0	40	KFAB	
CC(=O)OC[C@H]1O[C@@H](Oc2cc3oc(=O)c4c(c3cc2Cl)CCCC4)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	101969388	MSFMMJSYVUWAEJ-SRFJDDQZSA-N	580.970	2.787	0	40	KFAB	
COc1ccc(OC)c(C(=O)Cn2c(=O)n(Cc3nc(-c4ccccc4)no3)c(=O)c3cc4c(cc32)OCO4)c1	102089499	YSFHXFRTWFOPMP-UHFFFAOYSA-N	542.504	2.890	0	40	KFAB	
Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)COC(=O)[C@H]3CC(=O)N(NC(=O)c4ccccc4)C3)cc2)cc1	102097947	USZRRGUBCRAHMJ-NRFANRHFSA-N	536.562	2.682	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	222712656	KAPLLOXWMBVGEM-CQSZACIVSA-N	530.430	2.694	0	40	KFAB	
CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OC	223832968	XASQWTSYASUGFZ-NRFANRHFSA-N	525.649	2.672	0	40	KFAB	
COc1ccc(CN2CC(=O)N3CC[C@@H](CC(=O)N4CCN(C=O)CC4)[C@@H](/C=C\COc4ccccc4C2)C3)cc1	253394145	ALGDKDKPDWBLTC-YQRQJTODSA-N	560.695	2.801	0	40	KFAB	
CCc1ccc(S(=O)(=O)N2CCO[C@](COc3cccc(Cl)c3)(CC(=O)N3CCN(C)CC3)C2)cc1	257226087	FJCLXPRSVVUGOI-AREMUKBSSA-N	536.094	2.905	0	40	KFAB	
CCCCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccccc3Cl)C2)cc1	408661444	VVUGKTWHVZUTQT-KRWDZBQOSA-N	515.950	2.972	0	40	KFAB	
CN1CC(=O)N(CCCOc2ccc(CN3CCOC[C@](O)(COc4ccc(Cl)cc4)C3)cc2)C1=O	585280647	QQXFPUUHTIJTAW-SANMLTNESA-N	518.010	2.645	0	40	KFAB	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)OCC(=O)Nc1c(F)cccc1F)n2C	6095200	PCYCWSGDNSSHCC-UHFFFAOYSA-N	508.547	2.997	0	40	KFAB	
CC(C)CCNC(=O)[C@H](CC(C)C)N(Cc1ccc2c(c1)OCO2)C(=O)c1snc(C(N)=O)c1N	6134379	VBAQZWPZUAQLFX-INIZCTEOSA-N	503.625	2.772	0	40	KFAB	
COc1ccc(CCNC(=O)COC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1OC	12311744	HZWUQRWJAWSXFE-UHFFFAOYSA-N	518.632	2.713	0	40	KFAB	
C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](CC(=O)O)C(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C	12661562	ZNPMAJFFZNNVII-YJYFYFTNSA-N	500.592	2.730	0	40	KFAB	biogenic
C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1	12978233	VWTOETCPMQEPDG-DAYGRLMNSA-N	517.442	2.710	0	40	KFAB	
CCOC(=O)C1CCN([C@@H](c2cc3ccc(OC)cc3n3nnnc23)c2nnnn2C2CCCC2)CC1	13513743	GGBVXWWUYYOZKB-QFIPXVFZSA-N	505.583	2.752	0	40	KFAB	
Cc1cccc(-c2nn3c(=O)cc(CN4CCN(S(=O)(=O)c5cc(F)ccc5F)CC4)nc3s2)c1	41077547	PVAGQCYNOIOWEJ-UHFFFAOYSA-N	517.583	2.911	0	40	KFAB	
O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl	96022333	NPUMUPGXZCGTOY-UHFFFAOYSA-N	572.105	2.943	0	40	KFAB	
C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)CCc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)C1	103038209	DVTICMHTROCCSY-FQEVSTJZSA-N	535.688	2.699	0	40	KFAB	
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc4c(c3)OCO4)S(C)(=O)=O)cc2)cc1	110288311	NXHBACRTCMAKIF-UHFFFAOYSA-N	533.584	2.629	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN(c3ccccc3F)S(=O)(=O)c3ccccc3)CC2)cc1	113635133	APAPQBYUVWUINB-UHFFFAOYSA-N	531.631	2.863	0	40	KFAB	
C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1nc(-c2cccc(Br)c2)no1	222871545	DFOCZMFVYOWQAC-CYBMUJFWSA-N	509.382	2.979	0	40	KFAB	
COc1ccc(CCNC(=O)[C@@H](Cc2ccccc2)N(Cc2ccccc2)C(=O)CN(C)S(C)(=O)=O)cc1OC	223043076	XKOZIFQUOAQDTE-AREMUKBSSA-N	567.708	2.894	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1	224397266	HQWUBCWCIBIEMK-LJQANCHMSA-N	541.717	2.519	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1	224686272	RROXQHAECZNNKA-UHFFFAOYSA-N	519.645	2.970	0	40	KFAB	
CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225005665	LCJVUIBCFYWUKQ-FQEVSTJZSA-N	547.674	2.956	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OCC)cc1)S(C)(=O)=O	225019720	FEUBQASQSZFJBX-LJQANCHMSA-N	505.637	2.803	0	40	KFAB	
CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2[C@@H](O)C[C@@]3(C)[C@@H]4C[C@@H](O)[C@H]5C(C)(C)[C@H](O[C@H]6OC[C@@H](O)[C@@H](O)[C@H]6O)CC[C@@]56C[C@@]46CC[C@]23C)O1	257199187	VXHVFDQYSSFKAR-RVDLYMLJSA-N	622.840	2.900	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCSc3nc(-c4ccccc4)n[nH]3)C2)cc1	260734464	IOHWBIRSMMWVEB-SFHVURJKSA-N	501.634	2.790	0	40	KFAB	
COC(=O)COc1c(Cl)cc(C(c2c(O)n(C)c(=S)n(C)c2=O)c2c(O)n(C)c(=S)n(C)c2=O)cc1Br	409065012	KEPCZIDEOQMMSG-UHFFFAOYSA-N	633.930	2.779	0	40	KFAB	
Cc1ccc(OCCNC(=O)[C@@H]2CC(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3COc3ccccc3C(=O)N2)c(C)c1	643578287	NKNGPONNLDJJGU-SNUWEPMUSA-N	564.683	2.511	0	40	KFAB	
COc1ccccc1C(=O)NCCCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)c2ccccc2OC[C@H](Cc2ccccc2)NC1=O	643580711	OEJDGJDFWDDDNA-QJANCWQKSA-N	715.848	2.522	0	40	KFAB	
Cn1cc(CCC(=O)N2CC[C@H]3NC(=O)[C@H](Cc4ccccc4)NC(=O)C4(CC=CC[C@H]3C2)CCOCC4)cn1	2037880051	RKPLTJNLIGWZDB-VJGNERBWSA-N	547.700	2.560	0	40	KFAB	
CC(=O)NCc1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I	3830933	VVDGWALACJEJKG-UHFFFAOYSA-N	627.942	2.793	0	40	KFAB	biogenic,world
CCOC(=O)[C@H](CCCNC(=N)NC(=O)OCc1ccccc1)NC(=O)[C@@H](C(C)C)N1C(=O)c2ccccc2C1=O	5081595	RNLPVZPVNVYIDT-XZOQPEGZSA-N	565.627	2.586	0	40	KFAB	
O=c1nc([C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)[nH]c2c1nnn2Cc1ccccc1Cl	6161915	JRUDPCKFLWFIMD-MRXNPFEDSA-N	543.005	2.556	0	40	KFAB	
COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2cccs2)cc1	6973738	VEJKUUHVPVOQIM-DNVCBOLYSA-N	515.617	2.578	0	40	KFAB	
COC(=O)C1=C(C(=O)c2ccc(Br)cc2)[C@H](c2ccc(OC)cc2OC)n2nnnc2N1	10232012	WXKIRVIKHIETEI-SFHVURJKSA-N	500.309	2.778	0	40	KFAB	
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nc4cc5c(cc4s3)OCO5)cc2)CC1	12080575	SKYHKXXNFNVIBS-UHFFFAOYSA-N	518.573	2.740	0	40	KFAB	
Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(N4CCN(C(=O)[C@@H]5CCCO5)CC4)cc3)n2)cc1	13564494	DVQMLGBXRDGDLP-VWLOTQADSA-N	501.587	2.685	0	40	KFAB	
Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)NCc1ccc(S(N)(=O)=O)cc1	59852083	YUBUWGMMKMBNFQ-UHFFFAOYSA-N	524.020	2.792	0	40	KFAB	
COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NCCN2C(=O)S/C(=C\c3ccccc3F)C2=O)CC1	97980335	WWRMJXDXLBEJRS-PGMHBOJBSA-N	575.640	2.866	0	40	KFAB	
C[C@@H]1N[C@]2(C(=O)N(CC(=O)N3CCc4ccccc43)c3ccccc32)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12	103013161	MWJXSRGNDPKFQC-MJIUFTLYSA-N	506.562	2.615	0	40	KFAB	
Cc1ccc(S(=O)(=O)NCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)cc1	222542613	SUKVXJRMJGGQPP-MRXNPFEDSA-N	534.487	2.797	0	40	KFAB	
COc1cccc(-c2noc(CNS(=O)(=O)c3nnc(NC(=O)c4ccccc4Cl)s3)n2)c1	222613709	OXBMILBJTLBHIJ-UHFFFAOYSA-N	506.953	2.981	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	222867621	KUKXMUJLFNTJAI-VWLOTQADSA-N	567.664	2.619	0	40	KFAB	
Cc1[nH]c(C)c([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1I	223128191	KUXIWIIDPORNNN-OALUTQOASA-N	511.433	2.936	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1	225479028	KHDKGFXBPMAZKD-UHFFFAOYSA-N	521.661	2.828	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1	225535747	IHBAUYQJURXKPV-KRWDZBQOSA-N	525.624	2.658	0	40	KFAB	
COc1cc([C@@H]2c3cc4c(cc3[C@H](O[C@@H]3O[C@@H]5CO[C@H](c6cccs6)O[C@@H]5[C@H](O)[C@@H]3O)[C@H]3COC(=O)[C@@H]23)OCO4)cc(OC)c1O	253928518	NRUKOCRGYNPUPR-UXRQYBFHSA-N	656.662	2.753	0	40	KFAB	in-vitro
COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2F)cc1	7059822	HMBMSCMORITEHI-IIBYNOLFSA-N	527.578	2.655	0	40	KFAB	
COCCOCCOCCOCCOCC(=O)Nc1c(I)cc(I)c(C(=O)O)c1I	8214584	DTUIYHKGHZRDJB-UHFFFAOYSA-N	763.101	2.850	0	40	KFAB	in-man
CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)CC1	12867184	OILYMYSHZKRJNK-CZAAIQMYSA-N	505.612	2.682	0	40	KFAB	biogenic
COCCn1nnnc1[C@H](c1cc2cccc(C)c2[nH]c1=O)N1CCN(c2nc3ccccc3s2)CC1	19973053	KWNSYWJJINQSBP-QHCPKHFHSA-N	516.631	2.991	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1	20494717	LAKKXWFHAHCNMC-UHFFFAOYSA-N	516.601	2.928	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(S(=O)(=O)Nc4cccnc4)cc3)C2)cc1	60028631	DKNLYESJGMXFJN-SFHVURJKSA-N	530.628	2.930	0	40	KFAB	
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O	70705122	WWINRDXLWQQKMF-QKDODKLFSA-N	570.646	2.817	0	40	KFAB	biogenic
CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1	85867527	WIGHCPZBXOGLKE-VBYIYKQISA-N	780.993	2.882	0	40	KFAB	biogenic
COC(=O)[C@@H]1[C@@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3c(C)nn(-c4ccccc4)c3C)c(=O)n12	101612329	ZGQVOMJTPLZNRP-QUYUAKIFSA-N	500.580	2.662	0	40	KFAB	
COc1ccc(S(=O)(=O)NCCC(=O)NCc2cccnc2)cc1N(C)S(=O)(=O)c1ccc(Cl)cc1	102415831	BLJNWDCSYUQXDO-UHFFFAOYSA-N	553.062	2.554	0	40	KFAB	
COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)[C@@H](C)C(=O)NC[C@@H]2CCCO2)cc1	222965420	FYFHABXGACECMG-CPJSRVTESA-N	543.686	2.781	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	222980447	YKCOGGSHBZPLMM-FQEVSTJZSA-N	517.648	2.948	0	40	KFAB	
C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)[C@H](O)C[C@]2(C)[C@]12Cc1c(O)cc3c(c1O2)CN([C@@H](CCC(=O)O)C(=O)O)C3=O	257809835	DIVSBLPHAPTLNH-OUVXZEMISA-N	531.602	2.544	0	40	KFAB	biogenic,in-vitro
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	260911609	FUJZSBIJLMCIQH-MSOLQXFVSA-N	510.607	2.910	0	40	KFAB	
COc1ccc(CCCNC(=O)[C@@H]2CC(=O)N[C@H](C(C)C)C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCCOc3ccccc3C(=O)N2)cc1OC	643576245	SGUDIXMGPJJBIJ-FHFPRHJOSA-N	715.848	2.708	0	40	KFAB	
C[C@H](O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCc1cc(=O)oc2cc(Br)ccc12	3417742	IZXOHXMVHFNTAD-JEOXALJRSA-N	530.780	2.980	0	40	KFAB	
CCN(CC)S(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1	3525517	GAPDHMOCINCKEH-GOSISDBHSA-N	514.604	2.699	0	40	KFAB	
CCOCCCN(C(=O)Cn1nnc(-c2ccc(OC)cc2)n1)[C@@H](C(=O)NC1CCCC1)c1ccco1	6600159	YCPGORYHOVBFGM-XMMPIXPASA-N	510.595	2.997	0	40	KFAB	
COc1ccc(NC(=O)CSc2nc(-c3ccccc3F)nc3c2c(=O)n(C)c(=O)n3C)c(OC)c1	8902127	MHLHSUWBAJJXRP-UHFFFAOYSA-N	511.535	2.581	0	40	KFAB	
CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2ccccc2SC)CC1	12526901	CEYKTSVOYWRNLZ-UHFFFAOYSA-N	504.678	2.824	0	40	KFAB	
CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ccccc4OC)CC3)CC2)cc1	13148613	LJJLEFGLMCWWGX-UHFFFAOYSA-N	515.632	2.621	0	40	KFAB	
COc1ccc(CN(Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)Cc2nnnn2C[C@@H]2CCCO2)cc1	57640382	YRWOXBSHBLMZFD-QFIPXVFZSA-N	520.590	2.922	0	40	KFAB	
COc1ccc(-c2coc3cc(O[C@@H]4O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]4OC(C)=O)ccc3c2=O)cc1	59677442	FTCLAIAXKAGMBI-DJLMICKFSA-N	598.557	2.931	0	40	KFAB	biogenic,in-vitro
O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1Cl)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1	59852173	VJIWSDAYMRRBHE-UHFFFAOYSA-N	580.084	2.857	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OC)c3OC)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	100270932	REEALSYYUAZFIG-LJJBLSSYSA-N	554.621	2.841	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1	216277863	XIWVMQGISJLRIN-UHFFFAOYSA-N	544.070	2.861	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)CN(c2ccccc2Oc2ccccc2)S(C)(=O)=O)cc1	224238165	IMXBJAOIXBDOQP-UHFFFAOYSA-N	547.655	2.690	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	260921944	GQXLGKXHIPGMPV-UXHICEINSA-N	506.644	2.813	0	40	KFAB	
COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OCC(N)=O)cc4)c(=O)n32)c(OC)c1	408979496	RDJCNLLDLAEVFM-FSFYKJEYSA-N	584.654	2.755	0	40	KFAB	
COC(=O)c1cccc(NC(=O)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)O)c1	409387184	OEYYLTPWAQDSAP-RRPNLBNLSA-N	667.576	2.815	0	40	KFAB	
Cc1csc(CCCNC(=O)[C@@H]2CC(=O)N3CCC[C@@H]3C(=O)N[C@@H](CC(C)C)COc3ccccc3C(=O)N2)n1	643565084	RZQOGPLMBMIPAO-ACIOBRDBSA-N	569.728	2.603	0	40	KFAB	
COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)OCC(=O)NC[C@@H]3CCCO3)ccc2OC)cc1Cl	17527721	LSBHMVUGUAWAEC-HNNXBMFYSA-N	542.994	2.619	0	40	KFAB	
COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1C(=O)N1CCCC1	22519002	UPZDUHFRNVYGNN-UHFFFAOYSA-N	516.601	2.928	0	40	KFAB	
CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCN(C(=O)OCC)CC3)cc2)sc2c1CCN(C(C)=O)C2	97963508	CRJWEIMSMBFMEU-UHFFFAOYSA-N	592.696	2.545	0	40	KFAB	
NS(=O)(=O)c1ccc(CCNC(=O)CSC2=Nc3ccccc3C3=N[C@@H](CCC(=O)NC4CCCCC4)C(=O)N23)cc1	102746478	MQSHZYILGBIHBO-DEOSSOPVSA-N	610.762	2.614	0	40	KFAB	
Cc1ccc(S(=O)(=O)[C@@H]2NCCN[C@H](S(=O)(=O)c3ccc(C)cc3)[C@H](S(=O)(=O)c3ccc(C)cc3)NCCN[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1	150464721	VHPGQPPILXWUFK-IYMPVJEUSA-N	789.036	2.792	0	40	KFAB	
COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@@H](C)N(c1cc(Cl)ccc1OC)S(C)(=O)=O	216306237	YEGHREUSRRYLAO-CQSZACIVSA-N	534.056	2.837	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222776591	YZWBPYOPUVCENN-LJQANCHMSA-N	538.066	2.683	0	40	KFAB	
CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	222878502	BGJQAVRHKCGQSF-OAQYLSRUSA-N	519.620	2.522	0	40	KFAB	
CCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	223292553	MJASOTJIAGRALB-NDEPHWFRSA-N	551.665	2.993	0	40	KFAB	
CCc1ccccc1N(CC(=O)N(Cc1cccc(Br)c1)[C@@H](C)C(=O)NC)S(C)(=O)=O	225451058	AXPOJNSDLDXPCR-INIZCTEOSA-N	510.454	2.941	0	40	KFAB	
CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	225706871	XFYAZEMIAKCNAZ-OAQYLSRUSA-N	505.637	2.802	0	40	KFAB	
COc1cc([C@@H]2c3cc4c(cc3[C@H](O[C@@H]3O[C@@H]5CO[C@H](c6cccs6)O[C@@H]5[C@H](O)[C@@H]3O)[C@@H]3COC(=O)[C@H]32)OCO4)cc(OC)c1O	253928517	NRUKOCRGYNPUPR-GZGGEQAGSA-N	656.662	2.753	0	40	KFAB	in-vitro
CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(C(=O)CNc5cccc6c5C(=O)N([C@H]5CCC(=O)NC5=O)C6=O)CC4)cn3)nc2n(C2CCCC2)c1=O	1911936305	IWFNIKIERKCKFZ-NDEPHWFRSA-N	760.812	2.718	0	40	KFAB	
O=C(CCCN1CCOCC1)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)CCCN3CCOCC3)cc2)cc1	4958208	CCJKYVZNQVNCTG-UHFFFAOYSA-N	558.701	2.621	0	40	KFAB	
NC(=O)c1nsc(C(=O)N(c2ccccc2F)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)c1N	12473311	VGDWRNONWIHSNH-FOIQADDNSA-N	515.542	2.786	0	40	KFAB	
CC1=C[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2C[C@@H]1n1[nH]c(=O)n(Cc2ccccc2)c1=O	16607215	XIYJHAGDCOPHAY-UFYCRDLUSA-N	509.360	2.846	0	40	KFAB	
COc1ccc(N(CC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)S(=O)(=O)c2cc(C)ccc2OC)cc1	59838017	OAXYTROOXHKBNO-UHFFFAOYSA-N	561.682	2.774	0	40	KFAB	
Cn1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)n1	102920252	KRRUEZMDEARTPV-UHFFFAOYSA-N	547.056	2.686	0	40	KFAB	
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CN(S(C)(=O)=O)c4ccccc4O3)cc2)c(OC)c1	215958059	JIXHDHGXEANJDJ-HSZRJFAPSA-N	547.611	2.670	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	222510660	ULRLOZUUFUKQBX-DEOSSOPVSA-N	557.644	2.995	0	40	KFAB	
C[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O	224484448	AWEZPRHWDMKGIY-INIZCTEOSA-N	614.064	2.729	0	40	KFAB	
COc1ccccc1N1CCN(C[C@H](O)CN2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(C(C)=O)c3ccccc32)CC1	248375975	BSKCHUWGIPJEQQ-WZYUNGOBSA-N	565.670	2.814	0	40	KFAB	
CC(=O)O[C@H]1[C@H](O)CO[C@@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@@H]([C@@]6(C)CC[C@@H](C(C)(C)O)O6)[C@@H](O)C[C@@]3(C)[C@@H]5C[C@H](O[C@H]3OC[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]4C2(C)C)[C@@H]1OC(C)=O	252695037	TZHGYWCJIXHMJK-VCPXSPIXSA-N	839.029	2.505	0	40	KFAB	biogenic
CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccc(I)cc1	408621365	RMXXBDOROJTUKQ-QGZVFWFLSA-N	557.410	2.605	0	40	KFAB	
COc1ccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3cc(C)c(Br)c(C)c3)CC2=O)cc1OC	408671753	UNLVCVPHBJOWFE-INIZCTEOSA-N	548.390	2.758	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\[C@H]3C(=O)NC(=S)N(c4ccc(C)c(C)c4)C3=O)c(=O)n2[C@H]1c1ccc(C)cc1	408830064	XZSIOGJTOGJOGP-AXTOXEIBSA-N	588.711	2.739	0	40	KFAB	
CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(I)c1O	409399921	MARIXORBSJYWCF-QPEQYQDCSA-N	512.256	2.868	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OCCN3CCCCC3)cc2)C[C@@](O)(COc2ccc(F)c(F)c2)C1	585275139	YEITZDQJQKHEHX-LJAQVGFWSA-N	547.643	2.930	0	40	KFAB	
CC(C)C[C@H]1NC(=O)C[C@@H](C(=O)NCCOc2ccc(C(C)C)cc2)NC(=O)c2ccccc2OCCN(C)C1=O	643579057	OHFCNEFFARXRJR-IZZNHLLZSA-N	566.699	2.875	0	40	KFAB	
COc1ccc(/C=C/C(=O)O[C@H](C)C(=O)N2CCCc3ccccc32)cc1S(=O)(=O)N1CCOCC1	3298262	QICSKIHCUJOGQH-FMAYLGMYSA-N	514.600	2.640	0	40	KFAB	
CC(C)C[C@H](C(=O)NC1CCCC1)N(Cc1ccc2c(c1)OCO2)C(=O)c1snc(C(N)=O)c1N	6190454	NKXZWESSZPJHOG-MRXNPFEDSA-N	501.609	2.669	0	40	KFAB	
CCC[C@@H](C(=O)NC1CCCC1)N(C[C@@H]1CCCO1)C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1	6501024	JUDZBBNEVKCSEA-SFTDATJTSA-N	514.627	2.592	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(C[C@H]3CCCO3)[C@H](C(=O)NC[C@@H]3CCCO3)c3ccc(F)cc3)n2)cc1	7060658	ZYIJGJBUZNUTBB-GSLIJJQTSA-N	552.607	2.532	0	40	KFAB	
COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1Cl	9310624	ZSHHLARRPAIYET-FNUHDPNESA-N	512.971	2.996	0	40	KFAB	
O=C(NCCc1nnc2ccc(SCC(=O)N3CCN(c4ccccc4)CC3)nn12)c1ccccc1	9519534	JLRZQNJRHANEOV-UHFFFAOYSA-N	501.616	2.538	0	40	KFAB	
O=c1[nH]c2cc3c(cc2cc1CN(Cc1ccccc1)C(=S)NCCCN1CCOCC1)OCCO3	19940520	PTBJJOXVJDLQEC-UHFFFAOYSA-N	508.644	2.898	0	40	KFAB	
CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1	32999548	JUFOANDJFRXKBR-UHFFFAOYSA-N	524.039	2.708	0	40	KFAB	
CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)/C=C/c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1	97979394	SCPMJYHUEOCPHV-KPKJPENVSA-N	600.115	2.587	0	40	KFAB	
COc1ccc(/C=C2\SC(=O)N(CCNC(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)C2=O)cc1OC	97980314	LELMMVZCQPKHML-NSTHGIQOSA-N	553.593	2.681	0	40	KFAB	
CCOC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(CC)c3ccccc3)cc2)sc2cc(S(N)(=O)=O)ccc21	100877723	DGVVTBIISQSBGY-SGEDCAFJSA-N	602.716	2.870	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O	222422782	YMEKFMGARZVFPH-QGZVFWFLSA-N	510.454	2.995	0	40	KFAB	
CCOC(=O)C1(c2ccc(NC(=O)COc3ccc(S(=O)(=O)N4CCOCC4)cc3C)cc2)CC1	222795083	AOZLIIJIUSRZQE-UHFFFAOYSA-N	502.589	2.628	0	40	KFAB	
CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O	224989979	NLMYGFQEZQPWLE-IBGZPJMESA-N	505.637	2.722	0	40	KFAB	
COc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)C(c3ccccc3)c3ccccc3)C2)c1	408657857	PMNQFHVNUPFHFZ-OAQYLSRUSA-N	501.539	2.889	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/[C@H]3C(=O)N(c4ccccc4)N=C3C)c(=O)n2[C@@H]1c1cccc(OC)c1	409023522	XWZRCALJOGKCGP-ZEUVTLAWSA-N	530.606	2.798	0	40	KFAB	
O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4cc(-c5ccncc5)ccc41)CC[C@@H]3O)N(Cc1ccsc1)C2	514287433	BMFHJWRVIUZIBH-WKRKAGLOSA-N	562.692	2.990	0	40	KFAB	
CC(C)c1nccn1CCC(=O)N1CCCCNC(=O)c2cc(Cl)ccc2OC[C@H](C)NC(=O)C1	643559419	VYSAEXBUXCYZAV-SFHVURJKSA-N	504.031	2.986	0	40	KFAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)c4nn(C)c(C(F)(F)F)c4Br)[C@@H]3SC2)s1	2784624	JEQZXDUZWMVFNC-XPTSAGLGSA-N	599.436	2.506	0	40	KFAB	
CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(Cc4ccccc4)CC3)cc2c1	19940370	XSXVBNBEMWQPQK-RPLLCQBOSA-N	529.645	3.000	0	40	KFAB	
Cc1ccc(NC(=O)[C@@H](C)OC(=O)COc2cccc(C(F)(F)F)c2)cc1S(=O)(=O)N1CCOCC1	72139437	MMUACQFYPOPSBV-MRXNPFEDSA-N	530.521	2.984	0	40	KFAB	
COc1cc2s/c(=N\C(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)n(C)c2cc1OC	101035674	XZEZQXILWQPWPF-IWUPINEMSA-N	505.618	2.796	0	40	KFAB	
COC(=O)c1cc(I)c(Oc2nc(N(C)C)nc(N(C)C)n2)c(I)c1	101179361	ZGTRGHWQZAAIPT-UHFFFAOYSA-N	569.141	2.792	0	40	KFAB	
COC(=O)COc1c(I)cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc1OC	106755720	QFQKDOSEQOMBLE-YBEGLDIGSA-N	574.393	2.900	0	40	KFAB	
CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	225082746	QLEOJCCNDAFZCI-NRFANRHFSA-N	505.637	2.803	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O	225428285	DVEWDNWDOQQVGT-OAHLLOKOSA-N	514.417	2.826	0	40	KFAB	
CCc1noc(CCC(=O)N2CC[C@H](Oc3cccc(Br)c3)[C@@H](CC(=O)N3CCOCC3)C2)n1	257247047	IXDXIQMYLMCZRP-PXNSSMCTSA-N	535.439	2.872	0	40	KFAB	
CCn1c(=O)oc2cc(S(=O)(=O)N3C[C@H](C(=O)NCCc4ccccc4)Oc4ccccc43)ccc21	260743134	NXSLAIWXDRXQJN-XMMPIXPASA-N	507.568	2.930	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(CC(=O)N4CCOCC4)c4ccccc34)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1	409153966	JEERWHSTSORZOL-CCLVUABDSA-N	660.749	2.638	0	40	KFAB	
O=C1COc2ccccc2C[C@H](O)[C@H](O)CC2(CCN(C(=O)c3ccc(OCCN4CCCCC4)cc3)CC2)CN1	643566110	PEUHMEJZBPJGOL-WUFINQPMSA-N	565.711	2.637	0	40	KFAB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C3/C(=O)Nc4ccccc43)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	980622	WBDOVCLYGHGNKE-ZIIZBSPPSA-N	551.580	2.987	0	40	KFAB	
O=S(=O)(NCc1ccco1)c1ccc2c(c1)C(O)c1cc(S(=O)(=O)NCc3ccco3)ccc1-2	3635867	SFIUGJVDLKJRLR-UHFFFAOYSA-N	500.554	2.892	0	40	KFAB	
CCCCOC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@]12C(=O)N(CC(=O)OCC)c1ccccc12	9292168	QAPNDQRGGREXPI-NDEPHWFRSA-N	518.522	2.895	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(S(=O)(=O)N4CCC(C)CC4)ccc3C)CC2)cc1	10289035	MEVBCZDQAGLBLW-UHFFFAOYSA-N	519.689	2.871	0	40	KFAB	
CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O	13716397	RONJQSRKVCUUDS-QFIPXVFZSA-N	509.650	2.508	0	40	KFAB	
CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2c1	22866571	QSHWORJVSDGIQP-QDPGVEIFSA-N	557.655	2.892	0	40	KFAB	
COc1ccc(/C=C2/SC(=O)N(CCNC(=O)[C@@H](NC(=O)c3ccco3)C(C)C)C2=O)cc1OC	33389539	QOKQNNJXCWEAHA-ACSPXDACSA-N	501.561	2.904	0	40	KFAB	
Cc1noc(CCCn2c(=O)c3cc4c(cc3n(CC(=O)Nc3cc(Cl)ccc3C)c2=O)OCO4)n1	62728282	FTSVFXWNGAOJLS-UHFFFAOYSA-N	511.922	2.817	0	40	KFAB	
Cc1ccccc1NC(=O)Cn1nc2n(CC(C)C)c(=O)c3ccc(C(=O)NCC(C)C)cc3n2c1=O	64581234	BKQJNUGLJUJCHJ-UHFFFAOYSA-N	504.591	2.800	0	40	KFAB	
COc1cccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1OC	100468836	WSYWZPASRZWNOI-RUZDIDTESA-N	539.654	2.874	0	40	KFAB	
CN(C)c1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4C[C@H]([C@H]5C(=O)N(CCCC(=O)O)C(=O)[C@H]45)[C@H]23)cc1	101175002	FWPPYSXVNCBZKQ-GXVCDPRBSA-N	513.641	2.841	0	40	KFAB	
COc1ccc(-c2csc(NC(=O)COC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)n2)cc1OC	103113569	YNLCCIHXUJCXOV-UHFFFAOYSA-N	547.611	2.644	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN(c3ccc(F)cc3)S(=O)(=O)c3ccccc3)CC2)cc1	113635137	FLSBAWVLIUEJNA-UHFFFAOYSA-N	531.631	2.863	0	40	KFAB	
CCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(C(C)(C)C)cc3)C2)cc1	138592219	FJRRHYUHJISBSF-LJQANCHMSA-N	509.559	2.836	0	40	KFAB	
CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	224388478	RIICHEVPZOGHIS-NRFANRHFSA-N	501.580	2.836	0	40	KFAB	
CC(C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225697299	BXCNHVCMBZHEJN-OAQYLSRUSA-N	531.675	2.988	0	40	KFAB	
CN(C)c1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)N(CCCC(=O)O)C(=O)[C@H]54)[C@H]23)cc1	245228810	FWPPYSXVNCBZKQ-YYJXCGRLSA-N	513.641	2.841	0	40	KFAB	
CC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4cccc(Cl)c4)C[C@H]3C(=O)NC[C@H]1O2	253406332	UKLMAVSOPNRELW-CFJXPYFLSA-N	555.075	2.618	0	40	KFAB	
CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1OC	408940504	UUMKGCIBJHGWJT-ORVZPOCUSA-N	596.658	2.766	0	40	KFAB	
CC(=O)Nc1ccc(S(=O)(=O)N(c2cc(C)ccn2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	2758425	SDULKFBRNVBSSO-UHFFFAOYSA-N	502.574	2.891	0	40	KFAB	
CCOC(=O)CNc1cnn([C@@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c(=O)n1	8398283	OXYJAFBKBDZTEF-HOLBEBDISA-N	642.621	2.819	0	40	KFAB	
CCN(CC(=O)NCc1ccc(F)cc1)C(=O)CN(C)CC(=O)Nc1ccc(Br)cc1C	12598889	ZGZYQNDHMKFXNT-UHFFFAOYSA-N	507.404	2.932	0	40	KFAB	
O=C(Cn1c(=O)n(CC(=O)NC2CCCC2)c(=O)c2oc3ccccc3c21)NCCCc1ccccc1	72332057	SDUSSUIHITUQAW-UHFFFAOYSA-N	502.571	2.717	0	40	KFAB	
COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)cc1OC	100284294	AAOMFALLFWYTAS-JTSKRJEESA-N	557.604	2.664	0	40	KFAB	
CCOC(=O)c1nn(-c2ccc(C)cc2)c(C)c1C(=O)C1=NO[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12	100354681	HOJHGRUIQMKDNI-WMZHIEFXSA-N	504.474	2.932	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C(C)C)CC2)cc1	102394461	CMKXTCVNOLHUJV-VWLOTQADSA-N	567.712	2.973	0	40	KFAB	
CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	223181037	OREXQFYOFANVOD-LJQANCHMSA-N	510.012	2.778	0	40	KFAB	
COc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1S(=O)(=O)NC1CCCCC1	408679223	VKWAAPZHLOTYQW-UHFFFAOYSA-N	515.632	2.993	0	40	KFAB	
COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(OCC(=O)O)c(OC)c4)c(=O)n32)cc1	408983554	LIWHNWPYCULCGN-RTOMEVGKSA-N	552.605	2.667	0	40	KFAB	
CCOc1cc(C(=S)N2CCOCC2)cc(I)c1OCC(=O)N1CCCC1	409263519	HKIFSYBRDOVALG-UHFFFAOYSA-N	504.390	2.699	0	40	KFAB	
O=C([C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	409389335	OPAMGYVIVXHQTD-IBGZPJMESA-N	550.475	2.923	0	40	KFAB	
CC(=O)N[C@@H]1[C@H](Sc2nnc(COc3ccc(C)cc3)n2-c2ccccc2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	504259640	BAOWBHPLHKZFJM-AHHSGJDGSA-N	626.688	2.903	0	40	KFAB	biogenic
COc1ccc(CN2CCN(C(C)=O)C[C@@](O)(COc3ccc(F)cc3)C2)cc1OCCn1cccn1	585280828	TVJANRIZQLVRDL-HHHXNRCGSA-N	512.582	2.584	0	40	KFAB	
CCCN1C(=O)/C(=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(C)N=3)c2ccccc21	2058852	HRUCEDCSMWWGBS-UGUGFTGJSA-N	517.607	2.934	0	40	KFAB	
COc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)/C=C/c3cccs3)cc2)nc(OC)n1	6038752	JTOUKPQOCNSCSW-JXMROGBWSA-N	505.603	2.883	0	40	KFAB	
COc1cccc(N(C(=O)Cn2nnc(-c3ccc(OC)c(OC)c3)n2)[C@@H](C)C(=O)NCCC(C)C)c1	6134366	SJMLKGSGBPSOAS-SFHVURJKSA-N	510.595	2.950	0	40	KFAB	
Cc1cccc(N2CCN([C@@H](c3cc4cc5c(cc4[nH]c3=O)OCO5)c3nnnn3C[C@H]3CCCO3)CC2)c1C	6443000	WMLKWPMPBCLKHJ-ZBLYBZFDSA-N	543.628	2.951	0	40	KFAB	
CCOc1cc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)cc(OCC)c1OCC	9721068	AEUSUHGZTHAFNQ-UHFFFAOYSA-N	509.606	2.834	0	40	KFAB	
Cc1ccc(C)c(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(O)cc2)c1	12473997	IDOWGFVJUFVHLU-AVRDEDQJSA-N	523.615	2.830	0	40	KFAB	
COC(=O)c1ccc(N(C(=O)CNC(=O)c2ccco2)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(OC)c(OC)c2)cc1	38145968	AYDXLKZVIKXOTA-AMGIVPHBSA-N	579.606	2.883	0	40	KFAB	
O=C1NC(=O)[C@@](Cc2ccc3c(c2)OCO3)(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)C(=O)N1Cc1ccccc1	70669825	GKDPYYRXPNPYPJ-IKBQMQIHSA-N	554.603	2.504	0	40	KFAB	biogenic
COc1ccc2cc([C@@]3(C)NC(=O)N(CC(=O)N4CCN(S(=O)(=O)c5ccc(F)c(Cl)c5)CC4)C3=O)ccc2c1	102896369	GEIHOGLECRWRIB-HHHXNRCGSA-N	589.045	2.941	0	40	KFAB	
C[C@H](C(=O)NCCO)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1	222710097	LMMKBWQYCBTLQW-LJQANCHMSA-N	529.590	2.531	0	40	KFAB	
COc1ccc(OC)c(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c1	222877868	MWBYXIAVNFXDOL-KRWDZBQOSA-N	523.627	2.941	0	40	KFAB	
CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C	222879717	FKHLUZMEXPMDJB-QHCPKHFHSA-N	504.653	2.640	0	40	KFAB	
CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O	223213842	HGDGITCYGCYZMN-SFHVURJKSA-N	514.417	2.908	0	40	KFAB	
C[C@@H]1CCCN(Cc2ccc(C(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)C1	224471747	UQPXSSNPHBLPIZ-OAQYLSRUSA-N	501.649	2.748	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1	225466467	AKAFPOISFPZQHU-AWEZNQCLSA-N	516.845	2.886	0	40	KFAB	
COc1ccc(CN(C(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)C)cc1	225679970	UAUOGYAQZPQISA-FQEVSTJZSA-N	547.674	2.955	0	40	KFAB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)cc1S(=O)(=O)N1CCN(C)CC1	225717990	STULBHVUFMZFPM-UHFFFAOYSA-N	524.690	2.689	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N(CC(=O)NCCSc2ncn[nH]2)Cc2ccccc2)cc1Cl	226068145	SIXKDJFAKRSKQR-UHFFFAOYSA-N	510.041	2.956	0	40	KFAB	
C[C@]1(O)CN(CC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)CC[C@@H]1Oc1cccc(F)c1	257211496	BZBHWMOWADDADL-ZCYQVOJMSA-N	505.612	2.843	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/[C@@H]3C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)c(=O)n2[C@H]1c1ccc(C)cc1	408834677	UYZBVYFZORVSJU-AELYXXMESA-N	595.102	2.776	0	40	KFAB	
COC(=O)c1ccccc1NC(=O)[C@@H](OC(=O)c1cccc(OC)c1)[C@@H](OC(=O)c1cccc(OC)c1)C(=O)O	409377690	KLEACQVDEPBNKM-XZOQPEGZSA-N	551.504	2.965	0	40	KFAB	
CS(=O)(=O)N1CCN(Cc2cccnc2)C[C@@H](C(=O)N2CCC3(CCCCCc4ccccc4OCCNC3=O)CC2)C1	643559278	APNBZZICTJEGKS-MUUNZHRXSA-N	611.809	2.696	0	40	KFAB	
COc1ccc(CCC(=O)N2CCCCC3(CCN(Cc4ccccn4)CC3)C(=O)OC[C@@H](O)[C@@H](O)CC2)c(OC)c1OC	643578380	AZSHSLQEJVHBNC-RRPNLBNLSA-N	613.752	2.990	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)Cc2ccc(F)cc2)cc1	1333339	BQVJFRGDJBPIEE-UHFFFAOYSA-N	505.593	2.906	0	40	KFAB	
COc1ccc(OC)c2sc(N3CCN(C(=O)[C@H]4CCCN4S(=O)(=O)c4cccs4)CC3)nc12	10187115	IPCXVQXTLOUAIT-OAHLLOKOSA-N	522.674	2.877	0	40	KFAB	
CC(=O)Nc1ccc2c(COC(=O)c3cccc(S(=O)(=O)N4C[C@H](C)O[C@H](C)C4)c3)cc(=O)oc2c1	14359522	LKLPMXCJEWPJKY-IYBDPMFKSA-N	514.556	2.906	0	40	KFAB	
COCCn1nnnc1[C@H](c1cc2cc(C)c(C)cc2[nH]c1=O)N1CCN(c2ccccc2OC)CC1	19973224	SIWSMODEQUTHHG-VWLOTQADSA-N	503.607	2.698	0	40	KFAB	
COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1	59838431	DYOYGBSWRVEBMJ-DEOSSOPVSA-N	608.138	2.576	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)cc1	59838744	MIEKWUVGHAGCKK-UHFFFAOYSA-N	535.688	2.587	0	40	KFAB	
COc1cc2c(=O)n(Cc3ccc(C(=O)N4CCCC4)cc3)c(=O)n(CC(=O)N3CCCCCC3)c2cc1OC	102524178	VGONAVWCCDJJNM-UHFFFAOYSA-N	548.640	2.867	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	222467275	OLXMYTXHPXHYIO-UWJYYQICSA-N	501.605	2.562	0	40	KFAB	
COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3)s2)c1	223515782	WJAZSLJYMTVNGR-UHFFFAOYSA-N	510.937	2.818	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(OCCNS(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2)cc1	224273625	ILBSCVOXXSKXMD-UHFFFAOYSA-N	547.680	2.719	0	40	KFAB	
CCOc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	224439490	NYOJZMNKWMVTAR-UHFFFAOYSA-N	617.746	2.805	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCN(Cc2cccc(Cl)c2)CC1	224478534	SSBHXSHDBKYCDS-UHFFFAOYSA-N	522.067	2.768	0	40	KFAB	
CO[C@@H](C)C(=O)Oc1cc2c(=O)c(-c3ccc(C[C@H](OC)C(=O)O)cc3)coc2cc1OC(=O)[C@@H](C)OC	263583681	SWGAGWGEWZSBAK-AQKDONEWSA-N	528.510	2.983	0	40	KFAB	
CCOc1cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)c(Br)cc1OCC(=O)OC	409108082	RSBWKTGZPKWORC-MIJYTDESSA-N	502.339	2.997	0	40	KFAB	
Cc1noc(C)c1S(=O)(=O)NCCC(=O)N1CCC2(CCCCCc3ccccc3OCCNC2=O)CC1	643565891	MJGLHPPSXOZTHO-UHFFFAOYSA-N	546.690	2.880	0	40	KFAB	
CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)NCc2ccc(CN3CCCCC3)cc2)NC(=O)c2ccccc2OCCN(C)C1=O	643566306	WQNOANBXHBEVKB-NSOVKSMOSA-N	591.753	2.859	0	40	KFAB	
CN1C(=O)[C@H](Cc2ccccc2)NC(=O)CC[C@@H](C(=O)NCCc2cnccn2)NC(=O)c2ccccc2OC[C@H]1Cc1ccccc1	643569601	LLYIFUYIWODEPD-GHPAMLPFSA-N	648.764	2.904	0	40	KFAB	
COC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C)c4ccccc43)c(=O)n2[C@H]1c1ccc(OC(=O)c2ccco2)cc1	1809217	PUWJMKNYVGZTEJ-FEYWKWKCSA-N	555.568	2.567	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(=O)O)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	2049462	BFUBIQJLLTXLHN-ZRELAVNMSA-N	508.552	2.514	0	40	KFAB	
COCCn1nnnc1[C@@H](c1cc2cc(OC)ccc2[nH]c1=O)N1CCN(c2nc3ccccc3s2)CC1	6239104	NWLUGUUGQFYQRC-HSZRJFAPSA-N	532.630	2.691	0	40	KFAB	
CCOc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccc(C)o1	6631426	DIENBFODNYDARM-BTYIYWSLSA-N	527.603	2.808	0	40	KFAB	
C[C@H](O)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)OCC(=O)Nc1ccccc1OC(F)F	13128954	YYOBTGFSJFWORY-LHSJRXKWSA-N	508.499	2.651	0	40	KFAB	
COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)S(C)(=O)=O)cc1OC	20060958	IMTUWBWLCPHURH-UHFFFAOYSA-N	519.601	2.909	0	40	KFAB	
CC[C@H](SC1=Nc2ccccc2C2=N[C@H](CCC(=O)NCc3ccco3)C(=O)N12)C(=O)NCCCOC	20642947	QKOVIKMAYVQOFX-RTWAWAEBSA-N	525.631	2.999	0	40	KFAB	
Cc1cc(N(CC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)ccc1Br	22365092	BYEDYXTXDMUFFR-AWEZNQCLSA-N	503.440	2.804	0	40	KFAB	
COc1cccc(NC(=O)CN(C)C(=O)c2ccc(NC(=O)C[C@H]3SC(N4CCCC4)=NC3=O)cc2)c1	32735840	HOUHEVHMHPBHES-OAQYLSRUSA-N	523.615	2.828	0	40	KFAB	
CCOC(=O)C1CCN([C@H](c2cc3cc4c(cc3[nH]c2=O)OCO4)c2nnnn2Cc2ccccc2)CC1	57595163	YZTFLVSZDAVNEI-XMMPIXPASA-N	516.558	2.656	0	40	KFAB	
O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)NCc1ccc(S(=O)(=O)N2CCCC2)cc1	59851764	WCDGQRGYFCPVBS-UHFFFAOYSA-N	543.667	2.645	0	40	KFAB	
CCn1c(Cn2nnc(-c3ccccc3)n2)nnc1SCC(=O)Nc1nonc1-c1nc2ccccc2n1C	100226668	WIMHGVGVWDEQHC-UHFFFAOYSA-N	542.589	2.667	0	40	KFAB	
COc1ccc(C[C@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1OC	100472000	KOTWTUIYGLEYQV-NRFANRHFSA-N	557.591	2.739	0	40	KFAB	
COc1ccc(NS(=O)(=O)c2cc(NC(=O)CN3C(=O)N[C@]4(CCc5ccccc54)C3=O)ccc2OC)cc1	102994191	UJAPJXHSORGJIR-MHZLTWQESA-N	550.593	2.837	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	222748738	BAYUREULSUFSMU-CQSZACIVSA-N	532.446	2.940	0	40	KFAB	
CCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	224292680	LASLFZVZFJSENS-LJQANCHMSA-N	510.012	2.778	0	40	KFAB	
Cc1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1S(=O)(=O)Nc1ccccc1	224452828	MYALZYXOLYMYCG-UHFFFAOYSA-N	559.666	2.626	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	225222696	AACLBXDQUSCVLU-QZTJIDSGSA-N	523.627	2.941	0	40	KFAB	
COc1ccc(C(=O)N2[C@H]3CCCC[C@H]3NC(=O)[C@H]2CC(=O)N2CCN(Cc3ccccc3)CC2)cc1	226397645	CNSVAGWINDSHCL-UODIDJSMSA-N	504.631	2.682	0	40	KFAB	
O=C(C[C@]1(COc2cccc(Cl)c2)CCCN(C(=O)CN2CCCCCC2=O)C1)N1CCOCC1	257246852	IWCIZKPXUISWEY-AREMUKBSSA-N	506.043	2.979	0	40	KFAB	
COc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc(I)c1OCc1ccc(F)cc1	408594175	SRTRTBYJJMRHSZ-VIZOYTHASA-N	526.258	2.995	0	40	KFAB	
CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3ccc(I)o3)c2=O)=N1	409046907	SGAVGBCAIZGRIX-VHUCWBOISA-N	520.348	2.996	0	40	KFAB	
CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(I)c(OCC(=O)O)c(OC)c2)C1=O	409230233	XQIUTHFHSYKDDD-RQZCQDPDSA-N	579.347	2.857	0	40	KFAB	
O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)NCCN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O	524731366	UJCJHZBDODYSTF-HNMNOHOESA-N	537.620	2.589	0	40	KFAB	biogenic
O=C1NCCOCc2cn(nn2)CCCCC12CCN(C(=O)C1(c3cccc(F)c3)CCOCC1)CC2	643563945	MMRPSMUZDJDXMX-UHFFFAOYSA-N	513.614	2.591	0	40	KFAB	
CS(=O)(=O)N1CCCN(Cc2ccccc2)CCN(C(=O)c2cnc(N3CCOCC3)nc2)Cc2ccccc21	643588522	YKDSGLDMZVQGAZ-UHFFFAOYSA-N	564.712	2.628	0	40	KFAB	
CCCCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCC(C)C)CC(=O)N[C@@H](Cc2ccccc2)C1=O	643913393	VLPXZJYSFCMTAC-DQEYMECFSA-N	536.673	2.696	0	40	KFAB	
CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(N4CCCS4(=O)=O)cc3)CC2)cc1	12700205	SASCWISWDQNMKF-IBGZPJMESA-N	505.662	2.887	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)n(C)c(=O)n4C)c(=O)n2[C@@H]1c1ccc(Cl)cc1	16682452	XYSUCPKJTCYZEX-WVWKGNOCSA-N	523.014	2.642	0	40	KFAB	
COc1cccc(N(CC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)S(=O)(=O)c2cc(C)ccc2OC)c1	59838048	RJOBXKFKJKQKAC-UHFFFAOYSA-N	561.682	2.774	0	40	KFAB	
Cc1cccn2c(=O)c3c(nc12)N1CCc2ccccc2[C@H]1[C@]1(C3)C(=O)NC(=O)N(CCc2ccccc2)C1=O	97955828	RBGHWCNEXVXEIV-QXNWPYRLSA-N	533.588	2.970	0	40	KFAB	
O=C(c1ccccc1)N1CCN(CC[C@@H](O)COc2ccc(OC[C@H](O)CCN3CCN(C(=O)c4ccccc4)CC3)cc2)CC1	102448208	JIDZGGPXUDKLPQ-ROJLCIKYSA-N	630.786	2.862	0	40	KFAB	
CCN(C(=O)CSc1nnc(-c2nn(Cc3ccccc3)c(=O)c3ccccc23)o1)[C@H]1CCS(=O)(=O)C1	103137530	DPIBFRLUDUQOBZ-SFHVURJKSA-N	539.639	2.623	0	40	KFAB	
Cn1c([C@@H](C(=O)NC[C@H]2CCCO2)N(Cc2ccc3c(c2)OCO3)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)nc2ccccc21	150384291	KUTRYFNHFDSVRM-PBBNMVCDSA-N	645.694	2.512	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21	223152925	MJUUKNNVWIGJOK-UHFFFAOYSA-N	535.688	2.642	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	225440468	LOQIDMVWMBWQQU-RBUKOAKNSA-N	503.621	2.556	0	40	KFAB	
COCCCNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(Br)cc3)cc2)C1	408575662	FGGBDVXREVZHST-INIZCTEOSA-N	504.381	2.972	0	40	KFAB	
CN(C)c1cccc(C(=O)N2CCCCC3(CCN(Cc4ccncc4)CC3)C(=O)OC[C@@H](O)[C@@H](O)CC2)c1	643577972	JVHVVXDJZHHVCO-RRPNLBNLSA-N	538.689	2.711	0	40	KFAB	
CN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2C=CCOc2ccccc2CN(Cc2cccnc2)CC3=O)CC1	958317915	ZRHGJWBOJVZNCT-UIOOFZCWSA-N	517.674	2.661	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccccc43)c(=O)n2[C@@H]1c1ccc(Br)cc1	2697457	MBCGLJODMDMKAX-LAFOYAEKSA-N	524.396	2.883	0	40	KFAB	
Cc1ccccc1CCN(C(=O)CN1C(=O)c2ccccc2S1(=O)=O)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccncc1	8690348	JIVNFXQYTYXBKT-CUBQBAPOSA-N	576.675	2.642	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OC)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	9348740	RMFQTRVRIOZJRM-AFHVAHMMSA-N	508.552	2.544	0	40	KFAB	
CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)sc2c1CCN(C(=O)OCC)C2	9391483	BRLIGYBTHQHHDJ-UHFFFAOYSA-N	509.606	2.942	0	40	KFAB	
Cc1cc(OCC(=O)N[C@@H](CSCc2ccccc2)C(=O)NCCCO)c2c3c(c(=O)oc2c1)CCC3	9410169	JSMXEDAVUKYGAV-QFIPXVFZSA-N	524.639	2.886	0	40	KFAB	
CCOCCCNC(=O)[C@H](c1ccc(Cl)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)CNC(C)=O	9720352	PJWCRDQQMFOPJT-DEOSSOPVSA-N	503.983	2.818	0	40	KFAB	
CCOC(=O)CN(C(=O)c1ccc(CN2CCOCC2)o1)[C@H](C(=O)NC(C)(C)C)c1ccc(F)cc1	19825760	DMWQDTLXDLOJQL-QHCPKHFHSA-N	503.571	2.912	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O	20491128	FSCKBHBBYRJIMF-SFHVURJKSA-N	509.650	2.890	0	40	KFAB	
CCS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)Oc2ccccc21	26112785	PCOBDFDKPAPYEO-QFIPXVFZSA-N	507.634	2.807	0	40	KFAB	
CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)CC1	70687031	RNOHRPQDCWPFEO-UIOOFZCWSA-N	600.763	2.927	0	40	KFAB	biogenic
O=C(/C=C/c1ccc2c(c1)OCO2)N[C@@H](Cc1ccccc1)C(=O)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2	100743890	OFRNWTDWTVXBMH-GJJUBYQCSA-N	511.578	2.964	0	40	KFAB	biogenic
CCOC(=O)C1=C(C)C2[C@H]3C(=O)N(c4ccc(C(=O)OC)cc4)C(=O)[C@@H]3C1(C)[C@@H]1C(=O)N(c3ccc(C(=O)OC)cc3)C(=O)[C@H]21	103552323	DIKARTHLYAVYHG-XGTGVSJPSA-N	614.607	2.701	0	40	KFAB	
C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Br)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	224140280	ORTCGSKCOCLDBD-OAHLLOKOSA-N	536.448	2.926	0	40	KFAB	
COc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1Br	224301391	DKPYITNSIJBYLY-UHFFFAOYSA-N	519.439	2.600	0	40	KFAB	
O=C(C[C@H]1CN(C(=O)CN2CCCCCC2=O)CC[C@@H]1Oc1cccc(Br)c1)N1CCOCC1	257328977	XHWVQZBSFHSQFZ-UGKGYDQZSA-N	536.467	2.697	0	40	KFAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(O)c3)c(=O)n2[C@H]1c1ccccc1OC	409095609	IJOPSAFOCQPNMO-NLZIUFDSSA-N	507.612	2.826	0	40	KFAB	
COc1cccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C4/C(=O)Nc5ccc(C)cc54)c(=O)n32)c1	409117242	XDZKYPVVVHCXLT-HOGKFDNTSA-N	503.580	2.826	0	40	KFAB	
CC(=O)N(C)CCC[C@H]1C(=O)N(C)CCCCC2(CCN(C(=O)CCn3ccnc3C(C)C)CC2)COCC(=O)N1C	643560390	VSGNHPNTDSTIID-SANMLTNESA-N	588.794	2.750	0	40	KFAB	
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	2060999610	QOMBXPYXWGTFNR-YQCAKPCJSA-N	767.010	2.953	0	40	KFAB	
COCCN(C(=O)c1cccc(OCc2c(C)noc2C)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	3431122	SSYTZAWUFBKVFB-UHFFFAOYSA-N	519.558	2.644	0	40	KFAB	
COc1ccccc1N1CCN(C(=O)[C@H]2CN3CC[C@H]2C[C@@H]3Cn2cc(-c3cccc(N)c3)nn2)CC1	8254436	BQICZXSOXHCUPJ-ZTCOLXNVSA-N	501.635	2.595	0	40	KFAB	biogenic,in-vitro
O=C1NC(=O)[C@]2(Cc3c(nc4ccccn4c3=O)N3CCCCC[C@@H]32)C(=O)N1Cc1ccccc1Cl	16975324	ZQLAGGCXZCOZRF-NIYFSFCBSA-N	505.962	2.918	0	40	KFAB	
CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1	20047205	DPPFYEDEXKCXOJ-LJQANCHMSA-N	502.014	2.536	0	40	KFAB	
COCCn1nnnc1[C@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)N1CCN(c2cccc(C)c2C)CC1	20084100	MFECIYLARAPVGT-SANMLTNESA-N	533.633	2.707	0	40	KFAB	
COc1ccc(N(C[C@@H](O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)S(C)(=O)=O)cc1	26920517	FDBUVUAETSBUOW-HXUWFJFHSA-N	520.629	2.726	0	40	KFAB	
Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)O[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O	97980024	RTLFGPZMADZHIX-LTFCCEMQSA-N	562.048	2.586	0	40	KFAB	
CCOC(=O)C1=C(CSc2nc3cc(S(N)(=O)=O)ccc3n2CC)NC(=O)N[C@@H]1c1ccc(OC)cc1	97982569	UXVNXLSSZXIOFS-OAQYLSRUSA-N	545.643	2.676	0	40	KFAB	
NC(=O)c1cc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Br)s3)cc2)cc(C(N)=O)c1	102993196	DHLMTWXMMXCRKF-UHFFFAOYSA-N	523.390	2.762	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)CC2)cc1	103013022	ZZCGTXHJAWRZNO-UHFFFAOYSA-N	536.657	2.992	0	40	KFAB	
COc1ccc(N([C@H](C)C(=O)Nc2cc(S(=O)(=O)NC(C)C)ccc2OC)S(C)(=O)=O)cc1Cl	140028411	UHAULDBYMAPWGK-CQSZACIVSA-N	534.056	2.837	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O	223074363	AVDLZWDMPFVLIP-INIZCTEOSA-N	536.448	2.927	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1	225466430	AKAFPOISFPZQHU-CQSZACIVSA-N	516.845	2.886	0	40	KFAB	
Cc1n[nH]c(C)c1CC(=O)N1CC[C@H](Oc2cccc(Br)c2)[C@@H](CC(=O)N2CCOCC2)C1	257331495	XTCKRUKZUVUAFN-AVRDEDQJSA-N	519.440	2.877	0	40	KFAB	
C[C@@H](C(=O)NC[C@H]1CCCO1)N(Cc1ccc(Cl)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O	260927207	NTQKBFOADCTUPW-WMZHIEFXSA-N	522.067	2.814	0	40	KFAB	
COc1cc(/C=C2/NC(=O)N(C)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1	409194228	PHRFNWOWWXBJHL-OVCLIPMQSA-N	525.274	2.979	0	40	KFAB	
CC(=O)N1CCN(CC2(O)CCN(c3ccccc3F)CC2)C[C@](O)(COc2ccc(F)c(C)c2)C1	585283062	PFVHNAIMXJQRLL-HHHXNRCGSA-N	503.590	2.579	0	40	KFAB	
CC(C)C[C@H]1NC(=O)C[C@@H](C(=O)NCCc2ccccc2F)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC1=O	643575413	DZONDTFKWPMSLT-AYQJTBPPSA-N	673.786	2.830	0	40	KFAB	
COc1cccc([C@@H]2[C@@H](C(C)C)CN(C(C)=O)C[C@H](OC)[C@@H](O)[C@@H](O)COCCCCN2C(=O)CSc2ncccn2)c1	643913171	IRUWQOXYDDGZBK-VOXZARHYSA-N	618.797	2.815	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1	8425847	QYHSZHFLXCDOKQ-DJTCXORXSA-N	580.615	2.666	0	40	KFAB	
COCCCNC(=O)CSC1=Nc2ccccc2C2=N[C@H](CCC(=O)NCc3ccc(OC)cc3)C(=O)N12	8608863	PGLAPLIBNPUOKE-JOCHJYFZSA-N	537.642	2.636	0	40	KFAB	
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)CC1	9159501	IIKCMKCRKPOKIY-PMACEKPBSA-N	507.653	2.684	0	40	KFAB	
Cc1cc(C)cc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)S(C)(=O)=O)c1	20045343	JOPBQWFVFYXFNI-UHFFFAOYSA-N	503.606	2.607	0	40	KFAB	
CCOc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(S(=O)(=O)N(CC)CC)cc3)C2=O)cc1	32811073	GCYGHCIDRVKXFX-XMMPIXPASA-N	502.593	2.522	0	40	KFAB	
COc1ccc(NC(=O)CSc2ccc3nnc(CCNS(=O)(=O)c4ccc(C)cc4)n3n2)cc1OC	100928566	YAIDSJZSCPLLHF-UHFFFAOYSA-N	542.643	2.702	0	40	KFAB	
COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)cc2)cc1	113634018	BJHWPUUQJZYCEV-UHFFFAOYSA-N	543.667	2.975	0	40	KFAB	
COc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1S(=O)(=O)N1CCCCC1	223735950	VSHKTMGUNXTCKQ-UHFFFAOYSA-N	519.645	2.970	0	40	KFAB	
C[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O	224331928	RZYKHXFCDASILB-QGZVFWFLSA-N	563.620	2.840	0	40	KFAB	
COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)N(CCCC(=O)O)C(=O)[C@@H]54)[C@H]23)cc1	248251849	PVTXWLUCAKHKQB-GDAHHVIVSA-N	500.598	2.783	0	40	KFAB	
CS(=O)(=O)N(CCc1ccccc1)CC(=O)N1C[C@H](C(=O)NCc2ccccc2)Oc2ccccc21	260830756	RLCQXEBLCIXKKY-RUZDIDTESA-N	507.612	2.601	0	40	KFAB	
O=S1(=O)C[C@@H]2[C@H](C1)N(Cc1ccccc1Cl)[C@@H]1CS(=O)(=O)C[C@@H]1N2Cc1ccccc1Cl	575422809	WNPBCUJBFLHKAV-ZDNVTZCJSA-N	515.484	2.642	0	40	KFAB	
CCOC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC(C)(C)C	1857780970	YKJIFEBOGOUTGD-YTTGMZPUSA-N	743.851	2.878	0	40	KFAB	
O=S(=O)(c1ccc(OC[C@H](O)CN2CCCCC2)cc1)c1ccc(OC[C@H](O)CN2CCCCC2)cc1	726064	WDDDEGWQAMRTDL-DNQXCXABSA-N	532.703	2.971	0	40	KFAB	
O=C(NC12CC3CC(CC(C3)C1)C2)[C@H](c1csnn1)N(C(=O)CN1C(=O)c2ccccc2C1=O)C1CC1	8748719	QHSUPHHYZBPWSP-TVQFERKRSA-N	519.627	2.951	0	40	KFAB	
Cc1ccc(N(CC(=O)NC2CCCCC2)C(=O)C[S@](=O)CC(=O)Nc2ccc3c(c2)OCO3)cc1	12710119	YVDHBSPDDJDNKT-BHVANESWSA-N	513.616	2.893	0	40	KFAB	
COc1ccc(CCN2C(=O)[C@@H]3[C@@H](Cc4ccc(O)cc4)N[C@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)cc1OC	70704882	IYZRVZXYQAVOMV-SHJMPOBASA-N	545.567	2.754	0	40	KFAB	biogenic
CCOc1ccc2c(c1)s/c(=N\C(=O)c1ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc1)n2CC(=O)OC	100877143	DYSGUCQDFUQVNN-KZIUFBKBSA-N	547.655	2.814	0	40	KFAB	
COc1ccccc1CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(C)S(C)(=O)=O	223187672	OSXRJYPVGXEDGF-VWLOTQADSA-N	541.645	2.982	0	40	KFAB	
CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O	223224279	ZCAJHVJZURADFJ-HXUWFJFHSA-N	507.584	2.654	0	40	KFAB	
CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	223655318	IXWUSSKCTDLNET-OAQYLSRUSA-N	533.647	2.912	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	223956864	KTFTUGKMGYZFOH-OAHLLOKOSA-N	522.421	2.537	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CCCN(c1ccccc1C)S(C)(=O)=O	224439742	OZYZXSCDZMPHOI-UHFFFAOYSA-N	509.650	2.973	0	40	KFAB	
CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	225082801	QLOUIEFZTJJQON-OAQYLSRUSA-N	505.637	2.803	0	40	KFAB	
COc1ccc(-c2noc(CNS(=O)(=O)c3nnc(NC(=O)c4ccc(Cl)cc4)s3)n2)cc1	225585092	GACPBPLSYIXEFM-UHFFFAOYSA-N	506.953	2.981	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O	260946099	JHZLDLLUGOUVMJ-OALUTQOASA-N	517.648	2.996	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1	408827815	KVQDYNJECWHWGG-BLJGQIRFSA-N	536.606	2.667	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)c(=O)n2[C@H]1c1ccccc1Cl	409019471	ZHCLPGOAHKGTKH-WWFXOLRUSA-N	612.104	2.698	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)OC)c(I)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409043382	MCBYHWDWTQIZFO-YCLJBNKMSA-N	750.564	2.905	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OC)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	628811	JWUXXVDOKRZOOI-CVGPFBNFSA-N	524.595	2.833	0	40	KFAB	
O=C(Nc1ccccc1)c1c(O)n(-c2ccccc2)n[n+]1C[C@@H](O)CN1CCN(c2cccc(Cl)c2)CC1	8752143	ACOWTIIKOJVOMX-VWLOTQADSA-O	534.040	2.954	0	40	KFAB	
Cc1ccc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2c1	22871823	PQUMJXRAUZEYGH-AMGIVPHBSA-N	543.628	2.638	0	40	KFAB	
CC(=O)Nc1c(I)c(C(=O)O)c(I)c(C(=O)O)c1I	60150748	MYWMLEMKOKPNAP-UHFFFAOYSA-N	600.872	2.855	0	40	KFAB	
COCCN(C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	103091760	XRLHOSXEIJUXPU-UHFFFAOYSA-N	620.638	2.916	0	40	KFAB	
CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4C[C@H]5C[C@H](C4)c4cccc(=O)n4C5)ccc3OCC)nc12	104087873	STQIWWNMIGLZGK-QZTJIDSGSA-N	564.668	2.645	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCc1ccc(CN2CCCCC2)cc1	224537793	LSLZTEKBJGUSBZ-UHFFFAOYSA-N	515.676	2.951	0	40	KFAB	
CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	224538950	HTMMVCZRCVKHKH-OAQYLSRUSA-N	503.621	2.761	0	40	KFAB	
CC(C)=CCC[C@](C)(O)[C@H]1CC[C@@]2(C)[C@@H]3C[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@H]12	247821335	GSQSHJKCFFWWFN-FHKPSIGFSA-N	624.856	2.906	0	40	KFAB	
COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)C1	260707655	ASGDARLEVVZAHJ-FQEVSTJZSA-N	570.133	2.893	0	40	KFAB	
COCCNC(=O)[C@H](Cc1cc(I)c(O)c(I)c1)NC(=O)OC(C)(C)C	409334841	IWRBHEKUFNFMKD-ZDUSSCGKSA-N	590.196	2.800	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OC)c(OCCCn3cc(C)cn3)c2)C[C@](O)(COc2ccccc2)C1	585280837	TWVYVTAOPDMNHL-SSEXGKCCSA-N	552.672	2.770	0	40	KFAB	
Cc1nc(S(=O)(=O)N2CCC(N3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)CC2)cn1C	618256615	KAOBJDCSRWGVHN-UHFFFAOYSA-N	506.982	2.771	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC(COc3ccccc3)(CC(=O)N3CCN(C)CC3)CC2)cc1	2037905446	ICRQYUIQCBJZMB-UHFFFAOYSA-N	501.649	2.709	0	40	KFAB	
Nc1nc2c(ncn2[C@@H]2O[C@@H](COC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)c(=O)[nH]1	4917374	WZRBAVDJTYIQBI-HZMCFHPPSA-N	595.568	2.907	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OC)cc3OC)c(=O)n2[C@@H]1c1cccs1	8451787	IAZLRWOKJOUXIZ-ZNQKWNQWSA-N	500.598	2.886	0	40	KFAB	
O=C(COC(=O)CCC(=O)c1cccs1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl	8829703	TXACISHFEZVCGF-UHFFFAOYSA-N	500.982	2.567	0	40	KFAB	
CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)OCC(=O)NC(=O)Nc1ccc2c(c1)OCCO2	13129309	CIBIBXAQSQXLSK-GOSISDBHSA-N	501.561	2.509	0	40	KFAB	
COc1cc([C@H]2[C@H](C(C)=O)N3N=Cc4ccccc4[C@H]3C23C(=O)OC(C)(C)OC3=O)ccc1OC(C)=O	13510731	VESUMBFJRABQSF-VABKMULXSA-N	506.511	2.889	0	40	KFAB	
Cc1cc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2cc1C	22870162	LKOZNGZAISLSIB-FIPFOOKPSA-N	557.655	2.946	0	40	KFAB	
CC1CCN(S(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)CC1	59851985	JTRDWDIIUPEQMF-UHFFFAOYSA-N	535.688	2.587	0	40	KFAB	
CCOC(=O)/C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(=O)[C@@H](NC(=O)c1cc(C)on1)C(C)C)Cc1ccc(F)cc1	85548369	CAYJBRBGZBCZKO-QXZAZXEDSA-N	598.672	2.825	0	40	KFAB	
CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	225181275	IYEMZYQRZNPUGC-OAQYLSRUSA-N	503.621	2.823	0	40	KFAB	
COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]2[C@H]2C[C@H]3[C@@H]3C(=O)N(CCCC(=O)O)C(=O)[C@@H]23)cc1OC	245235942	OYHUVFMUVOPDKA-NZUHJSBYSA-N	530.624	2.792	0	40	KFAB	
CCCN1C[C@@H](O)CNS(=O)(=O)c2ccc(-c3cccc(C(F)(F)F)c3)cc2OC[C@]2(C[C@H](O)[C@H](O)C2)C1	253395339	BUNKVVXUZCMTNT-FUCAVZNHSA-N	558.619	2.618	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1	408985906	NXRHPPSMCJLXMW-DKOMQPSQSA-N	584.647	2.850	0	40	KFAB	
CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)NCCOc2ccc(C(C)C)cc2)NC(=O)c2ccccc2OCCN(C)C1=O	643579059	OHFCNEFFARXRJR-UIOOFZCWSA-N	566.699	2.875	0	40	KFAB	
C[C@@H](C(=O)OCC(=O)Nc1ccc(F)cc1)N1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccc(F)cc3)cc2C1=O	4352820	IQUYVVXJHYXRLY-HNNXBMFYSA-N	565.485	2.927	0	40	KFAB	
COCCNC(=O)CSc1nc2cc3c(cc2c(=O)n1CCCCCC(=O)NCCc1ccc(OC)c(OC)c1)OCO3	8673765	NICHJXWRNSDSOM-UHFFFAOYSA-N	614.721	2.916	0	40	KFAB	
CCc1nnc(NS(=O)(=O)c2ccc(NC(=S)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)cc2)s1	9158205	GPHLENMXGCVMEY-LSDHHAIUSA-N	516.674	2.879	0	40	KFAB	
COc1ccc(-c2csc(NC(=O)COC(=O)c3cccc(S(=O)(=O)N(C)C)c3)n2)cc1OC	13147946	SJVIVWRUPZVAHG-UHFFFAOYSA-N	505.574	2.873	0	40	KFAB	
COc1cc(Cc2nccc3cc(OC)c(OC)cc23)c(NC(=O)c2cc(=O)n(C)c(=O)n2C)cc1OC	15108749	LUOWATONTQLNKU-UHFFFAOYSA-N	520.542	2.510	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(N4CCOCC4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1	100225788	HNSJNPVKILRWJK-FGGAIWKESA-N	588.480	2.999	0	40	KFAB	
CCOC(=O)c1nn(-c2ccc(C)cc2)c(C)c1C(=O)C1=NO[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@H]12	100354670	FVVAQUCXNHYOMY-HYBUGGRVSA-N	516.510	2.802	0	40	KFAB	
COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc(I)c1OCC(=O)O	106757899	RUMSBBYRXDHMEG-DHDCSXOGSA-N	560.366	2.812	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	222855587	MBMFFNXXMLUJMI-SANMLTNESA-N	569.680	2.865	0	40	KFAB	
COC(=O)C[C@H](c1oc(CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc(=O)c1O)c1coc2ccc(OC)cc2c1=O	257198555	CGKBWSRNYLRRNW-UEXGIBASSA-N	574.586	2.936	0	40	KFAB	
CC(C)c1nc2cc(C(=O)N3CCC4(CC3)C[C@@](C)(O)[C@H](n3cnc5c(N)ncnc53)CO4)ccc2[nH]1	257328313	XFCGVESXQLTDEW-KBMIEXCESA-N	504.595	2.796	0	40	KFAB	
CCOC(=O)COc1c(Cl)cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc1OC	409235345	OVSREVXIJNDNSK-LICLKQGHSA-N	517.922	2.831	0	40	KFAB	
COC(=O)C[C@H](c1ccc(OCc2nccn2C)c(OC)c1)c1c(O)cc(C)n(CCc2cnc[nH]2)c1=O	604419064	RPXHVNBOEZULMO-HXUWFJFHSA-N	521.574	2.844	0	40	KFAB	
CC(C)[C@@H](c1nnnn1Cc1ccc(F)cc1)N(CCO)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3	4391172	HDZJQSJKRHWTFY-DEOSSOPVSA-N	508.554	2.665	0	40	KFAB	
CCn1c(SCC(=O)N2c3ccccc3NC(=O)C2(C)C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	6153578	SDJOSTPUNDOXDH-UHFFFAOYSA-N	543.671	2.933	0	40	KFAB	
COc1ccc(NC(=O)c2cc(S(N)(=O)=O)ccc2OC)cc1NS(=O)(=O)c1ccc(F)cc1	13129859	BALYITBDQNMYNW-UHFFFAOYSA-N	509.537	2.543	0	40	KFAB	
CCN(C[C@@H](O)COc1ccc(C(C)(C)C)cc1)C[C@@H](O)CN(CCc1ccccc1)S(=O)(=O)O	13739550	HJVDSESDCWSWKY-DNQXCXABSA-N	508.681	2.754	0	40	KFAB	
Cc1cc(C)cc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)S(C)(=O)=O)c1	20493371	OPAZAFCJSQHJSI-GOSISDBHSA-N	517.633	2.996	0	40	KFAB	
CN(C)[C@@H](CNC(=O)c1cc(S(=O)(=O)NCCCN2CCCC2=O)ccc1Cl)c1ccccc1	25395399	SRDDOOLIBBRFAD-QFIPXVFZSA-N	507.056	2.664	0	40	KFAB	
CCCCNC1=C(C(=O)N2CCOCC2)C(=N)[C@@H](C(=O)Nc2sc3c(c2C(=O)OC)CCC3)S1	95536754	MFPFENXUYSJMDR-SFHVURJKSA-N	506.650	2.557	0	40	KFAB	
O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C12C[C@H]3C[C@H](C1)CC(n1cnc(Cl)n1)(C3)C2	102834219	RUDDIZJMSKPGHV-TWVWUCKLSA-N	506.028	2.887	0	40	KFAB	
CSCC[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1	103020975	GTMNZRYLKVEVKS-OAQYLSRUSA-N	553.753	2.834	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	225368397	YJYLHDNBCAFFDQ-RBUKOAKNSA-N	533.647	2.912	0	40	KFAB	
CCC(=O)OCCC(=O)O[C@@H]1[C@@H](N(C)C)C[C@@H](C)O[C@@H]1O[C@@H]1[C@@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[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@@]1(C)O	253387796	OZJXTWMDBPQRGI-FLHBILQXSA-N	862.064	2.680	0	40	KFAB	
CCc1cc(Br)ccc1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2C)C1	408663474	YJZSWMUMBXXGIG-INIZCTEOSA-N	502.365	2.995	0	40	KFAB	
O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1	408696072	ZQRDEOMZBYPOFC-UHFFFAOYSA-N	542.079	2.541	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\Nc3ccc(C(=O)O)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	408865716	DRCSIEFXULVCIB-WLJFKGHSSA-N	523.567	2.535	0	40	KFAB	
COC(=O)COc1ccc(Br)cc1/C=C1/NC(=O)N(CC(=O)Nc2cccc(C)c2)C1=O	409085459	CZLPAMDMWAYPPY-LICLKQGHSA-N	502.321	2.841	0	40	KFAB	
COc1ccc(CCCNC(=O)[C@@H]2CC(=O)N[C@@H](C)C(=O)N(C)[C@@H](Cc3ccccc3)COc3ccccc3C(=O)N2)cc1OC	643566597	UXYVRSPGHWBCCG-WSHBGFIESA-N	630.742	2.908	0	40	KFAB	
CCOc1ccc(CCCNC(=O)[C@@H]2CC(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C)COc3ccccc3C(=O)N2)cc1OC	643573625	SVBDFYXHABRFDR-BEKQSKLNSA-N	681.831	2.510	0	40	KFAB	
COc1ccc(OCCNC(=O)[C@@H]2CCC(=O)NC3(CCCC3)C(=O)N[C@@H](C(C)C)COc3ccccc3C(=O)N2)cc1	643577059	BXXYKICATPBUTG-IZZNHLLZSA-N	594.709	2.731	0	40	KFAB	
Cc1ccc(OCCNC(=O)[C@@H]2CCC(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)CCOc3ccccc3C(=O)N2)c(C)c1	643579874	GUZFZBJFDYXFAR-NSOVKSMOSA-N	600.716	2.956	0	40	KFAB	
COc1cccc([C@@H]2[C@@H](C(C)C)CN(C(C)=O)C[C@H](OC)[C@@H](O)[C@@H](O)COCCCCN2Cc2cn[nH]c2)c1	643913457	YNBPQGJRMNEHHN-LLQHYSMESA-N	546.709	2.630	0	40	KFAB	
COC(=O)c1c(NC(=O)COC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)sc2c1CCC2	2642350	GNXKIMGVTZUFHH-FQEVSTJZSA-N	508.618	2.817	0	40	KFAB	
Cc1ccc(C)c(N2CCN([C@H](c3cc4cc5c(cc4[nH]c3=O)OCO5)c3nnnn3C[C@H]3CCCO3)CC2)c1	6195888	FBRVWZQKWAQBSG-JIPXPUAJSA-N	543.628	2.951	0	40	KFAB	
CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1	13014145	FOZYPEYXSOHFNY-UHFFFAOYSA-N	508.666	2.820	0	40	KFAB	
O=C(COC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	104533170	XSZXRAZHMXIUBW-TWVWUCKLSA-N	541.464	2.923	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	222594088	RRJLLUBPVGDDNW-DENIHFKCSA-N	517.648	2.946	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O	222795912	BJQTTYJINRBJMR-HNNXBMFYSA-N	501.527	2.643	0	40	KFAB	
COc1ccc(CNC(=O)[C@H](c2ccccc2)N(Cc2ccccc2)C(=O)CN(C)S(C)(=O)=O)cc1	223330911	NPKUVEAVUGEWEV-SANMLTNESA-N	509.628	2.973	0	40	KFAB	
Cc1ccccc1CN(C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C	224128300	GPVBPUNEIDZUEA-IBGZPJMESA-N	503.621	2.679	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCC2)cc1	260750996	AXQOEPHGEJJGFH-LJQANCHMSA-N	545.658	2.709	0	40	KFAB	
C[C@H](Oc1ccc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1)C(=O)N1CCOCC1	408611970	XPRYQVCGSGJPIG-SFHVURJKSA-N	527.565	2.842	0	40	KFAB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(OC)c(OC)c(OC)c4)c(=O)n32)cc1OCC	408932156	BEDTVUOMJZEPTF-XKKBFUJGSA-N	554.621	2.841	0	40	KFAB	
COCC(=O)N1CCN(Cc2cccc(OCCCn3cccn3)c2)C[C@](O)(COc2ccc(C)cc2)C1	585275009	TVZOKSGLZGAJRD-GDLZYMKVSA-N	522.646	2.761	0	40	KFAB	
COCCOCC(=O)Oc1ccc(-c2coc3cc(OC(=O)COCCOC)c(OC)cc3c2=O)cc1	2061000503	KHQVYHNBHYCOSP-UHFFFAOYSA-N	516.499	2.605	0	40	KFAB	
CCN(CC)S(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1	3525515	GAPDHMOCINCKEH-SFHVURJKSA-N	514.604	2.699	0	40	KFAB	
O=S(=O)(NCCCN1CCN(CCCNS(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1	22789541	VXQJRKJFZWJGAT-UHFFFAOYSA-N	549.546	2.648	0	40	KFAB	
CCCCNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)N[C@H](C)CC)c2=O)cc1	35427900	LXAACKSWTKSSCP-GOSISDBHSA-N	524.618	2.673	0	40	KFAB	
CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)/C=C/c2ccc(OC)cc2OC)CC1	38140434	ANVSBTBGCLEXLC-UXBLZVDNSA-N	544.674	2.519	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	222560176	QPAVQXKWKAATPH-RUZDIDTESA-N	557.644	2.995	0	40	KFAB	
CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	224197248	BDYRXXPQRLGHTN-NRFANRHFSA-N	505.637	2.722	0	40	KFAB	
CCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O	225372226	ZVNQRQLVJBRWAG-HSZRJFAPSA-N	505.637	2.803	0	40	KFAB	
COC(=O)c1cc(NC(=O)C[C@@H]2C(=O)N[C@@H]3CCCC[C@@H]3N2C(=O)c2ccccc2OC)cc(C(=O)OC)c1	226851281	JLLAAUQOIIXJFF-BHIFYINESA-N	537.569	2.549	0	40	KFAB	
CCOC(=O)c1ccc(NC(=O)COc2cccc(/C=c3\sc4nc(-c5ccncc5)nn4c3=O)c2)cc1	256055283	ATMYIQKPEJGSDZ-JCMHNJIXSA-N	527.562	2.955	0	40	KFAB	
COc1ccc(OC)c(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)c1	408685230	KZYPJIWYICBABS-DRYSZXNESA-N	506.555	2.828	0	40	KFAB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(C(=O)O)cc4)c(=O)n32)cc1OCC	408932701	DPXNJLGLYAYQJT-BYUJNSPJSA-N	508.552	2.514	0	40	KFAB	
COc1ccc(OC)c([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C4/C(=O)N(C)c5ccccc54)c(=O)n32)c1	409112970	HKUMLLGTBVGIOO-ZHHPLPSFSA-N	533.606	2.551	0	40	KFAB	
CCc1nccn1CCOc1ccc(CN2CCN(C(=O)COC)C[C@](O)(COc3ccc(F)cc3)C2)cc1OC	585271504	IENWTOSRGHBITG-PMERELPUSA-N	570.662	2.773	0	40	KFAB	
Cc1cc(OC[C@]2(CC(=O)N3CCN(C)CC3)CN(C(=O)Cn3cc(C(F)(F)F)cn3)CCO2)ccc1Cl	585287069	SEJGUTWHFVVQFJ-DEOSSOPVSA-N	558.001	2.704	0	40	KFAB	
CC(=O)OC[C@H]1O[C@@H](Sc2ccccc2)[C@H](N2C(=O)c3ccccc3C2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	8497631	FEYKFHMOACOSBF-HDXRJONQSA-N	527.551	2.595	0	40	KFAB	
CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(S(=O)(=O)N(C)OC)c3)CC2)cc1	13098540	HCDWDACWMYSRIQ-GOSISDBHSA-N	509.650	2.529	0	40	KFAB	
CCOC(=O)N1CCN(C(=O)COc2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)CC1	22232295	LUBGJLVALQYSQM-UHFFFAOYSA-N	510.012	2.986	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O	22519255	BJBXQZGCEWLIPX-UHFFFAOYSA-N	520.004	2.677	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(N4CCOCC4)o3)c(=O)n2[C@H]1c1ccccc1OC	100654866	PSSKWJHHOIHPJJ-FGGAIWKESA-N	588.480	2.999	0	40	KFAB	
CC[C@H](Sc1nc2cc3c(cc2c(=O)n1CCCC(=O)NCc1ccc2c(c1)OCO2)OCO3)C(=O)N1CCOCC1	102755693	FJJCWUVEQLEGJB-VWLOTQADSA-N	596.662	2.680	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2cccc(C(C)=O)c2)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C)c1	224438810	LQBRALHAYSHKIM-IBGZPJMESA-N	517.648	2.853	0	40	KFAB	
O=S1(=O)NC[C@H](O)CN(CC2CCCCC2)C[C@]2(COc3cc(-c4ccccc4F)ccc31)C[C@H](O)[C@H](O)C2	253395090	BPBHIPLGFQCKGP-OLAVNICZSA-N	562.704	2.909	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C)c4ccc(Br)cc43)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	409122573	ZSVDMTDOGYUYID-VFJWVMJUSA-N	598.475	2.925	0	40	KFAB	
O=S1(=O)C[C@@H](O)[C@@H](N(c2ccccc2)S(=O)(=O)c2cc(Br)ccc2Br)C1	575421241	HLSLLBXJVPUAPV-LSDHHAIUSA-N	525.240	2.565	0	40	KFAB	
O=C1C[C@@H](C(=O)NCc2ccc(CN3CCOCC3)cc2)NC(=O)c2ccccc2OC[C@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)N1	643566026	ORQPYWNRVBCIMO-FNTODRPOSA-N	692.817	2.916	0	40	KFAB	
CC(C)[C@@H]1NC(=O)CC[C@@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)NC(=O)c2ccccc2OCCN(C)C1=O	643569244	PVHRWQVAVKDEMC-LSYYVWMOSA-N	596.700	2.561	0	40	KFAB	
CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(Cc5cn(CCOCCNc6cccc7c6C(=O)N([C@H]6CCC(=O)NC6=O)C7=O)nn5)CC4)cn3)nc2n(C2CCCC2)c1=O	1775937488	PACRWHUPEPCFHX-UMSFTDKQSA-N	871.960	3.000	0	40	KFAB	
N[C@@H](CCC(=O)N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(F)cc1)C(=O)NCC(=O)O)C(=O)O	5082427	AQDIITWOJJRZMU-ZEQRLZLVSA-N	567.639	2.729	0	40	KFAB	
COCCNC(=O)[C@H](c1ccc2ncccc2c1)N(Cc1cccs1)C(=O)c1snc(C(N)=O)c1N	6136219	QSGLOOMOPFGNSV-FQEVSTJZSA-N	524.628	2.580	0	40	KFAB	
CCOc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCCOC)c2ccc(F)cc2)cc1	6600966	YSTVDGAFASBYMH-FQEVSTJZSA-N	515.567	2.513	0	40	KFAB	
C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)[C@@H]1C	8670940	CJQSLBHAGYUEPH-TXTKFYIRSA-N	521.680	2.796	0	40	KFAB	
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCC(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)CC1	8917994	CRHNACJTEUDXNS-VXKWHMMOSA-N	512.607	2.918	0	40	KFAB	biogenic
COc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccc(C)cc1	59647493	LVGSJCMUOYMXQR-UHFFFAOYSA-N	559.666	2.859	0	40	KFAB	
O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1	59838671	QGDLPUZMLBHTFP-DEOSSOPVSA-N	557.694	2.578	0	40	KFAB	
COc1ccc(NC(=O)Cn2c(=O)ncc3cc(S(=O)(=O)N4CCCC[C@H]4C)ccc32)c(OC)c1	71772538	GUCXSPSPYWVEBZ-MRXNPFEDSA-N	500.577	2.616	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	223501609	VNTOXKMPUSMOQK-IBGZPJMESA-N	522.643	2.781	0	40	KFAB	
COC(=O)[C@@H]1CN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c2ccccc2O1	226010891	JRSNCUNKIMAAGA-VWLOTQADSA-N	540.594	2.862	0	40	KFAB	
O=C(COc1ccc(S(=O)(=O)N2CCCCCC2)cc1)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1	226086240	HGQFUYKWYAQGSJ-UHFFFAOYSA-N	549.715	2.774	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCCOc3ccc(S(=O)(=O)N4CCCC4)cc3)Oc3ccccc32)cc1	260886067	DBUCHMWRUOAYJE-HHHXNRCGSA-N	585.704	2.931	0	40	KFAB	
COc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)cc1OC	260923496	IIDNZMZQHPEXFZ-GOSISDBHSA-N	523.627	2.798	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	260980970	OCCCSJXTDHDUOO-UGKGYDQZSA-N	517.648	2.946	0	40	KFAB	
COc1ccc(NC(=O)[C@@H](OC(=O)c2ccccc2Cl)[C@@H](OC(=O)c2ccccc2Cl)C(=O)O)nn1	409382860	WRFWBVTVVPFUPI-RBUKOAKNSA-N	534.308	3.266	0	40	KFAB	
CCOc1ccc(CCCNC(=O)[C@@H]2CC(=O)N[C@@H](CC(C)C)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1OC	643565536	IXYFADMQTKEUCJ-DQEYMECFSA-N	596.725	2.713	0	40	KFAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCOc2ccc(C)cc2)CC(=O)N[C@H](Cc2ccccc2)C1=O	643579005	NNMAUOTUEZQVQI-WUFINQPMSA-N	586.689	2.647	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC(C)=O)c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1	1306433	OKDKPSFKJVWIJI-IGSWSUAKSA-N	520.563	2.649	0	40	KFAB	
COC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)sc2c1CCN(C(C)=O)C2	3007247	IGRSAKQIYKQAMS-UHFFFAOYSA-N	505.618	2.866	0	40	KFAB	
CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(CC)CC)cc3)c2C(N)=O)C1	4177830	HZVBXOOEEALZLZ-UHFFFAOYSA-N	508.622	2.644	0	40	KFAB	
CCC(C)(C)NC(=O)[C@@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCO2	6462059	DYILXENXSPGOPQ-HXUWFJFHSA-N	525.587	2.951	0	40	KFAB	
COC(=O)Cc1c(C)c2ccc(OCC(=O)N3Cc4[nH]c5ccccc5c4C[C@H]3C(=O)OC)cc2oc1=O	12662091	GBYBBTSUQZANQP-QHCPKHFHSA-N	518.522	2.804	0	40	KFAB	biogenic
COc1ccc(CCN(Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)Cc2nnnn2C[C@H]2CCCO2)cc1OC	100368627	SPUQIPWXSXURGO-JOCHJYFZSA-N	564.643	2.973	0	40	KFAB	
COc1ccc(NS(=O)(=O)c2ccc(O)c(C(=O)OCC(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)c2)cc1	102921944	CKJFWGHOHDVVGA-UHFFFAOYSA-N	589.648	2.782	0	40	KFAB	
O=C(NCc1ccc(Cl)cc1)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	222411559	QTHGHEKXMFLEPO-HSZRJFAPSA-N	534.059	2.720	0	40	KFAB	
Cc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1	224211660	YNDFSYMNIBIUKE-UHFFFAOYSA-N	549.646	2.775	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	225392910	ICGZLURJWONPHW-RTBURBONSA-N	535.663	2.810	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C	225563186	CFNJYRSSNAQLKF-SANMLTNESA-N	522.671	2.994	0	40	KFAB	
COc1ccc(OC)c(S(=O)(=O)N2CCC[C@](COc3ccccc3)(CC(=O)N3CCN(C)CC3)C2)c1	257303480	SHKYRRNWJRYKLM-MHZLTWQESA-N	531.675	2.718	0	40	KFAB	
CCOc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc(I)c1OCC(=O)Nc1ccccc1	408595207	VZDKJQVTLDDWIN-CXUHLZMHSA-N	565.320	2.685	0	40	KFAB	
CCOC(=O)N1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)CC1	408597685	VUTQBJJLFXDXSS-HXUWFJFHSA-N	524.437	2.639	0	40	KFAB	
COc1ccc(OC)c(N(CC(=O)N2CC(=O)Nc3ccccc32)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	408621137	OFKXHUYOAXWRDO-UHFFFAOYSA-N	541.582	2.902	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\Nc3cccc(C(=O)O)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1	408876716	QINOMLFWZURXFF-WLJFKGHSSA-N	507.568	2.835	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/[C@H]3C(=O)N(c4ccccc4)N=C3C)c(=O)n2[C@@H]1c1cccs1	409023841	JWYHQWKJJIWQLY-NCAKCNDRSA-N	506.609	2.850	0	40	KFAB	
COc1cc(CN2CCN(C(C)=O)C[C@@](O)(COc3ccc(F)cc3)C2)ccc1OCCCn1ccnc1	585280746	SBABQZSMOAHDEV-MUUNZHRXSA-N	526.609	2.974	0	40	KFAB	
CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(Cc5cn(CCOCCNc6cccc7c6C(=O)N([C@@H]6CCC(=O)NC6=O)C7=O)nn5)CC4)cn3)nc2n(C2CCCC2)c1=O	1775937489	PACRWHUPEPCFHX-UUWRZZSWSA-N	871.960	3.000	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OC)c(OCCCn3ccnc3C)c2)C[C@@](O)(COc2ccc(F)cc2)C1	2037931634	MYRHPBUMRBPTLA-PMERELPUSA-N	570.662	2.909	0	40	KFAB	
CC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3)c2C(N)=O)C1	3007303	VRRMJKLCTDFGSU-AWEZNQCLSA-N	504.634	2.567	0	40	KFAB	
Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)OCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc12	3401253	SIJDJAULLXLQEV-UHFFFAOYSA-N	516.576	2.698	0	40	KFAB	
O=C1C[C@@H]2C(=O)N(Cc3ccccc3)[C@H]1[C@H](S(=O)(=O)c1ccccc1)[C@@H]2S(=O)(=O)c1ccccc1	5886257	UOFCHJLYOPATKG-QVQNZMNRSA-N	509.605	2.671	0	40	KFAB	
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](CCC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(N)=O	6134939	OQCSRTHUMNABCZ-GIWBLDEGSA-N	548.681	2.560	0	40	KFAB	
O=C1Nc2ccc(-c3ccc4c(c3)OCO4)cc2C(=O)N2C[C@@H](NS(=O)(=O)c3ccc(F)cc3)C[C@@H]12	8299378	PGYVQNSDAOOCCF-UWJYYQICSA-N	509.515	2.735	0	40	KFAB	biogenic,in-vitro
CCN(CC)S(=O)(=O)c1cc(NC(=O)CNc2cccc(S(=O)(=O)N3CCCC3)c2)ccc1C	24766490	LKOUCLURENXPOO-UHFFFAOYSA-N	508.666	2.861	0	40	KFAB	
CCOc1ccc(N2C[C@H](C(=O)N3CCN(C(=O)[C@@H]4CC(=O)N(c5ccc(OCC)cc5)C4)CC3)CC2=O)cc1	29747520	NOFPPOLQUWXPFN-FGZHOGPDSA-N	548.640	2.561	0	40	KFAB	
CCN(C(=O)COC(=O)CCOc1ccc(C(C)(C)C)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	32666498	CCOOVBATAAPYDF-UHFFFAOYSA-N	522.602	2.830	0	40	KFAB	
COc1ccc(CN(C)C(=O)[C@@H](CCSC)NS(=O)(=O)c2ccc3c(c2)OCCO3)c(OC)c1OC	95570840	VGWIBJPJBQWBAZ-GOSISDBHSA-N	540.660	2.542	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(CCC(=O)N2C[C@H](C(=O)NCc3ccccc3)Oc3ccccc32)cc1	222881756	HTSPFVWODOAVLE-RUZDIDTESA-N	507.612	2.980	0	40	KFAB	
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	253534463	NEBPBFLVSYFRQE-MPELDTMRSA-N	822.986	2.789	0	40	KFAB	biogenic
COc1ccc(N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)cc1OC	260858617	ARJJLAOSQNECBA-HXUWFJFHSA-N	519.664	2.702	0	40	KFAB	
COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccc(F)cc1	408585418	DEGQVBXZXSOASB-UHFFFAOYSA-N	507.565	2.624	0	40	KFAB	
CC(=O)Nc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(Cl)c(Cl)c3)C2)cc1	408652230	FYJAIZDXBGQUOX-CQSZACIVSA-N	507.330	2.627	0	40	KFAB	
Cc1ncc(C(=O)N2CCCCC3(CCN(Cc4ccccc4)CC3)C(=O)OC[C@@H](O)[C@@H](O)CC2)c(C)n1	643578508	FHVKBGWTNREPGZ-IZZNHLLZSA-N	524.662	2.657	0	40	KFAB	
C[C@@H]1O[C@H](O[C@@H]2CCCC3=CC[C@@H]4[C@H](CC[C@]5(C)[C@H]4C[C@H]4O[C@@]6(CC[C@@H](C)CO6)[C@H](C)[C@H]45)[C@@]32C)[C@@H](O)[C@@](O)(O[C@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O	2060997166	YSAIEUUBBXPLJH-QWPKNIRFSA-N	722.913	2.738	0	40	KFAB	
Cc1cc(NC(=O)CSC2=Nc3ccccc3C3=N[C@H](CC(=O)NCc4ccccc4)C(=O)N23)n[nH]1	2968168	QEBLOHVLEYESDP-LJQANCHMSA-N	501.572	2.755	0	40	KFAB	
O=C(COC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1)NCc1ccccc1Cl	3226797	LOBZKUYYDRCTSY-UHFFFAOYSA-N	531.812	2.597	0	40	KFAB	
COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)c1C	3378734	MTPSCOXIDACXDL-AWEZNQCLSA-N	540.554	2.817	0	40	KFAB	
CCOC(=O)CN(C(=O)Cn1nnc(-c2ccccc2F)n1)[C@@H](C(=O)NC1CCCCC1)c1ccco1	6546333	JZJOLNGQRRVVNW-HSZRJFAPSA-N	512.542	2.654	0	40	KFAB	
COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(Cc2ccco2)C(=O)CNC(=O)c2ccco2)cc1OC	12485585	HTDCNYSXNWOXKA-DFBJGRDBSA-N	525.558	2.685	0	40	KFAB	
COc1ccc(/C=C/C(=O)N[C@H](C(=O)OCC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)C(C)C)cc1	12598894	QKEKUQOAQYCWJT-BULTVDLSSA-N	528.627	2.988	0	40	KFAB	
CCc1cc2c(=O)c(-c3nc(C)cs3)coc2cc1O[C@H](C)C(=O)N[C@H](CC(C)C)C(=O)NCC(N)=O	12654136	YQCYGLFYPYLVLC-DNVCBOLYSA-N	528.631	2.687	0	40	KFAB	biogenic
CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)c1	103041930	CWESFNDIHDFEHG-UHFFFAOYSA-N	535.669	2.775	0	40	KFAB	
COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@@H](C(=O)NCc2ccccc2OC)c2ccccc2)cc1	223539290	HPPBUQDZBDNCGO-HHHXNRCGSA-N	539.654	2.982	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)[C@H]2CCCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)C2)cc1	224232586	HLGRZBZCYUMJEV-KRWDZBQOSA-N	578.540	2.981	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225476554	OCCCSJXTDHDUOO-DENIHFKCSA-N	517.648	2.946	0	40	KFAB	
CNS(=O)(=O)c1ccc(C)c(NC(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c1	226073659	FBBYGKCCMPRGAN-UHFFFAOYSA-N	530.466	2.705	0	40	KFAB	
COCCO[C@@H]1[C@@H](n2ccc(=O)[nH]c2=O)O[C@H](COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)[C@H]1O	230402826	YVYKKLNOXPCFGC-JIBNBMRDSA-N	604.656	2.852	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/[C@@H]3C(=O)N(c4ccccc4)N=C3C)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	409022321	JYIMUEXVLZHGMG-QPPKVDSDSA-N	560.632	2.806	0	40	KFAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC	409095915	BRWFSMLRPHUJCW-NLZIUFDSSA-N	507.612	2.826	0	40	KFAB	
COc1cccc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c1OCC(=O)Nc1ccc(F)cc1	409144754	PSVOWCJSIMFHCL-DEDYPNTBSA-N	529.546	2.747	0	40	KFAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)N4CCOCC4)cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1	409153480	LVDJITKFENOYTQ-QPWQWLJXSA-N	609.148	2.995	0	40	KFAB	
CCn1c(CNC(=O)c2ccccc2C)nnc1SCC(=O)Nc1cccc(C(=O)N2CCOCC2)c1	409351799	ZGAIYSLXSKCUIL-UHFFFAOYSA-N	522.631	2.740	0	40	KFAB	
CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OC)n2c(s/c(=C3/C(=O)N(CC(=O)OCC)c4ccccc43)c2=O)=N1	409385662	BYRNRYVXUPLDDY-DHJMZRGKSA-N	589.670	2.867	0	40	KFAB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(O[C@H](C)C(=O)O)c(I)c3)C2=O)o1	409398035	BFWZIEZASFOHSY-DOQDJBIESA-N	540.266	2.616	0	40	KFAB	
COc1cc([C@@H](CC(=O)NCCCC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c2oc(C)cc(=O)c2O)ccc1O	604405964	VAUDDVGMUVSUSW-BAGYTPMASA-N	577.634	2.594	0	40	KFAB	biogenic
O=C1CN(C(=O)CCCn2cncn2)CCCCNC(=O)c2cc(Cl)ccc2OC[C@H](Cc2ccccc2)N1	643558940	HOITXASCPVFAMM-QHCPKHFHSA-N	553.063	2.870	0	40	KFAB	
CCOc1ccccc1NC(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1C	883762	RXXAFUULUBZEOM-UHFFFAOYSA-N	517.633	2.633	0	40	KFAB	
CN(C(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	3252212	PBKWTPQGYDLYDT-UHFFFAOYSA-N	529.582	2.763	0	40	KFAB	
CC(=O)Nc1ccc(N2C(=O)c3ccc(C(=O)N4CCN(S(=O)(=O)c5cccs5)CC4)cc3C2=O)cc1	3372300	VTWFHFRATGOXSO-UHFFFAOYSA-N	538.607	2.654	0	40	KFAB	
CC(=O)Nc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCc2ccc(S(N)(=O)=O)cc2)cc1	3440100	MDULEIVHCAWNNA-UHFFFAOYSA-N	551.650	2.976	0	40	KFAB	
CCCCOC(=O)[C@H](C)OC(=O)[C@H](C)OC(=O)CCCCC(=O)O[C@@H](C)C(=O)O[C@@H](C)C(=O)OCCCC	4896102	VSCKCJFDUFVCNU-MUGJNUQGSA-N	546.610	2.960	0	40	KFAB	
CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)N1CCN(C(=O)c2ccco2)CC1	6149098	WXAWCPNLNLCUJS-HSZRJFAPSA-N	535.605	2.817	0	40	KFAB	
COc1ccc(-c2nc3scc(CCNS(=O)(=O)c4ccc5c(c4)OCCO5)n3n2)cc1OC	8601497	KIZGGKRMPHINPS-UHFFFAOYSA-N	502.574	2.767	0	40	KFAB	
O=C(Nc1cc(C(F)(F)F)ccc1OCC(F)(F)F)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1	16044987	AHCCJGQFLONAGE-NSHDSACASA-N	501.405	2.751	0	40	KFAB	
COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O	20110312	VCEYCDKMHHLDAO-CQSZACIVSA-N	504.030	2.829	0	40	KFAB	
COc1ccc(N(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)S(=O)(=O)c2cc(C)ccc2OC)cc1Cl	59838028	GXPFNPVSYOPWJF-UHFFFAOYSA-N	568.073	2.825	0	40	KFAB	
CCOC(=O)C1=C(C)n2c(s/c(=C/c3ccc(OC)c(OC)c3OC)c2=O)=N[C@@H]1c1ccc(O)c(OC)c1	100093270	BFRUDPMIOHTLAP-WVWKGNOCSA-N	540.594	2.647	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc4c(cc3Cl)OCO4)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	101953268	YAXLPTWBQVZUTB-WXXWBPKISA-N	526.954	2.909	0	40	KFAB	
O=C(Nc1nnc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)s1)c1ccccc1	222930021	UWTLPQYIHZXORW-UHFFFAOYSA-N	507.619	2.766	0	40	KFAB	
C[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	223115459	TXQJYKVSLVOZOJ-GOSISDBHSA-N	503.621	2.556	0	40	KFAB	
CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O	223437413	LZAZGLCOXOKYTE-HXUWFJFHSA-N	573.453	2.619	0	40	KFAB	
Cc1ccc(C)c(N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)N(C)C)c1	225692454	WTNYUZLRKGOUBG-QFIPXVFZSA-N	502.681	2.901	0	40	KFAB	
COC(=O)[C@]1(CCSC)N[C@H](c2ccc(OC)cc2OC)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21	245230691	WVBQHKKDSUDZBV-FBROZUCGSA-N	502.564	2.958	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCCC4)cc3)c(=O)n2[C@H]1c1cccc(OC)c1	409156272	NIXLFHINMZWZJX-WWFXOLRUSA-N	561.660	2.808	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(CCNC(=O)[C@@H]2CCC(=O)NCCCCCOc3ccc(Cl)cc3C(=O)N2)cc1	643570516	CWLCPPISNYUQBS-QHCPKHFHSA-N	579.119	2.507	0	40	KFAB	
Nc1ncnc2c1nc(SCc1nc3ccccc3c(=O)n1-c1cccc(C(F)(F)F)c1)n2C[C@H](O)CO	3021149	FIIAZOPWCFCQAW-HNNXBMFYSA-N	543.531	2.772	0	40	KFAB	
O=C(NC(=S)Nc1cccc(-c2nnc3n2CCCCC3)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1	3256736	ZWGBVLVWGSSDKR-UHFFFAOYSA-N	540.671	2.819	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(Cc3ccc4c(c3)OCO4)[C@H](C(=O)NC[C@H]3CCCO3)c3ccco3)n2)cc1	7060730	ADJGNOQRSAYVFB-AMGIVPHBSA-N	574.594	2.736	0	40	KFAB	
COc1cc(C(=O)OCC(=O)c2cc(C)n(C[C@H]3CCCO3)c2C)ccc1OCC(=O)N1CCOCC1	12533308	IAUYJOXOOCICAX-OAQYLSRUSA-N	514.575	2.570	0	40	KFAB	
CC(C)c1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(c3ccc(Cl)cc3)CC2)cc1	20803121	VNJZGFSTYVVJCF-DEOSSOPVSA-N	512.054	2.941	0	40	KFAB	
Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)c1	59838291	GUZOFSWSWDEUEV-MHZLTWQESA-N	585.748	2.839	0	40	KFAB	
C[C@H](NC(=O)[C@H](C)N[C@H](CCc1ccccc1)C(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C(=O)O)cc1	71788530	OILLZJPGYPGMAL-XMODGQSNSA-N	588.661	2.620	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	223104567	FZZTWDFMYQNRAJ-ZWKOTPCHSA-N	523.627	2.941	0	40	KFAB	
CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	223823791	TZUFUFHDAZSRNH-INIZCTEOSA-N	510.012	2.778	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	225505978	BNAHNTTZYBSCRE-VWLOTQADSA-N	539.654	2.856	0	40	KFAB	
CC(C)NC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(CCC(C)(C)C)C[C@H]3C(=O)NC[C@H]1O2	253395235	BRRJJWDCKGFAEI-GEMTWJNPSA-N	557.736	2.772	0	40	KFAB	
CO[C@@H](C)C(=O)Oc1cc(OC(=O)[C@@H](C)OC)cc2occ(-c3ccc(C[C@@H](OC)C(=O)O)cc3)c(=O)c12	263583698	UBHJPIKJBUVABO-ZCCHDVMBSA-N	528.510	2.983	0	40	KFAB	
COc1ccc(CCCNC(=O)[C@@H]2CCC(=O)N3CCC[C@@H]3C(=O)N(C)CC(=O)N[C@@H](CC(C)C)COc3ccccc3C(=O)N2)cc1OC	643571562	DOEWAHQATWMDHX-PIZZNKLWSA-N	693.842	2.704	0	40	KFAB	
COC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2c1CC(C)(C)NC2(C)C	9391506	VTBFZBRIAGYLTG-UHFFFAOYSA-N	521.661	2.967	0	40	KFAB	
CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)OCC(=O)N(Cc3ccccc3)C(C)(C)C)c2)CC1	12643533	UVQHSXQBPUAHPU-UHFFFAOYSA-N	515.632	2.524	0	40	KFAB	
CS(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1	15934629	JNOHSCGTIKNFFD-UHFFFAOYSA-N	515.009	2.714	0	40	KFAB	
COc1ccc(-n2c(SCC(=O)Nc3cccc(S(N)(=O)=O)c3)nc3ccccc3c2=O)cc1OC	17466100	KILQWQSFEDJZPN-UHFFFAOYSA-N	526.596	2.781	0	40	KFAB	
COc1ccc(CCNC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC	20005201	ZNAIYKCKISCMCH-JOCHJYFZSA-N	528.627	2.970	0	40	KFAB	
CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)/C=C/c2cccc(OC)c2OC)CC1	38140300	OONQZXYQXLCQFH-DHZHZOJOSA-N	544.674	2.519	0	40	KFAB	
C/C=C(\C)C[C@@H](/C=C(\C)[C@@H](O)[C@@H](C)/C=C(\C)[C@H](O)[C@@H](C)/C=C/[C@H](O)C/C=C/[C@H](O)[C@H](O)C(=O)O)C(=O)O	38143649	YKAQENKKQWMYFZ-RNZCIFBVSA-N	524.651	2.600	0	40	KFAB	biogenic,in-vitro
COc1cc2c(cc1OC)CN(Cc1cc(=O)c(OCC(=O)c3ccc4c(c3)N(C)C(=O)CO4)co1)CC2	70666620	RRIPOVZXENAFHD-UHFFFAOYSA-N	520.538	2.832	0	40	KFAB	biogenic
Cc1ccc(N2CCN(Cc3c(O)c(=O)cc(CN4C[C@@H]5C[C@H](C4)Cn4c5cccc4=O)n3C)CC2)c(C)c1	79192370	KBBJCNQSFVYCHP-RPWUZVMVSA-N	529.685	2.811	0	40	KFAB	biogenic
Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@]1(CC(O)=N2)C(=O)N(CC(=O)NC2CCCCC2)c2ccccc21	95476327	HDPFNKCYMHNYOD-HHHXNRCGSA-N	525.573	2.920	0	40	KFAB	
Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(C(c3ccccc3)c3ccccc3)CC1)n2CCSc1ncccn1	96019863	JZINXHDNTFQTHE-UHFFFAOYSA-N	554.680	2.917	0	40	KFAB	
COc1c(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c(OC)c1OC	98009010	GWTWQJLLNAFOCW-UHFFFAOYSA-N	616.762	2.734	0	40	KFAB	
CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O	224531307	NJBJNKYPNKVHKT-OAQYLSRUSA-N	505.637	2.722	0	40	KFAB	
CC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4ccc(Cl)c(F)c4)C[C@H]3C(=O)NC[C@H]1O2	253408481	XZKCTYGYJMMOFL-IUWRHVCYSA-N	573.065	2.757	0	40	KFAB	
COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(OCC(=O)O)c(OC)c4)c(=O)n32)cc1	408983553	LIWHNWPYCULCGN-NQDYMZAQSA-N	552.605	2.667	0	40	KFAB	
CCOC(=O)CN1C(=O)/C(=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C)N=3)c2ccccc21	409391036	XNVHFLNTWYRMDF-ZHHPLPSFSA-N	566.035	2.732	0	40	KFAB	
COc1ccc(CCN2C(=O)[C@@H]3[C@H](Cc4ccccc4)N[C@]4(C(=O)Nc5ccccc54)[C@H]3C2=O)cc1OC	504152972	FJQUVEKSRKZKKH-GYMZGOSFSA-N	511.578	2.910	0	40	KFAB	biogenic
CC1CCN(CC(=O)N(C)CCC[C@H]2C(=O)N(C)CCCCc3ccccc3OCC(=O)N2C)CC1	643560244	HCOJMTPATRXXPT-DEOSSOPVSA-N	500.684	2.658	0	40	KFAB	
COc1ccc(C(=O)Oc2ccc(C)cc2-n2nc3ccccc3n2)cc1S(=O)(=O)N1CCOCC1	713004	BRBSFDKOARCDTJ-UHFFFAOYSA-N	508.556	2.978	0	40	KFAB	
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O	8670975	YMQDUALLDNEXIZ-HHHXNRCGSA-N	508.575	2.653	0	40	KFAB	
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C(=S)NC(=O)c4ccc(OC)cc4)CC3)cc21	8743235	TVFWQQFKFQPBNK-UHFFFAOYSA-N	512.563	2.704	0	40	KFAB	
CCOC(=O)Nc1ccc2c(c1)CC1(C(=O)N(C)C(=O)N(C)C1=O)[C@H]1CN(c3ccccc3OC)CCN21	9129336	UFCMOTUCRQXMBQ-JOCHJYFZSA-N	521.574	2.552	0	40	KFAB	
COc1ccccc1C[C@@H](NC(C)=O)C(=O)NC1CCN(S(=O)(=O)c2cccc3ccccc23)CC1	13565681	WQQJYCOHWSKXQD-XMMPIXPASA-N	509.628	2.865	0	40	KFAB	
CC(C)[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12)C(=O)N1CCC[C@@H]1C(=O)O	15968818	VWUWNUTZUMIYFS-KNAFXUBQSA-N	514.582	2.854	0	40	KFAB	biogenic
O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccc(Cl)cc2)CC1)Nc1cccc2ccccc12	19821076	LYVFBFKGDBKNTQ-VWLOTQADSA-N	520.033	2.971	0	40	KFAB	
COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)O[C@H](C)C(=O)N3CCN(C(=O)c4ccco4)CC3)c2)cc1	103091446	IJWBREQYMBUUTQ-LJQANCHMSA-N	555.609	2.643	0	40	KFAB	
C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@H](C)C4)cc3)cc2)C[C@H](C)O1	195529318	TVDLVOSWDQNDNZ-XUJYPJAKSA-N	819.981	2.808	0	40	KFAB	
CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	222636585	PWRDQXLWFQORTD-NRFANRHFSA-N	521.611	2.695	0	40	KFAB	
CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@H](C(=O)NCCO)c2ccccc2)cc1	223449541	HNFNTTLULAGBPZ-MHZLTWQESA-N	541.645	2.935	0	40	KFAB	
COc1ccc(S(=O)(=O)NCc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1C(=O)N1CCOCC1	223594673	VMKYZHZRCJCKBQ-UHFFFAOYSA-N	514.604	2.994	0	40	KFAB	
Cc1cc(NC(=O)COc2ccc(N3C[C@H](C(=O)NC[C@H](C)O)CC3=O)cc2)ccc1Br	408580983	SDTSIFKJTCXARB-JKSUJKDBSA-N	504.381	2.625	0	40	KFAB	
CCCC1=C(C(=O)OCC)[C@@H](c2ccc3c(c2)OCO3)n2c(s/c(=C\c3ccc(OCC(=O)O)cc3)c2=O)=N1	408839855	CTKLILKNYXEQDB-GOWBIRFASA-N	550.589	2.771	0	40	KFAB	
COc1ccc(NC(=O)CN(C)C(=O)c2cccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)c2)cc1	12523178	SMYRPPQAUNGUMG-UHFFFAOYSA-N	522.627	2.917	0	40	KFAB	
CCOC(=O)c1c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)sc(C(=O)N(C)C)c1C	12918505	IFEHDCCRPVLQBC-INIZCTEOSA-N	515.588	2.778	0	40	KFAB	
COc1cccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)c1	13565617	DYYSHCAHDREJJT-JOCHJYFZSA-N	527.565	2.731	0	40	KFAB	
CCOC(=O)[C@H]1C(c2ccc(Cl)cc2)[C@H](C(=O)OCC)[C@@](O)(C(F)(F)F)N[C@@]1(O)C(F)(F)F	16682656	ZVQCIDVGBSULAA-HJUPKNEGSA-N	507.811	2.887	0	40	KFAB	
COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4ccccc4F)CC3)cc2c1	19940658	GPVMTYZBCZWGTM-NBGIEHNGSA-N	519.581	2.753	0	40	KFAB	
COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C	70665999	XPIKJJTYHJXRKY-PMOQBDJRSA-N	636.743	2.761	0	40	KFAB	biogenic
COC(=O)C1=C(CS(=O)(=O)c2ccc(Br)cc2)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1	97999359	VDUINWNVJQEQIW-IBGZPJMESA-N	525.377	2.721	0	40	KFAB	
C[C@@]12C=C[C@@]3(O1)[C@@H](C(=O)NC1CCCCC1)N(C[C@@H]1CCCO1)C(=O)[C@@H]3[C@@H]2C(=O)NCc1cccs1	100431914	UFBZYNGEHDMXAQ-HRMGURHSSA-N	513.660	2.533	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1	139708833	TXWTXXJDZRBGQW-UHFFFAOYSA-N	531.616	2.713	0	40	KFAB	
COc1cccc([C@H](C(=O)NC[C@@H]2CCCO2)N(CCc2ccc(OC)c(OC)c2)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1	150387342	QGTCUPKHOAXFSR-VVFBEHOQSA-N	651.738	2.965	0	40	KFAB	
COCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1	222950503	JHGGTSWRJGCSLR-JOCHJYFZSA-N	545.702	2.982	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	223073303	ABFJSXJRBRZMTE-INIZCTEOSA-N	543.459	2.754	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)c3ccccc3O2)cc1	224233481	GXOFQFNSJGZYDW-XMMPIXPASA-N	580.084	2.742	0	40	KFAB	
CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	224241251	OBAWWROSKKTODO-NRFANRHFSA-N	505.637	2.722	0	40	KFAB	
CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C	224381866	TUZKWRDUGWIJQV-QFIPXVFZSA-N	506.644	2.999	0	40	KFAB	
O=C(COc1ccc(Br)cc1Cl)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1	224467421	ITCNYNNSVXUKPC-UHFFFAOYSA-N	533.828	2.697	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(N4CCOCC4)o3)c(=O)n2[C@@H]1c1ccccc1	408862764	LXAMRKPAFLRNGJ-CKNGIZQFSA-N	558.454	2.990	0	40	KFAB	
COc1cc2cc(CN(Cc3ccc4c(c3)OCO4)C(=S)NCCCN3CCOCC3)c(=O)[nH]c2cc1OC	6239433	JZEDVVHSAQEDCJ-UHFFFAOYSA-N	554.669	2.873	0	40	KFAB	
CC(C)C[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12)C(=O)N[C@H](C)C(=O)O	8790315	RZKVDWKVDCRWKM-RYYYPKKESA-N	502.571	2.758	0	40	KFAB	biogenic
CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1	33354962	IGTKENAPLZEUSY-FQEVSTJZSA-N	570.071	2.518	0	40	KFAB	
CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(N)(=O)=O)cc3)c(C)c2)cc1	59852103	CVLXSDFSKMXPRV-UHFFFAOYSA-N	533.628	2.537	0	40	KFAB	
CCOC(=O)c1ccc2c(c1)s/c(=N\C(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1)n2CC(=O)OC	100876137	XMMJWPUTSBXWRS-IZHYLOQSSA-N	533.628	2.824	0	40	KFAB	
CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1	103014628	IEONFUDZZJGAKG-UHFFFAOYSA-N	551.687	2.922	0	40	KFAB	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](c6cccs6)O[C@H]5[C@H](O)[C@H]3O)[C@@H]3COC(=O)[C@H]32)OCO4)cc(OC)c1O	202773837	NRUKOCRGYNPUPR-JRJFPCHKSA-N	656.662	2.753	0	40	KFAB	
O=C(NCc1ccccc1)[C@H]1CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)c2ccccc2O1	222832226	RNHGIGKTDKMFIJ-AREMUKBSSA-N	586.066	2.850	0	40	KFAB	
O=C(C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1CN(C1CCOCC1)CC2=O)NCCN1CCCC1	253408912	YYFIXUKSAGDLGF-OXOOYNAKSA-N	524.706	2.683	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@H](Oc2cc(OC(C)=O)c3c(=O)cc(-c4ccc(OC(C)=O)c(OC(C)=O)c4)oc3c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	254705507	JDAPIOVVXOAJOM-LMUZJXMZSA-N	742.639	2.698	0	40	KFAB	
Cc1cccc(S(=O)(=O)N2CCO[C@](COc3cccc(Cl)c3)(CC(=O)N3CCN(C)CC3)C2)c1	257294917	QWHBJQMFMHKUII-RUZDIDTESA-N	522.067	2.651	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CCOCC2)Cc2ccc(Br)cc2)cc1	408626677	ZWBHOKJCXDNJDR-UHFFFAOYSA-N	524.481	2.787	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)O)c(OCC)c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1	408987874	ZJVPDHDBTVEEFX-FVTDTAELSA-N	612.657	2.686	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(SC)cc1	409158794	ZANDKKHLUHIULJ-GKKFRVOYSA-N	623.753	2.766	0	40	KFAB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(O[C@H](C)C(=O)OC)c(Br)c3)C2=O)o1	409402552	WOXUBOOUZBJUOI-PDICVPPASA-N	507.293	2.862	0	40	KFAB	
CN1C[C@@H](O)CNS(=O)(=O)c2ccc(-c3cccnc3)cc2O[C@H]2CN(Cc3ccccc3Cl)C[C@H]21	1534611771	CPSMRKHEVKOKLW-PWWKTKHKSA-N	529.062	2.618	0	40	KFAB	
Cc1cccnc1CN1CCC2(CCOc3cc(-c4cccnc4)ccc3S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)N2)CC1	1548889607	IFKZWSFNKPCWHO-RSXGOPAZSA-N	577.707	2.509	0	40	KFAB	
CC[C@@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1)c1cccc(O)c1	903572	FDOLJOXKLDINNK-NRFANRHFSA-N	508.579	2.934	0	40	KFAB	
COc1cc([C@H]2C(C(=O)OCc3ccccc3)=C(C)Nc3c2c(=O)n(C)c(=O)n3C)cc(OC)c1OC	959874	JKKLYGGQPCDTDG-NRFANRHFSA-N	507.543	2.685	0	40	KFAB	
COc1ccc(CCNC(=S)N(CCN2CCOCC2)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1OC	6240115	LUZSDWMKEIHNCW-UHFFFAOYSA-N	554.669	2.525	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccnc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OCC)c1	9185804	QJCHMVXJORWPHH-YOKWNPFVSA-N	507.568	2.517	0	40	KFAB	
C[C@H](C(=O)NC1CCCC1)N(C(=O)C[S@@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1cccc(F)c1	19941232	SKYVXRNONHIEJZ-CUPYOXQXSA-N	517.579	2.722	0	40	KFAB	
Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1	20032724	IWCBURAJOCMZFX-UHFFFAOYSA-N	523.677	2.552	0	40	KFAB	
CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c1	22920306	QMSREDXWDFDTBW-UHFFFAOYSA-N	522.627	2.997	0	40	KFAB	
COc1cc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@H]2CCCO2)c2sccc2C)ccc1-n1cnnn1	100335979	ABINLCOHWBJPMP-IBVKSMDESA-N	587.666	2.855	0	40	KFAB	
CCC(C)(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	100735958	YLXBZBPHTNJZQE-GTMHZSJYSA-N	591.753	2.911	0	40	KFAB	world
O=C(Nc1ccc(Cl)cc1)Nc1nnc2nc(C3(c4nc5nnc(NC(=O)Nc6ccc(Cl)cc6)n5[nH]c4=O)CCCC3=O)c(=O)[nH]n12	150409726	DMQVEAKQFACKGX-UHFFFAOYSA-N	691.456	2.573	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O	223052233	MKVGPLZZHUMUOB-OAHLLOKOSA-N	514.417	2.908	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	223958619	FPXGBSSPGZVVGD-MRXNPFEDSA-N	554.463	2.887	0	40	KFAB	
COC(=O)CSc1nnc(NC(=O)C2CCN(S(=O)(=O)c3ccc(SC)cc3)CC2)s1	224575764	VGJFFEDJYBBLKO-UHFFFAOYSA-N	502.665	2.565	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1	225492486	ZCQJADTVAXDEIA-AWEZNQCLSA-N	516.845	2.886	0	40	KFAB	
CC(C)c1nc2ccccc2n1CCCC(=O)N1CCC2(CC1)C[C@@](C)(O)[C@H](n1ccc(N)nc1=O)CO2	257308244	TVZNCNUUNUCMIC-AJTFRIOCSA-N	522.650	2.853	0	40	KFAB	
CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OC)n2c(s/c(=C3/C(=O)N(CC(=O)OCC)c4ccccc43)c2=O)=N1	409385665	BYRNRYVXUPLDDY-GAPOMRBKSA-N	589.670	2.867	0	40	KFAB	
CC(C)CCN1CCC2(CCOc3cc(-c4cccnc4)ccc3S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)N2)CC1	1548890184	NCAQNMUULYVGSE-RPWUZVMVSA-N	542.702	2.652	0	40	KFAB	
COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC[C@H](N)C(=O)O)c(=O)cc1[C@@H](NC(C)=O)CC2	2944405	CCCBOTUEAVHMND-PMACEKPBSA-N	513.591	2.857	0	40	KFAB	biogenic
CN(C)S(=O)(=O)c1ccc(CNC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1	20030733	OFGZJAZNOOHNKW-UHFFFAOYSA-N	519.620	2.583	0	40	KFAB	
Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)c1	59838295	GUZOFSWSWDEUEV-HHHXNRCGSA-N	585.748	2.839	0	40	KFAB	
COc1ccc(Cl)cc1NC(=O)CN1CCc2nc3ccccc3c(C(=O)N3CCN(CCO)CC3)c2C1	68206778	UJMJIOLCOQYIKU-UHFFFAOYSA-N	538.048	2.644	0	40	KFAB	
COc1ccc(OC)c(N(CC(=O)NCc2ccncc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	113935426	AZHGUTLCRPTPNQ-UHFFFAOYSA-N	501.561	2.628	0	40	KFAB	
COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1C(=O)N1CCCCCC1	113939553	WZDDTXSQCJGHSU-UHFFFAOYSA-N	501.605	2.985	0	40	KFAB	
CC(=O)OC[C@H]1O[C@@H](Oc2cc(OC(C)=O)c3c(=O)c(-c4ccc(OC(C)=O)c(OC(C)=O)c4)coc3c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	150343756	WSMQBJMPWPNLTJ-IZGLVMMXSA-N	742.639	2.698	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccc(Cl)cc2)cc1	224445348	CJIKDMYCCHGMAP-UHFFFAOYSA-N	624.137	2.760	0	40	KFAB	
O=C(Nc1nnc(S(=O)(=O)Nc2ccccc2C(=O)N2CCOCC2)s1)c1ccc(Cl)cc1	224661521	HGMBVWUSLOEBFH-UHFFFAOYSA-N	507.981	2.717	0	40	KFAB	
COc1cccc(CN(C(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C)C(=O)NC(C)C)c1	225662962	INTWEZYZNCNEET-SFHVURJKSA-N	501.605	2.562	0	40	KFAB	
CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3cc(I)c(OCC(=O)OC)c(OC)c3)c2=O)=N1	409041428	VUQNKZCDLDEHJO-JPFXZVHCSA-N	648.475	2.963	0	40	KFAB	
COc1cc(CN2CCN(C(C)=O)C[C@](O)(COc3ccc(F)cc3)C2)ccc1OCCn1cc(C)cn1	585279506	CYRILQOGFMDCEM-NDEPHWFRSA-N	526.609	2.892	0	40	KFAB	
O=C(Cc1ccccc1F)N1CCCCC2(CCN(Cc3ccncc3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1	643578881	KHFMJETZEQVFLH-IZZNHLLZSA-N	527.637	2.713	0	40	KFAB	
CCOC(=O)Cn1nnnc1[C@H](CC)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)ccc2[nH]c1=O	1374469	SNNXDLJSFRLGRN-QFIPXVFZSA-N	534.573	2.969	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OC)c3OC)c(=O)n2[C@@H]1c1ccc(OC)cc1	16682424	JRBAAEIKDUXTLJ-VOSMRYOYSA-N	524.595	2.833	0	40	KFAB	
COc1ccc(C[C@H](NC(C)=O)C(=O)NC2CCN(c3c(Cc4ccccc4)c(C)nc4ncnn34)CC2)cc1	100472061	DTGFQQPBDXWURT-MHZLTWQESA-N	541.656	2.865	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223063784	BRSKHDDGFMJLFU-INIZCTEOSA-N	554.463	2.540	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O	223461327	DQHZBBXMOMDWEF-LJQANCHMSA-N	515.632	2.954	0	40	KFAB	
O=C(NCc1cccc(CN2CCOCC2)c1)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1	224724552	ISBIFVPRDACGNR-AREMUKBSSA-N	507.612	2.792	0	40	KFAB	
COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)Nc3ccc(CC(=O)N4CCCC4)cc3)CC2)c1	226078619	RPJOWDCEZWLOMS-UHFFFAOYSA-N	515.632	2.908	0	40	KFAB	
CCOc1cc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]2[C@H]2C[C@H]3[C@@H]3C(=O)N(CCCC(=O)O)C(=O)[C@@H]23)ccc1O	245228037	ZFUKKOJNNQZJMT-FRHDQWCISA-N	530.624	2.879	0	40	KFAB	
CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(OCC(=O)N5CCOCC5)cc4)c(=O)n32)cc1	409152909	CAZOHYSFMDQPFO-JQTKYWOZSA-N	605.713	2.823	0	40	KFAB	
O=C1C[C@@H](C(=O)NCCCN2CCCCCC2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)N1	643580823	UOUQFYQWCUNZKQ-IMKBVMFZSA-N	740.902	2.617	0	40	KFAB	
Cc1cccnc1CN1CCC2(CCOc3cc(C(C)C)ccc3S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)N2)CC1	1548890972	VDJPAEKBEUVYPK-VWNXMTODSA-N	542.702	2.571	0	40	KFAB	
O=C(OCOC(=O)C1=[N+](C(=O)CCCCC(=O)N2CCC/C2=C(/O)OCOC(=O)OC2CCOCC2)CCC1)OC1CCOCC1	1560403807	IRXRBPVJIGVONJ-SLEBQGDGSA-O	655.674	2.809	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)C3=CC=CN4CCS(=O)(=O)N=C34)cc2)cc1C	13095851	VFIQXGVJNVYPKH-UHFFFAOYSA-N	501.586	2.532	0	40	KFAB	
COc1ccc(NC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)cc1S(=O)(=O)N1CCCCC1	14075278	KNKOSRDKXBSWJU-UHFFFAOYSA-N	512.588	2.758	0	40	KFAB	
COc1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)cc1	19831152	GOEOBAHBPWGNGI-UHFFFAOYSA-N	500.599	2.726	0	40	KFAB	
COc1cc2cc(CN(Cc3cccnc3)C(=S)NCCCN3CCOCC3)c(=O)[nH]c2cc1OC	19941006	GLWJFGUIKXWBAK-UHFFFAOYSA-N	511.648	2.539	0	40	KFAB	
O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1	59838374	AZDVGXRBHPNBBF-VWLOTQADSA-N	545.658	2.816	0	40	KFAB	
C[C@H](NC(=O)[C@H](C)N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C(=O)O)cc1	71788529	OILLZJPGYPGMAL-YDNHHRFVSA-N	588.661	2.620	0	40	KFAB	
NC(=O)c1c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Br)sc2c1CCCC2	103040405	SIPMXGGDIQPAFC-UHFFFAOYSA-N	528.450	2.762	0	40	KFAB	
CCCNS(=O)(=O)c1ccc(OCC(=O)N2C[C@@H](C(=O)NCc3ccccc3)Oc3ccccc32)cc1	222666405	IRCXXVWCNOOBKD-VWLOTQADSA-N	523.611	2.864	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	223120283	NOJYKIGKQVJLDY-ZWKOTPCHSA-N	510.607	2.910	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O	223659400	NJXLYRSXKIIDOF-QGZVFWFLSA-N	557.454	2.919	0	40	KFAB	
Cc1cccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)S(=O)(=O)c2ccccc2)c1C	224214516	YSUKOGPAAAUETD-UHFFFAOYSA-N	545.683	2.944	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2)cc1	225494933	HIACDISAEYLKNP-UHFFFAOYSA-N	521.661	2.909	0	40	KFAB	
COc1ccc(N(CCCC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2OC)S(C)(=O)=O)cc1	225666650	DQBLJRWSRSFGBR-UHFFFAOYSA-N	525.649	2.673	0	40	KFAB	
CS(=O)(=O)N(CC(=O)N1C[C@@H](C(=O)NCCc2ccccc2)Oc2ccccc21)Cc1ccc(F)cc1	226062620	CAPLWPGMACMLPH-VWLOTQADSA-N	525.602	2.740	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)cc1	409014655	XWOGAOUXQILPOU-FJSZTYFPSA-N	605.713	2.743	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)cc3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409042235	WUEOQCJJMNEJKO-ASZHOJRSSA-N	594.642	2.674	0	40	KFAB	
CC(=O)O[C@@H]1[C@H](O)CO[C@H](O[C@@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@H]([C@@]6(C)CC[C@@H](C(C)(C)O)O6)[C@@H](O)C[C@@]3(C)[C@@H]5C[C@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@@H]3O)[C@@H]4C2(C)C)[C@@H]1OC(C)=O	605854527	TZHGYWCJIXHMJK-HKCLTMGWSA-N	839.029	2.505	0	40	KFAB	
CCN1CC(=O)N[C@@H](C(C)C)COc2ccccc2C(=O)N[C@H](C(=O)NCCOc2ccc(Cl)cc2)CCC1=O	643578714	NYBNPWMMYPDQEH-BJKOFHAPSA-N	573.090	2.796	0	40	KFAB	
O=C1N[C@H]2CCN(C(=O)c3ccc4nn[nH]c4c3)C[C@H]2CC=CCC2(CCOCC2)C(=O)N[C@@H]1Cc1ccccc1	2037884854	AZIJSNJVYVKEHC-ONBPZOJHSA-N	556.667	2.779	0	40	KFAB	
COc1ccc(CCn2c3c(c(=O)[nH]c2=O)[C@](NC(=O)c2ccc(Cl)cc2)(C(F)(F)F)C(=O)N3)cc1OC	2594058	XUEJLMHUAJFCOG-HSZRJFAPSA-N	552.893	2.590	0	40	KFAB	
COc1ccc(N(C(=O)Cn2nnc(-c3ccc(OC)c(OC)c3)n2)[C@@H](C)C(=O)NCCC(C)C)cc1	6134355	VCFWINZIHISUQQ-SFHVURJKSA-N	510.595	2.950	0	40	KFAB	
Cc1cccc(N(CC(=O)NC2CCCCC2)C(=O)C[S@@](=O)CC(=O)Nc2ccc3c(c2)OCO3)c1	19941253	MRAZBAZSRUMKKC-PSXMRANNSA-N	513.616	2.893	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@@H](SCCOc2ccc(Br)cc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	70673434	ZDUHEZBXPHVNCZ-YFNVTMOMSA-N	563.419	2.644	0	40	KFAB	
COc1ccc(C(c2c(O)[nH]c(=S)n(C)c2=O)c2c(O)[nH]c(=S)n(C)c2=O)cc1CN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	79214497	WNPVZKNRZLZJCR-DOTOQJQBSA-N	636.756	2.580	0	40	KFAB	biogenic
Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(Cl)c(S(=O)(=O)N4CCOCC4)c3)CC2)c1C	97981504	WTWASBZDPIGHBG-UHFFFAOYSA-N	599.175	2.540	0	40	KFAB	
Cc1cc2oc(-c3cc(C(=O)N4CCC[C@@H]4C(=O)N[C@H](CC(C)C)C(=O)NCC(N)=O)cc4c3OCOC4)cc(=O)c2cc1C	102013649	CFKSVMVGALEHAP-JWQCQUIFSA-N	618.687	2.680	0	40	KFAB	
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4cccs4)C3)cc2)n1	215997615	CQUZBNCROSZGSP-QGZVFWFLSA-N	535.673	2.995	0	40	KFAB	
COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)c1	216336835	RBMOTAATSSRNHE-FQEVSTJZSA-N	502.589	2.873	0	40	KFAB	
CS(=O)(=O)N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCCN1CCOCC1)c1ccccc1)Cc1ccccc1	223444547	QPTODHPRRAIGEV-SSEXGKCCSA-N	596.725	2.806	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCCSc2nc(C)n[nH]2)cc1Cl	226052436	BWSLLHXKXWKWTI-UHFFFAOYSA-N	524.068	2.917	0	40	KFAB	
Cc1cc2nc(C)n(CC(=O)N3CCC4(CC3)COC[C@@](C)(O)[C@H](n3cnc5c(N)ncnc53)C4)c2cc1C	257267083	MFXLCQFHGICSSE-AJTFRIOCSA-N	532.649	2.705	0	40	KFAB	
COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NC[C@H]3COc4ccccc4O3)Oc3ccc(C)cc32)cc1	260895086	GULQAUJXZHUMIW-DFBJGRDBSA-N	510.568	2.916	0	40	KFAB	
Cc1cc(Br)ccc1NC(=O)COc1ccc(N2C[C@@H](C(=O)NC[C@@H](C)O)CC2=O)cc1	408575757	FSKMMSIRHRRJJO-CVEARBPZSA-N	504.381	2.625	0	40	KFAB	
CCOc1ccc(CCCNC(=O)[C@@H]2CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)COc3ccccc3C(=O)N2)cc1OC	643573167	NPIREDAETKKKCR-ZODMCCGTSA-N	596.725	2.759	0	40	KFAB	
CO[C@]1(COc2cccc(Cl)c2)COCCN(Cc2ccc(OCCCN3CC(=O)NC3=O)cc2)C1	2037928481	UPTDXYPTLFYGFQ-SANMLTNESA-N	518.010	2.957	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)o3)c(=O)n2[C@H]1c1ccccc1Cl	669396	QBQKMBMFARMZOR-DJAVKIJBSA-N	514.003	2.881	0	40	KFAB	
CCOc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(Cc2cccc(OC)c2)C(=O)c2snc(C(N)=O)c2N)cc1	6601416	KIKQSJHJKQDMSI-URXFXBBRSA-N	567.668	2.910	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCCO4)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	8438727	WWYWAARTNAIOQO-CBYYHRJHSA-N	536.606	2.977	0	40	KFAB	
C[C@@H](C(=O)NC1CCCC1)N(C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1F	12709756	YCZMQZUMHHIFQQ-FGAOGKJBSA-N	517.579	2.722	0	40	KFAB	
Cc1cc(S(=O)(=O)NCCN2CCN(S(=O)(=O)c3ccc(Cl)c(C)c3)CC2)ccc1Cl	26460497	AMKCDXWBXKRCKG-UHFFFAOYSA-N	506.477	2.895	0	40	KFAB	
CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NCc1cccc(CN3CCOCC3)c1)O2	38831930	SPLGPTCRNDGBHP-DEOSSOPVSA-N	501.649	2.660	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1	44881013	NXFOUSBOKJFHEO-UHFFFAOYSA-N	527.690	2.971	0	40	KFAB	
Cc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@@H](C(=O)NC3CCCCC3)c3ccc(F)cc3)n2)o1	100276786	FDVHOXXEFLWFHG-AREMUKBSSA-N	553.639	2.732	0	40	KFAB	
COc1cccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)c1OC	100468849	VOBGCSTWPFNNDR-HXUWFJFHSA-N	557.591	2.739	0	40	KFAB	
COc1ccccc1NC(=O)c1ccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	103101168	SZGLYYYPOMNFHB-UHFFFAOYSA-N	553.593	2.764	0	40	KFAB	
CC[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O	224335042	PHJTWAZBWWMZJY-JOCHJYFZSA-N	574.121	2.873	0	40	KFAB	
COc1ccc(NC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1S(=O)(=O)N1CCCCC1	225120507	SOXDYVIONZJFJF-UHFFFAOYSA-N	567.686	2.826	0	40	KFAB	
COc1ccc(S(=O)(=O)N2C[C@H](C(=O)NC[C@H]3COc4ccccc4O3)Oc3cc(C)ccc32)cc1	260899358	KXLVRYIFMHGQQF-UQBPGWFLSA-N	510.568	2.916	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1	409155386	QWLDYRUMUZMGOC-LMVGNEGFSA-N	656.555	2.807	0	40	KFAB	
CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)CC(=O)N[C@@H](Cc2ccccc2)C1=O	643565731	IQYFHPWZUIJAGP-VMPREFPWSA-N	630.717	2.757	0	40	KFAB	
CCOC(=O)N1CCc2c(sc3c2c(=O)n(-c2ccc(F)cc2)c(=O)n3Cc2cc(=O)n3ccccc3n2)C1	2688651	IXGZZXPYHXPPNT-UHFFFAOYSA-N	547.568	2.924	0	40	KFAB	
NS(=O)(=O)c1ccc(CCNC(=O)CSC2=Nc3ccccc3C3=N[C@@H](Cc4ccccc4)C(=O)N23)cc1	2964463	MSJPOLXQDJDWSQ-QHCPKHFHSA-N	547.662	2.627	0	40	KFAB	
CSCC[C@@H](C(=O)O[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)N1C(=O)c2ccccc2C1=O	3309164	DTZMRMKOQITDCN-UWJYYQICSA-N	536.610	2.773	0	40	KFAB	
O=C(COC(=O)Cc1ccc(Cl)cc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1	8684401	RBNREHOLUDWYBB-UHFFFAOYSA-N	522.023	2.686	0	40	KFAB	
Cn1c(=O)c2[nH]c(N3CCN(C(=O)[C@H]4CCCN(c5c(-c6ccccc6)c6cc(Cl)ccc6[nH]c5=O)C4)CC3)nc2n(C)c1=O	8695128	LMZYHHAEJABZQD-FQEVSTJZSA-N	629.121	2.687	0	40	KFAB	
COC(=O)c1c(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)sc2c1CCN(C(C)=O)C2	10186839	LSHCVZCMWKTSFZ-UHFFFAOYSA-N	511.647	2.540	0	40	KFAB	
CCOC(=O)N1CCN(C(=O)c2c(F)c(F)c3c(c2F)N(Cc2ccccc2)CCS3(=O)=O)CC1	12324294	BPHGFDYZZYIUKU-UHFFFAOYSA-N	511.522	2.812	0	40	KFAB	
Cc1c(C(C)C)c(=O)n(-c2ccc(S(=O)(=O)Nc3cccc(S(=O)(=O)NC4CC4)c3)cc2)n1C	12372080	STIFJWFWZJKKOH-UHFFFAOYSA-N	504.634	2.849	0	40	KFAB	
CCN(CC)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1C(=O)NC2(CCCC2)C1=O	12522023	XLKKMTKMLQBKJS-UHFFFAOYSA-N	505.641	2.511	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4ccc(OC)cc4[nH]c3=O)c(=O)n2[C@H]1c1ccc(C)cc1	15018872	QZXBQGCHSBMVFO-MFUBYVTQSA-N	515.591	2.957	0	40	KFAB	
CC(C)[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N12)C(=O)N1CCC[C@@H]1C(=O)O	38139907	VWUWNUTZUMIYFS-FVEXOFTDSA-N	514.582	2.854	0	40	KFAB	biogenic
Cc1ccccc1-c1nn2c(=O)cc(CN3CCN(S(=O)(=O)c4ccc(F)c(F)c4)CC3)nc2s1	41077582	JBHNIDCDIUPWAS-UHFFFAOYSA-N	517.583	2.911	0	40	KFAB	
Cc1c2c(=O)n(-c3nc4ccccc4s3)n(CC(=O)Nc3ccccc3)c2cc(=O)n1CCN1CCOCC1	100432315	OVHXNCCDWDUTSG-UHFFFAOYSA-N	544.637	2.843	0	40	KFAB	
COCCOC(=O)c1c(NC(=O)COC(=O)c2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)sc(C(N)=O)c1C	103054999	IKCOBWMQZBZLMX-UHFFFAOYSA-N	595.696	2.707	0	40	KFAB	
COc1ccc(N2C(=O)/C(=C/c3cccs3)N=C2SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1Cl	103132865	SMKYFZLMUWJOGP-GDNBJRDFSA-N	546.030	2.750	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O	222465657	ISFIBXGEDHBQPO-MRXNPFEDSA-N	543.427	2.529	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	224999205	KYYFTEIZGXEJBM-LJQANCHMSA-N	533.647	2.566	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1	225522261	APBJSPOHPYJUJK-IBGZPJMESA-N	521.661	2.828	0	40	KFAB	
COC(=O)CSc1nnc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccc(C)cc3)c3ccccc3O2)s1	225570585	AGIYPHOBSYKZGE-KRWDZBQOSA-N	520.614	2.707	0	40	KFAB	
COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NCc2ccc3c(c2)OCO3)cc1	260719586	JPTQCDUNIYIGDI-RUZDIDTESA-N	567.664	2.572	0	40	KFAB	
Cc1ccc(CN(C(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C)cc1	260936592	YXKHFXKTKNXTBZ-HXUWFJFHSA-N	517.648	2.722	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1	408703147	PCHMZHTXGDVORX-UHFFFAOYSA-N	501.605	2.557	0	40	KFAB	
COc1ccc(N2C(=O)NC(=O)[C@@](Cc3ccc(OC)cc3OC)(CN3C[C@H]4C[C@H](C3)c3cccc(=O)n3C4)C2=O)cc1	1853573	WFKHUKHQHCPQFL-QIYVGXHKSA-N	586.645	2.805	0	40	KFAB	
O=C(CNC(=O)c1ccc2ccccc2c1)OCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1	8692263	UEOQKGFFOHZNSG-UHFFFAOYSA-N	545.617	2.799	0	40	KFAB	aggregator
CC1CCN(S(=O)(=O)c2cc(C(=O)N3CCN(c4ncccn4)CC3)ccc2Br)CC1	8693817	DOSDSSXFRXGGIK-UHFFFAOYSA-N	508.442	2.622	0	40	KFAB	
Cc1ccc2c(c1)[C@@]1(N[C@H](Cc3ccc(O)cc3)[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2	15968801	LIAUUERUCMHZKT-KMGQHQDOSA-N	511.534	2.593	0	40	KFAB	biogenic
CCCCOC(=O)c1ccc(NC(=S)N2CCN(c3ncc4c(=O)c(C(=O)O)cn(CC)c4n3)CC2)cc1	17527799	SIMQJIGLMBBZDE-UHFFFAOYSA-N	538.630	2.986	0	40	KFAB	
CC(C)(C)n1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(Cc2ccc3c(c2)OCO3)CC1	19360908	SODDGDOVDYAHJI-VWLOTQADSA-N	545.600	2.634	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCC2)c1	20039662	XJPNFKPUGRCRHL-UHFFFAOYSA-N	523.633	2.525	0	40	KFAB	
Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC(C(=O)N[C@@H](CC(C)C)C(=O)O)CC2)cc1	38144954	KSXWPIMQTLEEMT-DQEYMECFSA-N	543.686	2.739	0	40	KFAB	biogenic
COc1cccc(OC)c1OC[C@H](O)CN1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1	96134160	GEFWLUZSCPNGJK-OAQYLSRUSA-N	519.598	2.511	0	40	KFAB	
CCN(CC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(S(C)(=O)=O)ccc3n2CCOC)cc1	100872733	MDMQLUSFDKAOAT-FCQUAONHSA-N	525.674	2.524	0	40	KFAB	
O=C(/C=C\c1ccc2c(c1)OCO2)NCCn1ncc2c(=O)n(Cc3ccc(Br)cc3)cnc21	101007950	OPBKKCPYDCXJQW-YWEYNIOJSA-N	522.359	2.962	0	40	KFAB	
O=C(CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1	140087875	VHJAYPHUQKHWSK-UHFFFAOYSA-N	581.632	2.883	0	40	KFAB	
COc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)c(Cl)c2)cc1S(=O)(=O)N1CCOCC1	150436848	ZHLGCEDGTPMEKD-UHFFFAOYSA-N	709.199	2.904	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223498109	PGASHNZKVVTLKM-LJQANCHMSA-N	533.647	2.566	0	40	KFAB	
CS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(Br)cc1	224366327	TXESBNZEXAUFPQ-UHFFFAOYSA-N	574.519	2.585	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)[C@H](C)C(=O)NC(C)(C)C)c1	260792271	NXJXPCSYJJIVAG-GOSISDBHSA-N	535.663	2.810	0	40	KFAB	
COc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)c(OC)c1	260913252	YTBHHJFRCCPDEV-QGZVFWFLSA-N	509.600	2.551	0	40	KFAB	
CCOC(=O)COc1ccc(/C=C2/SC(=O)N(CC(=O)OCC)C2=O)cc1I	409048701	UQKPXKZUMPWTKC-RIYZIHGNSA-N	519.313	2.833	0	40	KFAB	
CCCCOC(=O)C1=C(N)n2c(s/c(=C\c3ccc(OC)cc3)c2=O)=C(C(=O)OCC)[C@@H]1c1ccc(OC)cc1	1877132	PUAIDDPWFHCECU-IYTCMIDZSA-N	564.660	2.738	0	40	KFAB	
CCOc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCCOC)c2ccc3ncccc3c2)cc1	6089829	IMCZHRVOUDCPEJ-QHCPKHFHSA-N	548.625	2.922	0	40	KFAB	
CCOC(=O)CNC(=O)[C@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(CC)cc1	6821999	JGCMDHPTIFISAV-NRFANRHFSA-N	527.578	2.593	0	40	KFAB	
CCOC(=O)CNC(=O)[C@@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(CC)cc1	6822157	JGCMDHPTIFISAV-OAQYLSRUSA-N	527.578	2.593	0	40	KFAB	
CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)N(CCCO)Cc1cc2cc3c(cc2[nH]c1=O)OCO3	8671353	NLDZXQDPUSNFOB-QFIPXVFZSA-N	506.563	2.636	0	40	KFAB	
CC(=O)N[C@H]1[C@H](Sc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	70712117	STHHVBNURJGKBY-UMGWPWBVSA-N	596.662	2.991	0	40	KFAB	biogenic
CCN(CC)S(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1	103018733	JZOVNBPMFVYMIS-UHFFFAOYSA-N	573.693	2.560	0	40	KFAB	
COCCn1c(SCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)nc2sc3c(c2c1=O)CCCC3	103141666	WAYXCPBJJJFANS-UHFFFAOYSA-N	536.701	2.964	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@@H](n2nc(/C=C/c3ccco3)c(=O)n(-c3ccccc3)c2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	104191167	PMQNGEUTJPILSW-AQGQLKJOSA-N	627.628	2.782	0	40	KFAB	
C[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C	224096779	WMXRNEWGJQQIRA-NRFANRHFSA-N	500.665	2.818	0	40	KFAB	
CCOc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc(OC)c(N4C(=O)CCC4=O)c3)n2)cc1	224685119	HQHMJZJMMBIYPR-UHFFFAOYSA-N	500.533	2.618	0	40	KFAB	
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(N)=O	252394527	OQCSRTHUMNABCZ-FUDKSRODSA-N	548.681	2.560	0	40	KFAB	
Cn1cc(CCC(=O)N2CC[C@H](Oc3cccc(Br)c3)[C@@H](CC(=O)N3CCOCC3)C2)cn1	257219879	DIPWGHRXBNUUHR-UGKGYDQZSA-N	519.440	2.660	0	40	KFAB	
Cc1ccnn1CCC(=O)N1CC[C@H](Oc2cccc(Br)c2)[C@@H](CC(=O)N2CCN(C)CC2)C1	257255482	KHQUMCRXNZDOEW-REWPJTCUSA-N	532.483	2.804	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1ccccc1F)[C@H](C)C(=O)NC(C)C)c1ccc2c(c1)OCO2	260900022	UQJNHGGGMIYNCS-QGZVFWFLSA-N	507.584	2.652	0	40	KFAB	
COC(=O)COc1c(/C=C2/SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)cccc1OC	408536468	ZQKAZGWVIRLJIO-KGENOOAVSA-N	541.582	2.759	0	40	KFAB	
CCOc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)NCCOC)c4ccccc34)N(CC(=O)OC)C2=S)cc1	409122671	ASSKFGHRWUBNPW-IWIPYMOSSA-N	550.637	2.950	0	40	KFAB	
O=C(O)c1ccc(CN2CCN3C(=O)c4ccccc4OCC[C@@H]4CCC[C@@H](CNC(=O)[C@@H]3C2)O4)cc1	514287628	RQOYJOAUAZFNMG-FIXSFTCYSA-N	507.587	2.548	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3/C(=O)N(CC)c4ccccc43)c(=O)n2[C@@H]1c1ccccc1OC	1103781	SYAXXAMPJGGDMZ-HOGKFDNTSA-N	503.580	2.544	0	40	KFAB	
CCOC(=O)C1=c2s/c(=C\c3ccccc3)c(=O)n2C(N)=C(S(=O)(=O)c2ccccc2)[C@H]1c1ccccc1	2274523	YXSNTAQFTQIYNG-NMFWXREBSA-N	544.654	2.809	0	40	KFAB	
CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)OCC(=O)NC(=O)Nc1ccc2c(c1)OCCO2	3442598	LJOQDSUIZYLXDP-FQEVSTJZSA-N	534.363	2.866	0	40	KFAB	
O=C(COC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1)NC[C@@H]1CCCO1	12858539	GXHKYENQRKAHNL-AWEZNQCLSA-N	512.934	2.598	0	40	KFAB	
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@H](C)C4)cc3)cc2)n1	17413757	KWZCBRQTRBKUHH-KDURUIRLSA-N	559.670	2.944	0	40	KFAB	
C[C@H]1CN(S(=O)(=O)c2ccc(I)cc2)CCN1S(=O)(=O)c1ccc(I)cc1	33355258	LRJDLQRVSDKMMU-ZDUSSCGKSA-N	632.283	2.980	0	40	KFAB	
CCN(CC(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1)S(=O)(=O)c1ccc(Br)cc1	59838000	QIQFVGBYTVWHEP-UHFFFAOYSA-N	544.493	2.561	0	40	KFAB	
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O	70706995	SYKVTZBNPJLAGC-GSDHBNRESA-N	588.686	2.524	0	40	KFAB	biogenic
CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1	85867534	WIGHCPZBXOGLKE-NDQWLQTNSA-N	780.993	2.882	0	40	KFAB	biogenic
Cc1ccc([C@@H](C(=O)NC(C)(C)C)N(CCN2CCOCC2)C(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1	100286878	VAFDPNQWOBLUKL-VWLOTQADSA-N	537.640	2.604	0	40	KFAB	
COC(=O)[C@]1(CCSC)N[C@@H](c2ccccc2F)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21	100422228	XHKULFIEMQMMNF-AIFLQVKLSA-N	500.548	2.712	0	40	KFAB	
CCCn1c(N2CCN(C[C@@H](O)COc3c(Br)cc(Br)cc3Br)CC2)nc2c1c(=O)[nH]c(=O)n2C	150376974	MYPUDEZCOMGRJD-CQSZACIVSA-N	679.208	2.683	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	222531104	QLKCFYDXSPTNMA-KRWDZBQOSA-N	524.039	2.821	0	40	KFAB	
CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	222830817	XPUOVSLKHBQHPT-JOCHJYFZSA-N	533.647	2.564	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)NC(C)(C)C)c1ccc2c(c1)OCO2	223119523	PLDVDUWPZVRSKQ-IBGZPJMESA-N	517.648	2.946	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1	224319929	GSWSVLXMDQUKJT-UHFFFAOYSA-N	570.133	2.862	0	40	KFAB	
CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225182391	ADRBOWRBXKUVRX-JOCHJYFZSA-N	517.648	2.866	0	40	KFAB	
CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O	225416856	HRTFRFCVNNVSLF-QFIPXVFZSA-N	515.632	2.954	0	40	KFAB	
COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-n3cnnc3)c2C)ccc1NS(C)(=O)=O	225419556	CGOHTCDVJNAADQ-DHIUTWEWSA-N	538.659	2.960	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	225487558	BLVCFZASHCXKNS-UHFFFAOYSA-N	525.624	2.658	0	40	KFAB	
O=C(CN1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1)N1CCO[C@@H](c2ccccc2)C1	244975217	IGYDJBQENRYITF-AREMUKBSSA-N	512.610	2.654	0	40	KFAB	
CCOc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1	260751235	PYHBUHXUYWQZOO-LJQANCHMSA-N	505.637	2.802	0	40	KFAB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(O)cc4O)c(=O)n32)cc1OCC	408933057	HBKHYLMCLDEWDG-CXUQIOAJSA-N	575.437	2.989	0	40	KFAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCOc2ccc(C)cc2OC)CC(=O)N[C@H](Cc2ccccc2)C1=O	643578879	IJHIGORTZMCOOT-RRPNLBNLSA-N	616.715	2.656	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1	630909	UXNOBMGWMBAJDM-CVGPFBNFSA-N	524.595	2.833	0	40	KFAB	
Cn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccc(S(=O)(=O)N2CCCC2)cc1	931276	SANFDGVHPZQEEF-UHFFFAOYSA-N	501.590	2.726	0	40	KFAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)Cn4nc(C(F)(F)F)c(Cl)c4C)[C@H]3SC2)s1	2788129	URSVFUZLBOUYKA-XHDPSFHLSA-N	569.012	2.555	0	40	KFAB	
CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N4CCOCC4)c3)sc2c1	3275458	UXRMCZGLOBFWII-UHFFFAOYSA-N	516.022	2.626	0	40	KFAB	
CCOCCCN(C(=O)Cn1nnc(-c2ccc(C)o2)n1)[C@@H](C(=O)NC[C@H]1CCCO1)c1cccs1	6600172	RONXWPVSFDQTAT-XMSQKQJNSA-N	516.624	2.595	0	40	KFAB	
COc1ccc(C(=O)NCCc2nnc3ccc(SCC(=O)Nc4ccc(OC)c(OC)c4)nn23)cc1	9578608	AQSLVELNIPFKMK-UHFFFAOYSA-N	522.587	2.853	0	40	KFAB	
CCN1CCN(c2nc3ccc(OC(=O)c4ccc(S(=O)(=O)N5CCOCC5)cc4)cc3s2)CC1	12488857	WWUUYZWSVQDKIG-UHFFFAOYSA-N	516.645	2.678	0	40	KFAB	
CC(=O)N[C@H](Cc1ccccc1F)C(=O)NC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1	13565638	SJBWSPKTJLTSPY-OAQYLSRUSA-N	515.529	2.861	0	40	KFAB	
Cc1ccc(C)c(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)S(C)(=O)=O)c1	20035185	GTFUEBFUUUHSJK-QGZVFWFLSA-N	503.606	2.687	0	40	KFAB	
CCOC(=O)CN1C(=O)[C@]2(N[C@@H](Cc3ccccc3)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]32)c2ccccc21	100193604	SIHWJLLANVMQEL-GYMZGOSFSA-N	509.562	2.812	0	40	KFAB	
Cc1cc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@H]2CCCO2)c2cccs2)ccc1-n1cnnn1	100337514	MYGKYTFHVYGLJL-FQRUVTKNSA-N	557.640	2.847	0	40	KFAB	
COC(=O)[C@H]1[C@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C/c3c(C)nn(-c4ccccc4)c3C)c(=O)n12	105263541	ZGQVOMJTPLZNRP-QHMDTUNHSA-N	500.580	2.662	0	40	KFAB	
COc1cccc(-n2c(O)c(C(c3ccc(OC)c(CN4CCCCC4)c3)c3c(O)n(-c4cccc(OC)c4)c(=O)[nH]c3=O)c(=O)[nH]c2=O)c1	150504205	QEQDJRCIDJIYCL-UHFFFAOYSA-N	683.718	2.968	0	40	KFAB	
Cc1cccc(N(CCCC(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)c1	224404322	MVMIDDZROCLLTD-UHFFFAOYSA-N	537.704	2.911	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O	225422145	PAPDVYCAZYUOQY-CQSZACIVSA-N	500.390	2.518	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	225592447	PZVAZWHJSGLXJQ-XMMPIXPASA-N	519.623	2.916	0	40	KFAB	
CN(C[C@]1(O)CCCN(c2ccnc3cccnc23)C1)C(=O)c1ccc(OCCN2CCCC2=O)cc1	257276055	NSEUILBUVVODKO-MUUNZHRXSA-N	503.603	2.735	0	40	KFAB	
CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)ccc1OCC(=O)N1CCOCC1	409204558	IXDQQEOLCGQJRV-ITYLOYPMSA-N	610.689	2.835	0	40	KFAB	
CCc1nccn1CCOc1cc(CN2CCN(C(=O)COC)C[C@](O)(COc3ccc(C)cc3)C2)ccc1OC	585272314	MIXXGUVZLXYABK-HKBQPEDESA-N	566.699	2.942	0	40	KFAB	
COc1cccc(OCC(=O)N2CCO[C@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCN(C)CC3)C2)c1	585287177	VQRRMBJZPFQWJO-MUUNZHRXSA-N	546.064	2.877	0	40	KFAB	
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCOCCOCCOCCOCCNC(=O)O[C@@H]1CCC=CCCC1	888086793	OADGBCNDNVFPDA-AQCTUAEDSA-N	614.806	2.510	0	40	KFAB	
CCOC(=O)c1c(NC(=S)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)sc(C)c1C	3274573	PCWIJGUABRIONI-UHFFFAOYSA-N	525.674	2.998	0	40	KFAB	
COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(C)c2)cc1	12711386	GRJXCCVUXJOTMJ-SIKLNZKXSA-N	523.615	2.825	0	40	KFAB	
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(Cl)cc3)CC2)N[C@H]1c1ccc(O)c(OCC)c1	20674857	NHMXATDZIGWDPB-YADHBBJMSA-N	500.983	2.973	0	40	KFAB	
CC(=O)c1cccc(NC(=O)Cn2c(=O)n(CC(=O)NC3CCCC3)c(=O)c3oc4ccccc4c32)c1	72332053	FWJWMLMIPJVKNU-UHFFFAOYSA-N	502.527	2.810	0	40	KFAB	
COc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1	97979582	OEBOEUGUUCGWKN-SAPNQHFASA-N	526.549	2.750	0	40	KFAB	
Cc1ccccc1CCN(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC[C@H]1CCCO1)c1ccc(F)cc1	100284342	AGYIEYRHGLMCQU-OFNKIYASSA-N	539.633	2.993	0	40	KFAB	
COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)S(C)(=O)=O	216130202	OGVMFGJTZATAFO-UHFFFAOYSA-N	525.008	2.949	0	40	KFAB	
C[C@H](NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1)c1ccc(S(C)(=O)=O)cc1	223848910	CKGBSGGPSMCVLA-SBUREZEXSA-N	500.598	2.924	0	40	KFAB	
CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	224368160	FIJKMUDGBUFYPH-FQEVSTJZSA-N	509.600	2.552	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	260996931	QZDIDTZUEDKXCA-SFTDATJTSA-N	531.675	2.988	0	40	KFAB	
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](OC(=O)CCCC(=O)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(=O)[C@H](C)[C@H](O)[C@@]1(C)O	263595396	DLXKPWOBAXEREQ-NKBRWVQISA-N	848.037	2.591	0	40	KFAB	
O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl	408700247	BUBFNRVOLKQZJT-UHFFFAOYSA-N	528.052	2.788	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/[C@@H]3C(=O)NC(=S)N(c4ccccc4)C3=O)c(=O)n2[C@H]1c1ccccc1OC(C)C	408824548	IFCWJTMGFYCRNE-KCIWELSNSA-N	604.710	2.601	0	40	KFAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cccc(O)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	409107254	QGHKLXUVOWAONQ-XPCGLTFESA-N	507.612	2.826	0	40	KFAB	
COc1ccc(CCNS(=O)(=O)c2ccc(OCC(=O)N3CCN(Cc4ccccc4)CC3)cc2)cc1OC	409197538	IDURNJAMPUJFKP-UHFFFAOYSA-N	553.681	2.948	0	40	KFAB	
COc1ccc(CCNS(=O)(=O)c2ccc(OCC(=O)NCc3ccc4c(c3)OCO4)cc2)cc1OC	409238755	LUZGSKYELGRXQB-UHFFFAOYSA-N	528.583	2.649	0	40	KFAB	
CC(C)C[C@H]1NC(=O)C[C@@H](C(=O)NCCc2ccccc2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC1=O	643575404	DWLGJJUMDYLWLZ-AYQJTBPPSA-N	655.796	2.691	0	40	KFAB	
COC(=O)c1ccccc1NC(=S)N(CCN1CCOCC1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O	895478	UBSHZSIVILVBOU-UHFFFAOYSA-N	540.642	2.863	0	40	KFAB	
Cc1c(NC(=O)COC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)c(=O)n(-c2ccccc2)n1C	2654821	IZISSHIJXNYFCD-UHFFFAOYSA-N	534.594	2.758	0	40	KFAB	
COc1ccc(N(C(=O)Cn2nnc(-c3ccc(OC)c(OC)c3)n2)[C@@H](C)C(=O)NC2CCCC2)cc1	12701636	PGNHHCKFYQWYKP-KRWDZBQOSA-N	508.579	2.846	0	40	KFAB	
Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCNC(=O)c3ccc(Br)cc3)CC2)c1	12895138	QTJRAGFJVUHXHC-UHFFFAOYSA-N	508.438	2.719	0	40	KFAB	
C[C@]12CCC(SCC(=O)O)(SCC(=O)O)C[C@H]1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@@]2(O)C(=O)CO	118924833	XCBVGXHHEMDZIG-AVNVECAMSA-N	528.689	2.833	0	40	KFAB	
C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	222655315	FYVSVPLYYOSDER-SFHVURJKSA-N	503.621	2.556	0	40	KFAB	
Cc1ccc(S(=O)(=O)NCCNC(=O)CCc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1	222851745	KJJRRYYVLVWEOP-UHFFFAOYSA-N	507.678	2.633	0	40	KFAB	
COc1ccc(NC(=O)c2ccc(C)cc2I)cc1S(=O)(=O)N1CCOCC1	225024202	YWXBEIKQFLRXQD-UHFFFAOYSA-N	516.357	2.881	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O	225422084	GXAYXWASKHLCDF-AWEZNQCLSA-N	500.390	2.518	0	40	KFAB	
COc1ccccc1N1CCN(C[C@H](O)CN2C(=O)[C@H]3C4c5ccccc5C(C(C)=O)(c5ccccc54)[C@@H]3C2=O)CC1	226644283	BSKCHUWGIPJEQQ-NDLHGSCISA-N	565.670	2.814	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3O)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	408921535	COIJTKQVYLERRM-ZRELAVNMSA-N	510.568	2.530	0	40	KFAB	
CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	409121138	WJAWVKWEHDJNBA-QFQXNSOFSA-N	584.720	2.917	0	40	KFAB	
CC(C)[C@H](NC(=O)c1ccc(Cl)cc1OC[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O	2037879604	GYGADXVMKLQFON-APTRMMRNSA-N	542.036	2.578	0	40	KFAB	
Cc1nc(NC(=O)CN2CCC[C@]3(CC=CCOc4ccccc4C(=O)NCCNC3=O)C2)sc1C	2037879713	MFTOKLUNWUHZEG-AREMUKBSSA-N	511.648	2.666	0	40	KFAB	
CC(=O)Nc1ccc(S(=O)(=O)NCc2cccc(CNS(=O)(=O)c3ccc(NC(C)=O)cc3)c2)cc1	2748780	PPVOXKBXXIVIKB-UHFFFAOYSA-N	530.628	2.560	0	40	KFAB	
COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(O)c2)cc1	7058884	KYFVBSMFZAKCHP-NRFANRHFSA-N	509.588	2.985	0	40	KFAB	
Cc1ccc(CNC(=O)[C@H](C)NC(=O)C2CCN(C(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)cc1	8918392	MYHSTFYQUQCVIJ-UGKGYDQZSA-N	500.640	2.754	0	40	KFAB	biogenic
Cc1cc(=O)oc2cc(OCC(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3OC(C)C)ccc12	12531856	QICQMVJDDZEPLP-UHFFFAOYSA-N	516.572	2.927	0	40	KFAB	
CCc1cc2c(=O)c(-c3nc(C)cs3)coc2cc1O[C@@H](C)C(=O)N[C@H](CC(C)C)C(=O)NCC(N)=O	12654131	YQCYGLFYPYLVLC-HNAYVOBHSA-N	528.631	2.687	0	40	KFAB	biogenic
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)C2)cc1	26111245	AGQNJIGYRJRZQT-SFHVURJKSA-N	507.634	2.519	0	40	KFAB	
COc1ccc(CCN2C[C@@H](C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2=O)cc1OC	32998241	SQLINDOEENHBFK-IBGZPJMESA-N	501.605	2.518	0	40	KFAB	
COc1ccccc1NS(=O)(=O)c1ccc(O)c(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)c1	33694678	RBSCSKKTKHYGAI-UHFFFAOYSA-N	512.496	2.572	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	105497312	YTTBQCQBBGWLEV-VVNKCDPRSA-N	552.605	2.749	0	40	KFAB	
Cc1ccc(S(=O)(=O)NCCNC(=O)COc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1	222683423	PMGLBHMKEZWJSU-UHFFFAOYSA-N	517.629	2.578	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	223440239	ZWZNJXGZQAVWLQ-IBGZPJMESA-N	535.663	2.812	0	40	KFAB	
CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O	224070950	WCGLAPSGFORPIK-KRWDZBQOSA-N	557.454	2.653	0	40	KFAB	
Cc1ccccc1CN(C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C)[C@@H](C)C(=O)NCC(C)C	224131837	UWSPTCLREIRTJE-FQEVSTJZSA-N	506.644	2.936	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O	225460513	CAZBPHCIFFNLJF-INIZCTEOSA-N	554.463	2.887	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N(CC(=O)NCCNS(=O)(=O)c2ccc(C)cc2)Cc2ccccc2)cc1	226064495	AIQKZYPHMOZELB-UHFFFAOYSA-N	545.683	2.679	0	40	KFAB	
COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(F)ccc2OC)C1	408713574	IFWNHGRDIYAPIF-CQSZACIVSA-N	510.540	2.678	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C)c4ccc(Br)cc43)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	409113589	DSRJIPHRTLNFLT-AGGMBTAESA-N	582.432	2.636	0	40	KFAB	
CCOC(=O)[C@H](Cc1ccc(OC(=O)COCC(=O)OCc2ccccc2)cc1)NC(=O)COCC(=O)OCc1ccccc1	2060990691	NMOVQZUKWPLGIS-NDEPHWFRSA-N	621.639	2.702	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)OC)cc3)c(=O)n2[C@@H]1c1ccc(C)cc1	654861	FAUPKXWBCBEVSZ-OBVMJLIASA-N	506.580	2.659	0	40	KFAB	
CN(C)c1ccc(-c2nnnn2[C@H]2CO[C@@H]3[C@@H](NC(=O)Nc4cccc(C(F)(F)F)c4)CO[C@H]23)cc1	3842006	OGPSUJBVJZWFNB-VNTMZGSJSA-N	503.485	2.954	0	40	KFAB	biogenic,in-vitro
CCC[C@H](C(=O)NCCC(C)C)N(CCCOCC)C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1	6501447	WZZDZQSNRJFUGN-OAQYLSRUSA-N	518.659	2.944	0	40	KFAB	
CCOC(=O)CNC(=O)[C@H](c1c[nH]c2ccccc12)N(C(=O)c1snc(C(N)=O)c1N)c1cc(C)cc(C)c1	6546893	WIPWHBBVPHJGEC-QHCPKHFHSA-N	548.625	2.990	0	40	KFAB	
CSCC[C@H](NC(=O)c1ccccc1C)C(=O)OCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O	14356829	QRAFNBOEUSAOEI-NRFANRHFSA-N	510.616	2.826	0	40	KFAB	
Cc1ccccc1C(=O)N[C@H](C(=O)N1CCN(C(=O)c2ccccc2)CC1)S(=O)(=O)c1ccccc1	36625460	WLJXDOQQAZKUAP-VWLOTQADSA-N	505.596	2.509	0	40	KFAB	
CC(=O)Cc1cc(O[C@@H]2O[C@@H]([C@H](COC(C)=O)OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)cc2oc(-c3ccc(OC(C)=O)c(OC(C)=O)c3)cc(=O)c12	85867183	JHUNHTOHTUZTKV-QWENMDFYSA-N	740.667	2.904	0	40	KFAB	biogenic
CC(=O)Nc1ccc(S(=O)(=O)N[C@@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=S)n3-c2ccccc2)cc1	101448316	UUDDOHHBHTUMHG-HXUWFJFHSA-N	539.517	2.542	0	40	KFAB	
CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	223653399	ZZWXXFOXVKNRMO-HXUWFJFHSA-N	501.605	2.562	0	40	KFAB	
Cc1ccc(N([C@@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)cc1Cl	224332596	XLDKTJZOKLTHKG-SFHVURJKSA-N	544.095	2.783	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1	225200901	NDNBEFGXODIORW-HXUWFJFHSA-N	523.611	2.816	0	40	KFAB	
CCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O	225372302	SVGBOFJEEIPNMR-HSZRJFAPSA-N	505.637	2.803	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	225514615	OGLAENVGOWNMRD-RUZDIDTESA-N	526.634	2.825	0	40	KFAB	
CC(C)Cc1nc2ccccc2n1CC(=O)N1CCC2(CC1)COC[C@@](C)(O)[C@H](n1cnc3c(N)ncnc31)C2	257299554	RQMSITQYKXWTIC-SKCUWOTOSA-N	546.676	2.978	0	40	KFAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(=O)O)cc3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	409103725	BMUAVQQCNPZXPS-MGSPXPDISA-N	535.622	2.819	0	40	KFAB	
CCCN1C(=O)N/C(=C/c2cc(Br)c(OCC(=O)O)c(I)c2)C1=O	409244033	WOLQBCYBEPVLTA-IZZDOVSWSA-N	509.094	2.820	0	40	KFAB	
CCOC(=O)CN1C(=O)/C(=c2\sc3n(c2=O)[C@@H](c2cc(Br)ccc2OC)C(C(=O)OCC)=C(C)N=3)c2ccccc21	409387437	IPMIFYFQBMWHTG-MYXKAAJQSA-N	640.512	2.849	0	40	KFAB	
COc1ccc([C@@H](CC(=O)Nc2ccc(C(=O)NCC(=O)O)cc2)c2c(O)cc(C)oc2=O)c(OC)c1OC	524730452	JOYDMNWJBUHQIR-GOSISDBHSA-N	540.525	2.655	0	40	KFAB	biogenic
CC(C)[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)N2CCC(Oc3ccc(F)cc3)CC2)CCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N1	643571835	KONFNSKTKYZNOM-AWCRTANDSA-N	648.736	2.758	0	40	KFAB	
COC[C@H](C)n1c(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)nc2ccccc2c1=O	3453439	BRJLIOTVDIVNDI-ZWKOTPCHSA-N	546.671	2.744	0	40	KFAB	
CC(=O)O[C@H]1[C@H](OC(=O)c2ccc(C)cc2)[C@@H](COC(=O)c2ccc(C)cc2)O[C@H]1n1cc(I)c(=O)[nH]c1=O	5223294	NRUPRHFQGBCWJJ-PIATZUFCSA-N	648.406	2.670	0	40	KFAB	biogenic,in-vitro
COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(OC)cc2)cc1	7059815	VGDFQLJTRJMZHT-DENIHFKCSA-N	539.614	2.525	0	40	KFAB	
O=C(COC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)NC(=O)C1CCCCC1	12637421	LFFAOSKLEWAFCI-UHFFFAOYSA-N	504.527	2.872	0	40	KFAB	
C[C@@H](O)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OCc1ccccc1	19892070	CHTJGNNQGAAYAL-BTZRARBUSA-N	506.555	2.839	0	40	KFAB	
COc1cc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4ccccc4)CC3)c(=O)[nH]c2cc1OC	20080745	RRQGSJQKZGJBGZ-LVXARBLLSA-N	531.617	2.622	0	40	KFAB	
COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCCN4CCOCC4)CC(=O)N32)cc1OC	20411735	BYJOPWCQKZHZTA-NEKDWFFYSA-N	518.614	2.592	0	40	KFAB	biogenic
COc1ccc(-c2nn3c(=O)cc(CN4CCN(S(=O)(=O)c5ccc(C)cc5C)CC4)nc3s2)cc1	41085921	ZCLJIXKFRINDPB-UHFFFAOYSA-N	525.656	2.950	0	40	KFAB	
COC(=O)c1ccc(NC(=O)c2cn(C)nc2S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)cc1	67338152	ATTIFSZFXACIAW-UHFFFAOYSA-N	511.604	2.587	0	40	KFAB	
Cn1c(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c(O)c1CN1CCN(c2cccc(Cl)c2)CC1	79194214	NIVKNYONXLJQNU-RTWAWAEBSA-N	536.076	2.848	0	40	KFAB	biogenic
CCCCC(=O)N[C@]1(C(F)(F)F)NC(=O)N(c2ccc(N3C(=O)N[C@](NC(=O)CCCC)(C(F)(F)F)C3=O)cc2)C1=O	98005175	CXPZNCLPOXWBFO-VXKWHMMOSA-N	608.496	2.929	0	40	KFAB	
CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c4c(c(=O)oc3c2)CCCCC4)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	101969390	GZYJQIYKODJQNJ-JBMSBTKCSA-N	560.552	2.524	0	40	KFAB	
C[C@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	102625326	VIRHHEQMCQPPFZ-UPCLLVRISA-N	531.565	2.849	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)cc1	223071699	NETILVUXOXKILX-SFHVURJKSA-N	535.663	2.810	0	40	KFAB	
CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	223969198	FYPKSUNNUUEZEL-OAQYLSRUSA-N	501.605	2.563	0	40	KFAB	
C[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O	224331867	RZYKHXFCDASILB-KRWDZBQOSA-N	563.620	2.840	0	40	KFAB	
COC(=O)c1ccc(C(=O)OC)c(NC(=O)CCc2cc(S(=O)(=O)N3CCCC3)ccc2OC)c1	224624924	GPNQKSKEACRPSP-UHFFFAOYSA-N	504.561	2.624	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	225608648	GAZVBOVPBMKYAU-JOCHJYFZSA-N	526.014	2.871	0	40	KFAB	
CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225686492	JSWATAFONMAFTM-SFHVURJKSA-N	521.611	2.552	0	40	KFAB	
CCc1nccn1CC(=O)N1CC[C@H](Oc2cccc(Br)c2)[C@@H](CC(=O)N2CCN(C)CC2)C1	257304842	SNJMEICWGMUPPM-UGKGYDQZSA-N	532.483	2.668	0	40	KFAB	
COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)C1	260772449	NVVIHKYVJQTPON-QFIPXVFZSA-N	549.715	2.548	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)[C@H](C)C(=O)NC2CCCC2)cc1	260816276	ULZPATBCOPRGPK-HXUWFJFHSA-N	516.664	2.784	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C	261034370	XQCIYHGDWVOBNQ-PMACEKPBSA-N	504.653	2.640	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(CC(=O)N4CCOCC4)c4ccccc34)c(=O)n2[C@H]1c1cccc(OC)c1	409171296	ZPPCEADSDYBSBW-MFISQUFLSA-N	600.697	2.620	0	40	KFAB	
CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)ccc1OCC(=O)O	409207111	RXIUEHYTENMVOV-KEBDBYFISA-N	514.512	2.995	0	40	KFAB	
COc1ccc(CN2CCN(C(C)=O)C[C@](O)(COc3ccc(F)cc3)C2)cc1OCCCn1ccnc1	585281292	YNBBWFXLIFDRKU-NDEPHWFRSA-N	526.609	2.974	0	40	KFAB	
CCOC(=O)[C@@](NC(=O)CC)(Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1)C(F)(F)F	6013568	KLUIQDRJVHIQPX-IBGZPJMESA-N	503.503	2.654	0	40	KFAB	
C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)[C@@H]1C	8670938	CJQSLBHAGYUEPH-VIZSFHNOSA-N	521.680	2.796	0	40	KFAB	
CCOc1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(CC(=O)OCc3ccccc3)c(=O)n2C)cc1	9158162	WYODKQCAPFNVJK-GOSISDBHSA-N	503.559	2.827	0	40	KFAB	
O=C(CNS(=O)(=O)c1ccccc1)NCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1	10041532	SYBDQSYXDTVEPS-DEOSSOPVSA-N	500.960	2.902	0	40	KFAB	
O=c1cc(CN2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)nc2sc(-c3cccs3)nn12	41077422	QGXLFJZCWYFHQT-UHFFFAOYSA-N	509.585	2.664	0	40	KFAB	
Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)c1	59851829	VWRKODLYDCADCV-UHFFFAOYSA-N	573.693	2.820	0	40	KFAB	
CC[C@H](C)[C@@H](NC(=O)CNC(=O)Cc1c(C)c2cc3c4c(oc3cc2oc1=O)CCCC4)C(=O)N[C@H](C)C(=O)O	70706369	OBSGAOGEHDIFKX-LKOFHKMLSA-N	553.612	2.505	0	40	KFAB	biogenic
NC(=O)c1c(NC(=O)CSc2nc3ccccc3c(=O)n2CCCN2CCOCC2)sc2c1CCCC2	97982505	HNPODKPDFBHSJG-UHFFFAOYSA-N	541.699	2.889	0	40	KFAB	
O=C(O)CN1C(=O)[C@H]2[C@@H]3C[C@H]([C@H]4Sc5[nH]c(=O)sc5[C@H](c5ccc(Br)cc5)[C@H]34)[C@@H]2C1=O	102865357	BKXAIHBEWJHDDZ-SWYAGOLHSA-N	521.414	2.757	0	40	KFAB	
COCCN(C(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1F)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	103090441	HVPPADXZRVZWFX-UHFFFAOYSA-N	602.648	2.777	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	222529904	GVVZEQBFHPDVNW-XMSQKQJNSA-N	533.647	2.912	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O	222854450	CAZUEDPPDRIUHZ-AREMUKBSSA-N	539.654	2.856	0	40	KFAB	
Cc1ccc(N(CCCC(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)cc1	224328288	GYHYHIRNZTXWGF-UHFFFAOYSA-N	523.677	2.521	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(S(=O)(=O)N4CCCC4)ccc3OC)CC2)cc1	225497546	REPHFSWIZJLQOE-UHFFFAOYSA-N	537.660	2.528	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	225511608	GXOJCHGUCWOVLS-HSZRJFAPSA-N	523.611	2.567	0	40	KFAB	
O=C([C@H](CCCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)N1CCCCCC1	408684590	PEVFDMPWWJFREK-UQDXHWBWSA-N	519.642	2.542	0	40	KFAB	
COc1cc(CN2CCN(C(C)=O)C[C@@](O)(COc3ccccc3)C2)ccc1OCCCN1CCCC1=O	585281482	JSJLLMWUJYIDLB-GDLZYMKVSA-N	525.646	2.561	0	40	KFAB	
COCCOCC(=O)Oc1cc(OC(=O)COCCOC)c2c(=O)c(-c3ccc(OC)cc3)coc2c1	2061000469	WGISGADDBTYQCP-UHFFFAOYSA-N	516.499	2.605	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(=O)OC)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	1209178	QYMIXTGMKUXSQF-QCHPHUCNSA-N	522.579	2.602	0	40	KFAB	
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C(=S)NC(=O)c4ccc(F)cc4)CC3)cc21	2300761	YMBBRFTWUIAWGK-UHFFFAOYSA-N	500.527	2.835	0	40	KFAB	
CCOC(=O)C1CCN([C@H](c2cc3ccc(OC)cc3[nH]c2=O)c2nnnn2Cc2ccc(OC)cc2)CC1	6194827	UNSOWAHTGVXNKU-RUZDIDTESA-N	532.601	2.945	0	40	KFAB	
CCOc1ccc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1	6601193	OBLFGRXGYPLMRA-XMMPIXPASA-N	529.640	2.788	0	40	KFAB	
Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1	12850894	AFKVBNDLNXRYID-UHFFFAOYSA-N	508.618	2.515	0	40	KFAB	
CC(=O)OC[C@H]1O[C@@H](Oc2cccc(Oc3ccccc3)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	16321734	FFJCMQMRBBJWRR-PUHDZGQXSA-N	516.499	2.941	0	40	KFAB	
COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(Cc2ccccc2)C(=O)c2snc(C(N)=O)c2N)cc1OC	38145147	OLXWZOLDKFMFMJ-WZONZLPQSA-N	553.641	2.520	0	40	KFAB	
CCOc1cc(C(C2C(=O)N(C)C(=S)N(C)C2=O)C2C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1O[C@H](C)CC	100389029	DPFYLHRGPKRCQM-GFCCVEGCSA-N	627.583	2.772	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O	222851062	XVCILEXPXKTVBP-INIZCTEOSA-N	526.453	2.695	0	40	KFAB	
COc1ccc(CN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)cc1	222938344	ZOMXKRCHFFVRJP-NRFANRHFSA-N	567.664	2.919	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O	223061428	GTLDIBPTYOYTQH-INIZCTEOSA-N	538.464	2.971	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223633805	SGIPRHFURXLVKA-HXUWFJFHSA-N	517.648	2.866	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O	223789371	IWPIASBYOGJXKB-OAHLLOKOSA-N	514.417	2.908	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	225404212	GDCKBAIAJAGXJN-WOJBJXKFSA-N	547.674	2.955	0	40	KFAB	
O=C(Nc1nnc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)s1)c1ccc(Cl)cc1	225648937	FPEWXACHTMOSSK-UHFFFAOYSA-N	522.008	2.679	0	40	KFAB	
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	253534464	NEBPBFLVSYFRQE-OBENLUOVSA-N	822.986	2.789	0	40	KFAB	biogenic
COCC(=O)N1CCN(Cc2ccc(OCCn3c(=O)n(C)c4ccccc43)cc2)C[C@@](O)(COc2ccc(C)cc2)C1	585274221	UKKAITNQXUUROC-XIFFEERXSA-N	588.705	2.828	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(Cc3ccc4c(c3)OCO4)[C@@H](C)C(=O)NC3CCCCC3)n2)cc1OC	886345	VZYLKIWYZAOHEA-SFHVURJKSA-N	550.616	2.952	0	40	KFAB	
CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)sc2c1CCN(C(C)=O)C2	3007269	PQKGNVKBPKQVFC-UHFFFAOYSA-N	505.618	2.866	0	40	KFAB	
CSCC[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)OCC(=O)c1ccc(Cl)s1	3425773	AAMDIVQRRNYRPL-CYBMUJFWSA-N	506.023	2.999	0	40	KFAB	
CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1	12976413	DQASGIPDTJCZEC-LEWJYISDSA-N	513.632	2.555	0	40	KFAB	
Cc1ccc(C)c(N(CC(=O)NC(C)(C)C)C(=O)C[S@@](=O)CC(=O)Nc2ccc3c(c2)OCO3)c1	19941142	RSGCDHVGZUXZTH-PGUFJCEWSA-N	501.605	2.667	0	40	KFAB	
Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(Cc4ccco4)CC3)cc2c1	20083241	OVSAYTLMKXPHOM-WIOPSUGQSA-N	503.607	2.811	0	40	KFAB	
COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1C(=O)NC(C)C	26112321	WAEYPEVSHCTNKA-UHFFFAOYSA-N	510.619	2.892	0	40	KFAB	
COc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)c2)cc1	33028999	KSJMUGCEOGMKAA-UHFFFAOYSA-N	515.613	2.643	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@@H](Oc2cccc(Oc3ccccc3)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	35182991	FFJCMQMRBBJWRR-WBAQKLHDSA-N	516.499	2.941	0	40	KFAB	
NS(=O)(=O)c1ccc(CNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1	59837452	QZWGAFWNNOELAU-UHFFFAOYSA-N	552.472	2.604	0	40	KFAB	
COC(=O)c1sc(NC(=O)COC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)c(C(=O)OC)c1C	103085647	IEIXWLAURDDEMG-UHFFFAOYSA-N	582.653	2.999	0	40	KFAB	
COc1ccc(C(=O)OCC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1S(=O)(=O)N(C)Cc1ccccc1	103139304	URORZJUXTPOPPN-UHFFFAOYSA-N	589.692	2.870	0	40	KFAB	
CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O	223433180	OFJRROFWRWNCDK-IBGZPJMESA-N	512.028	2.677	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccccc2OC)cc1	409024259	IRJKPBDRPKGKOM-UHFFFAOYSA-N	553.637	2.972	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCCC4)cc3)c(=O)n2[C@H]1c1ccc(F)cc1	409150369	BJKYPHZTMNFUCF-WALVNQSHSA-N	549.624	2.939	0	40	KFAB	
O=S1(=O)CC[C@H](N(CC[C@H]2CCCO2)S(=O)(=O)c2cc(Br)ccc2Br)C1	575420908	FOFNIPFTBUTHMS-UONOGXRCSA-N	531.288	2.959	0	40	KFAB	
COCCC(=O)N1CCCCNC(=O)c2cc(Cl)ccc2OC[C@@H](Cc2ccccc2)NC(=O)C1	643556074	ILQRVQPUMYLJRS-OAQYLSRUSA-N	502.011	2.835	0	40	KFAB	
O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	22246306	SGSKBLSJYCDENW-XMMPIXPASA-N	507.612	2.649	0	40	KFAB	
COc1ccccc1N1CCN(C(=O)CSc2nnc3c(=O)n(Cc4ccccc4F)ccn23)CC1	49421443	KCFRBEGFRCDIMZ-UHFFFAOYSA-N	508.579	2.528	0	40	KFAB	
CC(C)C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1oc2cc(O)ccc2c(=O)c1-c1ccc(Br)cc1)C(=O)NCC(N)=O	100085486	KUFVCHZPRVIJSR-RTWAWAEBSA-N	627.492	2.665	0	40	KFAB	
COC(=O)[C@@]1(c2ccccc2)N[C@H](c2ccc(OC)cc2OC)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21	100422158	VCVXVWDIPVACJE-MMGVRFDJSA-N	544.560	2.994	0	40	KFAB	
CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c4c(c(=O)oc3c2C)CCCCC4)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	101969402	JELIPEDUSHCZAP-IOLXHVLYSA-N	574.579	2.832	0	40	KFAB	
CCOC(=O)N1CCN(C(=O)c2nc(-c3ccc(OC)cc3)cc3c2nc(C)n3[C@H]2CCS(=O)(=O)C2)CC1	102449535	BVOKJRVPBWLREN-IBGZPJMESA-N	541.630	2.689	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O	222863529	XZEJTVUBILTDJJ-VWLOTQADSA-N	527.618	2.986	0	40	KFAB	
COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@@H](C)C(=O)NCc2ccc(Cl)cc2Cl)cc1	222968760	LFWFJMUKCYFOEY-HNNXBMFYSA-N	516.447	2.927	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O	223980301	RZQOJGJHMLKORP-INIZCTEOSA-N	526.453	2.777	0	40	KFAB	
Cn1cc(-c2ccc3c(c2)OCC[C@@H]2CC[C@H](O)[C@@H](CNC(=O)[C@@H]4CN(C5CCC(F)(F)CC5)CCN4C3=O)O2)cn1	253406636	UUSARIRXBVXOHY-WVAUJHLCSA-N	587.668	2.599	0	40	KFAB	
Cc1ccccc1CN(C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O)[C@H](C)C(=O)NC(C)(C)C	260983885	OODBMUWMKGGNMN-LJQANCHMSA-N	517.648	2.864	0	40	KFAB	
CCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Cl)c(Cl)c3)C2)cc1	408654542	KBXDKRXKMTVSPY-HNNXBMFYSA-N	522.341	2.845	0	40	KFAB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4ccc5c(c4)OCCO5)c(=O)n32)cc1OCC	408935422	DUAGDYOLSJOFLI-JDQXFBDKSA-N	522.579	2.587	0	40	KFAB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(NC(C)=O)cc4)c(=O)n32)cc1OCC	408945245	NJJMVCCLDRIAHE-XKKBFUJGSA-N	521.595	2.774	0	40	KFAB	
CC(C)NC(=O)c1ccccc1NC(=O)CN(c1ccc(I)cc1)S(C)(=O)=O	409024196	BHNUFOOZPHLHSR-UHFFFAOYSA-N	515.373	2.834	0	40	KFAB	
COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)[C@@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1	583652772	CBLJBHDNSYMNRK-TUNNFDKTSA-N	503.640	2.805	0	40	KFAB	biogenic
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	622865	JILDPVKNOZHPEN-MFUBYVTQSA-N	522.579	2.741	0	40	KFAB	
COc1ccc(N2C(=O)NC(=O)[C@](Cc3ccc(OC)cc3OC)(CN3C[C@H]4C[C@H](C3)c3cccc(=O)n3C4)C2=O)cc1	1321547	WFKHUKHQHCPQFL-ATSSPLHLSA-N	586.645	2.805	0	40	KFAB	
COc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)c2snc(C(N)=O)c2N)c2ccc3c(c2)OCO3)cc1	6074601	QLCDJSRHAOSIQR-HXUWFJFHSA-N	525.587	2.864	0	40	KFAB	
CCOc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(OC)c2)cc1	6601726	ZASYEWUHLKVCLW-NFBKMPQASA-N	553.641	2.915	0	40	KFAB	
COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCC2)c2ccc(O)cc2)cc1	6973723	IXDPXJTYZPMWLR-OAQYLSRUSA-N	509.588	2.985	0	40	KFAB	
COc1cccc(NC(=O)Cn2c(=O)n(CCCC(=O)NCc3ccc4c(c3)OCO4)c(=O)c3ccccc32)c1	8593595	HANKPMCLRIWBEY-UHFFFAOYSA-N	544.564	2.636	0	40	KFAB	
O=C(Cn1c(=O)n(-c2ccc(CC(=O)NC3CC3)cc2)c(=O)c2ccccc21)NCc1ccc(Cl)cc1	35377838	RFKLLAXSNLJERD-UHFFFAOYSA-N	516.985	2.943	0	40	KFAB	
COc1ccc(CCNC(=O)Cn2c(=O)n(Cc3nc(-c4ccccc4)no3)c(=O)c3ccccc32)cc1OC	102089219	CGDRMDZKBZSEJF-UHFFFAOYSA-N	541.564	2.638	0	40	KFAB	
O=C1C[C@H](N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)C(=O)N1c1cccc(Cl)c1	102988036	YLSCQVDSWMSZOQ-KRWDZBQOSA-N	501.914	2.997	0	40	KFAB	
CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)Nc2cc(C(=O)OC)ccc2C(=O)OC)c1	103113330	CQEZEHOTSLBCSU-UHFFFAOYSA-N	540.978	2.739	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1	222754951	ULLDGPVKUPYCFR-UHFFFAOYSA-N	509.650	2.683	0	40	KFAB	
CC[C@H](C(=O)Nc1nnc(SCC(=O)OC)s1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O	223052119	RBOLMWOXYXUAIM-LLVKDONJSA-N	509.031	2.649	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	223531388	WXEZZEPTLRWTFT-HXUWFJFHSA-N	519.664	2.846	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)[C@@H](C)C(=O)NC2CCCC2)cc1	224069580	BOIDUGGBMKTFQE-IBGZPJMESA-N	534.654	2.923	0	40	KFAB	
CC(C)=C[C@@H]1C[C@](C)(O)[C@@H]2[C@@H]3CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@@H]7O)[C@@H]6O)C(C)(C)[C@@H]5CC[C@]4(C)[C@@]34CO[C@@]2(C4)O1	253590551	ZQOWXUBGLKIVHR-QFSVQOHMSA-N	736.940	2.782	0	40	KFAB	biogenic
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	265540703	PKWRMUKBEYJEIX-CGKVSFOJSA-N	806.956	2.608	0	40	KFAB	
COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O	408628659	ZPKVSFRHZCPABH-UHFFFAOYSA-N	515.382	2.966	0	40	KFAB	
COc1cc(/C=C2/NC(=O)N(C)C2=O)cc(I)c1OCC(=O)Nc1ccccc1	409189430	GMQNOGIFDDXIFB-OQLLNIDSSA-N	507.284	2.840	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)c1	23762020	VATFEDATFCCPBJ-UHFFFAOYSA-N	526.055	2.795	0	40	KFAB	
CCC(C)(C)NC(=O)[C@@H](c1cccc(OC)c1OC)N(CCN1CCOCC1)C(=O)Cn1nnc2ccccc21	100355733	FPMDHDWCVLEKSQ-AREMUKBSSA-N	552.676	2.655	0	40	KFAB	
CCOC(=O)C1=c2s/c(=C/c3ccccc3)c(=O)n2C(N)=C(S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1	100565436	YXSNTAQFTQIYNG-OEZHIIBRSA-N	544.654	2.809	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O	222707729	UBJODRJWZIDUJJ-CQSZACIVSA-N	502.420	2.931	0	40	KFAB	
CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O	224064968	HLASBQXPPOQDJA-QGZVFWFLSA-N	510.454	2.811	0	40	KFAB	
CCOc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1	224217707	GCVJCQPJUBYBSM-UHFFFAOYSA-N	579.672	2.865	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1	224396624	NVVPIHTZYZESOU-UHFFFAOYSA-N	567.705	2.737	0	40	KFAB	
CCOc1ccc(-c2noc(CNC(=O)CCCN(c3ccc4c(c3)OCCO4)S(C)(=O)=O)n2)cc1	225003598	VDTKKFQNFUERRF-UHFFFAOYSA-N	516.576	2.769	0	40	KFAB	
CS(=O)(=O)N(CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1cc(Cl)ccc1Cl	409026838	ZLWXGNGEQNWKHP-UHFFFAOYSA-N	500.404	2.833	0	40	KFAB	
CCOC(=O)COc1ccc(Br)cc1/C=C1/NC(=O)N(CC(=O)Nc2ccccc2OC)C1=O	409235826	CDTGAGKFUBXPAR-GZTJUZNOSA-N	532.347	2.931	0	40	KFAB	
O=C(C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1CN(Cc1cccnc1)CC2=O)N1CCOCC1	514287645	STIBXUCVOVUEMP-UHOKWYGJSA-N	504.631	2.746	0	40	KFAB	
C[C@H](OC(=O)[C@H](C)Oc1ccc(-c2coc3cc(O[C@H](C)C(=O)O[C@H](C)C(=O)O)cc(O[C@@H](C)C(=O)O[C@@H](C)C(=O)O)c3c2=O)cc1)C(=O)O	2060993794	ZQYXYHRZMDDTPS-BDPHEOEISA-N	702.618	2.811	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	1013442	YEDDRVSWFYTLGB-CEMPLAKHSA-N	509.584	2.966	0	40	KFAB	
O=C(OCCN1C(=O)c2ccccc2C1=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1	3279754	UWPOESHXJBRSMB-UHFFFAOYSA-N	508.508	2.712	0	40	KFAB	
CCC[C@H](C(=O)NC(C)(C)C)N(CCc1ccc(OC)c(OC)c1)C(=O)c1snc(C(N)=O)c1N	6501264	WCUHHGWQGUMLKY-OAHLLOKOSA-N	505.641	2.610	0	40	KFAB	
COc1ccccc1N1CCN(C(=O)[C@H]2CN3CC[C@H]2C[C@@H]3Cn2cc(-c3cccc(O)c3)nn2)CC1	8254007	CQCMNOBSHVYOEB-FJIJXJHWSA-N	502.619	2.719	0	40	KFAB	biogenic,in-vitro
Cc1ccc(NC(=O)Cn2c(=O)n(CCCC(=O)NCc3ccc4c(c3)OCO4)c(=O)c3ccccc32)cc1	8593599	DJBALZVPZLYVSY-UHFFFAOYSA-N	528.565	2.936	0	40	KFAB	
O=C(CS(=O)(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12)Nc1ccccc1C(F)(F)F	9519764	HSQMFYUPSCTTIR-UHFFFAOYSA-N	509.506	2.931	0	40	KFAB	
Cc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@H](C(=O)NC3CCCC3)c3ccc(O)cc3)n2)o1	12702747	JOXMQHYXXWCKDR-URXFXBBRSA-N	508.579	2.755	0	40	KFAB	
CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)C1=O	12940877	RGWNWMGXELRDBC-XMMPIXPASA-N	502.568	2.796	0	40	KFAB	
CCC(=O)c1ccc(OC[C@H](O)CN2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)cc1	16043965	MXIIRMDJYJCLTG-GOSISDBHSA-N	516.538	2.924	0	40	KFAB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CCC(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)CC2)cc1	38140336	LVPYCCYRBXQBCX-DQEYMECFSA-N	543.686	2.739	0	40	KFAB	biogenic
O=C(COC(=O)c1ccccc1Cc1ccccc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1	102281574	INZCBBNPUFNMJQ-UHFFFAOYSA-N	579.675	2.930	0	40	KFAB	
C[C@@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	102625330	VIRHHEQMCQPPFZ-VOIUYBSRSA-N	531.565	2.849	0	40	KFAB	
Cc1ccnc(N(C(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)n1	102937681	AZWDSJHAIQMHKU-UHFFFAOYSA-N	583.692	2.841	0	40	KFAB	
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccc(F)cc4)CC3)cc2)n1	140082773	GQWLGVBDGXUKGX-UHFFFAOYSA-N	547.634	2.905	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O	222509899	SOGSHRQCRQTWMU-VWLOTQADSA-N	527.618	2.986	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1	224466136	UCRGTDOIBZJWLY-SANMLTNESA-N	622.121	2.512	0	40	KFAB	
CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C	224870083	YZNMAWMDFGWZNW-FQEVSTJZSA-N	506.644	2.999	0	40	KFAB	
CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	224905207	JOIHTEIPPYGJGO-JOCHJYFZSA-N	515.632	2.809	0	40	KFAB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCC(=O)OC)c(I)c4)c(=O)n32)cc1OCC	408932042	BAYJVIJWILKMRM-UTWPHBJQSA-N	678.501	2.972	0	40	KFAB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\[C@H]4C(=O)N(c5ccccc5)N=C4C)c(=O)n32)cc1OCC	408932961	GBTBBZZYCNEJAT-QLAPNIHBSA-N	560.632	2.806	0	40	KFAB	
CCOC(=O)COc1c(Br)cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc1OC	409240627	HEWPHEWMZLYNTG-LICLKQGHSA-N	562.373	2.940	0	40	KFAB	
NS(=O)(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2Cl)cc1	409390298	KOSAOZWKZNWLML-UHFFFAOYSA-N	522.004	2.756	0	40	KFAB	
CN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2/C=C\COc2ccccc2CN(C(=O)c2ccccc2)CC3=O)CC1	514287555	LEEGHMCYJPZLCW-TUKPBSOISA-N	530.669	2.906	0	40	KFAB	
COCC(=O)N1CCN(Cc2cccc(OCCn3ccnc3C)c2)C[C@@](O)(COc2ccc(F)c(F)c2)C1	585274250	HSVSNRCYRRQRDB-NDEPHWFRSA-N	544.599	2.649	0	40	KFAB	
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[C@H]3[C@]2(C)[C@@H](O)[C@]34O[C@@H](C[C@@H](C)[C@H]3[C@@]12C)[C@@H](C(C)(C)O)O4	2060993478	HZIBYJCDCHVSPK-YQSJOVQFSA-N	678.860	2.663	0	40	KFAB	
COc1cc([C@H]2c3cc4c(cc3[C@@H](OC(=O)CCC(=O)O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC	4777981	FQGIDCZRZSKLJZ-HRHYPEDYSA-N	514.483	2.825	0	40	KFAB	
CCOC(=O)CNC(=O)[C@H](c1cccs1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)c(C)c1	6547178	DEZAXEHTDIHEAR-IBGZPJMESA-N	515.617	2.570	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O	12864577	JAYZNMHHFMYTAX-AREMUKBSSA-N	528.631	2.974	0	40	KFAB	
C[C@@H](C(=O)NC1CCCC1)N(C(=O)C[S@@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1cccc(F)c1	19941233	SKYVXRNONHIEJZ-IZNSARCZSA-N	517.579	2.722	0	40	KFAB	
Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c(C)c1	20004724	HAOLPGYHRJNZCO-QFIPXVFZSA-N	501.630	2.788	0	40	KFAB	
CCN(CC)CCNC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1	38152358	UIFZAOYFWVYOPX-UHFFFAOYSA-N	544.674	2.569	0	40	KFAB	
CCOC(=O)N1CCN(C(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccc(C)cc2)CC1	44802647	REFJASGOKRYCTA-UHFFFAOYSA-N	505.593	2.508	0	40	KFAB	
CCCSc1ncc(Br)c(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCC(=O)OC)n1	46085582	UWBUQZBDVZHBNC-INIZCTEOSA-N	509.426	2.762	0	40	KFAB	
COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)cc1	59652807	RCJXRKVKPXVZFP-UHFFFAOYSA-N	545.639	2.794	0	40	KFAB	
NS(=O)(=O)c1ccc(CNC(=O)COc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1	59851920	PLLODUNRIHEMTR-UHFFFAOYSA-N	543.545	2.849	0	40	KFAB	
CC(=O)Cc1cc(O[C@@H]2O[C@@H]([C@@H](COC(C)=O)OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)cc2oc(-c3ccc(OC(C)=O)c(OC(C)=O)c3)cc(=O)c12	85867177	JHUNHTOHTUZTKV-UILHBZEUSA-N	740.667	2.904	0	40	KFAB	biogenic
COc1ccc(OC)c(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5C)sc4n3)CC2)c1	102349893	RJRCBEHTRMZESK-UHFFFAOYSA-N	541.655	2.650	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1	103049885	KXNWCGBBUZUFQU-UHFFFAOYSA-N	528.052	2.706	0	40	KFAB	
C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O[C@H]5O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]5O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1ccc(=O)oc1	118929830	PXOPSICDLOGGMK-USEBMNPHSA-N	530.658	2.871	0	40	KFAB	
CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(OC)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	224548736	UHFGLVLSZRRHIM-QFIPXVFZSA-N	513.616	2.706	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3/C(=O)N(C(C)C)c4ccccc43)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1	409143625	HQVZJCZHGBZNQE-PNNQIPOWSA-N	577.659	2.949	0	40	KFAB	
CN1CCC(N2CC(=O)N3CC[C@@H](CC(=O)NCCN4CCCC4)[C@@H](/C=C\COc4ccccc4C2)C3)CC1	514287332	IQTHHEZIYBECAZ-MLDJVVDRSA-N	537.749	2.598	0	40	KFAB	
COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCCC(C)C)c2ccncc2)c(OC)c1	6076932	ACRDZTAJXVFIPQ-OAQYLSRUSA-N	526.619	2.787	0	40	KFAB	
O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCc1ccc(S(=O)(=O)N2CCCC2)cc1	20033119	DODNXHMRTFCNDC-UHFFFAOYSA-N	519.689	2.895	0	40	KFAB	
COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1OC	20046200	GAXHBHJYPFURPP-UHFFFAOYSA-N	525.649	2.817	0	40	KFAB	
CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCN(Cc4ccccc4)CC3)CC2)cc1	38145084	YTMOBGRHJHXSFB-UHFFFAOYSA-N	576.785	2.899	0	40	KFAB	
COc1ccc(-c2nn3c(=O)cc(CN4CCN(S(=O)(=O)c5ccccc5C)CC4)nc3s2)cc1	41085918	CRIOWBLWEILYKQ-UHFFFAOYSA-N	511.629	2.642	0	40	KFAB	
C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)N[C@H](CCC(N)=O)C(=O)O)C(C)C)CC[C@]4(C)[C@@H]3CC[C@@]21C	70687753	KNRYIIYGPWGEQP-MSNLJZCMSA-N	612.768	2.662	0	40	KFAB	biogenic
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@@H](CC(C)C)C(=O)O	70700820	LDVRDOBJIVCDOS-IMNFJDCFSA-N	536.629	2.620	0	40	KFAB	biogenic
CC(C)[C@H](C(=O)O)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H]4Sc5[nH]c(=O)sc5[C@@H](c5ccccc5O)[C@H]34)[C@@H]2C1=O	101174901	CXHOWVXUEZYAFS-PDAPYRGRSA-N	500.598	2.725	0	40	KFAB	
O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccc(Cl)cc2)CC1)Nc1cccc(C(F)(F)F)c1	102253636	JJXBMCXAOCRDLC-NRFANRHFSA-N	537.970	2.837	0	40	KFAB	
COC(=O)Cn1c(=O)c(C(=O)COC(=O)c2cccc(Oc3ccccc3)c2)c(N)n(Cc2ccccc2)c1=O	103113172	MHFPGJBDJZTOPV-UHFFFAOYSA-N	543.532	2.646	0	40	KFAB	
Cc1ccc(S(=O)(=O)NCCNC(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2C)cc1	222796900	UWUHWRIKUQTPPS-UHFFFAOYSA-N	517.629	2.578	0	40	KFAB	
COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)[C@H](C)C(=O)NCCN2CCOCC2)cc1	222943716	BVEIAMLNOVZLKX-HSZRJFAPSA-N	628.723	2.880	0	40	KFAB	
Cc1c(Cl)cccc1N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)S(C)(=O)=O	224367619	OGZGUTCZYPNYTO-UHFFFAOYSA-N	544.095	2.784	0	40	KFAB	
C[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O	224375207	CQJIPQRDCNLAKS-GOSISDBHSA-N	544.095	2.864	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	224859160	GCNZTGOGUFAJIO-QGZVFWFLSA-N	509.600	2.552	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)NC(C)C)c1ccc2c(c1)OCCO2	225692407	OMCMMPHAUCZQRQ-FQEVSTJZSA-N	517.648	2.598	0	40	KFAB	
COc1ccc(N(CC(=O)Nc2ccc(CC(N)=O)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	226012571	OODHNGMUIGVRIM-UHFFFAOYSA-N	513.572	2.574	0	40	KFAB	
CC(C)(O)CCC(=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@H](O)C4(C)C)[C@@]3(C)C(=O)C[C@]12C	253610394	VVBWBGOEAVGFTN-UZQRAHGHSA-N	520.707	2.944	0	40	KFAB	biogenic
CC(=O)OC[C@@H]1O[C@H](NC(=S)Nc2ccc(Oc3ccccc3)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	254696510	RPGZUPIDELFEPL-FYQRJBHISA-N	574.608	2.848	0	40	KFAB	
COC(=O)[C@H]1CN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)c2ccccc2O1	260734194	GSGSNVDPHNQJHD-MGPUTAFESA-N	523.405	2.817	0	40	KFAB	
COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)N[C@H](C)c3ccc(S(C)(=O)=O)cc3)Oc3ccccc32)cc1	260917296	CXIZOLZQMBPUOQ-OSPHWJPCSA-N	530.624	2.932	0	40	KFAB	
COC(=O)COc1cc(Br)c(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1OC	409102214	DDSGBCDKWDIANI-CAOOACKPSA-N	532.347	2.849	0	40	KFAB	
CC(=O)N1CCN(Cc2ccc(OCCCN3C(=O)NC(C)(C)C3=O)cc2)C[C@](O)(COc2ccc(C)cc2)C1	585279722	GEACXANZBASLTB-SSEXGKCCSA-N	552.672	2.569	0	40	KFAB	
C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)/C=C/c1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1	4377942	NYLCWEVWTNOQJC-PSSQXEACSA-N	555.634	2.669	0	40	KFAB	
Cc1nc2ccccc2nc1OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1	13527349	QUIRKGALKHUOBT-UHFFFAOYSA-N	511.604	2.577	0	40	KFAB	
CC(C)NCCCn1c(Cc2cc3c(cc2I)OCO3)nc2c(N)nc(F)nc21	13679217	JPPCGDGMQGJGQK-UHFFFAOYSA-N	512.327	2.860	0	40	KFAB	in-vitro
COc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)C2CCN(C(=O)[C@H](N)CC(C)C)CC2)cc1	15972621	ABBQZJVLQUVQLN-FTJBHMTQSA-N	508.663	2.651	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2Cl)C1=O	64621944	UXSNYDQSKVOIOM-HSZRJFAPSA-N	555.440	2.728	0	40	KFAB	
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O)C(C)C)C(=O)O	70707207	WFZLZHKZCBUWEJ-SDHOMARFSA-N	561.639	2.711	0	40	KFAB	biogenic
CCOC(=O)C1=C(CC)Nc2ccccc2N=C1NC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1	103022881	KYLRAWYNSSWLOA-UHFFFAOYSA-N	556.641	2.758	0	40	KFAB	
COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)cc1S(=O)(=O)N1CCCC1	103038009	UVBHZTUGUYXHPI-UHFFFAOYSA-N	577.603	2.525	0	40	KFAB	
CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	223589223	OCKYLUUZEHVHJV-NRFANRHFSA-N	503.621	2.905	0	40	KFAB	
CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C	224929032	IKSMWUCVDFRAEC-DEOSSOPVSA-N	518.680	2.888	0	40	KFAB	
CC(C)CS(=O)(=O)N1CC2(CCN(CC(=O)Nc3ccc4c(c3)n(C)c(=O)n4C)CC2)CCC1(C)C	257266062	MBKONYNCZNXXTI-UHFFFAOYSA-N	519.712	2.758	0	40	KFAB	
O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1)NCCN1CCOCC1	408623513	RVETXGGDAGTYBX-UHFFFAOYSA-N	530.872	2.742	0	40	KFAB	
COc1cc(OC)cc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3ccc(Br)c(C)c3C)CC2=O)c1	408651321	DEDMETUBTJSWAV-MRXNPFEDSA-N	548.390	2.758	0	40	KFAB	
CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C4/C(=O)N(C)c5ccccc54)c(=O)n32)cc1	409118359	PFTLSFVSUXUYDG-ZHHPLPSFSA-N	517.607	2.932	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(CC(=O)N4CCOCC4)c4ccccc34)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	409173501	IXVRHFJQAZUHMS-CWPZDHDOSA-N	630.723	2.629	0	40	KFAB	
O=C(N[C@H](NC(=S)N1CCOCC1)C(Br)(Br)Br)c1ccccc1	3212751	LWDXEOWIGYTQIJ-GFCCVEGCSA-N	530.080	2.788	0	40	KFAB	
CC(=O)OC[C@H]1O[C@@H](Sc2ccccc2)[C@@H](N[C@@H](O)C(Cl)(Cl)Cl)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	8497605	KOGJCNZKPPVDLZ-LHIBYTEYSA-N	544.837	2.577	0	40	KFAB	
COc1cc(OC)cc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)o2)c1	9412899	BNGIWKLYNZXZLM-GJZGRUSLSA-N	502.549	2.804	0	40	KFAB	
COC(=O)c1cccc(NC(=O)CSc2nnc(CNC(=O)/C=C/c3ccc(OC)c(OC)c3)n2C)c1	10041125	UOVSXCQZYMQREB-PKNBQFBNSA-N	525.587	2.679	0	40	KFAB	
Cc1c(NC(=O)CN2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)c(=O)n(-c2ccccc2)n1C	13114544	MMJMMVJYFKDUHA-UHFFFAOYSA-N	525.675	2.727	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)Cc2cccc(Cl)c2)cc1	20030741	XXHWDXXZCPWVAK-UHFFFAOYSA-N	522.048	2.803	0	40	KFAB	
COC(=O)c1ccc2c(=O)n(CCCC(=O)N3CCN(c4ccc(C(C)=O)cc4)CC3)c(S)nc2c1	32959249	RUFGQWDAIGHBIN-UHFFFAOYSA-N	508.600	2.803	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)C2)cc1C	59838585	MLYFFPJPWJFQNX-NRFANRHFSA-N	535.688	2.505	0	40	KFAB	
O=C1CSC(=O)N1CCN(c1ccccc1)[C@H]1SC(=O)N(CCN2C(=O)c3ccccc3C2=O)C1=O	101112356	NCANAJCRUIFUFJ-QFIPXVFZSA-N	524.580	2.506	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	222594157	RRJLLUBPVGDDNW-SIKLNZKXSA-N	517.648	2.946	0	40	KFAB	
C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	223896038	UITVEZHSIPHXEV-KRWDZBQOSA-N	501.580	2.836	0	40	KFAB	
CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	223958677	FPXGBSSPGZVVGD-INIZCTEOSA-N	554.463	2.887	0	40	KFAB	
CO[C@H](/C=C/CC/C=C/C(=O)O)[C@H](O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](C)C(=O)CCCC1CC(=O)NC(=O)C1	253389307	HJCZOTBHYAPUHT-DSRFTTAWSA-N	507.624	2.711	0	40	KFAB	biogenic,in-vitro
Cc1cccc(CN(C(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCC2)c1	260790042	NCCRXKXKGJEUEO-LJQANCHMSA-N	515.632	2.966	0	40	KFAB	
Cc1cc(NC(=O)COc2ccc(N3C[C@H](C(=O)NCCN4CCOCC4)CC3=O)cc2)ccc1Br	408583094	YUHHIMIBYBQSEM-LJQANCHMSA-N	559.461	2.576	0	40	KFAB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	409153543	IFTAFTJFAXHUCE-JVWWBHMJSA-N	683.739	2.911	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OCCn3cc(C)cn3)c(OC)c2)C[C@@](O)(COc2cc(F)cc(F)c2)C1	585274945	SAWXBBKYAXJQEV-LJAQVGFWSA-N	574.625	2.658	0	40	KFAB	
CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(=O)[C@@H](C)[C@@H](C)c4ncccc4C(=O)OC[C@@]4(C)O[C@]1([C@@H](OC(=O)c1ccco1)[C@H]4[C@H](OC(=O)c1cccnc1)[C@@H]2OC(C)=O)[C@]3(C)O	2061000515	PMRSIAJYXABCTQ-DEKRQDDUSA-N	920.874	2.609	0	40	KFAB	
Cc1ccc(C)c(N2CCN([C@@H](c3cc4cc5c(cc4[nH]c3=O)OCO5)c3nnnn3C[C@@H]3CCCO3)CC2)c1	6195722	FBRVWZQKWAQBSG-IDISGSTGSA-N	543.628	2.951	0	40	KFAB	
Cc1ccc2cc(CN(CCCN3CCOCC3)Cc3nnnn3Cc3ccccc3)c(=O)[nH]c2c1C	12832958	XZUIWKMYWMBBCE-UHFFFAOYSA-N	501.635	2.904	0	40	KFAB	
CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)Nc1c(Cl)cc(Cl)cc1Cl	13774372	DZVCIZYWXBFEKF-RYQLBKOJSA-N	512.726	2.944	0	40	KFAB	
COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(F)cc2)cc1OC	100309860	GARJFSUJRASRPY-VGOFRKELSA-N	557.604	2.664	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCC(N(C)C)CC4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1OC	105497306	VCKQKRWGGZMHLW-VEOZPNHKSA-N	580.707	2.939	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1	139982972	CAWMOJCSUKIIHH-UHFFFAOYSA-N	572.105	2.550	0	40	KFAB	
CCOc1cc([C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4C[C@H]([C@@H]23)[C@H]2C(=O)N(CCCC(=O)O)C(=O)[C@H]42)ccc1O	245319100	ZFUKKOJNNQZJMT-PGZCUKQRSA-N	530.624	2.879	0	40	KFAB	
COC(=O)/C=C/[C@]12COC(C)(C)[C@@H]1[C@H](O)[C@H](OC(C)=O)[C@]1(C)[C@@H]2CC[C@]2(C)[C@H](c3ccoc3)OC(=O)[C@@H]3O[C@@]312	252507095	XWOZTQQJYJMHSX-YJSWUDGWSA-N	544.597	2.885	0	40	KFAB	biogenic,in-vitro
CC(C)(C)CC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4ccc(S(C)(=O)=O)cc4)C[C@H]3C(=O)NC[C@H]1O2	253399288	IUHDOXZSDQEJQM-BJBOMGFNSA-N	654.830	2.784	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)[C@H](C)C(=O)NC(C)(C)C)c1	260813267	VGWYEZDKSHJPEK-GOSISDBHSA-N	535.663	2.810	0	40	KFAB	
COc1cc(OC)cc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3cccc(Cl)c3Cl)CC2=O)c1	408662075	WXUSWPZNMTZYJZ-CYBMUJFWSA-N	510.330	2.686	0	40	KFAB	
O=C([C@H](CCCCN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)N1CCCCCC1	408681025	IUGOSLKBUXVTBK-IICAHERZSA-N	523.674	2.990	0	40	KFAB	
O=C(Cn1cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)c2ccccc21)NCc1ccccc1	409136431	RGDKWFZADZWJHM-UCQKPKSFSA-N	518.595	2.853	0	40	KFAB	
CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)OCC(=O)N3CCc4ccccc43)cc2)cc1	2625574	NKJPZNIUSSLHAE-UHFFFAOYSA-N	537.594	2.981	0	40	KFAB	
CC(C)C[C@H]1NC(=O)[C@@H](C(C)C)NC(=O)C[C@@H](C)COC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](C(C)C)NC(=O)[C@@H](C(C)C)OC1=O	5048505	CWCLCJUWNJYVCD-NPXULSIJSA-N	638.847	2.823	0	40	KFAB	
COc1ccc([C@@H](C(=O)NCc2ccccc2)N(Cc2cccnc2)C(=O)c2snc(C(N)=O)c2N)cc1OC	6162728	NHECBFJVSXKNOG-DEOSSOPVSA-N	560.636	2.937	0	40	KFAB	
O=c1[nH]c2cc3c(cc2cc1CN(Cc1ccc2c(c1)OCO2)C(=S)NCCCN1CCOCC1)OCCO3	6445971	YXBFDXLLBAPYNV-UHFFFAOYSA-N	552.653	2.627	0	40	KFAB	
COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2F)cc1	7059071	HMBMSCMORITEHI-IERDGZPVSA-N	527.578	2.655	0	40	KFAB	
CCN(c1ccc(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1)S(=O)(=O)c1ccc(C)cc1	19938040	BFGMPDROXVWYBR-UHFFFAOYSA-N	503.602	2.875	0	40	KFAB	
COc1ccc(NS(=O)(=O)c2cc(NC(=O)CN3C(=O)NC4(CCCCC4)C3=O)ccc2C)cc1	32999843	GQYDWPZPCJWYEM-UHFFFAOYSA-N	500.577	2.998	0	40	KFAB	
O=C(COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc3c(c1)OCO3)CC2)N[C@H]1CCS(=O)(=O)C1	33707449	DHKOKBJLEIPRHU-PNDHZVEESA-N	520.563	2.910	0	40	KFAB	
CCn1cc(C(=O)NCc2ccccc2OC)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1	67338509	KNEVMSDKNHORGF-UHFFFAOYSA-N	511.648	2.969	0	40	KFAB	
COc1ccc(C[C@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1OC	100472022	XDHAXZWLLZFTRN-VWLOTQADSA-N	539.654	2.874	0	40	KFAB	
CCOC(=O)C1=c2s/c(=C/c3ccc(OC)cc3)c(=O)n2C(N)=C(S(=O)(=O)c2ccccc2)[C@H]1c1ccc(OC)cc1	102649828	NWTJMCVDWNDDAQ-GRBCXPRBSA-N	604.706	2.826	0	40	KFAB	
COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1	103020227	FOLGRYYMPSGOMC-QHCPKHFHSA-N	529.640	2.700	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O	223012886	HKRUQYSZTPBAIZ-MRXNPFEDSA-N	538.464	2.971	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/[C@@H]3C(=O)N(c4ccccc4)N=C3C)c(=O)n2[C@H]1c1cccc(OC)c1	409023518	XWZRCALJOGKCGP-WSLJZXJOSA-N	530.606	2.798	0	40	KFAB	
CC(C)C[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCc2cccc(CN3CCCC3=O)c2)CC(=O)N2CCC[C@H]2C(=O)N1	643565107	BFYKORSDJUCFLU-PKXQUSJVSA-N	617.747	2.528	0	40	KFAB	
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[C@H]3[C@]2(C)[C@@H](O)[C@]34O[C@@H](C[C@@H](C)[C@H]3[C@@]12C)[C@H](C(C)(C)O)O4	2060993475	HZIBYJCDCHVSPK-JKZVCDEBSA-N	678.860	2.663	0	40	KFAB	
O=C(c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1	3452365	JQJPDXQWDQHEKI-UHFFFAOYSA-N	501.502	2.828	0	40	KFAB	
CC[C@H](C)[C@H](NC(=O)[C@@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O	4574680	MLLNBNIWCJUKEH-WBWGFTFRSA-N	582.698	2.757	0	40	KFAB	
C[C@H]1CCC[C@@H](NC(=O)COC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)[C@@H]1C	8670941	CJQSLBHAGYUEPH-MIZPHKNDSA-N	521.680	2.796	0	40	KFAB	
COc1ccc(OC)c(NC(=O)CSc2nc(-c3ccc(F)cc3)nc3c2c(=O)n(C)c(=O)n3C)c1	9382399	FPMDWGNBQYXMBV-UHFFFAOYSA-N	511.535	2.581	0	40	KFAB	
CS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)nn1	11027583	XFMMUTAUFUTNCG-UHFFFAOYSA-N	500.602	2.974	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN(c3cc(Cl)ccc3Cl)S(C)(=O)=O)CC2)cc1	13674038	YPKXOADYSCXCAP-UHFFFAOYSA-N	520.460	2.601	0	40	KFAB	
COc1ccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(c3c(Cc4ccccc4)c(C)nc4ncnn34)CC2)c(OC)c1	17433889	XRRYOZOJNNERSV-HHHXNRCGSA-N	571.682	2.873	0	40	KFAB	
COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(Cc2cccs2)C(=O)c2snc(C(N)=O)c2N)cc1OC	38145150	JWSABGHLQULOKB-VFNWGFHPSA-N	559.670	2.582	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1	59923755	UKHINZCAWTXUEP-UHFFFAOYSA-N	545.643	2.959	0	40	KFAB	
COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(C)c2)cc1OC	100309688	ZZGSXYJFAFTYGO-JPYJTQIMSA-N	553.641	2.833	0	40	KFAB	
COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1OCCOc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)OC	100926328	YGVNRJDECUGHMA-PSWAGMNNSA-N	550.568	2.746	0	40	KFAB	
O=c1cc(CN2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)nc2sc(-c3cccc(F)c3)nn12	102350251	ZYDFDLUOZADEQP-UHFFFAOYSA-N	521.546	2.742	0	40	KFAB	
CCC(=O)N1C2C3N(C(=O)CC)[C@@H]4[C@@H](N3C(=O)CC)N(Cc3ccccc3)[C@H]([C@H]1N4Cc1ccccc1)N2C(=O)CC	102789145	MQKHUBKLDDDSDY-IFABLKAXSA-N	572.710	2.956	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	222533339	MSTWDBBKANYOSQ-HSZRJFAPSA-N	523.586	2.746	0	40	KFAB	
COCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O	223510684	HMXVASLFFYOMSA-NDEPHWFRSA-N	553.681	2.990	0	40	KFAB	
C[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)N(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O	224253792	IGDAKNUEBLMADR-AWEZNQCLSA-N	572.027	2.959	0	40	KFAB	
CC(C)CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O	224307733	JDMUBNQGQRTVEK-SFHVURJKSA-N	503.596	2.940	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	224425355	VTXILOKIPGKLCL-UHFFFAOYSA-N	553.678	2.596	0	40	KFAB	
CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC(=O)OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cc1	409049690	ZPOFIDOICKEGNV-PZKKRVAUSA-N	638.695	2.691	0	40	KFAB	
Cc1nccc([C@H]2CN(C(=O)CN3CCC4(CCCCc5ccccc5OCCNC4=O)CC3)CCO2)n1	643558105	CDSVAKUUOLOCRD-AREMUKBSSA-N	521.662	2.689	0	40	KFAB	
CCc1nnc(NC(=O)CN2CC[C@@H]3NC(=O)[C@H](Cc4ccccc4)NC(=O)C4(CC=CC[C@H]3C2)CCOCC4)s1	1615126689	MTMPFXKWQHCERT-HJOGWXRNSA-N	580.755	2.720	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCO4)c(=O)n2[C@H]1c1ccc(OC)cc1OC	707828	QOILFRKAJBWDCB-YOURIZNBSA-N	508.552	2.544	0	40	KFAB	
CCC(=O)Nc1ccc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)cc1	930465	KWCHNSDTZFSZOK-UHFFFAOYSA-N	506.588	2.561	0	40	KFAB	
CCCCC/C=C/C/C=C/C=C/C=C/[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)[C@@H](O)CCCC(=O)O	4556717	GWNVDXQDILPJIG-BTRGRIABSA-N	625.785	2.777	0	40	KFAB	
Cc1ccc(NC(=O)CS[C@@H](C)C(=O)OCC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1	12695433	MUNMWDZHTLMZIH-RXVVDRJESA-N	504.630	2.819	0	40	KFAB	
O=C(NCCNC(=O)c1cc2ccccc2oc1=O)c1nc(Cn2c(C(F)(F)F)nc3ccccc32)no1	98043448	KPJOBKOSMSSIKZ-UHFFFAOYSA-N	526.431	2.753	0	40	KFAB	
Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@@]1(CC(O)=N2)C(=O)N(CC(=O)NCCc2ccccc2)c2ccccc21	101413272	BPHQEOFTBKJCEY-LJAQVGFWSA-N	547.579	2.830	0	40	KFAB	
CCOc1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)Nc4ccc(S(=O)(=O)N5CCOCC5)cc4)cc3C2=O)cc1	103137684	LLJUIDLVZICASJ-UHFFFAOYSA-N	593.614	2.702	0	40	KFAB	
CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223101263	ATCUHIKJLIEOMG-JOCHJYFZSA-N	517.648	2.866	0	40	KFAB	
C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@]12Cc1c(O)cc3c(c1O2)CN([C@@H](CCCNC(=N)N)C(=O)O)C3=O	252668889	FVWRHZWMISXFKU-CZDGSFFYSA-N	542.677	2.971	0	40	KFAB	biogenic,in-vitro
CS(=O)(=O)N(CC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCCCO)c1ccccc1)Cc1ccccc1	260714715	FALJMVZQBKJBRO-MHZLTWQESA-N	541.645	2.856	0	40	KFAB	
CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1cccc(Br)c1	408625612	VRSUGBNIUPLFNM-KRWDZBQOSA-N	510.410	2.763	0	40	KFAB	
CSc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C(=O)N1CCOCC1	408714728	LSARCLMWHPUYFP-UHFFFAOYSA-N	539.701	2.856	0	40	KFAB	
CC(=O)N1CCCN(C)CCN(C(=O)CCc2cc(C)nc([C@@H]3CCCN(S(C)(=O)=O)C3)n2)Cc2ccccc21	643554754	ZEWXNRIBVDPYFN-RUZDIDTESA-N	570.760	2.574	0	40	KFAB	
COc1cccc(CCCNC(=O)[C@@H]2CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C)COc3ccccc3C(=O)N2)c1	643571292	DDEKCDMKFDPOGP-ARFQCTDUSA-N	665.832	2.844	0	40	KFAB	
Nc1nc2c(ncn2[C@@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)c(=O)[nH]1	4917384	WZRBAVDJTYIQBI-WCJVPVSSSA-N	595.568	2.907	0	40	KFAB	
COc1cc([C@@H](C(=O)NC(C)(C)C)N(Cc2ccc(F)cc2)C(=O)c2snc(C(N)=O)c2N)ccc1O	6074823	XSXRERQKXVSRKP-FQEVSTJZSA-N	529.594	2.976	0	40	KFAB	
CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(N)=O	6075206	UECOVOLGPHUWDG-GOTSBHOMSA-N	555.628	2.897	0	40	KFAB	
CCCCN(C(=S)NC(=O)c1cc(OC)c(OC)c(OC)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	8693872	CWEQBRQVGDGJOC-UHFFFAOYSA-N	541.630	2.514	0	40	KFAB	
Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(Cc4ccco4)CC3)cc2c1	20083247	OVSAYTLMKXPHOM-RCZVLFRGSA-N	503.607	2.811	0	40	KFAB	
COc1cccc(N2CCN([C@H](c3cc4cc5c(cc4[nH]c3=O)OCO5)c3nnnn3C(C)(C)C)CC2)c1	20084248	RRUGIOMRNRYKMO-XMMPIXPASA-N	517.590	2.919	0	40	KFAB	
O=C(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1	22527053	KALFQENPDSAEIQ-UHFFFAOYSA-N	506.631	2.983	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cnc5ccccc5c4=O)cc3)CC2)cc1OC	102913709	VKPPEFQHZPVUOV-UHFFFAOYSA-N	534.594	2.550	0	40	KFAB	
Cc1n[nH]c(SCCNC(=O)COc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2C)n1	222786647	KYVHIOWRYSZKQX-UHFFFAOYSA-N	501.634	2.850	0	40	KFAB	
CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	222819503	NHSPYKGUNLCHPO-JOCHJYFZSA-N	535.663	2.810	0	40	KFAB	
COc1cccc(CN(C(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)[C@H](C)C(=O)NC(C)C)c1	260777143	YRLJLNZDICKJSR-HXUWFJFHSA-N	547.674	2.955	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1cccc(OC)c1)[C@H](C)C(=O)NCC(C)C)c1ccc2c(c1)OCO2	260858391	ACEWXYZJCMIJKV-LJQANCHMSA-N	533.647	2.770	0	40	KFAB	
COc1ccc(S(=O)(=O)N2C[C@H](C(=O)N[C@@H](C)c3ccc(S(C)(=O)=O)cc3)Oc3ccccc32)cc1	260917286	CXIZOLZQMBPUOQ-BXKMTCNYSA-N	530.624	2.932	0	40	KFAB	
Cc1cc(C)c(NC(=O)COc2ccc(N3C[C@@H](C(=O)NCCCN4CCOCC4)CC3=O)cc2)c(C)c1	408578674	LLADXONINRDWIE-QHCPKHFHSA-N	522.646	2.821	0	40	KFAB	
COc1cccc(OC)c1C(=O)NN1C[C@H](C(=O)OCC(=O)Nc2ccc(Br)c(C)c2C)CC1=O	408649975	AAIOOQJSRCZORA-OAHLLOKOSA-N	548.390	2.758	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(=O)O)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	408843343	SWMMULKCTZDCRP-VZIOXZNFSA-N	522.579	2.904	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccc(C)cc43)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	409115440	MLAHEJQHULIFSP-UGUGFTGJSA-N	533.606	2.836	0	40	KFAB	
O=C(COc1ccc(/C=C2\NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1Br)N1CCOCC1	409388933	YFBKWQWMLNFIOL-UNOMPAQXSA-N	518.339	2.919	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OC)c(OCCCn3ccnc3)c2)C[C@](O)(COc2ccc(F)cc2)C1	585272195	LWCYTFHJFPMHMT-GDLZYMKVSA-N	556.635	2.601	0	40	KFAB	
COc1cc([C@H](CC(=O)N[C@@H](CCSC)C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c2oc(C)cc(=O)c2O)ccc1O	604406116	WWOXLQAIMRSVBZ-SWUCNREESA-N	623.728	2.936	0	40	KFAB	biogenic
CN1C(=O)[C@H](CCC(N)=O)NC(=O)CC[C@@H](C(=O)NCCCc2ccccc2)NC(=O)c2ccccc2OC[C@H]1Cc1ccccc1	643569365	DZTZMVKJEUPNJK-GGCFSWKVSA-N	641.769	2.527	0	40	KFAB	
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	2060999608	QOMBXPYXWGTFNR-OHDDCDBCSA-N	767.010	2.953	0	40	KFAB	
COc1ccc(CCNC(=O)c2c(N)n(-c3cccc(S(N)(=O)=O)c3)c3nc4ccccc4nc23)cc1	2276807	LEJKHUSASZOPKO-UHFFFAOYSA-N	516.583	2.784	0	40	KFAB	
COc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NCCc3ccc(OC)c(OC)c3)c2=O)c(OC)c1	9937297	MDWNZTBRQBLFNP-UHFFFAOYSA-N	519.554	2.546	0	40	KFAB	
COc1ccc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4ccccc4F)CC3)c(=O)[nH]c2c1	19940437	ZHCNZJYLWMFXSE-NLFFAJNJSA-N	519.581	2.753	0	40	KFAB	
CCCNC(=O)[C@H](CC(C)C)NC(=O)C1CCN(C(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)CC)CC1	70687615	RDDCJYNXXOZXFG-TUSQITKMSA-N	550.766	2.984	0	40	KFAB	biogenic
COC(=O)c1sccc1NC(=O)C[C@H](CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)C(=O)O	71279574	ODMQLHYRPADKLS-CYBMUJFWSA-N	500.499	2.800	0	40	KFAB	
COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCSc3nc(C)n[nH]3)cc2)cc1Cl	222732499	IXHNGPLCJYPQJA-UHFFFAOYSA-N	512.013	2.863	0	40	KFAB	
CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC[C@@H]2CCCO2)cc1	222871486	DZNKGZPPXDIWIS-CVDCTZTESA-N	519.639	2.769	0	40	KFAB	
COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H](C)C(=O)NCCc2ccc(OC)c(OC)c2)cc1	222933837	BZEQSCNAFFIFGD-XMMPIXPASA-N	655.770	2.888	0	40	KFAB	
CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	224254475	RBXUKRLVSDFINI-OAQYLSRUSA-N	503.621	2.823	0	40	KFAB	
COc1ccc(S(=O)(=O)NC(C)C)cc1NS(=O)(=O)c1nnc(NC(=O)c2cccc(C)c2)s1	225424228	MIAAQJSRQFEBOU-UHFFFAOYSA-N	525.634	2.595	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(Cl)cc4)C3)CC2)cc1	225547415	CBJPCONIRZKROU-LJQANCHMSA-N	526.080	2.582	0	40	KFAB	
CCCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)c2C(=O)NC)C1	227716255	QBCHOPWYCMQXIA-IRXDYDNUSA-N	534.704	2.926	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C)cc1	260929487	WHKPBEXWNJHBCN-LJQANCHMSA-N	505.637	2.659	0	40	KFAB	
CCOC(=O)COc1c(Br)cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1OCC	409136316	TWIDPJYLHCWOPT-GZTJUZNOSA-N	557.419	2.685	0	40	KFAB	
CC(C)[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)N2C[C@H](C)O[C@H](C)C2)CCC(=O)NC2(CCCCC2)C(=O)N1	643572109	NYQCMLIPZFRVBU-DVKRWUGUSA-N	556.704	2.553	0	40	KFAB	
Cc1cccc(-n2nc3c(c2NC(=O)c2ccc(S(=O)(=O)N4CCOCC4)cc2)C[S@@](=O)C3)c1C	6208154	WDWNBEHJCQNBBC-UMSFTDKQSA-N	514.629	2.525	0	40	KFAB	
O[C@H](COc1ccc(OC[C@@H](O)CN2CCN(c3ccccc3)CC2)cc1)CN1CCN(c2ccccc2)CC1	6446554	YFOLNQOMGGEODG-KYJUHHDHSA-N	546.712	2.810	0	40	KFAB	
Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccc(F)cc1	12473159	VAFBBKYGYMPVNF-DYESRHJHSA-N	511.579	2.955	0	40	KFAB	
Cc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@@H](C(=O)NC(C)(C)C)c3cccs3)n2)o1	19825972	WCRNOLWVTMVMKR-JOCHJYFZSA-N	529.667	2.510	0	40	KFAB	
Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc12	22871628	SPPGAKMUSNPNGK-RBISFHTESA-N	557.655	2.946	0	40	KFAB	
CO[C@H](/C=C/CC/C=C/C(=O)O)[C@@H](O)[C@H](C)[C@@H](O)/C(C)=C/[C@H](C)C(=O)CCCC1CC(=O)NC(=O)C1	35457105	YQDJUXPUIRGKNV-ZIANNSHGSA-N	507.624	2.711	0	40	KFAB	biogenic,in-vitro
CC(C)Cn1c(=O)c2ccc(C(=O)NC3CCCC3)cc2n2c(=O)n(CC(=O)NC3CCCCC3)nc12	64581220	AYRJITDMKOFPDF-UHFFFAOYSA-N	508.623	2.588	0	40	KFAB	
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)[C@@H](C)CC)C(=O)O	70700034	ZADGHZJEVVLUPY-HYUJZPPJSA-N	536.629	2.620	0	40	KFAB	biogenic
CCOCCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)sc2cc(S(N)(=O)=O)ccc21	100873645	DVSFWFPIKOYXBE-ZRZCPFIBSA-N	566.727	2.548	0	40	KFAB	
O=C(CNc1ccccc1N1CCCCC1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1	102982340	QFYPDEWZRMQGJU-UHFFFAOYSA-N	543.690	2.585	0	40	KFAB	
CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NCCCOC)cc1	222869916	CGYOWUVTNAQPAC-LJQANCHMSA-N	507.628	2.627	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)cc1	224216568	LMLCEULPEDYHFR-UHFFFAOYSA-N	531.656	2.879	0	40	KFAB	
CS(=O)(=O)N[C@H](CC(=O)N1C[C@H](C(=O)NCCc2ccccc2)Oc2ccccc21)c1ccc(F)cc1	225943704	KTVISBOWRQISSX-RCZVLFRGSA-N	525.602	2.959	0	40	KFAB	
CC(C)(C)OC(=O)NCc1ccc(C(=O)N(Cc2ccccc2)C[C@@H]2C[C@@H](n3ccc(O)nc3=O)[C@@H](O)[C@@H]2O)cc1	257285333	PGQWIAMOIFNIOZ-BKJQLSFMSA-N	564.639	2.599	0	40	KFAB	
CCN(CC(=O)N1C[C@H](C(=O)NCc2ccccc2)Oc2ccccc21)S(=O)(=O)c1ccc(F)cc1	260751985	WRRNQQXIYRTOSP-XMMPIXPASA-N	511.575	2.947	0	40	KFAB	
COC(=O)CNC(=O)[C@H](Cc1cc(I)c(O)c(I)c1)NC(=O)OCc1ccccc1	408738566	SHZICSRRSQHJJU-INIZCTEOSA-N	638.196	2.728	0	40	KFAB	
CC(C)C[C@H]1C(=O)N(C)CC(=O)N[C@H](Cc2ccccc2)COc2ccccc2C(=O)N[C@H](C(=O)NCc2ccc(CN3CCOCC3)cc2)CC(=O)N1C	643574690	KCGOGXHBPUNTEN-YGIRKPQBSA-N	754.929	2.775	0	40	KFAB	
CCCN1C(=O)/C(=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OC)=C(C)N=3)c2ccccc21	2071018	YRBMUXKFQGIQSK-RKKARLDVSA-N	503.580	2.544	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Br)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	6227336	FAWHPJJGXZYBIM-HVRVZBDQSA-N	517.357	2.883	0	40	KFAB	
COc1cccc(C[C@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)c1	13565618	DYYSHCAHDREJJT-QFIPXVFZSA-N	527.565	2.731	0	40	KFAB	
CN(C)c1ccc(C(=O)N2CC[C@@H](CC(=O)O)[C@@H](CCN3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)C2)cc1	67870985	RQIXWJBSJYHNDE-TWDDROGUSA-N	506.647	2.977	0	40	KFAB	biogenic,in-vitro
COC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)sc2cc(F)ccc21	100876441	OGKDMDLUABOJTC-WTXFQSTBSA-N	521.592	2.554	0	40	KFAB	
Cc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)/N=c2/sccn2Cc2ccccc2Cl)cc1	103134588	WLRSGWIFPJRNAB-YYDJUVGSSA-N	508.021	2.899	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)cc1	223077802	VHQHXVJTOIDELT-KRWDZBQOSA-N	519.620	2.522	0	40	KFAB	
Cc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)S(=O)(=O)c2ccccc2)cc1C	224202357	DWMNAIARFPEHPD-UHFFFAOYSA-N	545.683	2.944	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)cc1	224224027	QOBQWXMXQOJBAN-UHFFFAOYSA-N	544.095	2.964	0	40	KFAB	
COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(OC)ccc2OC)C1	408591594	JQYJJHKTMVPOQV-HNNXBMFYSA-N	522.576	2.547	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccccc43)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1	409046465	RIPCXLBAHWWICA-FEYWKWKCSA-N	533.606	2.916	0	40	KFAB	
COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)ccc1OCC(=O)N1CCOCC1	409275320	ZZONPORTTJNUCN-NHDPSOOVSA-N	547.536	2.886	0	40	KFAB	
COC(=O)c1ccc(NC(=O)CCNC(=O)C[C@@H](c2ccc(O)c(OC)c2)c2oc(C)cc(=O)c2O)cc1	524730023	RLJLWVXKLAUAII-IBGZPJMESA-N	524.526	2.822	0	40	KFAB	biogenic
CCc1nccn1CCOc1ccc(CN2CCN(C(=O)COC)C[C@](O)(COc3ccc(C)cc3)C2)cc1OC	585272760	OMWZOXSENDOYOY-HKBQPEDESA-N	566.699	2.942	0	40	KFAB	
CN(CCCC[C@H]1C(=O)N(C)CCCCCOc2ccccc2C(=O)N1C)C(=O)CCCn1cncn1	643559314	FAQRUBAUFIGDHC-QHCPKHFHSA-N	512.655	2.849	0	40	KFAB	
CCOc1ccc(CCCNC(=O)[C@@H]2CC(=O)N[C@@H](Cc3ccccc3)C(=O)NCCOc3ccccc3C(=O)N2)cc1OC	643565339	CTNYZJZJHJJVHA-SVBPBHIXSA-N	616.715	2.568	0	40	KFAB	
CC(C)NC(=O)N1CCC2(CCOc3cc(-c4ccc(F)cc4F)ccc3S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)N2)CC1	1548889053	FLCAXVZHXDGSAY-OFNKIYASSA-N	592.665	2.607	0	40	KFAB	
CCOC(=O)C1=C(N)n2c(s/c(=C\c3ccc(OCC)cc3)c2=O)=C(C(=O)OCC)[C@@H]1c1ccc(OCC)cc1	1876605	DCNXZKCPYZNVOG-IYTCMIDZSA-N	564.660	2.738	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(c3ccccc3OC)[C@H](C)C(=O)NCCC(C)C)n2)cc1OC	6134072	FDCZACYKYGXLBI-GOSISDBHSA-N	510.595	2.950	0	40	KFAB	
CC(C)C[C@@H](NC(=O)[C@H](NC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(N)=O	6135114	USXRRKPOSGWVFO-DNVJHFABSA-N	577.723	2.743	0	40	KFAB	
Cc1ccccc1OC[C@H](O)Cn1c(N2CCC(Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C	9089258	NWTOMNJNTOXKHM-JOCHJYFZSA-N	503.603	2.631	0	40	KFAB	
CC[C@@H](C(=O)Nc1cc(S(=O)(=O)NC(C)C)ccc1OC)N(c1ccc(F)cc1)S(C)(=O)=O	30852803	YOYITESTXVWKBP-IBGZPJMESA-N	501.602	2.704	0	40	KFAB	
COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2)cc1OC	38145011	JZBABAPOZUQWCY-VGOFRKELSA-N	539.614	2.525	0	40	KFAB	
COC(=O)C(=O)[C@H](C(=O)C(=O)Nc1ccccc1C(C)=O)c1nc2ccc(C(=O)c3ccccc3)cc2nc1O	102780767	PAGWXNAUMPSWID-QFIPXVFZSA-N	539.500	2.803	0	40	KFAB	
CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@H]2[C@@H](OC)[C@@H]([C@@H]13)[C@@]1(OC(C)=O)C[C@H](OC)[C@@]2(O)C[C@@H]4[C@@H]1[C@H]2OC(=O)c1ccc(OC)cc1	104062003	GAZDXIGXYWVWQX-ZXJMHSGRSA-N	643.774	2.715	0	40	KFAB	in-vivo
COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)N3CCN(C(=O)c4ccco4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2	108448310	SCAKPYCKIDLLCS-QHCPKHFHSA-N	604.660	2.853	0	40	KFAB	biogenic
C[C@H](C(=O)NCCCO)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1	222797381	NVPBCISNTMAMGV-HXUWFJFHSA-N	536.094	2.973	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)[C@@H](C)C(=O)NC2CCCC2)c1	224038248	ZVQDJBTXQWFPCE-IBGZPJMESA-N	534.654	2.923	0	40	KFAB	
Cn1c(=O)n(C)c2cc(NC(=O)CN3CCC4(CC3)CN(S(=O)(=O)Cc3ccccc3)C(C)(C)C4)ccc21	257271163	MXCQHPJCZXPBAZ-UHFFFAOYSA-N	539.702	2.912	0	40	KFAB	
CCNC(=O)c1ccc(OC)c(S(=O)(=O)N2C[C@H](C(=O)NCc3ccccc3)Oc3ccccc32)c1	260743331	OTQXHALTEWVPAT-HSZRJFAPSA-N	509.584	2.718	0	40	KFAB	
CCOc1c(OC)cccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccccc3)c(=O)n21	409012086	HMEIFQLRUWSOBQ-HWYOBBEWSA-N	508.596	2.832	0	40	KFAB	
CCOC(=O)c1cc(NC(=O)COC(=O)C[C@@H](NC(N)=O)c2ccc(Cl)cc2)cc(C(=O)OCC)c1	12528824	YGMFYJSUNCJTOA-LJQANCHMSA-N	519.938	2.975	0	40	KFAB	
C[C@H](C(=O)NC(C)(C)C)N(C(=O)C[S@@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1F	19941168	JSTODYCWGVBITQ-QXPWRNTLSA-N	505.568	2.578	0	40	KFAB	
COCCn1nnnc1[C@H](c1cc2c(C)ccc(C)c2[nH]c1=O)N1CCN(Cc2cccc(OC)c2)CC1	20083402	MSEVZUDTJNKHNT-SANMLTNESA-N	517.634	2.694	0	40	KFAB	
COC(=O)c1ccc2c(=O)n(-c3ccc(C(=O)N4CCN(c5ccccn5)CC4)cc3)c(S)nc2c1	32959286	WDQAHSUYMLOHSU-UHFFFAOYSA-N	501.568	2.818	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCN(S(=O)(=O)Cc4c(F)cccc4Cl)CC3)CC2)cc1	60017948	WNCKJOGCHVSWGN-UHFFFAOYSA-N	558.097	2.862	0	40	KFAB	
Cc1cc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccccc2)ccc1-n1cnnn1	100334929	RITSVPRLOJZBMM-FIPFOOKPSA-N	551.611	2.785	0	40	KFAB	
C[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	224104652	GOTDHQNMSNHMAX-FQEVSTJZSA-N	518.655	2.957	0	40	KFAB	
CS(=O)(=O)N(CCCC(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc(Cl)c1	224328372	ZUAFKODGDANBQV-UHFFFAOYSA-N	544.095	2.866	0	40	KFAB	
CCc1cc(Br)ccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2C)C1	408663476	YJZSWMUMBXXGIG-MRXNPFEDSA-N	502.365	2.995	0	40	KFAB	
COc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1S(=O)(=O)NCCc1ccccc1	408713764	UIFMKOJHJOVFRV-UHFFFAOYSA-N	537.638	2.903	0	40	KFAB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OCC(=O)OC(C)C)c(OC)c3)C2=O)o1	409399690	KTIRWGATBPIARD-PXNMLYILSA-N	502.476	2.507	0	40	KFAB	
O=S1(=O)C[C@@H]2[C@H](C1)N(Cc1ccccc1Cl)[C@H]1CS(=O)(=O)C[C@H]1N2Cc1ccccc1Cl	575422807	WNPBCUJBFLHKAV-URSFVKLHSA-N	515.484	2.642	0	40	KFAB	
O=S1(=O)C[C@@H](N(c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)S(=O)(=O)c2cccc3cccnc23)[C@@H](O)C1	575424879	BXZAXTVAMHUUEF-RPWUZVMVSA-N	624.722	2.937	0	40	KFAB	
CC(C)Cc1cc(C(=O)N2CCO[C@@](COc3cccc(Cl)c3)(CC(=O)N3CCOCC3)C2)n(C)n1	585285826	MRXIDFNORHCXPW-SANMLTNESA-N	519.042	2.811	0	40	KFAB	
CC(C)C[C@H]1NC(=O)CC[C@@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)NC(=O)c2ccccc2OCCCNC1=O	643567382	FAUOUNCAAOGLDD-RRPNLBNLSA-N	610.727	2.999	0	40	KFAB	
O=C1C[C@@H](C(=O)NCCc2ccc(F)cc2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCC2)N1	643576093	IBGLPRVLCBONNT-KYJUHHDHSA-N	671.770	2.728	0	40	KFAB	
CCOC(=O)CNC(=O)[C@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)c(Cl)c1	6547064	JFVKFLHBXAOQOF-FQEVSTJZSA-N	546.005	2.559	0	40	KFAB	
C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)C[C@@H](C)O1	12561364	OLXUFKPDOUDTIR-QZTJIDSGSA-N	507.634	2.521	0	40	KFAB	
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F	17546212	IHEWBXOGQLEYQR-NRFANRHFSA-N	579.647	2.795	0	40	KFAB	
CSc1cccc(N2C[C@H](C(=O)N(CC(C)C)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)CC2=O)c1	24764790	KKZYRCRIKFFLTM-LJQANCHMSA-N	521.643	2.931	0	40	KFAB	
CCOC(=O)CCCCC(=O)c1c(C)n(C(=O)c2ccc(N3C(=O)CCC3=O)cc2)c(=O)n1C(=O)c1ccc(N2C(=O)CCC2=O)cc1	29749239	FWNWPQSNPJFKER-UHFFFAOYSA-N	656.648	2.948	0	40	KFAB	
O=C(Cn1c(=O)oc2ccccc21)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1	40457612	XBARFNZELLUOCM-UHFFFAOYSA-N	503.886	2.800	0	40	KFAB	
COc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(N4CCCC4)cc3)c(=O)[nH]2)cc1	45922064	QJVYZAGCBWYABV-UHFFFAOYSA-N	500.602	2.942	0	40	KFAB	
COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(OC)ccc3OC)cc2)S(C)(=O)=O)cc1	59858329	BWANCHKKGCCUPW-UHFFFAOYSA-N	549.627	2.918	0	40	KFAB	
COc1ccc2cc([C@]3(C)NC(=O)N(CC(=O)N4CCN(S(=O)(=O)c5cc(C)ccc5C)CC4)C3=O)ccc2c1	96019898	ZHEAPSGLEAGWBV-LJAQVGFWSA-N	564.664	2.765	0	40	KFAB	
CC(C)NS(=O)(=O)c1ccc(Br)c(C(=O)OCC(=O)Nc2nnc(-c3ccccc3)o2)c1	103121253	ZHIBXIHGVVSRLG-UHFFFAOYSA-N	523.365	2.981	0	40	KFAB	
CO[C@H]1[C@@H](O)[C@@H](C)O[C@@H](O[C@@H]2CC[C@@]3(C)[C@H](C[C@@H]4O[C@]45[C@@H]3CC[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@]35O)C2)[C@@H]1OC(C)=O	123345824	BTRWTSHCXGFFFL-FFLFAYANSA-N	590.710	2.812	0	40	KFAB	
COc1ccc(N([C@H](C)C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2OC)S(C)(=O)=O)cc1Cl	139733978	ODJKPMLFNFOESY-OAHLLOKOSA-N	546.067	2.935	0	40	KFAB	
CS(=O)(=O)N(CC(=O)NCc1ccc(-n2ccnc2)cc1)c1ccc(I)cc1	216234360	DHWVIISKEIPCOK-UHFFFAOYSA-N	510.357	2.559	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	222904810	VHELVJZVAVRBIA-MRXNPFEDSA-N	512.028	2.677	0	40	KFAB	
CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O	223391325	GXDIASZJUWDFAY-IBGZPJMESA-N	526.453	2.777	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)c2cc(C)cc(C)c2)cc1OC	224211741	NJGXAZQSZDAVQO-UHFFFAOYSA-N	605.735	2.961	0	40	KFAB	
Cc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccccc2)c(C)c1	224435134	FPZRZIXMTJUIDC-UHFFFAOYSA-N	587.720	2.715	0	40	KFAB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(I)c(O)cc4O)c(=O)n32)cc1OCC	408932001	APSUKTDVHAXSBA-YLQLIIAJSA-N	622.437	2.831	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409031839	AYMOYRBLXYNIDQ-ZDZYTSRMSA-N	596.658	2.853	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409037135	SNHAQIYOTFPCTR-GVZDMDPYSA-N	654.694	2.691	0	40	KFAB	
CCCC1=C(C(=O)OCC)[C@@H](c2ccc3c(c2)OCO3)n2c(s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OCC)c3)c2=O)=N1	409174524	NAZCGQJCTKNUQG-CCORILLZSA-N	663.749	2.944	0	40	KFAB	
CC(C)C[C@H]1C(=O)N(C)CC(=O)N[C@H](Cc2ccccc2)COc2ccccc2C(=O)N[C@H](C(=O)NCCc2ccccc2)CC(=O)N1C	643574652	GXNBARUCQWEYFU-GHPAMLPFSA-N	669.823	2.985	0	40	KFAB	
COc1ccc(Cn2nnnc2CN(CCN2CCOCC2)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1	926644	WAPWWJYQBRKDFG-UHFFFAOYSA-N	517.634	2.523	0	40	KFAB	
NC(=O)CC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@H]12	9347840	RCYUEQQSQCSCIV-TVZIFOOBSA-N	506.868	2.549	0	40	KFAB	
C[C@H]1Cc2cc(S(=O)(=O)N3CCOCC3)ccc2N1S(=O)(=O)c1ccc(Br)cc1	10119325	UURPHDOSFJWGGT-AWEZNQCLSA-N	501.424	2.610	0	40	KFAB	
C[C@@H](OC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1	13012981	VZZNCEBWXGUSFO-CYBMUJFWSA-N	500.499	2.535	0	40	KFAB	
O=C(NCCCN1CCOCC1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl	35096674	YMIKRLFOXVSXIP-HXUWFJFHSA-N	500.448	2.722	0	40	KFAB	
COCCN(C(=O)CSc1nn(-c2ccc(F)cc2)c(=S)s1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	38139701	NPHGNPWLHJZSOU-UHFFFAOYSA-N	540.668	2.662	0	40	KFAB	
CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(=O)[C@H](NC(=O)c1cc(C)on1)C(C)C)Cc1ccc(F)cc1	97943124	CAYJBRBGZBCZKO-XSJYPBBHSA-N	598.672	2.825	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	223546078	INRYDVFUQBSRRY-HXUWFJFHSA-N	517.648	2.948	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)CN(c2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)cc1	224216717	XGOOHTOMKBQUJM-UHFFFAOYSA-N	558.893	2.858	0	40	KFAB	
Cc1cccc(N([C@@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)c1	224407814	CFZRISCDHDLWOA-FQEVSTJZSA-N	523.677	2.519	0	40	KFAB	
CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C	225061887	WYHAYXIAGHELEJ-QFIPXVFZSA-N	502.681	2.902	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225512492	LGBQCPLLKMWEIT-XMMPIXPASA-N	537.638	2.610	0	40	KFAB	
Cc1cccc(OCCNC(=O)[C@@H]2CCC(=O)N[C@@H](CC(C)C)C(=O)N(C)CCOc3ccccc3C(=O)N2)c1C	643580140	LHMHETNTHQUODR-DQEYMECFSA-N	566.699	2.759	0	40	KFAB	
COc1cc(C(=O)Nc2ccc(C(C)=O)cc2)ccc1O[C@@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	8431870	ZLAQSJKIEJDEJR-LLXYUCGHSA-N	615.588	2.612	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)OCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1C	12521841	KXTWDGUAPWJYOU-ISKFKSNPSA-N	515.632	2.600	0	40	KFAB	
COCCn1nnnc1[C@H](c1cc2c(C)ccc(C)c2[nH]c1=O)N1CCN(c2cccc(OC)c2)CC1	20083284	UFNCQUHSROWMSN-VWLOTQADSA-N	503.607	2.698	0	40	KFAB	
CCC(C)(C)NC(=O)[C@H](c1ccc(OC)cc1)N(CCN1CCOCC1)C(=O)Cn1nnc2ccccc21	20109314	AIXVLXXLFYCKJC-SANMLTNESA-N	522.650	2.647	0	40	KFAB	
CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)OC)c(OC)c3)N(CC(=O)OC)C2=S)cc1	32122957	IMTHNLABVDYTEZ-UNOMPAQXSA-N	514.556	2.793	0	40	KFAB	
CCN1C(=O)/C(=c2\s/c(=C3\Sc4ccc(OC)cc4N3C)c(=O)n2C)N(c2ccccc2)C1=S	33343150	ZYJAIFVBLOYCGR-YLRGQORSSA-N	510.666	2.525	0	40	KFAB	
COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1Cl	59838348	OBRMHWJTPHQWSS-RUZDIDTESA-N	608.138	2.576	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1	59838475	NSACCHVOCWZIQM-UHFFFAOYSA-N	534.487	2.961	0	40	KFAB	
COc1cc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccccc2F)ccc1-n1cnnn1	100337609	KXJZVYOELANYMP-MMTVBGGISA-N	585.600	2.624	0	40	KFAB	
Cc1c(NS(=O)(=O)c2ccc(Cl)c(C(=O)O[C@H](C)C(=O)NC[C@H]3CCCO3)c2)c(=O)n(-c2ccccc2)n1C	102923680	SRRZAJAPKAEPFU-IEBWSBKVSA-N	577.059	2.779	0	40	KFAB	
COc1ccc2ccccc2c1CC1(CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)C(=O)N(C)C(=S)N(C)C1=O	106900255	MJSDHWVSIRVBBF-PZJWPPBQSA-N	544.677	2.874	0	40	KFAB	biogenic
Cc1cc(C)c(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)c(C)c1	224394885	PTJHAZSDVANAJW-UHFFFAOYSA-N	537.704	2.748	0	40	KFAB	
O=C(CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)NCc1cccc(CN2CCOCC2)c1	224724296	XEDKEAKITZOCFR-UHFFFAOYSA-N	537.638	2.802	0	40	KFAB	
Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1	408593696	NUKOBEJNMDNQDR-VWLOTQADSA-N	521.639	2.958	0	40	KFAB	
CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)NCC(C)(C)c2ccc(F)cc2)NC(=O)c2ccccc2OCCCNC1=O	643565845	PSIFTNOENIUTEC-ZEQRLZLVSA-N	554.663	2.838	0	40	KFAB	
COc1cccc(C(=O)N2CCCCC3(CCN(Cc4ccccc4)CC3)C(=O)OC[C@@H](O)[C@@H](O)CC2)n1	643578606	ZQPCYFUWSHHFIC-LOSJGSFVSA-N	525.646	2.654	0	40	KFAB	
C[C@H](OC(=O)[C@H](C)Oc1ccc(-c2coc3cc(O[C@H](C)C(=O)O[C@H](C)C(=O)O)c(O[C@H](C)C(=O)O[C@@H](C)C(=O)O)cc3c2=O)cc1)C(=O)O	725395249	XUAMFDSEHVKHRD-KCTOORRSSA-N	702.618	2.811	0	40	KFAB	
O=c1[nH]c2cc3c(cc2cc1CN(CCCO)S(=O)(=O)c1ccccc1Br)OCCO3	6446082	YJYYHRKOOPQRTN-UHFFFAOYSA-N	509.378	2.635	0	40	KFAB	
Cc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(F)cc2)cc1	12706214	OZNIMYVHNSXFJF-WIYYLYMNSA-N	511.579	2.955	0	40	KFAB	
O=C(CSCC(=O)OCC(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1)Nc1ccc(Cl)cc1	13121592	JEKSABFYHLLNNX-IBGZPJMESA-N	511.021	2.775	0	40	KFAB	
O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)OCC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1	13164629	NQEIPJFHSJFTTD-FQEVSTJZSA-N	526.611	2.718	0	40	KFAB	
O=C(c1ccc(-n2cnc3ccccc32)cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	14077428	YEZXGUGIPTXHSN-UHFFFAOYSA-N	504.568	2.943	0	40	KFAB	
COc1ccc(N2C(=O)C[C@@H](NNc3nc4cc(OC)c(OC)cc4c(=O)n3-c3ccccc3)C2=O)cc1	18088184	NJZLGDASBWNMOR-OAQYLSRUSA-N	515.526	2.660	0	40	KFAB	
O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccccc2F)CC1)Nc1cc(Cl)cc(Cl)c1	19961946	FDOGHJFFMGSVHK-OAQYLSRUSA-N	522.408	2.610	0	40	KFAB	
COCCn1nnnc1[C@H](c1cc2cc(C)cc(C)c2[nH]c1=O)N1CCN(c2ccccc2OC)CC1	20083104	LICFJABADHQHGG-VWLOTQADSA-N	503.607	2.698	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1Cl	59838140	YAZDIYJHVIMSGM-UHFFFAOYSA-N	544.095	2.850	0	40	KFAB	
O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1	59838556	TXPGZXSKBZCJMW-LJQANCHMSA-N	570.531	2.951	0	40	KFAB	
CC(C)NC(=O)c1ccccc1NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	100294479	DTBRRTAXHQLEKN-RUZDIDTESA-N	570.693	2.527	0	40	KFAB	
O=C(NCCSCc1ccccc1)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	105584928	MESCNISKJHUBMS-RUZDIDTESA-N	559.735	2.800	0	40	KFAB	
CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	224542771	NDJZQTZUOMZMFY-OAQYLSRUSA-N	519.620	2.524	0	40	KFAB	
Cc1ccc(C)c(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)N(C)C)c1	225587640	MOGMAEVYZFNZSN-FQEVSTJZSA-N	506.644	2.997	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	261049511	ZVXQFHFSKVEJHQ-OALUTQOASA-N	533.647	2.564	0	40	KFAB	
COC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(I)c2)C1=O	408549745	YBWWJUORZHOJJI-CXUHLZMHSA-N	536.278	2.634	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccc(Cl)cc43)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	409121592	WWCPEEIZRAUMLB-SADKCHQCSA-N	539.997	2.791	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCCC4)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1	409170238	TXGCZUZAOHQFRL-QEYQTOMISA-N	561.660	2.808	0	40	KFAB	
CCOc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)C2CCCC2)cc1	6601674	XYTSBBZRVWEFLL-GHTZIAJQSA-N	515.636	2.644	0	40	KFAB	
COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2C)cc1	12711382	BTASHQHQWXQYTD-GCJKJVERSA-N	523.615	2.825	0	40	KFAB	
COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4ccc(F)cc4)CC3)cc2c1	19940663	RCKRIXSZSBPKIU-DHLKQENFSA-N	519.581	2.753	0	40	KFAB	
CCN1CCN(CC(=O)N2N=C(c3ccc(Br)cc3)C[C@H]2c2ccc(OC)c(OC)c2)C(=O)C1=O	97987860	SAQIKGBQEPCOKZ-FQEVSTJZSA-N	543.418	2.835	0	40	KFAB	
Cc1cc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)ccc1-n1cnnn1	100336832	HTQSRVUQQNMCTP-QDPGVEIFSA-N	569.601	2.924	0	40	KFAB	
CN(C)c1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4C[C@H]([C@H]5C(=O)N(CCCC(=O)O)C(=O)[C@H]45)[C@@H]32)cc1	101174999	FWPPYSXVNCBZKQ-CBAVKNIESA-N	513.641	2.841	0	40	KFAB	
O=C(c1ccc(-n2cnc3ccccc3c2=O)cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1	102914837	MGHLUYOCOGAGNM-UHFFFAOYSA-N	546.605	2.694	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	224315299	FVSXHSMHXKVSCD-UHFFFAOYSA-N	556.106	2.720	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	224833994	RUYNLUWSTJKMGO-QGZVFWFLSA-N	524.039	2.821	0	40	KFAB	
C[C@@H]1CN(C2CCN(S(=O)(=O)c3cn(C)cn3)CC2)CCN1c1ncc(C(F)(F)F)cc1Cl	618256948	OQGCYBYKUMZJRG-CQSZACIVSA-N	506.982	2.851	0	40	KFAB	
CC(=O)N1CCCN(C)CCN(C(=O)CCc2cc([C@H]3CCCN3S(C)(=O)=O)nc(C)n2)Cc2ccccc21	643554109	LFAKCPGMPPEFID-HHHXNRCGSA-N	556.733	2.531	0	40	KFAB	
COc1cc(CCC(=O)N2CC[C@@H]3NC(=O)[C@@H](Cc4ccccc4)NC(=O)C4(CC=CC[C@@H]3C2)CCOCC4)on1	1615109257	YREXRLVAGZIMIW-DMTNHVFBSA-N	564.683	2.823	0	40	KFAB	
CCOC(=O)Cn1nnnc1CN(CCc1ccc(OC)c(OC)c1)Cc1cc2cccc(C)c2[nH]c1=O	926453	DQCBGTLJQWBAEA-UHFFFAOYSA-N	520.590	2.648	0	40	KFAB	
COc1ccc(CNC(=O)C[C@@H]2N=C3c4ccccc4N=C(SCC(=O)Nc4cc(C)n[nH]4)N3C2=O)cc1	2968416	SHVJPPFNUQWAPA-FQEVSTJZSA-N	531.598	2.764	0	40	KFAB	
COc1ccc(C(=O)OCC(=O)NCc2ccco2)cc1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1	8687260	GHKMHGJZECYXOK-UHFFFAOYSA-N	548.017	2.926	0	40	KFAB	
CCn1cc(C(=O)NCCc2ccc(OC)c(OC)c2)c(=O)c2cc(F)c(N3CCN(C(C)=O)CC3)cc21	12323304	FGDHEBYIHMHJPD-UHFFFAOYSA-N	524.593	2.819	0	40	KFAB	
CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)NC2(C(=O)O)CCCCC2)CC1	12866206	YNDKQUXJGMQFSF-KNQAVFIVSA-N	521.680	2.830	0	40	KFAB	biogenic
CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12)C(=O)N[C@H](C)C(=O)O	12884204	WBMOUMRUWNKLGQ-MRSCZXMFSA-N	502.571	2.758	0	40	KFAB	biogenic
CN(C)S(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4ccccc4c3)C2)cc1	20032035	OZMLKRNTQXDHAE-JOCHJYFZSA-N	515.657	2.807	0	40	KFAB	
COC(=O)c1cc(NC(=O)Cn2c(=O)c3c(ncn3CCC(C)C)n(Cc3ccccc3)c2=O)cc(C(=O)OC)c1	103064765	OCTAHTHKQYUWSY-UHFFFAOYSA-N	561.595	2.666	0	40	KFAB	
O=c1cccc2n1C[C@H]1C[C@@H]2CN(S(=O)(=O)c2ccc3c(c2)OCCOCCOc2ccc(S(=O)(=O)N4C[C@@H]5C[C@H](C4)c4cccc(=O)n4C5)cc2OCCOCCO3)C1	150350280	VEWPBOOJCZBIIR-GASGPIRDSA-N	864.996	2.888	0	40	KFAB	biogenic
O=c1c2ccccc2n(C[C@H](O)CN2CCN(C/C=C/c3ccccc3)CC2)c(=O)n1C[C@@H](O)CN1CCN(C/C=C/c2ccccc2)CC1	150519228	CJBSIEZOFZAYHQ-RQQSZAJOSA-N	678.878	2.547	0	40	KFAB	
CCOCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(C)S(C)(=O)=O	223402194	OVXQXDJNVXDCBK-HSZRJFAPSA-N	510.056	2.844	0	40	KFAB	
CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	224153402	HBOAIYHHKUBMJC-NRFANRHFSA-N	505.637	2.722	0	40	KFAB	
Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)Nc3ccccc3C(=O)NC[C@H]3CCCO3)s2)cc1	225060887	ASKQGMGAHYRKQW-MRXNPFEDSA-N	501.590	2.808	0	40	KFAB	
O=C(NC[C@@H]1COc2ccccc2O1)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1	225264950	VJSPXOMGGRYZIB-LJQANCHMSA-N	509.422	2.947	0	40	KFAB	
CCOc1ccc(N(CCCC(=O)N(Cc2cccc(OC)c2)[C@H](C)C(=O)NC)S(C)(=O)=O)cc1	260855917	GBPPRUHBBQVTRC-LJQANCHMSA-N	505.637	2.803	0	40	KFAB	
CCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3Cl)C2)cc1	408651722	DPFVANHUSAWYMR-CQSZACIVSA-N	522.341	2.845	0	40	KFAB	
COc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(OC)c(C(=O)N4CCOCC4)c3)cc2)c(OC)c1	408693483	WRWZLSPOLNGXNF-UHFFFAOYSA-N	591.664	2.786	0	40	KFAB	
CCOC(=O)COc1c(/C=c2\sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OCC)=C(C)N=3)cccc1OC	408766678	DGWJLUCCANMIFX-QUYTYNJFSA-N	542.635	2.810	0	40	KFAB	
COc1ccc(N(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	409064403	PIVSRPYAICFHHT-UHFFFAOYSA-N	583.663	2.981	0	40	KFAB	
COC(=O)COc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1Br	409089695	OVPMXDGBVPOJGO-LICLKQGHSA-N	502.321	2.841	0	40	KFAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OC	409107785	QLIVLZJJNLYZEE-WLGHQHAYSA-N	537.638	2.835	0	40	KFAB	
CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C4/C(=O)N(C)c5ccccc54)c(=O)n32)cc1	409118356	PFTLSFVSUXUYDG-AYWGPLOBSA-N	517.607	2.932	0	40	KFAB	
O=C1NC2(CCOc3cc(C4CCOCC4)ccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(Cc1ccc(F)c(F)c1)CC2	1548889833	KWOBJWZOWLLDCC-BVAGGSTKSA-N	605.704	2.916	0	40	KFAB	
CCOC(=O)CNC(=O)[C@@H](c1ccc(OCC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(C)c1C	6601635	LAMOFMNKIIDGEC-HSZRJFAPSA-N	553.641	2.907	0	40	KFAB	
COCCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)sc2cc(OC)ccc21	9723685	RRHBSIPADBFEEM-NGKHFMBDSA-N	519.645	2.897	0	40	KFAB	
O=C(c1ccc(N2CCCS2(=O)=O)cc1)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1	12696953	VFADXXVGXCIIBX-UHFFFAOYSA-N	518.444	2.680	0	40	KFAB	
CCn1cc(C(=O)OCC(=O)N2[C@H](C)CCC[C@H]2C)c(=O)c2cc(F)c(N3CCN(C(C)=O)CC3)cc21	13076114	IXIUZDZRNOIDLO-QZTJIDSGSA-N	514.598	2.775	0	40	KFAB	
O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	16428756	QEKXUIULDHNPSO-UHFFFAOYSA-N	515.632	2.750	0	40	KFAB	
CCOC(=O)CC[C@H](NC(=O)CCCCCCCCC(=O)N[C@H](CCC(=O)OCC)C(=O)OCC)C(=O)OCC	17307457	YBVVVXKPVPVQTE-SZPZYZBQSA-N	572.696	2.890	0	40	KFAB	
NS(=O)(=O)c1ccc(NC(=O)CCn2c3c(sc2=O)[C@@H]2c4ccccc4OC[C@@H]2CS3)cc1	36633797	UTVFJEAMEYLSFM-YJYMSZOUSA-N	503.627	2.832	0	40	KFAB	
COc1cc(C[C@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc(OC)c1	100472161	HLNFZQAZSOXBEH-MHZLTWQESA-N	539.654	2.874	0	40	KFAB	
CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O	223389915	MAFTZJROCQIFKG-IBGZPJMESA-N	512.028	2.677	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	223495832	ZUZOEXDFYLRQBO-SFHVURJKSA-N	519.620	2.524	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223678615	USUXFWWQQFAPTE-FQEVSTJZSA-N	517.648	2.866	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O	225478993	UDLWVIYGZBZKTQ-KRWDZBQOSA-N	510.454	2.995	0	40	KFAB	
O=C1NC[C@H]2O[C@H](CCOc3ccccc3C(=O)N3CCN(Cc4ccc(Cl)c(F)c4)C[C@@H]13)CC[C@H]2n1cc(CN2CCOCC2)nn1	253398320	GXZRHRYLPYUKEG-CJKLZUFXSA-N	682.197	2.917	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)C2)cc1C	260737048	JRKCOBGMPNOATO-IBGZPJMESA-N	523.677	2.992	0	40	KFAB	
COc1cc(OC)cc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3cc(C)c(Br)cc3C)CC2=O)c1	408655790	MFOIYMGAQHTYDF-INIZCTEOSA-N	548.390	2.758	0	40	KFAB	
CCOC(=O)COc1cc(Br)c(/C=C2/SC(=O)N(CC(=O)OCC)C2=O)cc1OC	408916521	DULZUKVWIIMAFO-VIZOYTHASA-N	502.339	2.999	0	40	KFAB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)c(OCC(=O)O)c(OC)c4)c(=O)n32)cc1OCC	408933427	JMYFTPAPXYXAFE-ZYDFGXJWSA-N	603.049	2.941	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/[C@H]3C(=O)N(c4ccccc4)N=C3C)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	409021702	UIBBZCJORFKGIE-SQPLHEJTSA-N	560.632	2.806	0	40	KFAB	
CCOC(=O)COc1ccccc1/C=c1/sc2n(c1=O)[C@H](c1ccc(OCC(=O)OC)c(OCC)c1)C(C(=O)OCC)=C(C)N=2	409038853	PSBXGSFHHUWYOP-FAAWKKKDSA-N	638.695	2.691	0	40	KFAB	
COC(=O)Nc1ccc(C(=O)O[C@@H](C)C(=O)OCCOC(=O)[C@H](C)OC(=O)c2ccc(NC(=O)OC)cc2)cc1	2060993677	KAACECWCEDWKES-HOTGVXAUSA-N	560.512	2.920	0	40	KFAB	
COc1ccc(N(C(=O)Cn2nnc(-c3ccc(OC)c(OC)c3)n2)[C@H](C)C(=O)NCCC(C)C)cc1	6134053	VCFWINZIHISUQQ-GOSISDBHSA-N	510.595	2.950	0	40	KFAB	
COC(=O)COc1c(Br)cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc1OC	9233926	JJNMPIBWJNMOOR-OQLLNIDSSA-N	513.366	2.668	0	40	KFAB	
COc1ccc(CN(C)C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(OC)c1	13135142	ULPNBDGJCHDDJB-UHFFFAOYSA-N	524.039	2.629	0	40	KFAB	
COC(=O)[C@]1(CCSC)N[C@@H](c2ccc(F)cc2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21	19592400	CITAGPGHBLMFIZ-AIFLQVKLSA-N	500.548	2.712	0	40	KFAB	
CCCn1c(N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)nc2cc3c(cc2c1=O)OCCO3	28555909	ZFKQXQIWWJHQPV-UHFFFAOYSA-N	524.574	2.566	0	40	KFAB	
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(=O)[C@H](C)[C@@H](O)[C@H]1C	87493164	IDRYSCOQVVUBIJ-PPGFLMPOSA-N	717.938	2.671	0	40	KFAB	biogenic,in-man
Cc1ccc(Nc2nc3nonc3n3c(CC(=O)N/N=C/c4cc5c(cc4[N+](=O)[O-])OCO5)nnc23)cc1Cl	104641794	CQEYORWVYDOVCD-KTZMUZOWSA-N	550.879	2.696	0	40	KFAB	
COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=S)NC(=O)c2ccccc2I)c1	105302597	JLWIHDFHMRBKHV-UHFFFAOYSA-N	538.411	2.956	0	40	KFAB	
CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)NC[C@H]1CC[C@H](C(=O)O)CC1	217498006	JOJBNSUIMIARTN-JQOLTRQRSA-N	548.640	2.622	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1	224303700	CANXRRLYCVEKCL-UHFFFAOYSA-N	542.079	2.718	0	40	KFAB	
CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	224759307	JPXKEWQYODDLSL-NRFANRHFSA-N	521.611	2.900	0	40	KFAB	
O=C(N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4ccc(F)cc4)C[C@H]3C(=O)NC[C@H]1O2)C1CCOCC1	253402681	ONEZYSOZHCERLX-RKDXIHMYSA-N	608.711	2.510	0	40	KFAB	
CCOc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	408548047	CJLVNSCMEOZKMG-RQZCQDPDSA-N	505.886	2.961	0	40	KFAB	
CCCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3)C2)cc1	408662663	XIQZDPGDJLGSIH-QGZVFWFLSA-N	501.923	2.582	0	40	KFAB	
COc1cc(CN2CCN(C(C)=O)C[C@](O)(COc3ccc(F)cc3)C2)ccc1OCCn1ccnc1	585274969	SJIPPXVARQQMSD-MHZLTWQESA-N	512.582	2.584	0	40	KFAB	
CC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)n2C)cc1	6073786	WZGDJIXJJIKMAR-UHFFFAOYSA-N	514.633	2.956	0	40	KFAB	
COc1ccc(Cl)cc1NC(=O)CS(=O)(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12	9519754	OFKGAQDGNUNYAE-UHFFFAOYSA-N	505.980	2.575	0	40	KFAB	
O=C(COC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(OC(F)(F)F)cc1	12586765	KOGNNZOVJHVCPM-UHFFFAOYSA-N	516.494	2.721	0	40	KFAB	
CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1	20033075	NTBULTWXDDKRQY-UHFFFAOYSA-N	507.678	2.751	0	40	KFAB	
CCCCN(C(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12)c1c(N)n(CCCC)c(=O)[nH]c1=O	24749511	SMIBTZIDEMFGAL-UHFFFAOYSA-N	530.651	2.847	0	40	KFAB	
COc1ccc(Br)cc1CN(C)C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1	32962397	KTJRBNHOGPCBJR-UHFFFAOYSA-N	503.440	2.741	0	40	KFAB	
CC(C)(C)CC(=O)Nc1nc2c(s1)C[C@H]1[C@@](C)(CC[C@@H](O)[C@@]1(C)CO)[C@@H]2CC(=O)NCCN1CCOCC1	35955798	JXGRMWPQCGHEEG-IOKADBLRSA-N	550.766	2.772	0	40	KFAB	biogenic,in-vitro
COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)c1	59851957	RIDAATITGKCNDH-UHFFFAOYSA-N	559.666	2.976	0	40	KFAB	
CS(=O)(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1ccc2c(c1)OCO2	60061060	KATNLGXMJRRZKZ-UHFFFAOYSA-N	532.600	2.796	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccc(F)c5)sc4n3)CC2)cc1	102350258	RWTUKBRTMKYERT-UHFFFAOYSA-N	529.619	2.862	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	222520755	OPWFSVCGORPBRZ-HSZRJFAPSA-N	541.601	2.707	0	40	KFAB	
CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O	222988921	OGIKXHYVGNCOKW-FQEVSTJZSA-N	557.454	2.919	0	40	KFAB	
COc1ccccc1N(CCCC(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)S(C)(=O)=O	224412042	PNZQKGBNLZAEHO-UHFFFAOYSA-N	553.703	2.611	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225074574	ZZEYXGWDNIJHIQ-WOJBJXKFSA-N	517.648	2.864	0	40	KFAB	
COc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1OC	225523423	RIIBEDTVSRVMOH-IBGZPJMESA-N	505.637	2.720	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225587081	IROMIWDPDZADPJ-VWLOTQADSA-N	551.665	2.918	0	40	KFAB	
CC(C)(C)OC(=O)N[C@@H](CCC(=O)N[C@@H]1C[C@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O)C(=O)OC(C)(C)C	257271594	MYYPZJKXKQXREO-XQSLWGCJSA-N	625.727	2.605	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCCC4)c(OC)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	409163315	PNHJBCWETLEUDW-KWXRMHBDSA-N	605.669	2.537	0	40	KFAB	
O=C(NC[C@@H]1C=CS(=O)(=O)C1)Nc1ccc(-c2ccc(NC(=O)NC[C@@H]3C=CS(=O)(=O)C3)cc2)cc1	575424670	VEWGPKGDZKGEIN-ROUUACIJSA-N	530.628	2.713	0	40	KFAB	
CCN1CCN(C(=O)[C@@H]2CCC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N(C)[C@H](Cc3ccccc3)COc3ccccc3C(=O)N2)CC1	643569531	IENUZGUPOCQFDJ-DPFTZIENSA-N	655.796	2.625	0	40	KFAB	
O=C1CN(Cc2ccccc2)C(=O)CC[C@@H](C(=O)NCCc2ccc(F)cc2)NC(=O)c2ccccc2OCCN1	643570076	IGEPMUFTXVGYKY-SANMLTNESA-N	560.626	2.601	0	40	KFAB	
COc1cc(CN2CC(=O)NCCCCCOc3ccc(CC(=O)O)cc3C2)ccc1OCCN(C)C	643576430	IZTUWLBJDLVEMG-UHFFFAOYSA-N	513.635	2.944	0	40	KFAB	
CCOC(=O)CNC(=O)[C@H](c1cccs1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(CC)cc1	6822095	DECILKLJRGCVOZ-IBGZPJMESA-N	515.617	2.516	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCC3)c3cc(C)ccc3OC)n2)cc1OC	12480783	WSYJDLWAWJLZSB-UHFFFAOYSA-N	508.579	2.766	0	40	KFAB	
COc1ccc([C@H](CNC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)N2CCOCC2)cc1	12552857	SRGZFSDZZKAZLG-RPBOFIJWSA-N	503.665	2.886	0	40	KFAB	
COc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(Cc4ccccc4)CC3)c(=O)[nH]c2c1	19940450	NEDSDMBTLQVZAQ-JYFHCDHNSA-N	515.618	2.609	0	40	KFAB	
O=C1[C@H]2[C@@H](C(=O)N1C[C@H]1CCCO1)[C@@H](Cc1c[nH]c3ccccc13)N[C@@]21C(=O)Nc2c(Cl)cccc21	20567768	QKLUCXMJAOUBOR-ZUVWJWHDSA-N	504.974	2.963	0	40	KFAB	
CCCOc1ccc(N2C(=O)C[C@H](N3CCN([C@H]4CC(=O)N(c5ccc(OCCC)cc5)C4=O)CC3)C2=O)cc1	22874444	JIYYMYJDVOTERW-UIOOFZCWSA-N	548.640	2.846	0	40	KFAB	
CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1	38140789	KQRWEUXASHUFQE-UHFFFAOYSA-N	538.066	2.923	0	40	KFAB	
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nc4cc5c(cc4s3)OCCO5)cc2)CC1	60134581	BEFYYXKDLXORTJ-UHFFFAOYSA-N	532.600	2.783	0	40	KFAB	
CCN(Cc1ccccc1)C(=O)Cn1c(=O)n(CC(=O)NCCc2ccc(OC)c(OC)c2)c(=O)c2sccc21	97986768	PTQWJMGNSVSVPM-UHFFFAOYSA-N	564.664	2.650	0	40	KFAB	
COC(=O)c1ccc([C@H](c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)N2CCN(c3ccccc3)CC2)cc1	102908516	OFBRSDUDBKJZHC-HHHXNRCGSA-N	539.636	2.876	0	40	KFAB	
COCCN(CCOC)S(=O)(=O)c1cccc(C(=O)OCc2csc(CC(=O)Nc3ccccc3OC)n2)c1	103118789	NARVMMYIYPRSJW-UHFFFAOYSA-N	577.681	2.973	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1	224202595	DUNCQIAATZORRH-UHFFFAOYSA-N	552.074	2.981	0	40	KFAB	
O=C(CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)NCc1ccc(CN2CCOCC2)cc1	224558562	PNCILAYGJUIPAS-UHFFFAOYSA-N	537.638	2.802	0	40	KFAB	
CCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O	224570004	LARMOFYICDMECP-NRFANRHFSA-N	505.637	2.722	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(CC(=O)NCCSc2ncn[nH]2)Cc2ccc(Br)cc2)cc1	226025658	LRINCFIQRLZEOG-UHFFFAOYSA-N	524.466	2.975	0	40	KFAB	
COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1	409136798	ZOKVYXGKIZAIFY-FYJGNVAPSA-N	529.546	2.747	0	40	KFAB	
O=C(N[C@@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1ccc(C2CCCCC2)cc1)C(Cl)(Cl)Cl	575423708	QALWPOSDAWLXDF-HZPDHXFCSA-N	517.884	2.665	0	40	KFAB	
CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)NC(=O)c2ccccc2OCCN(C)C1=O	643565161	CMFLKWIZGPFMBE-UIOOFZCWSA-N	596.700	2.561	0	40	KFAB	
CC(C)C[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCCN2CCCCCC2)CC(=O)N[C@H](C(C)C)C(=O)N1	643566364	XFIYIAFHNOYVJV-FKIGELJASA-N	571.763	2.622	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(OC)c3)c(=O)n2[C@H]1c1ccc(O)c(OCC)c1	2776963	SHPFZMWMEQBAIK-JUTHHCEFSA-N	510.568	2.617	0	40	KFAB	
COCCNC(=O)[C@H](c1ccc2ncccc2c1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1F	6136226	HLEUDRRRUCJFEF-NRFANRHFSA-N	522.562	2.662	0	40	KFAB	
COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(OC)ccc(OC)c3s2)cc1	11612162	IYBSPCALFXLHMA-UHFFFAOYSA-N	509.606	2.849	0	40	KFAB	
CCOc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C[C@@H]2CCCO2)C(=O)Cn2nnc3ccccc32)cc1	12480144	RGEUHPYCZFZXLD-WCYRKSIYSA-N	521.618	2.874	0	40	KFAB	
O=C(NC1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1)C12CC3CC(CC(C3)C1)C2	12645605	KMXBMJUQYHYELX-UHFFFAOYSA-N	521.705	2.613	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)N(CC(C)C)[C@H]1CCS(=O)(=O)C1	12863348	FBQZPYVVHKRZKX-IBGZPJMESA-N	506.646	2.732	0	40	KFAB	
COC(=O)[C@]1(CCSC)N[C@@H](c2ccccc2F)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21	20150777	XHKULFIEMQMMNF-UGCAPWQASA-N	500.548	2.712	0	40	KFAB	
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3ccccc3)S(C)(=O)=O)cc2)n1	20458896	TUTVUCRXCXZJIP-QGZVFWFLSA-N	503.606	2.687	0	40	KFAB	
COc1ccc([C@@H](Nc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)C(=O)NC[C@H]2CCCO2)cc1OC	33936952	HOKKBSSZGQJUFF-TYBLODHISA-N	533.647	2.610	0	40	KFAB	
O=C(Cc1ccccc1)N[C@@H]1C(=O)N2[C@@H](C(=O)OC(c3ccccc3)c3ccccc3)[C@H](O)CS[C@H]12	35565245	JSNDVKXNQUBARH-VBHAUSMQSA-N	502.592	2.691	0	40	KFAB	
COCCN(C(=O)CN1CCC[C@@H]1c1nc2ccccc2s1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	97981556	GVEPFOYGKRATSQ-HXUWFJFHSA-N	534.642	2.593	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)c1	223036726	VGWYEZDKSHJPEK-SFHVURJKSA-N	535.663	2.810	0	40	KFAB	
Cc1ccccc1CN(C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C	224129248	VQAPJCOOOZEVFE-FQEVSTJZSA-N	517.648	2.722	0	40	KFAB	
COc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1CN(C)S(=O)(=O)c1ccc(C)cc1	224782332	DBLSKPOTWFQIJV-UHFFFAOYSA-N	503.602	2.724	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)CC2)cc1C	226080968	HHRXQLAVYGTZDB-UHFFFAOYSA-N	509.650	2.602	0	40	KFAB	
CC(C)COC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3)C2)cc1	408662774	XXUZZFGOYXYDRA-SFHVURJKSA-N	515.950	2.828	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccc(Cl)cc43)c(=O)n2[C@H]1c1ccc(OC)cc1OC	409113461	GDWGUDQWPPDBFK-AGGMBTAESA-N	539.997	2.791	0	40	KFAB	
C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C(=O)O)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6O[C@H](C)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@@H]6O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]12	514287821	IIIOQVDDEWZCEQ-JTVDGLATSA-N	794.976	2.830	0	40	KFAB	biogenic,in-vitro
COc1cccc(CCNC(=O)[C@@H]2CC(=O)N[C@H](CC(C)C)C(=O)N(C)CC(=O)N[C@H](Cc3ccccc3)COc3ccccc3C(=O)N2)c1	643574842	UUQHOSSWUBHJJU-FZPFXXBJSA-N	685.822	2.652	0	40	KFAB	
Cc1cc(NC(=O)CSc2nc3cc4c(cc3c(=O)n2CCCC(=O)NCc2ccc3c(c2)OCO3)OCO4)[nH]n1	2975647	GNPCYBKWSKZCSH-UHFFFAOYSA-N	578.607	2.713	0	40	KFAB	
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)C(N)=O	6134954	UKOYGZDVMPSONY-FDFHNCONSA-N	520.671	2.644	0	40	KFAB	
Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC[C@H]1CCCO1)c1ccc(O)cc1	12473901	SKEYFTWNKYGHNU-UTKZUKDTSA-N	509.588	2.522	0	40	KFAB	
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)[C@H](Cc3ccc(C(C)C)cc3)NC(C)=O)CC2)cc1	13565746	YRJFRFFYPLFGKF-SANMLTNESA-N	528.675	2.785	0	40	KFAB	
NS(=O)(=O)c1ccc(CNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1	59837467	OMHSVHZHFHSSGV-UHFFFAOYSA-N	566.499	2.646	0	40	KFAB	
O=C(COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl	97979395	KSJRKCASLLOXDF-IZZDOVSWSA-N	612.126	2.731	0	40	KFAB	
COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)COC(=O)c2cc(S(N)(=O)=O)ccc2OC)cc1OC	103117193	BTSJMVXFAFCFBW-IBGZPJMESA-N	559.622	2.956	0	40	KFAB	
O=C(CCCCN1C(=O)c2ccccc2C1=O)N1CCOCCOCCN(C(=O)CCCCN2C(=O)c3ccccc3C2=O)CCOCC1	150368268	KNPWJIMABVLBCO-UHFFFAOYSA-N	676.767	2.640	0	40	KFAB	
COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@@H](C(=O)NCCCOC(C)C)c2ccccc2)cc1	223539210	SUZZTYIKKZKTNQ-RUZDIDTESA-N	519.664	2.588	0	40	KFAB	
C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	223748176	NUKCFUOFVOQUOB-LJQANCHMSA-N	504.628	2.915	0	40	KFAB	
COC(=O)CCC[C@]12C[C@H]3SC[C@@](NC(=O)c4ccccc4)(C3=O)[C@@]1(O)[C@H](NC(=O)c1ccccc1)CS2	229937608	JDUSOGAEKZHNNA-SEWWWYPESA-N	554.690	2.602	0	40	KFAB	
CC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H](C(=O)Nc4cc(C)on4)[C@@]4(C)C=C[C@@]3(O4)[C@H]2C(=O)NC(C)(C)C)c1	245229913	IIOSDNZJVAGURR-SPURFDBYSA-N	506.559	2.784	0	40	KFAB	
CN1CCN(C(=O)CC2(COc3ccc(Cl)cc3)CCN(C(=O)CN3CCCCCC3=O)CC2)CC1	257294531	QUPAXVFTGAJBOE-UHFFFAOYSA-N	519.086	2.894	0	40	KFAB	
CCCC1=C(C(=O)OCC)[C@@H](c2cccs2)n2c(s/c(=C/c3ccc4c(c3)n(C)c(=O)n4C)c2=O)=N1	408863521	NCQDITIPYQEIEI-VOSMRYOYSA-N	522.652	2.830	0	40	KFAB	
O=C(CN1C(=O)S/C(=C/c2cccn2-c2ccc(I)cc2)C1=O)N1CCOCC1	409133051	ZEUYKQBGDRFTFW-SFQUDFHCSA-N	523.352	2.977	0	40	KFAB	
O=C(c1n[nH]c2ccccc12)N1CCCCC2(CCN(Cc3ccccn3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1	643580257	ACEVEYDTCCFPFF-LOSJGSFVSA-N	535.645	2.522	0	40	KFAB	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3nc(=O)c4ccc(C(=O)O)cc4[nH]3)o2)c1	3867107	HAOPISKIQTVIOB-UHFFFAOYSA-N	515.573	2.994	0	40	KFAB	
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](N)CCCCNC(=O)OCc1ccccc1	4016998	RMRQGSRUGRBWCV-YMULXSAJSA-N	659.784	2.543	0	40	KFAB	
CCOC(=O)C1=C(C)C2[C@H]3C(=O)N(c4ccc(OC(C)=O)cc4)C(=O)[C@@H]3C1(C)[C@H]1C(=O)N(c3ccc(OC(C)=O)cc3)C(=O)[C@H]21	6544857	KZOLWLNXXNOVAL-VGQJQVRTSA-N	614.607	2.978	0	40	KFAB	
COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)c(OC)c1	6924535	FOGDZCVUHZBWGW-VGSWGCGISA-N	557.604	2.664	0	40	KFAB	
C[C@H](NC(=O)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O)c1ccc(S(N)(=O)=O)cc1	12523145	HTXPYSAGDHXFOK-ZDUSSCGKSA-N	511.025	2.960	0	40	KFAB	
C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)C[C@H](C)O1	12561369	OLXUFKPDOUDTIR-ROUUACIJSA-N	507.634	2.521	0	40	KFAB	
COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CCN(C(=O)c4ccco4)CC3)cc2c1	19940629	ISVWHEUKGSGEBI-QHCPKHFHSA-N	503.563	2.779	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C	20031515	UEYQTCFYFCVMQU-IBGZPJMESA-N	523.677	2.552	0	40	KFAB	
CCN(CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)S(=O)(=O)c1ccc(Br)cc1	39985359	LDWRZDSPELTMBP-UHFFFAOYSA-N	524.437	2.533	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)Cc2cccc(C)c2)cc1	59837811	QEAFAYUMDAVBDC-UHFFFAOYSA-N	571.721	2.832	0	40	KFAB	
CCOC(=O)c1c(NC(=O)CN2CCN([C@@H]3CCS(=O)(=O)C3)CC2)sc(C)c1-c1ccc(C)cc1	62620646	RKUONYXEPWVGKI-HXUWFJFHSA-N	519.689	2.952	0	40	KFAB	
CCOC(=O)c1ccc(NC(=O)CSc2nc(N)c(NC(=O)c3ccc(OC)c(OC)c3)c(=O)[nH]2)cc1	97958202	JXBYVKZANIFXGR-UHFFFAOYSA-N	527.559	2.529	0	40	KFAB	
CC(=O)c1cc2c(cc1N(C(=O)Cn1nnc3ccccc31)[C@H](C(=O)NC[C@H]1CCCO1)c1cccn1C)OCO2	100335881	LZJRHHUOUYZECT-GDJIYFAZSA-N	558.595	2.771	0	40	KFAB	
CC(C)(C)OC(=O)CN(CCNCCN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C	135914393	DJKQVANBCPOPFL-UHFFFAOYSA-N	559.745	2.547	0	40	KFAB	
C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	222885760	NITMORZKEIAAKL-MRXNPFEDSA-N	507.584	2.652	0	40	KFAB	
COCCCNC(=O)c1ccccc1NC(=O)CCc1cc(S(=O)(=O)N2CCCC2)ccc1OC	223746390	NYXMJCJAXSUSTQ-UHFFFAOYSA-N	503.621	2.817	0	40	KFAB	
CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223972526	USJNDMPDPODFQZ-HSZRJFAPSA-N	547.674	2.956	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCC2)cc1	224057114	PNWHQVSFZWAIEV-IBGZPJMESA-N	547.674	2.955	0	40	KFAB	
Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1	224226130	CKGWUKPJQBXYRE-UHFFFAOYSA-N	517.629	2.855	0	40	KFAB	
CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225121673	XGZOTYYKVQHIFA-QFIPXVFZSA-N	517.648	2.866	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCC2)c1	260755948	DRLZSYGWUYRVAV-LJQANCHMSA-N	547.674	2.955	0	40	KFAB	
Cc1ccc(Cl)cc1N([C@H](C)C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)S(C)(=O)=O	260888222	KARKNXKMKFVVAR-GOSISDBHSA-N	544.095	2.783	0	40	KFAB	
O=C(COc1ccc(N2C[C@H](C(=O)NCCCN3CCOCC3)CC2=O)cc1)Nc1ccc(Cl)cc1	408582441	WMYKNDLXNLADKM-LJQANCHMSA-N	515.010	2.549	0	40	KFAB	
Cc1ccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NCCCN4CCOCC4)CC3=O)cc2)cc1C	408582484	WSGDAOFKYAGGCH-JOCHJYFZSA-N	508.619	2.512	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccc(F)cc1	408780985	PEBCAHMCBIJTQS-VZIOXZNFSA-N	510.543	2.871	0	40	KFAB	
COc1ccc(OC)c(N(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	409169329	XMOSEEXDUGSSQP-UHFFFAOYSA-N	613.689	2.989	0	40	KFAB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OCC(=O)N4CCOCC4)c(Br)c3Br)C2=O)o1	409403105	YRKKBDUGBVCSJM-DHDCSXOGSA-N	657.268	2.930	0	40	KFAB	
O=C(CN1CCC2(CCCCc3ccccc3OCCNC2=O)CC1)N1CC[C@@H](Cc2cnccn2)C1	643558893	VCBCINWRYFHOCT-QHCPKHFHSA-N	505.663	2.871	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3C)OCO4)c(=O)n2[C@H]1c1ccc(OC)cc1OC	693897	YJDDAIUZWPNVSN-ZYDFGXJWSA-N	522.579	2.853	0	40	KFAB	
Cc1ccc(NC(=O)COC(=O)[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)[C@H](C)O)c(Br)c1	3280812	NKDHKXGBSBSUAW-SGTLLEGYSA-N	519.801	2.621	0	40	KFAB	
CCOC(=O)CNC(=O)[C@H](c1ccc(OCC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)cc1C	6601366	JATASUGJXCJNNS-QHCPKHFHSA-N	553.641	2.907	0	40	KFAB	
CCCCCN(C(=O)CCC(=O)OCC(=O)N(C)Cc1ccc(C)cc1)c1c(N)n(CCCC)c(=O)[nH]c1=O	38140301	DKCMDOJRPRQBEI-UHFFFAOYSA-N	543.665	2.733	0	40	KFAB	
COC(=O)[C@@H]1CN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2)c2ccccc2O1	222698280	DEIUGQOUGMPVGA-QHCPKHFHSA-N	512.540	2.842	0	40	KFAB	
CNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	223292371	LKWKAKLAIQNGFL-HHHXNRCGSA-N	537.638	2.602	0	40	KFAB	
CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	223655263	IXWUSSKCTDLNET-NRFANRHFSA-N	533.647	2.912	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)NCCOc3ccc(S(=O)(=O)N(C)C)cc3)c2)cc1	224261038	TWJFTALYDCDGSQ-UHFFFAOYSA-N	531.656	2.879	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	260947797	JMIYVPSVEPUIPZ-MSOLQXFVSA-N	510.607	2.910	0	40	KFAB	
Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(N2C[C@@H](C(=O)NC[C@@H](C)O)CC2=O)cc1	408574213	CVADPVYJRRWXGC-SJORKVTESA-N	518.408	2.933	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\[C@@H]3C(=O)NC(=S)N(c4ccccc4)C3=O)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1	409037635	YBUAZFKZOMIQOM-MAFIUXTASA-N	634.736	2.610	0	40	KFAB	
Cc1nc(CC(=O)N2CCO[C@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCOCC3)C2)cs1	585284787	ISBKLBYWOXKKFB-XMMPIXPASA-N	508.040	2.881	0	40	KFAB	
COc1cccc(CCCNC(=O)[C@@H]2CCC(=O)NC(C)(C)C(=O)N[C@H](C(C)C)COc3ccccc3C(=O)N2)c1	643571419	LUMJTERPVZUUTH-DQEYMECFSA-N	566.699	2.751	0	40	KFAB	
CCCC(=O)N[C@](C(=O)OCC)(N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3CC)CC1)C(F)(F)F	4047795	LZHCZSQTKQSYSV-XMMPIXPASA-N	558.529	2.719	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@@H](Nc2ncc(-c3ccc(C)cc3)s2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	5808560	LXUJURWYKMGNEE-PBZQEHOFSA-N	520.560	2.614	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(O)c3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	8438637	HAPOCIMZOKOCEB-MFUBYVTQSA-N	524.595	2.920	0	40	KFAB	
COc1ccc(NC(=O)[C@H](c2csnn2)N(Cc2cccnc2)C(=O)CN2C(=O)c3ccccc3C2=O)cc1	8695975	RTQHXZIAYZCUOQ-DEOSSOPVSA-N	542.577	2.947	0	40	KFAB	
COc1ccc(Cn2c(SCC(=O)NC[C@@H]3CCCO3)nc3ccc(N4CCOCC4)cc3c2=O)cc1	9473665	LBHQFRXURGKUCZ-QFIPXVFZSA-N	524.643	2.677	0	40	KFAB	
Cc1ccc(C)c(-n2nnnc2SCC(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)c1	13027941	GWBSSNCXBPPYQA-UHFFFAOYSA-N	500.606	2.592	0	40	KFAB	
CCCCn1c(N)c(N(CCOC)C(=O)COC(=O)COc2cc(C)c(Cl)cc2C(C)C)c(=O)[nH]c1=O	38152797	QFMOKFXUHHJAKY-UHFFFAOYSA-N	539.029	2.606	0	40	KFAB	
O=C(CCSCCC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1	97949092	RMXRONIRWHAMII-UHFFFAOYSA-N	642.745	2.959	0	40	KFAB	
O=C(CCn1c(=O)c2sccc2n(Cc2cc(=O)n3ccccc3n2)c1=O)NCc1ccccc1Cl	101319975	SJJCKONTJJFXMY-UHFFFAOYSA-N	521.986	2.641	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(S(=O)(=O)NCc4ccccc4)ccc3C)CC2)cc1	102993153	RALAPTYIPMXGAO-UHFFFAOYSA-N	543.667	2.629	0	40	KFAB	
CCN(C(=O)CSc1nnc(-c2cccc(C)c2)n1CCOC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	103130751	MLRZPDQOKFZNDD-UHFFFAOYSA-N	549.657	2.526	0	40	KFAB	
O=C(CSc1nnnn1-c1ccccc1)Nc1ccc2nc(SCC(=O)N3CCOCC3)sc2c1	103754307	ABVSJBWDLFYGHZ-UHFFFAOYSA-N	527.657	2.954	0	40	KFAB	
C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)cc2)C[C@@H](C)O1	150440036	TVDLVOSWDQNDNZ-CWTOASCOSA-N	819.981	2.808	0	40	KFAB	
CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cc(Cl)ccc1Cl	216006884	OVBDWVCBPYFROU-UHFFFAOYSA-N	530.415	2.989	0	40	KFAB	
CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	222867686	KHJSONHBDIFKNN-JOCHJYFZSA-N	535.663	2.810	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O	223982740	QFVDTNZPRUMKKL-MRXNPFEDSA-N	512.028	2.677	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O	225450797	RFDUTWZNBGXVEL-QGZVFWFLSA-N	510.454	2.995	0	40	KFAB	
CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225711721	PJKBZMBYXVFEQF-OAQYLSRUSA-N	503.621	2.556	0	40	KFAB	
COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3Cl)C2)c(OC)c1	408654100	JMWQXIXVDPVEIZ-GFCCVEGCSA-N	510.330	2.686	0	40	KFAB	
CCOC(=O)COc1ccccc1/C=c1\sc2n(c1=O)[C@H](c1ccccc1)C(C(=O)OCC)=C(C)N=2	408924786	RDTFVOCGXWOQKT-HVUZKSCUSA-N	506.580	2.740	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)n(C)c(=O)n4C)c(=O)n2[C@H]1c1ccccc1Cl	409086121	YNSMZCDTNSZFTF-WLJFKGHSSA-N	523.014	2.642	0	40	KFAB	
CCc1ccc(O[C@@H](C)C(=O)NCc2nnc(SCC(=O)Nc3ccc(C(=O)OC)cc3)n2C)cc1	409156984	HLTSYGVTWCEKGK-INIZCTEOSA-N	511.604	2.979	0	40	KFAB	
Cc1nc(CC(=O)N2CCO[C@@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCN(C)CC3)C2)cs1	585286617	PLUCCZGWYJVWSA-VWLOTQADSA-N	521.083	2.797	0	40	KFAB	
COCC(=O)N1CCN(C[C@]2(O)CC[C@@H](c3ccccc3)CC2)C[C@](O)(COc2cccc(F)c2)C1	585286770	IPDLWJNOLCKXQP-KEKPKEOLSA-N	500.611	2.815	0	40	KFAB	
COC(=O)c1cn(-c2ccc(N3CCN(C)CC3)c(NC(=O)c3cc(N)c(F)c(C)c3Cl)c2)nn1	1857793716	SKNBJKQSMQVYLP-UHFFFAOYSA-N	501.950	2.741	0	40	KFAB	
CCOC(=O)CNC(=O)[C@@H](Cc1cn(C(=O)OCc2ccccc2)cn1)NC(=O)OCc1ccccc1	4879446	WRIWKMMCBSNXTO-JOCHJYFZSA-N	508.531	2.585	0	40	KFAB	
COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC(C)(C)C)c2ccco2)cc1OC	6075067	YIXISWNTTAGIJX-SFHVURJKSA-N	501.565	2.737	0	40	KFAB	
COc1cc([C@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)C2CCCC2)ccc1O	6906746	MHZBASQIOTVTQW-HXUWFJFHSA-N	501.609	2.723	0	40	KFAB	
CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(OC(F)F)cc3)C2=O)cc1	12942149	PNHLTNWROWCLJW-QHCPKHFHSA-N	524.546	2.723	0	40	KFAB	
CCOc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)Cc3nnnn3Cc3ccc(OC)cc3)cc2c1	17414158	NUZVYVDNPAZYFT-UHFFFAOYSA-N	547.660	2.695	0	40	KFAB	
Cc1cc(I)ccc1NC(=O)CN1CCN(S(=O)(=O)c2cccs2)CC1	35526384	BRUYZCARDFEWMU-UHFFFAOYSA-N	505.403	2.606	0	40	KFAB	
COc1ccccc1CCNC(=O)COc1coc(CN2CCc3cc(OC)c(OC)cc3C2)cc1=O	49543591	RCIBNDBJVYYUGN-UHFFFAOYSA-N	508.571	2.962	0	40	KFAB	biogenic
COc1cc(CCC(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc(OC)c1OC	95568150	HTQIELOGNQEJPG-UHFFFAOYSA-N	557.021	2.501	0	40	KFAB	
CCOC(=O)C1=C(CSc2nc3cc(S(N)(=O)=O)ccc3n2CC)NC(=O)N[C@H]1c1ccc(OC)cc1	97982568	UXVNXLSSZXIOFS-NRFANRHFSA-N	545.643	2.676	0	40	KFAB	
CCOC(=O)c1ccc(S(=O)(=O)Nc2ccccc2-c2nnn(CC(=O)Nc3ccccc3OC)n2)cc1	100365877	LEXWLXZCYDNAHM-UHFFFAOYSA-N	536.570	2.965	0	40	KFAB	
COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCNS(=O)(=O)c3ccc(C)cc3)cc2)cc1Cl	222732259	BMTDUUAWYVZKEG-UHFFFAOYSA-N	568.073	2.931	0	40	KFAB	
C[C@H](C(=O)NCc1ccccn1)N(Cc1ccc(F)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O	222861687	XAPWYFRIVNVEKT-HXUWFJFHSA-N	512.607	2.716	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O	223011047	ACEIAXKINZGLSN-HNNXBMFYSA-N	514.417	2.908	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O	225777046	USHDBVKDNAKIBW-UHFFFAOYSA-N	539.676	2.518	0	40	KFAB	
C[C@@H]1C2=CC(=O)O[C@]2(O)C[C@@H]2[C@@H]1[C@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)[C@@]1(O)[C@](C)(C(=O)O)[C@@H](O)CC[C@]21C	253388450	WHOBGBIOIFGGMR-VTRNQAHJSA-N	620.651	2.878	0	40	KFAB	biogenic,in-vitro
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	408986329	PBJOYHVNFBNWRZ-JGTYQCAFSA-N	554.621	2.928	0	40	KFAB	
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)NC[C@@H]3CCS(=O)(=O)C3)c(=O)cc1[C@@H](NC(C)=O)CC2	524732257	YMMYBIRAEFLUQG-QXWFJRNPSA-N	647.816	2.948	0	40	KFAB	biogenic
C[C@@H]1NC(=O)C[C@@H](C(=O)NCCOc2ccc(Cl)cc2)NC(=O)c2ccccc2OC[C@H](Cc2ccccc2)N(C)C1=O	643565046	CHZVAOBJQXFNTP-DDZLNHKNSA-N	607.107	2.991	0	40	KFAB	
Cc1ccccc1CN1CCC2(CCOc3cc(C4CCOCC4)ccc3S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)N2)CC1	1548891117	XEYLFBFKBOITRY-SXOMAYOGSA-N	583.751	2.946	0	40	KFAB	
CC(C)c1nnc(NC(=O)CN2CCC[C@]3(CC=CCOc4ccccc4C(=O)NCCNC3=O)C2)s1	2037879934	YAMVAYSMBUYSJR-AREMUKBSSA-N	526.663	2.567	0	40	KFAB	
COC(Cn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1cccc(S(=O)(=O)N(C)C)c1)OC	3220378	BECMZYVLPDCFOH-UHFFFAOYSA-N	508.597	2.928	0	40	KFAB	
O=C(CSc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12)N1CCN(C(=O)c2ccco2)CC1	3297648	LPGUUNYNEOMWAG-UHFFFAOYSA-N	514.567	2.703	0	40	KFAB	
CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)N[C@@H](CC(C)C)C(=O)O)CC1	8788894	MRIOEORREGDNCX-COPCDDAFSA-N	509.669	2.542	0	40	KFAB	biogenic
C[C@@H](C(=O)NC1CCCC1)N(C(=O)C[S@@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1F	19941229	YCZMQZUMHHIFQQ-IZNSARCZSA-N	517.579	2.722	0	40	KFAB	
CCC(C)(C)NC(=O)[C@@H](c1ccccc1C)N(CCN1CCOCC1)C(=O)Cn1nnc2ccccc21	20109307	ROLBFAXHKVNFEH-AREMUKBSSA-N	506.651	2.947	0	40	KFAB	
Cc1oc2cc3oc(=O)c(CCC(=O)N[C@@H](CC[S@@](C)=O)C(=O)NCCCC(=O)O)c(C)c3cc2c1C	60045027	NZMHFDPVPCTNRZ-LGIDBQEGSA-N	532.615	2.631	0	40	KFAB	
Cn1cc(C(=O)N2CCc3ccccc3C2)c(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)n1	67337138	UMZHDBAWBDFJMR-UHFFFAOYSA-N	500.024	2.783	0	40	KFAB	
NC(=O)c1nsc(C(=O)N(c2ccc3c(c2)OCO3)[C@@H](C(=O)NCc2ccccc2)c2ccc(O)cc2)c1N	100285003	XIRNTKQXIRGEMT-HSZRJFAPSA-N	545.577	2.963	0	40	KFAB	
COc1ccccc1N(C[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)C(=O)CO1)S(=O)(=O)c1ccccc1	102579263	MNFHFMOSZBWWPC-HXUWFJFHSA-N	530.624	2.815	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	222527992	JPJAFPHDQROPCG-UWJYYQICSA-N	501.605	2.562	0	40	KFAB	
COc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1OC	222641181	GVVBMCMIRVQDOS-SFHVURJKSA-N	505.637	2.802	0	40	KFAB	
COc1ccc(CCNC(=O)[C@@H](Cc2ccccc2)N(Cc2ccccc2)C(=O)CN(C)S(C)(=O)=O)cc1	223042908	LFKKQJJNYRMQFB-HHHXNRCGSA-N	537.682	2.885	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1	223885488	VCHARQWXRMZCPG-HXUWFJFHSA-N	515.632	2.960	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1	224306735	SOSRPIHTENMZID-UHFFFAOYSA-N	535.688	2.763	0	40	KFAB	
CN(C[C@@]1(O)CCCN(c2ccnc3ccncc23)C1)C(=O)c1ccc(OCCN2CCCC2=O)cc1	257341194	ZJGNJFYWRIYHIP-NDEPHWFRSA-N	503.603	2.735	0	40	KFAB	
C[C@@H]1O[C@H](O[C@@H]2CC[C@@]3(C)[C@H](CC[C@]4(C)[C@@H]3C=C[C@]35OC[C@@]6(CCC(C)(C)C[C@@H]63)[C@H](O)C[C@@]54C)C2(C)C)[C@H](O)[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O	257466563	KQGDHYQRJRGMDG-IBYDDYEBSA-N	764.994	2.805	0	40	KFAB	biogenic,in-vitro
CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	261035765	XXCYJZAZUTZHGN-AVRDEDQJSA-N	533.647	2.912	0	40	KFAB	
CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(OCC(=O)N3CCOCC3)c(Br)c2)C1=O	409383700	ZZHDFFDWQTVOEN-LICLKQGHSA-N	527.393	2.675	0	40	KFAB	
CC(=O)N[C@@H]1[C@H](Sc2nnc(COc3ccc(C)cc3)n2-c2ccccc2)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	504259642	BAOWBHPLHKZFJM-QDXQZTBOSA-N	626.688	2.903	0	40	KFAB	biogenic
O=C1[C@@H]2[C@H](CO)N[C@]3(C(=O)N(Cc4ccccc4)c4ccccc43)[C@@H]2C(=O)N1CCCCCCN1C(=O)[C@@H]2[C@H](CO)N[C@]3(C(=O)N(Cc4ccccc4)c4ccccc43)[C@@H]2C1=O	585139074	OQESVVINOMNKPR-XYTOYARRSA-N	836.946	2.562	0	40	KFAB	
O=C1NC2(CCOc3cc(-c4ccccc4)ccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(Cc1cccnc1)CC2	1548890539	RXFLDCLXNHOFQF-FTJBHMTQSA-N	562.692	2.806	0	40	KFAB	
O=C(CN1CC[C@H]2NC(=O)[C@@H](Cc3ccccc3)NC(=O)C3(CC=CC[C@H]2C1)CCOCC3)NCCOc1ccccc1	2037879264	JVZYBQUMZXFXJM-GNSPLJBXSA-N	588.749	2.863	0	40	KFAB	
CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OC)n2c(s/c(=C/c3ccc(N4CCN(C)CC4)o3)c2=O)=N1	8399874	OEWUZHLXJBVKDD-GRVBVBMHSA-N	550.681	2.932	0	40	KFAB	
COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H](C)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O	10333305	ZNNSOTWCPPZOQT-GFCCVEGCSA-N	500.957	2.946	0	40	KFAB	
Cc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(F)cc2)cc1	12706221	OZNIMYVHNSXFJF-NQIIRXRSSA-N	511.579	2.955	0	40	KFAB	
CN(C(=O)CSc1nnc([C@H]2COc3ccccc3O2)n1-c1ccccc1)[C@H]1CCS(=O)(=O)C1	13525217	PCMUHJRIVZKGJX-FXAWDEMLSA-N	500.602	2.517	0	40	KFAB	
CCN(C[C@H](O)COc1ccc(C(C)(C)C)cc1)C[C@@H](O)CN(CCc1ccccc1)S(=O)(=O)O	20814448	HJVDSESDCWSWKY-RPWUZVMVSA-N	508.681	2.754	0	40	KFAB	
Cc1cccc(CCN(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)c1	38145038	FWXRIOMPJLIMOI-NFBKMPQASA-N	539.633	2.993	0	40	KFAB	
COc1ccc(-n2c(CNC(=O)c3ccco3)nnc2SCC(=O)Nc2nnc(C)s2)c(OC)c1	41124375	JZWVHVBMVNHUTE-UHFFFAOYSA-N	515.577	2.698	0	40	KFAB	
C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN3C(=O)N[C@](C)(c4ccc(Br)cc4)C3=O)cc2)C[C@@H](C)O1	96019838	ZDEMMAZTIIRKBY-JRLRZGBRSA-N	579.473	2.653	0	40	KFAB	
O=C(CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1	97940311	BIOMSHUVRFLEHK-UHFFFAOYSA-N	534.660	2.613	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccc(OC)cc5)sc4n3)CC2)cc1	102350456	SDWUPCLSIBHDQP-UHFFFAOYSA-N	541.655	2.732	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1OC)S(C)(=O)=O	222755257	PNGVVCRZJFIBGN-AWEZNQCLSA-N	502.420	2.931	0	40	KFAB	
CCCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	224057593	XTMZHGDEHVFPMN-JOCHJYFZSA-N	517.648	2.948	0	40	KFAB	
COc1ccc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3cc(Cl)ccc3Cl)CC2=O)cc1OC	408658341	QZDQEJJZXUXIDM-CYBMUJFWSA-N	510.330	2.686	0	40	KFAB	
O=C(Nc1ccc(F)cc1F)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	409026752	XBLKOMBTXJBNRF-JOCHJYFZSA-N	521.567	2.667	0	40	KFAB	
Cc1ccc(S(=O)(=O)c2nnn3c2nc(N2CCC(C(N)=O)(N4CCCCC4)CC2)c2ccccc23)cc1	585148655	FFADQQXWZBOPJC-UHFFFAOYSA-N	533.658	2.729	0	40	KFAB	
CCCC[C@H](C(=O)NC(C)(C)C)N(C[C@@H]1CCCO1)C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1	6481447	HOZYLUCNXHFBGL-VQTJNVASSA-N	516.643	2.838	0	40	KFAB	
COc1ccccc1N(C[C@@H](O)CN(C)S(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccccc1	8870948	NUPWADPNDLOGSD-FQEVSTJZSA-N	504.630	2.881	0	40	KFAB	
Cc1ccc(C)c(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)S(=O)(=O)N(C)C)c1	9694799	TZZKYPNLDGJGMF-UHFFFAOYSA-N	523.662	2.812	0	40	KFAB	
COc1ccccc1N1CCN([C@H](c2cc3cccc(C)c3[nH]c2=O)c2nnnn2C[C@@H]2CCCO2)CC1	19826406	LXLZRNZAUKKGDI-HFZDXXHNSA-N	515.618	2.922	0	40	KFAB	
Cc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2c1	22871866	PQUMJXRAUZEYGH-WXVAWEFUSA-N	543.628	2.638	0	40	KFAB	
COc1ccc(NC(=O)Cn2c(=O)n(CC(=O)NC3CCCC3)c(=O)c3oc4ccccc4c32)cc1OC	72332047	YPPGCASSAZDNBQ-UHFFFAOYSA-N	520.542	2.624	0	40	KFAB	
CCCCCCOc1ccc(N2C(=O)C[C@@H](N(Cc3ccc(S(N)(=O)=O)cc3)C(=O)/C=C/C(=O)O)C2=O)cc1	97968912	WZQWNLMYWJXATB-WOOPDLCSSA-N	557.625	2.595	0	40	KFAB	
O=C(C[S@@](=O)CC(=O)N(CC(=O)NC1CCCCC1)Cc1ccc(F)cc1)Nc1ccc2c(c1)OCO2	100294409	WIRJPABFGNXQSB-QNGWXLTQSA-N	531.606	2.719	0	40	KFAB	
C[C@@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)C1=O	102896102	SGAURDRFRVDAKT-SANMLTNESA-N	559.019	2.932	0	40	KFAB	
Cc1ccc(N2C[C@@H](C(=O)OCC(=O)N3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)CC2=O)cc1	103057508	OEINRBQURQKPQL-QHCPKHFHSA-N	535.622	2.577	0	40	KFAB	
CCN(C(=O)COC(=O)C12C[C@@H]3C[C@H](CC(Cl)(C3)C1)C2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	105578796	ISQAGXLWQVNNMG-NNKNXWDPSA-N	515.010	2.641	0	40	KFAB	
C[C@H](C(=O)NC[C@@H]1CCCO1)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1	222735925	GQZGKTKSEHBGFO-YKSBVNFPSA-N	513.660	2.772	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)[C@@H](C)C(=O)NC(C)(C)C)cc1	223085727	DDJUPRBISMWBRS-SFHVURJKSA-N	522.643	2.779	0	40	KFAB	
CNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O	223509568	ICBCBBICXUEBCK-AREMUKBSSA-N	509.628	2.973	0	40	KFAB	
CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OC	223832904	XASQWTSYASUGFZ-OAQYLSRUSA-N	525.649	2.672	0	40	KFAB	
O=C(NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1	226077210	HEVBLMXJDJDVLB-HXUWFJFHSA-N	584.558	2.993	0	40	KFAB	
CO[C@H](/C=C/CC/C=C/C(=O)O)[C@H](O)[C@H](C)[C@H](O)/C(C)=C/[C@H](C)C(=O)CCC[C@@H](CC(N)=O)CC(=O)O	253393532	IZBWUVKNXOGJSA-UZUZHSHDSA-N	525.639	2.625	0	40	KFAB	biogenic,in-vitro
C[C@@]1(O)CC2(CCN(C(=O)CCCn3c(C(F)(F)F)nc4ccccc43)CC2)OC[C@H]1n1ccc(N)nc1=O	257205855	BAVZTUYFQKDFOT-NTKDMRAZSA-N	548.566	2.748	0	40	KFAB	
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCOCCOCCOCCNC(=O)CCCOc1c2ccoc2cc2oc(=O)ccc12	307761625	UUTBYRGIZYWIAB-OIZHIJAMSA-N	688.800	2.706	0	40	KFAB	
COC(=O)c1c(NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)sc2c1CCN(C)C2	408604683	HQUCXUYSYGSEDX-UHFFFAOYSA-N	516.439	2.690	0	40	KFAB	
COc1ccc(CN2CCN(C(C)=O)C[C@](O)(COc3ccc(F)cc3)C2)cc1OCCn1ccnc1C	585280095	JMWQRBKDDPKWHK-NDEPHWFRSA-N	526.609	2.892	0	40	KFAB	
COc1ccccc1N1CCN(C(=O)[C@H]2CN3CC[C@@H]2C[C@@H]3Cn2cc(-c3cccc(N)c3)nn2)CC1	8254432	BQICZXSOXHCUPJ-HUVFLSCGSA-N	501.635	2.595	0	40	KFAB	biogenic,in-vitro
COc1ccc(CN(C(=O)Cn2nnc(-c3ccc(C)o3)n2)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccco2)cc1	17376564	NDOUIQQYMGEAJA-PXDATVDWSA-N	534.573	2.908	0	40	KFAB	
Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1	59838201	ICHILCTYODESOX-SANMLTNESA-N	541.695	2.986	0	40	KFAB	
CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)[C@H](C)CC)C(=O)O	70705040	ZADGHZJEVVLUPY-NUXVFQDLSA-N	536.629	2.620	0	40	KFAB	biogenic
Cc1cc(Br)ccc1NC(=O)CNC(=O)CN1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1	97981533	JAONFIPMARAHAD-UHFFFAOYSA-N	551.507	2.942	0	40	KFAB	
CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc(I)c1OCC(=O)OC	205914195	IZOKTZKSLOOFJY-MHWRWJLKSA-N	574.393	2.900	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCc1nc(-c2cccc(Br)c2)no1	223613884	ODXFHXKKJRVWHT-UHFFFAOYSA-N	565.446	2.778	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O	223667212	PXNDMWFBQMIXML-IBGZPJMESA-N	503.621	2.823	0	40	KFAB	
CC[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O	224256065	IYGYRJIJRLIIDR-LJQANCHMSA-N	552.502	2.984	0	40	KFAB	
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)C(N)=O	245380221	UKOYGZDVMPSONY-FKBYEOEOSA-N	520.671	2.644	0	40	KFAB	
COc1ccc(N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)cc1OC	260909139	QJFZFCKBJXAWHJ-LJQANCHMSA-N	505.637	2.659	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)OCc2cc(=O)n3cc(Br)ccc3n2)cc1	2640263	XGPIZBDDLGHKPT-SFHVURJKSA-N	506.378	2.662	0	40	KFAB	
Cc1c(NC(=O)CSc2nnc(N3C(=O)c4ccccc4C3=O)s2)c(=O)n(-c2ccccc2)n1C	3671660	JLNRUUBTJRPHNA-UHFFFAOYSA-N	506.569	2.867	0	40	KFAB	
COc1cc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2)ccc1O	6906712	SLBPYTQZHOJQCK-NRFANRHFSA-N	509.588	2.985	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(C[C@H]3CCCO3)[C@@H](C(=O)NC[C@@H]3CCCO3)c3ccc(F)cc3)n2)cc1	7060673	ZYIJGJBUZNUTBB-BFLUCZKCSA-N	552.607	2.532	0	40	KFAB	
C[C@H]1CCc2c(sc(N3CC(=O)N(c4sc5c(c4C(N)=O)CC[C@@H](C)C5)CC3=O)c2C(N)=O)C1	12936899	VPLPBOMRABBSRN-TXEJJXNPSA-N	500.646	2.637	0	40	KFAB	
Cc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@H](C(=O)NC(C)(C)C)c3cccs3)n2)cc1	19941073	YBRMFURAVXHUJL-QHCPKHFHSA-N	525.679	2.527	0	40	KFAB	
O=C(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1	20451729	PVERHEUHHHEVJO-INIZCTEOSA-N	506.631	2.983	0	40	KFAB	
COCCCN(C(=O)[C@H](C)Oc1ccc(Br)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	38152768	YMDIKVBNXXAMFY-INIZCTEOSA-N	531.407	2.767	0	40	KFAB	
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	60184740	DAIKHDNSXMZDCU-XWUZGEOZSA-N	525.602	2.659	0	40	KFAB	
CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)/C=C\c1ccc(C)o1	97658326	CFLMRVPYPLIFMM-FLIBITNWSA-N	505.593	2.650	0	40	KFAB	
CCc1ccc(NC(=O)Cn2c(=O)n(CC(=O)NCCc3ccc(OC)c(OC)c3)c(=O)c3sccc32)cc1	97986767	WQTPYFPVPBKPDW-UHFFFAOYSA-N	550.637	2.802	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1	103034226	HCFKLPVDYMRHRF-UHFFFAOYSA-N	551.687	2.922	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)N(c3cc(Cl)ccc3Cl)S(C)(=O)=O)CC2)cc1	113633837	QJVBXHAMBHOKHG-MRXNPFEDSA-N	534.487	2.989	0	40	KFAB	
COc1ccc(CN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)[C@@H](C(=O)NCCN2CCOCC2)c2ccccc2)cc1	223512565	ZMACOHMDOIQDNF-WJOKGBTCSA-N	608.761	2.675	0	40	KFAB	
Cc1ccc(CN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)[C@@H](C)C(=O)NCC(C)C)cc1	224195988	CRLHSJWJQXVROT-FQEVSTJZSA-N	506.644	2.936	0	40	KFAB	
COc1cc(C)c(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C(C)C	224497314	IVFUKNUVCBOVLH-UHFFFAOYSA-N	512.650	2.505	0	40	KFAB	
COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NC[C@@H]3COc4ccccc4O3)Oc3ccc(C)cc32)cc1	225268955	GULQAUJXZHUMIW-CLOONOSVSA-N	510.568	2.916	0	40	KFAB	
Cc1ncc(C(=O)N2CC[C@H](Oc3cccc(Br)c3)[C@@H](CC(=O)N3CCN(C)CC3)C2)c(C)n1	257209155	BPFMLGJVFJMVPY-CVDCTZTESA-N	530.467	2.930	0	40	KFAB	
COc1ccc(OC)c(N(CC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c1	260934153	XYFBFASILXGXGJ-HXUWFJFHSA-N	519.664	2.968	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\Nc3ccccc3OC)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	408878152	XCEWUKZOIJJVRO-LJJBLSSYSA-N	509.584	2.845	0	40	KFAB	
O=C(COc1ccc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)cc1Br)N1CCOCC1	409370266	NWSXXLJBCUOCCP-UNOMPAQXSA-N	518.339	2.919	0	40	KFAB	
O=S1(=O)C[C@@H](O)[C@H](N(c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)S(=O)(=O)c2cccc3cccnc23)C1	575424878	BXZAXTVAMHUUEF-DNQXCXABSA-N	624.722	2.937	0	40	KFAB	
COc1ccc(N([C@H](C)C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)S(C)(=O)=O)cc1Cl	13680348	YAMUUCNNUXZUBN-MRXNPFEDSA-N	510.012	2.576	0	40	KFAB	
COc1ccccc1NC(=O)c1ccc(NC(=O)COC(=O)CCNS(=O)(=O)c2ccccc2)cc1	14360064	PTTSMUJUSJVYSI-UHFFFAOYSA-N	511.556	2.798	0	40	KFAB	
COc1ccc(C)cc1N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)S(C)(=O)=O	19856691	YOJWSQCZEXJRKG-UHFFFAOYSA-N	509.650	2.973	0	40	KFAB	
CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(OC)ccc2[nH]c1=O)N1CCN(Cc2ccccn2)CC1	20081897	INHWOLYVZFMQMA-XMMPIXPASA-N	502.623	2.971	0	40	KFAB	
CC(=O)Nc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1	59816521	OOFGNOPEMYJGFB-LJAQVGFWSA-N	582.705	2.708	0	40	KFAB	
Cc1nc2nc(=S)[nH]n2c(C)c1CCC(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1	102902380	QAXPJRWWJCKSQO-UHFFFAOYSA-N	528.582	2.888	0	40	KFAB	
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Br)cc3)S(C)(=O)=O)cc2)n1	140089769	VCPHPUTVGZMKIJ-UHFFFAOYSA-N	554.448	2.753	0	40	KFAB	
Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)N1C[C@@H](C(=O)NCc2ccccc2)Oc2ccccc21	222794447	MCCFYRVCNPJHMU-MHZLTWQESA-N	565.648	2.505	0	40	KFAB	
CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	225412425	QETJODWDHLHDDO-QFIPXVFZSA-N	533.647	2.914	0	40	KFAB	
CC(C)(O)CCC(=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@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C	253610392	VVBWBGOEAVGFTN-CIGGSABNSA-N	520.707	2.944	0	40	KFAB	biogenic
COC(=O)CN1C(=O)N/C(=C/c2cc(I)c(OCc3cccc(C(=O)O)c3)c(OC)c2)C1=O	408548335	GMZVBDUAHJWQCG-LZYBPNLTSA-N	566.304	2.643	0	40	KFAB	
O=C([C@H](CCCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)N1CCCCCC1	408684588	PEVFDMPWWJFREK-IICAHERZSA-N	519.642	2.542	0	40	KFAB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(I)c(OCC(=O)OC)c(OC)c4)c(=O)n32)cc1OCC	408942691	KYDZWKVLWMPQOR-VPVLBGOXSA-N	708.527	2.981	0	40	KFAB	
CCOC(=O)COc1ccccc1/C=c1/sc2n(c1=O)[C@@H](c1ccc(OCC(=O)OC)c(OCC)c1)C(C(=O)OCC)=C(C)N=2	409038855	PSBXGSFHHUWYOP-WLBMKMHBSA-N	638.695	2.691	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409049352	QMPPEKYKAQCQJK-SXYIDQFDSA-N	624.668	2.683	0	40	KFAB	
CC(C)C[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCc2ccncc2)CCC(=O)N(Cc2ccccc2)CC(=O)N(C)CC(=O)N1	643572365	VQUAWZQALFAHBG-SMCANUKXSA-N	670.811	2.730	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCCN(c3cc(C)ccc3C)S(C)(=O)=O)CC2)cc1	10289176	QRECLCGSKUBONP-UHFFFAOYSA-N	507.678	2.691	0	40	KFAB	
COc1cccc2cc(C(=O)OCC(=O)Nc3cccc(S(=O)(=O)N4CCCCC4)c3)c(=O)oc12	12311546	NJZYWDOJIZJECY-UHFFFAOYSA-N	500.529	2.772	0	40	KFAB	
COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCC2)c2ccco2)cc1OC	12703764	JLYSNZYTKSISHK-HXUWFJFHSA-N	513.576	2.881	0	40	KFAB	
CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@H](Cc1ccccc1)C(=O)O	70704798	WWINRDXLWQQKMF-OYUWMTPXSA-N	570.646	2.817	0	40	KFAB	biogenic
COc1ccc([C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4C[C@H]([C@H]5C(=O)N(CCCC(=O)O)C(=O)[C@H]45)[C@H]23)cc1	100922235	PVTXWLUCAKHKQB-RZXONCOESA-N	500.598	2.783	0	40	KFAB	
O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	215926091	CCKRQIUEMQEVOT-UHFFFAOYSA-N	536.035	2.970	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223074998	NMHCDLVLQDXOAK-FQEVSTJZSA-N	517.648	2.866	0	40	KFAB	
CCCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	224015901	JFPPBZYDGPRTCV-QHCPKHFHSA-N	547.674	2.956	0	40	KFAB	
CC[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O	224410285	AUSDMNMBMVUBLU-XMMPIXPASA-N	553.703	2.610	0	40	KFAB	
CN1CCN(C(=O)CC2(COc3ccc(F)cc3)CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1	257333061	XZYCZNALZXATBR-UHFFFAOYSA-N	507.603	2.979	0	40	KFAB	
O=S1(=O)C[C@@H]2[C@@H](C1)N(S(=O)(=O)c1cc(Br)ccc1Br)[C@H]1CS(=O)(=O)C[C@H]1N2S(=O)(=O)c1cc(Br)ccc1Br	575425060	WXUKIAYGQDFDHZ-TVFCKZIOSA-N	862.254	2.763	0	40	KFAB	
CC(C)(C)OC(=O)NCCCOc1ccc(C(=O)N(Cc2ccccc2)C[C@@H]2C[C@H](O)[C@@H](n3ccc(O)nc3=O)[C@@H]2O)cc1	585262169	YZXKNFOXGJXTGQ-FRRISVFZSA-N	608.692	2.868	0	40	KFAB	
CC(C)C[C@@H]1NC(=O)CC[C@@H](C(=O)NCCOc2ccc(Cl)cc2)NC(=O)c2ccccc2OCCCNC1=O	643567678	PHDPUOGWQKXMAC-ZEQRLZLVSA-N	573.090	2.843	0	40	KFAB	
COc1ccc(CCNC(=O)[C@@H]2CC(=O)N(C)[C@@H](Cc3ccccc3)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C)COc3ccccc3C(=O)N2)cc1	643572857	JXKTTWOSMAUJFB-VHUYVOMVSA-N	685.822	2.650	0	40	KFAB	
Cc1ccc(OCCNC(=O)[C@@H]2CC(=O)N3CCC[C@@H]3C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCCOc3ccccc3C(=O)N2)c(C)c1	643576060	GTQQRNPXOFNOQH-RWSKJCERSA-N	683.806	2.604	0	40	KFAB	
CC(C)N1CC(=O)NCCCCCOc2ccc(CCC(=O)N3CCCC[C@H]3CCNS(=O)(=O)N(C)C)cc2C1	643577180	JOPNZQFHHKGIFX-SANMLTNESA-N	579.808	2.676	0	40	KFAB	
COc1ccc(OCCN(C)C(=O)[C@@H]2CCC(=O)N[C@H](Cc3ccccc3)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1	643580113	KUQFJBKEQBIIMF-URLMMPGGSA-N	616.715	2.690	0	40	KFAB	
COc1cccc(N2C(=O)[C@@H]3C[C@@H](NC(=O)C4CCN(c5nccc(C(F)(F)F)n5)CC4)CCN3C2=O)c1	4221904	VPLCNNPABANYQI-LPHOPBHVSA-N	532.523	2.836	0	40	KFAB	biogenic,in-vitro
COc1ccc(COC(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)OCc2ccccc2)cc1	5542199	CRXSREULUSVSDD-RLWLMLJZSA-N	547.608	2.897	0	40	KFAB	
CCOC(=O)CNC(=O)[C@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(C)c1C	6547123	NICBOLCPMGKSND-QFIPXVFZSA-N	539.614	2.517	0	40	KFAB	
CCC(C)(C)NC(=O)[C@H](c1ccccc1F)N(CCN1CCOCC1)C(=O)Cn1nnc2ccccc21	20109304	RHOUCTIUXWLKQD-VWLOTQADSA-N	510.614	2.777	0	40	KFAB	
Cc1c(Cl)cccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)S(C)(=O)=O	20492474	MRRMZZVGDULCFE-UHFFFAOYSA-N	509.997	2.644	0	40	KFAB	
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3C)S(C)(=O)=O)cc2)n1	30849602	FBTKSZNYBPUGEW-UHFFFAOYSA-N	503.606	2.607	0	40	KFAB	
Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1	32721576	DAQKGGXAMSQUAH-UHFFFAOYSA-N	521.599	2.832	0	40	KFAB	
Cc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1OCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1	59852066	JHOWZXIFEMSSDD-UHFFFAOYSA-N	599.731	2.853	0	40	KFAB	
Cn1cc(C(=O)N2CCc3ccccc3C2)c(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)n1	67337705	JETILKJWSPOYRT-UHFFFAOYSA-N	500.024	2.783	0	40	KFAB	
O=C(C1CCN(S(=O)(=O)c2cccs2)CC1)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1	103037992	ATRAKLICXMHCDD-UHFFFAOYSA-N	567.633	2.581	0	40	KFAB	
C[C@]12CCC(SCC(=O)O)(SCC(=O)O)C[C@@H]1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@@]2(O)C(=O)CO	118924830	XCBVGXHHEMDZIG-APJCOICUSA-N	528.689	2.833	0	40	KFAB	
CS(=O)(=O)N(CC(=O)NCc1ccc(CN2CCCC2)cc1)c1ccc(I)cc1	139855503	JUGITKGOLRIOPE-UHFFFAOYSA-N	527.428	2.969	0	40	KFAB	
COc1ccc(Br)cc1S(=O)(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1	224347094	FTQJSGPXSLGZPE-UHFFFAOYSA-N	519.439	2.600	0	40	KFAB	
Cc1cccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccccc2)c1C	224447624	CMCWVUBCFRMSGA-UHFFFAOYSA-N	587.720	2.715	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	224999105	BUUKGYSZDOFMEV-GOSISDBHSA-N	519.620	2.524	0	40	KFAB	
CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O	225034000	ZAGFFZLWPZNHPF-SFHVURJKSA-N	501.605	2.563	0	40	KFAB	
COc1cccc(S(=O)(=O)N2CCC[C@@](COc3ccccc3)(CC(=O)N3CCN(C)CC3)C2)c1	257253088	JXNCZZNQPSZQDB-AREMUKBSSA-N	501.649	2.709	0	40	KFAB	
CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccc(Br)cc1	408622680	QLMUONPHVWPDOI-QGZVFWFLSA-N	510.410	2.763	0	40	KFAB	
Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@@]1(CC(=O)N2)C(=O)N(CC(=O)Nc2ccc(F)cc2)c2ccccc21	524732978	HNBOLCTWGYZELM-MHZLTWQESA-N	537.515	2.600	0	40	KFAB	
Cc1cc(OC[C@]2(CC(=O)N3CCOCC3)CN(C(=O)CC3CCN(C)CC3)CCO2)ccc1Cl	585286725	QMZHCPYRKQUQGY-SANMLTNESA-N	508.059	2.606	0	40	KFAB	
COc1cc(CN2CCN(C(C)=O)C[C@@](O)(COc3ccc(F)cc3)C2)ccc1OCCn1cccn1	2037931660	BABAGUOIWIBBRS-HHHXNRCGSA-N	512.582	2.584	0	40	KFAB	
CSCC[C@H](NC(=O)[C@H](C)NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)O	8790525	FEFNBLCJYQDJLI-HKUYNNGSSA-N	507.653	2.783	0	40	KFAB	biogenic
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)cc3OC(C)=O)c(=O)n2[C@H]1c1ccccc1	8964938	CXQYWKSHDOTWCM-JGTYQCAFSA-N	520.563	2.649	0	40	KFAB	
COc1ccc(CCNC(=O)[C@@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1	9424963	UCZXOPGWHGEHTE-VWLOTQADSA-N	513.660	2.754	0	40	KFAB	
O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)N1CCN(C/C=C/c2ccccc2)CC1	22250427	YIXBCVGXVANSFH-QPJJXVBHSA-N	520.051	2.597	0	40	KFAB	
COc1ccc(C)cc1S(=O)(=O)N1CCN(c2nc3cc4c(cc3c(=O)n2C(C)C)OCCO4)CC1	28558599	PCONNKJNAZJQLK-UHFFFAOYSA-N	514.604	2.577	0	40	KFAB	
NC(=O)c1nsc(C(=O)N(Cc2ccccc2F)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)c1N	38145867	VOKHBGDMCZTOPF-UWJYYQICSA-N	529.569	2.781	0	40	KFAB	
Cc1c2c(=O)n(-c3nc4ccccc4s3)n(CC(=O)Nc3ccc(F)cc3)c2cc(=O)n1CCN1CCOCC1	97948308	ZHOAEVZYMCRNIJ-UHFFFAOYSA-N	562.627	2.982	0	40	KFAB	
O=C(CN(Cc1cccs1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccccc1	100380571	YXQLRFDVKFRWDK-UHFFFAOYSA-N	535.669	2.599	0	40	KFAB	
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3ccc(COc4ccc(F)cc4Cl)o3)[C@H]2SC1	101571576	AJRKVOGOICUTKC-DYESRHJHSA-N	524.910	2.566	0	40	KFAB	
COc1ccc(C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1S(=O)(=O)N1CCOCC1	103090964	STHSVPAZOLJWGB-UHFFFAOYSA-N	537.900	2.579	0	40	KFAB	
CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Cl)c(C(F)(F)F)c1	108875425	SMLZWZYKYDNHSJ-UHFFFAOYSA-N	555.984	2.784	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	222572313	MVRNWJGPLDMIIX-DEOSSOPVSA-N	555.628	2.749	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2ccccc2OC)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCC2)c1	224029094	FIYLNTCQULJSFM-IBGZPJMESA-N	517.648	2.946	0	40	KFAB	
CCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(OC)c(S(=O)(=O)N4CCCCC4)c3)ccc21	224039126	YSIKFJLGIPBXBU-UHFFFAOYSA-N	507.634	2.970	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	224754201	FLGAPGOBHMOQLR-LJQANCHMSA-N	505.637	2.722	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O	225397508	RAHRBVPLBBVQTC-RTBURBONSA-N	505.637	2.802	0	40	KFAB	
CCOC(=O)c1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1	408679144	CFLOICWDAPLRCE-RCQCCBJZSA-N	516.550	2.763	0	40	KFAB	
COC(=O)c1cccc(NC(=O)[C@@H](OC(=O)c2cccc(OC)c2)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)O)c1	409376499	BDYYWWNXIRFQDA-XZOQPEGZSA-N	551.504	2.965	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OCCn3cc(Cl)cn3)cc2)C[C@@](O)(COc2ccccc2)C1	585280541	PFNYDSFDEDVFDR-MHZLTWQESA-N	529.037	2.716	0	40	KFAB	
CO[C@@H]1CCCN(C(=O)[C@H](CC(=O)O)NC(=O)[C@@H](CC(C)C)NC(=O)Cc2ccccc2OCc2ccccc2)[C@@H]1CCC(=O)N[C@@H](CCCCN)C(=O)O	585292936	BCPVRBZDSDRIJB-YHNSTPKJSA-N	767.921	2.783	0	40	KFAB	
CC(C)[C@@H]1COc2ccc(Cl)cc2C(=O)NCCCCN(C(=O)CCCn2cccn2)CC(=O)N1	643558227	ACXOKJUASMRRJQ-NRFANRHFSA-N	504.031	2.889	0	40	KFAB	
CN(CCOc1ccc(Cl)cc1)C(=O)[C@@H]1CC(=O)N[C@H](Cc2ccccc2)C(=O)N(C)CCOc2ccccc2C(=O)N1	643578985	MGMPIEHEIYNRTN-SXOMAYOGSA-N	607.107	2.944	0	40	KFAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCOc2cccc(C)c2C)CC(=O)N[C@H](Cc2ccccc2)C1=O	643579262	VMIWIFQUGQADFX-WUFINQPMSA-N	600.716	2.956	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1	2164093	RVSFQVOUVQGBBB-WDONWYDGSA-N	552.605	2.669	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1	9489323	GRMCLIQYJGXOTO-UHFFFAOYSA-N	513.641	2.967	0	40	KFAB	
CCCCCN(C(=O)CCC(=O)OCC(=O)N(C)C1CCCCC1)c1c(N)n(CCCC)c(=O)[nH]c1=O	12552980	ROWUVAPWVAXKRN-UHFFFAOYSA-N	521.659	2.557	0	40	KFAB	
CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1	14360592	SRDDVFAOWGKGPP-UHFFFAOYSA-N	502.014	2.931	0	40	KFAB	
CCCCCC[C@H](C)[C@@H]1CC(=O)NCC(=O)N[C@H](C(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)O1	49639616	HQEBGENSMXBRMP-LDKZMJRXSA-N	671.880	2.929	0	40	KFAB	biogenic
COc1ccc(Cn2nnnc2CN(Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)C[C@@H]2CCCO2)cc1	57640395	UDXFAMWKWGBOKR-QFIPXVFZSA-N	520.590	2.770	0	40	KFAB	
COc1cc(/C=c2/sc3nc([C@@H]4COc5ccccc5O4)nn3c2=O)cc(Br)c1OC(C)=O	97946590	GGUFFIAXHCDWLA-WENWWWKYSA-N	530.356	2.908	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@H](C(=O)NC[C@H]3CCCO3)c3ccco3)n2)cc1OC	100277518	SDQUVHJODLQOJL-CLOONOSVSA-N	550.572	2.609	0	40	KFAB	
COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)CNC(=O)c2cccs2)c2cccnc2)cc1OC	100414032	AYVNVNUVDIDZCF-CPJSRVTESA-N	538.626	2.960	0	40	KFAB	
Cc1ccc(N2CCN(C(=O)c3cn(C)nc3S(=O)(=O)N3CCN(c4ccccc4Cl)CC3)CC2)cc1	102920483	YGNYQRJIGIFNAG-UHFFFAOYSA-N	543.093	2.855	0	40	KFAB	
Cc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)S(C)(=O)=O	224304391	KARKNXKMKFVVAR-SFHVURJKSA-N	544.095	2.783	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCC2)cc1	260790244	LWAHZQBQTOMDCV-GOSISDBHSA-N	531.631	2.666	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)O)c(Br)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	409022284	LYANCPNMMMLMIZ-LPMBFVOQSA-N	601.431	2.753	0	40	KFAB	
COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)[C@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1	524729084	CBLJBHDNSYMNRK-JAXLGGSGSA-N	503.640	2.805	0	40	KFAB	biogenic
Cc1csc(CCCNC(=O)[C@@H]2CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCCOc3ccccc3C(=O)N2)n1	643576454	ZXAXANAYQDLOOM-ULNSLHSMSA-N	690.867	2.846	0	40	KFAB	
CC(C)C[C@@H]1NC(=O)CC[C@@H](C(=O)NCCOCc2ccccc2Cl)NC(=O)c2ccccc2OCCN(C)C1=O	643578632	BKFYBTMXPLWGEU-DQEYMECFSA-N	587.117	2.933	0	40	KFAB	
CCN(CC)C(=O)CN1CC[C@@H]2NC(=O)[C@@H](Cc3ccccc3)NC(=O)C3(CC=CC[C@@H]2C1)CCOCC3	1615129896	XHKLATUYFIAALW-UODIDJSMSA-N	524.706	2.536	0	40	KFAB	
COc1ccccc1N(C[C@@H](O)CN(c1ccc(F)cc1)S(C)(=O)=O)S(=O)(=O)c1ccccc1	2709136	DYXYVQLVKXXUPG-FQEVSTJZSA-N	508.593	2.857	0	40	KFAB	
CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)Oc2ccc(Cl)cc21	60028634	JSCXVFAEKOTKGU-FQEVSTJZSA-N	522.992	2.702	0	40	KFAB	
COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(NC(C)=O)nc3=O)[C@@H](O)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1	108477258	AFQGZOMSSIQDMD-BQEQVSEESA-N	587.629	2.847	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	223699222	JGVSLKODZPXRNL-MRXNPFEDSA-N	512.028	2.677	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	225392955	ICGZLURJWONPHW-RBUKOAKNSA-N	535.663	2.810	0	40	KFAB	
CCCN1C(=O)N/C(=C/c2cc(I)c(OCC(=O)OCC)c(OCC)c2)C1=O	409244348	BIKYHLWVLBFGGX-NTEUORMPSA-N	502.305	2.935	0	40	KFAB	
CCc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCCOC)c2ccc(OC)cc2)cc1	6822039	MUKPEHYIBZIJHU-NRFANRHFSA-N	511.604	2.546	0	40	KFAB	
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3cccc(Cl)c3)CC2)N[C@@H]1c1ccc(O)c(OCC)c1	10342453	BBZPHLMXFWVHEO-FGZHOGPDSA-N	500.983	2.973	0	40	KFAB	
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)[C@@H](Cc3ccc(C(C)C)cc3)NC(C)=O)CC2)cc1	13565745	YRJFRFFYPLFGKF-AREMUKBSSA-N	528.675	2.785	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)Cc2ccccc2Cl)cc1	20030745	RDSPVNDPIOJJAQ-UHFFFAOYSA-N	522.048	2.803	0	40	KFAB	
COc1cc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4ccccc4)CC3)c(=O)[nH]c2cc1OC	20080748	RRQGSJQKZGJBGZ-QFQXNSOFSA-N	531.617	2.622	0	40	KFAB	
O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl	38139857	WXQIZZKRMSHWDG-SFHVURJKSA-N	534.487	2.879	0	40	KFAB	
COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1N1CCCC1=O	60060704	QNYPWSPUTQDKPG-UHFFFAOYSA-N	531.616	2.830	0	40	KFAB	
OCCN1CCN(C[C@H](O)Cn2c3ccc(I)cc3c3cc(I)ccc32)CC1	97986470	ZTVDEXVYOMZYID-KRWDZBQOSA-N	605.258	2.975	0	40	KFAB	
CC(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCN(S(=O)(=O)c4ccc(F)c(Cl)c4)CC3)C2=O)cc1	102894928	QLRUWBWNKNGQOQ-VWLOTQADSA-N	551.040	2.903	0	40	KFAB	
COc1cccc(CN(C(=O)CCN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)c1	223053503	MNBBNJIHOUPYML-KRWDZBQOSA-N	501.605	2.562	0	40	KFAB	
COc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc(OC)c(C(=O)N4CCCC4)c3)n2)cc1OC	223593449	ODOQQRMUXUPWMO-UHFFFAOYSA-N	516.576	2.819	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O	223983266	VTDXWRGKFQXTMN-MRXNPFEDSA-N	526.453	2.777	0	40	KFAB	
COc1ccc(OC)c(N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c1	224064344	CGOMUMLXVJAAAP-KRWDZBQOSA-N	523.627	2.941	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NCC(C)C)c1ccc2c(c1)OCCO2	224302572	CKDONJXTLMBHHH-IBGZPJMESA-N	535.638	2.943	0	40	KFAB	
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](OC(=O)CCCC(=O)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(=O)[C@H](C)[C@@H](O)[C@]1(C)O	263595395	DLXKPWOBAXEREQ-MIMCHXKMSA-N	848.037	2.591	0	40	KFAB	
CCc1cc(Br)ccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2c(OC)cccc2OC)C1	408663422	YCRXADURRYAMKD-OAHLLOKOSA-N	548.390	2.704	0	40	KFAB	
C[C@H](C(=O)Nc1ccc(I)cc1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O	408704500	OOKIDBRLJAAHAQ-GFCCVEGCSA-N	502.330	2.856	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/[C@H]3C(=O)N(c4ccccc4)N=C3C)c(=O)n2[C@@H]1c1ccccc1	409019660	VLETZKFDRQZLSS-LPPMMHEWSA-N	500.580	2.789	0	40	KFAB	
COc1cc(/C=c2\sc3nc(=O)c(Cc4ccc(C)cc4)nn3c2=O)cc(Br)c1OC(C)=O	2343570	IMZKKDRCVAJYKJ-ODLFYWEKSA-N	528.384	2.655	0	40	KFAB	
COc1ccc(CNC(=O)CCC(=O)N2CCC(C(=O)NCCc3ccc(OC)c(OC)c3)CC2)cc1	9971021	ZRYPNPWAVVFFMY-UHFFFAOYSA-N	511.619	2.706	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cnc5ccccc5c4=O)cc3)CC2)cc1	13002461	XFIJCEUZQZJGRL-UHFFFAOYSA-N	518.595	2.931	0	40	KFAB	
O=C1[C@H]2[C@@H](C(=O)N1C[C@@H]1CCCO1)[C@H](Cc1c[nH]c3ccccc13)N[C@@]21C(=O)Nc2c(Cl)cccc21	15971644	QKLUCXMJAOUBOR-OORKQQFGSA-N	504.974	2.963	0	40	KFAB	
O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccc(Cl)cc2)CC1)Nc1cccc2ccccc12	19821078	LYVFBFKGDBKNTQ-RUZDIDTESA-N	520.033	2.971	0	40	KFAB	
COc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)NCc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1	59838123	VONTYHGWTAUCAN-UHFFFAOYSA-N	538.047	2.503	0	40	KFAB	
Cc1ccc(N2C(=O)NC(=O)[C@H](C(c3ccncc3)[C@H]3C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)C2=O)cc1	100313821	VHHSZSIZEYUING-VXKWHMMOSA-N	525.521	2.580	0	40	KFAB	
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3nc(O)c4nnn(Cc5cccc(F)c5)c4n3)CC2)cc1	100471638	QYOANBLQRQYSRI-UHFFFAOYSA-N	525.566	2.641	0	40	KFAB	
CCOC(=O)c1ccc2c(c1)s/c(=N\C(=O)c1ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc1)n2CC(=O)OC	100876160	SJRIOJRIDLXRIX-VKRFVGABSA-N	575.665	2.592	0	40	KFAB	
COC(=O)c1cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)cc(C(=O)OC)c1	216456747	JDVJGLPTGBFECV-LJQANCHMSA-N	502.589	2.873	0	40	KFAB	
CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	222485510	HEKWSTKTUCXKTA-OAQYLSRUSA-N	503.621	2.822	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	223051846	SGORVSSLXCTIIY-INIZCTEOSA-N	556.479	2.786	0	40	KFAB	
CO[C@H](/C=C/CC/C=C/C(=O)O)[C@H](O)[C@H](C)[C@@H](O)/C(C)=C/[C@H](C)C(=O)CCCC1CC(=O)NC(=O)C1	253389713	YQDJUXPUIRGKNV-DISQFFMJSA-N	507.624	2.711	0	40	KFAB	biogenic,in-vitro
CN1CCN(C(=O)C[C@@]2(COc3cccc(Cl)c3)CN(C(=O)c3cccnc3Cl)CCO2)CC1	257322322	WFMKHYUGKHALQT-DEOSSOPVSA-N	507.418	2.843	0	40	KFAB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCC(=O)O)c(OCC)c4)c(=O)n32)cc1OCC	408946522	OYYQETGZLBJPEF-NFYDWNOTSA-N	582.631	2.678	0	40	KFAB	
CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCCC1)c1ccc(I)cc1	409029061	VDACMDMLWSCIRK-UHFFFAOYSA-N	527.384	2.932	0	40	KFAB	
Cn1c(N)c(C(=O)CSc2nnc(COc3ccc(Cl)cc3)n2Cc2ccccc2)c(=O)n(C)c1=O	3398749	NIBUSVALXFEALE-UHFFFAOYSA-N	527.006	2.513	0	40	KFAB	
COc1cccc(NC(=O)O[C@@H]2CC[C@@]3(C)[C@H](CC(=O)N4CC[C@H](NC(C)=O)C4)[C@H](O)CC[C@H]3[C@]2(C)CO)c1	4236649	WOUDSVQOUXISSX-YHZHTKJGSA-N	545.677	2.925	0	40	KFAB	biogenic,in-vitro
CCOP(=O)(OCC)[C@@H](NC(=O)OCC(Cl)(Cl)Cl)n1nnc(C(=O)OC)c1C(=O)OC	5537723	PQUNNRWLKHHTOD-LBPRGKRZSA-N	525.666	2.670	0	40	KFAB	
COc1cc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4ccc(F)cc4)CC3)c(=O)[nH]c2cc1OC	6136452	YEZZQRUCGNYSBP-RLWLMLJZSA-N	549.607	2.762	0	40	KFAB	
Cc1ccc(C)c(N2CCN([C@@H](c3cc4cc5c(cc4[nH]c3=O)OCO5)c3nnnn3C[C@H]3CCCO3)CC2)c1	6195725	FBRVWZQKWAQBSG-ZBLYBZFDSA-N	543.628	2.951	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)C[C@@H](NC(N)=O)c2ccc(Cl)cc2)c1	12541631	RQIFPACUCYYAPL-MRXNPFEDSA-N	517.391	2.525	0	40	KFAB	
COc1ccc(OC)c([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCCN4CCOCC4)CC(=O)N32)c1	20412637	VEILCCLLNBRSFS-CUBQBAPOSA-N	518.614	2.592	0	40	KFAB	biogenic
COc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Cc1ccccc1	59838133	YBYGBDPQKOSFIU-UHFFFAOYSA-N	608.138	2.877	0	40	KFAB	
CC(C)CN(C[C@H](OP(=O)(O)O)[C@@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1	97974738	MLBVMOWEQCZNCC-QTJGBDASSA-N	585.616	2.520	0	40	KFAB	in-vitro
NS(=O)(=O)c1ccc(N(C(=O)Cn2nnc(-c3ccccc3)n2)[C@@H](C(=O)NC2CCCCC2)c2ccco2)cc1	100285500	FBVAREYGWXBIEF-RUZDIDTESA-N	563.640	2.804	0	40	KFAB	
COc1cccc([C@@H](C(=O)NC[C@H]2CCCO2)N(CCc2ccc(OC)c(OC)c2)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1	150387344	QGTCUPKHOAXFSR-NJHZRGNWSA-N	651.738	2.965	0	40	KFAB	
COc1ccc(CN(C(=O)CCN2C(=O)c3ccccc3S2(=O)=O)[C@H](C)C(=O)NC(C)(C)C)cc1	223087973	CVZFSIFGAUVBIG-QGZVFWFLSA-N	501.605	2.562	0	40	KFAB	
CC(C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O	225463622	NQACLSORYACXCW-KRWDZBQOSA-N	557.454	2.999	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(Br)cc2Br)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	253500973	VBWWLFJAKXINAH-UHZRXMQZSA-N	582.194	2.674	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	260918175	SNJAURUCWLFHEG-OALUTQOASA-N	503.621	2.556	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NC(C)(C)C)c1ccc2c(c1)OCCO2	261001227	RQKPAXMCZQGSKE-LJQANCHMSA-N	517.648	2.946	0	40	KFAB	
COc1ccc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3cc(C)c(Br)c(C)c3)CC2=O)cc1OC	408671754	UNLVCVPHBJOWFE-MRXNPFEDSA-N	548.390	2.758	0	40	KFAB	
CCOc1c(OC)cccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3cc4c(cc3C)OCO4)c(=O)n21	408972707	VAGCFEBZLWCBPU-AQIZGWBQSA-N	566.632	2.869	0	40	KFAB	
C[C@H](CCCOS(=O)(=O)O)[C@@H]1CC[C@H]2[C@@H]3[C@H](OS(=O)(=O)O)C[C@H]4C[C@H](OS(=O)(=O)O)CC[C@]4(C)[C@@H]3C[C@H](OS(=O)(=O)O)[C@]12C	585658371	PSPMMBBPCMUWKR-KZBSRFMJSA-N	714.852	2.665	0	40	KFAB	in-vitro
COc1ccc(S(=O)(=O)CCC(=O)N2CCN(C)CCCN(C(C)=O)c3ccccc3C2)cc1F	643554063	JXWYVYCEFHIDAI-UHFFFAOYSA-N	505.612	2.715	0	40	KFAB	
O=C1C[C@@H](C(=O)NCc2ccc(CN3CCCC3=O)cc2)NC(=O)c2ccccc2OC[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N1	643567093	RVABZPBAGUTLPR-LMERMFHRSA-N	651.764	2.725	0	40	KFAB	
CCOC(=O)CNC(=O)[C@@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(C)c1C	6546699	SBWWSROPNTYCGF-OAQYLSRUSA-N	527.578	2.648	0	40	KFAB	
CCOC(=O)CNC(=O)[C@@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1CC	6860674	VMDRXXMAHYOHPC-OAQYLSRUSA-N	527.578	2.593	0	40	KFAB	
C=CCn1c(CNC(=O)c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1ccc(C(=O)O)cc1	10127376	LDUZJHOGVAHARY-UHFFFAOYSA-N	511.560	2.840	0	40	KFAB	
CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)COC(=O)[C@@H]2CCCN2C(=O)c2cccs2)c1	12566446	GZXOUBXXWFENEW-IBGZPJMESA-N	507.634	2.874	0	40	KFAB	
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CN(S(C)(=O)=O)c4ccccc4O3)cc2)cc1	20451460	KEOLCRKDQQDVDH-JOCHJYFZSA-N	517.585	2.662	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O	20491126	FSCKBHBBYRJIMF-GOSISDBHSA-N	509.650	2.890	0	40	KFAB	
NS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3nc(-c4cccs4)nc4ccccc34)CC2)cc1	32806450	PACYBDDVWCBGOG-UHFFFAOYSA-N	515.642	2.517	0	40	KFAB	
Cc1ccccc1SCC(=O)OCC(=O)NCCNC(=O)COC(=O)CSc1ccccc1C	32910987	BTQJFOPFUPYKPN-UHFFFAOYSA-N	504.630	2.507	0	40	KFAB	
CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(C(F)(F)F)ccc1Cl	59888172	MHWBMUGNWYUSCP-UHFFFAOYSA-N	555.984	2.784	0	40	KFAB	
COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCC2)c2ccc(O)cc2)cc1OC	100284907	POJDUJOOWGGBTM-JOCHJYFZSA-N	539.614	2.994	0	40	KFAB	
COCCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)sc2cc(OC)ccc21	100873147	RRHBSIPADBFEEM-JBKGGCNYSA-N	519.645	2.897	0	40	KFAB	
Cc1ccc(N2CCN(C(=O)c3cn(C)nc3S(=O)(=O)N3CCN(c4ccc(Cl)cc4)CC3)CC2)cc1	102920676	PMKNETQQJATGJU-UHFFFAOYSA-N	543.093	2.855	0	40	KFAB	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)c1cccc(S(=O)(=O)N2CCCCC2)c1	103048613	VQUMQHQWNKOZRZ-UHFFFAOYSA-N	562.714	2.735	0	40	KFAB	
CO[C@H]1[C@H](O)[C@@H](C)O[C@@H](O[C@@H]2CC[C@@]3(C)[C@H](C[C@@H]4O[C@]45[C@@H]3CC[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@]35O)C2)[C@@H]1OC(C)=O	123346327	BTRWTSHCXGFFFL-ICWKCPIPSA-N	590.710	2.812	0	40	KFAB	
CSc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C(=O)N1CCCC1	224318459	BSXDMJCYKYPCMY-UHFFFAOYSA-N	553.728	2.786	0	40	KFAB	
Cc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)C[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N3CCCC3)cc1)O2	260890566	PNPDOEYQFGKQAD-HHHXNRCGSA-N	585.704	2.931	0	40	KFAB	
Cc1ccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NCCCN4CCOCC4)CC3=O)cc2)c(C)c1	408581861	UWVWMEBVAUGMPG-JOCHJYFZSA-N	508.619	2.512	0	40	KFAB	
COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCN1CCOCC1)c1cc(Cl)cc(Cl)c1	408625788	XBBBQBYDVLSYPE-UHFFFAOYSA-N	516.447	2.954	0	40	KFAB	
CCOC(=O)COc1cc(Br)c(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)cc1OC	409089445	NSFLJMSWVJLXTH-XVBMGZJVSA-N	502.339	2.997	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCCC4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1	409168161	KVGYCBRQSAVWRO-GKKFRVOYSA-N	591.686	2.817	0	40	KFAB	
CCCOC1CCN(CC(=O)N2CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)CN(C(=O)c3ccccc3F)C[C@H]2CC(C)C)CC1	643586719	XGNAGROUYNACRG-NBWMWKMBSA-N	623.807	2.949	0	40	KFAB	
Cc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@@H](C(=O)NC[C@H]3CCCO3)c3ccc(C)o3)n2)o1	888742	GTFUCRCXUYIQTB-WZONZLPQSA-N	508.535	2.801	0	40	KFAB	
CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)cc1	12537452	NIQDPYWLDPTOCX-INIZCTEOSA-N	502.593	2.680	0	40	KFAB	
CC(=O)Nc1ccc(NC(=O)CS(=O)(=O)c2cn(CC(=O)N3C[C@H](C)O[C@H](C)C3)c3ccccc23)cc1	17246368	NRKFJSBKHLZRRE-HDICACEKSA-N	526.615	2.648	0	40	KFAB	
CC(C)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	38142051	PBUNVLRHZGSROC-ICQLZFSISA-N	577.726	2.521	0	40	KFAB	
CCOc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cc(OC)ccc3OC)[nH]c2=O)cc1	46016442	VZPJOACUPMOAFU-UHFFFAOYSA-N	505.574	2.749	0	40	KFAB	
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@H](Cc1ccccc1)C(=O)O	70704950	HVHVKUFUIIQCAU-JYIOINSGSA-N	570.646	2.817	0	40	KFAB	biogenic
COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]2[C@H]2C[C@H]3[C@@H]3C(=O)N([C@H](C(=O)O)C(C)C)C(=O)[C@@H]23)ccc1O	100872324	DNCGAAGWWHHLHQ-FCYPIECQSA-N	530.624	2.733	0	40	KFAB	
CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@@H](C)C(=O)NCCCOCC)cc1	222948272	RCUACPCYLJBBSY-NRFANRHFSA-N	533.691	2.886	0	40	KFAB	
COC(=O)CSc1nnc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)c3cc(C)ccc3O2)s1	223209148	VMUVTZGOXAPUIU-QGZVFWFLSA-N	520.614	2.707	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O	225478909	MIZXYSIQNUERGF-KRWDZBQOSA-N	510.454	2.995	0	40	KFAB	
Cc1ccc(S(=O)(=O)NCCNC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1	226000182	ONWOZDNHPNQZFA-UHFFFAOYSA-N	507.678	2.722	0	40	KFAB	
COc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)NCCNS(=O)(=O)c1ccc(C)cc1)Cc1ccccc1	226066666	ZXRSKMPOZATJGK-UHFFFAOYSA-N	566.101	2.943	0	40	KFAB	
Cc1cc(N2CC[C@](O)(CN(C)C(=O)c3ccc(OCCN4CCCC4=O)cc3)C2)c2cnccc2n1	257290309	QCIUJYRTIPQQSE-NDEPHWFRSA-N	503.603	2.653	0	40	KFAB	
COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NCc2ccccc2)cc1	260722803	SYBXAZFSVWAALK-AREMUKBSSA-N	523.655	2.843	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409041327	ZUNACWPFOZVITR-CJIXEESDSA-N	626.684	2.775	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OCCN3CCCCC3)cc2)C[C@@](O)(COc2cc(F)cc(F)c2)C1	585274884	QJSRTJDNXFYJRN-LJAQVGFWSA-N	547.643	2.930	0	40	KFAB	
O=C(CN1CCC2(CCCCc3ccccc3OCCNC2=O)CC1)N1CC[C@H](Cc2cnccn2)C1	643558890	VCBCINWRYFHOCT-HSZRJFAPSA-N	505.663	2.871	0	40	KFAB	
O=C1C[C@@H](C(=O)NCc2cccc(CN3CCCC3=O)c2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)N1	643580450	KQSKEHWXTLPSPQ-FSEITFBQSA-N	788.902	2.673	0	40	KFAB	
CSCC(=O)N1C[C@@H](NC(=O)Nc2cccc(SC)c2)C[C@H]1C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O	4200873	AXAXPIHMIVGZHP-NMNUPHIUSA-N	568.725	2.557	0	40	KFAB	biogenic,in-vitro
CC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H]3C[C@H](C2)c2ccc(NC(=O)Cc4ccccc4)c(=O)n2C3)cc1	4236522	ZQOVYARZEJTZHJ-LEWJYISDSA-N	520.611	2.796	0	40	KFAB	biogenic,in-vitro
CCOc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NCCOC)c1ccc(F)cc1	6631466	SBSWIMQVOJHTPT-HXUWFJFHSA-N	515.567	2.513	0	40	KFAB	
COc1ccc(C)cc1NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	8454206	VMXACHDCWSGPBQ-QHCPKHFHSA-N	529.640	2.706	0	40	KFAB	
COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H](C)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O	10333300	ZNNSOTWCPPZOQT-LBPRGKRZSA-N	500.957	2.946	0	40	KFAB	
COC(=O)[C@@]1(Cc2ccc(O)cc2)N[C@@H](c2cccs2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21	12498029	SWAGACNLJXQZTJ-GIRPNKPCSA-N	520.563	2.830	0	40	KFAB	
COc1ccc([C@@H](CNC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)N2CCOCC2)cc1	12552855	SRGZFSDZZKAZLG-JWQCQUIFSA-N	503.665	2.886	0	40	KFAB	
COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)NCCCN3CCOCC3)ccc2C)cc1Cl	12931757	AKCNURSHJITVPI-UHFFFAOYSA-N	512.028	2.919	0	40	KFAB	
O=C(CN1C(=O)N/C(=C\c2cn(CC(=O)N3CCOCC3)c3ccccc23)C1=O)Nc1ccc(Cl)cc1	16525411	BWOZJGCNBZJJJI-BKUYFWCQSA-N	521.961	2.685	0	40	KFAB	
CO[C@H](/C=C/CC/C=C/C(=O)O)[C@@H](O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](C)C(=O)CCCC1CC(=O)NC(=O)C1	33991188	HJCZOTBHYAPUHT-NRVTTYDLSA-N	507.624	2.711	0	40	KFAB	biogenic,in-vitro
CCOC(=O)c1sc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)c(C(=O)OCC)c1C	97994486	NDCZUKHXHZGZHV-UHFFFAOYSA-N	540.616	2.692	0	40	KFAB	
COc1ccc(CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C(=O)NC[C@H]2CCCO2)c2nc3ccccc3n2C)cc1	100378094	GCSMCNYCKCBNCZ-RNWIMVQKSA-N	631.711	2.792	0	40	KFAB	
COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)C1	222599127	HAEVSUQOZOUOCW-MRXNPFEDSA-N	530.068	2.947	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O	223052285	MKVGPLZZHUMUOB-HNNXBMFYSA-N	514.417	2.908	0	40	KFAB	
COc1ccc(CNC(=O)[C@H](Cc2ccccc2)N(Cc2ccc(F)cc2)C(=O)CN(C)S(C)(=O)=O)cc1	223186392	KFMOQYZDGRCBMR-SANMLTNESA-N	541.645	2.982	0	40	KFAB	
CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3[C@@H]3C=CC=NN32)cc1	229679975	FZSSCWNLRCNLKE-BQJUDKOJSA-N	508.328	2.971	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(C(=O)OC)cc(C(=O)OC)c3)C2)cc1	408584018	LEVLWSTZAUDYTN-INIZCTEOSA-N	504.561	2.698	0	40	KFAB	
COc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)c1OCC(=O)O	409195345	HWILRDUHZOTPTB-GIJQJNRQSA-N	500.485	2.605	0	40	KFAB	
Cc1cccc(NC(=O)CN2C(=O)N/C(=C\c3ccc(OCC(=O)N4CCOCC4)c(Br)c3)C2=O)c1	409384254	BYLHUFFQAGADTI-MOSHPQCFSA-N	557.401	2.527	0	40	KFAB	
COC(=O)/C=C/CC/C=C/[C@H](OC)[C@H](O)[C@H](C)/C=C(/C)[C@@H](O)[C@H](C)C(=O)CCCC1CC(=O)NC(=O)C1	1775963847	GNDOFUKVROHLCO-RXVPAHNRSA-N	521.651	2.800	0	40	KFAB	biogenic,in-vitro
CC(=O)OC[C@H]1O[C@@H](Oc2ccc(Br)cc2Br)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	8398620	VBWWLFJAKXINAH-OUUBHVDSSA-N	582.194	2.674	0	40	KFAB	
Cc1ccc(NC(=O)CSCC(=O)OCC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)c(C)c1	12684340	FQFLLEMJDLDHAR-HXUWFJFHSA-N	504.630	2.739	0	40	KFAB	
CCOc1ccc(CCN(C(=O)/C=C/C(=O)O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2=O)cc1OCC	13881886	RNRBBMXZDINAJS-IWGBCORSSA-N	510.543	2.837	0	40	KFAB	
COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O	30757934	APNBTOFFRWDBRV-UHFFFAOYSA-N	504.030	2.748	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(CNC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)cc1	59838218	BGYPVOHLVLBTJN-QHCPKHFHSA-N	536.075	2.796	0	40	KFAB	
CCOC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3CC)cc2)sc2cc(S(N)(=O)=O)ccc21	100877692	LYUUFGAPZKZPOH-BXTVSJRGSA-N	594.737	2.608	0	40	KFAB	
COc1ccc(CNC(=O)[C@@H](C)N(Cc2ccccc2)C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	222701645	LWKKYGCFJMHHKE-HSZRJFAPSA-N	581.691	2.829	0	40	KFAB	
CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C	222830460	JFNASPKAUKPSOP-QHCPKHFHSA-N	504.653	2.640	0	40	KFAB	
COc1ccc(-c2noc(CN(C)C(=O)C3CCN(S(=O)(=O)c4ccc(OC)cc4)CC3)n2)cc1	225502690	UBSHOUNXBYCMLM-UHFFFAOYSA-N	500.577	2.813	0	40	KFAB	
COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1OC	408702040	JVQLHNBFFQRJEK-UHFFFAOYSA-N	583.663	2.958	0	40	KFAB	
CCOC(=O)COc1c(I)cc(/C=C(\Sc2n[nH]c(C)n2)C(=O)O)cc1OC	409188653	JDKZHNGHIPJDME-QPEQYQDCSA-N	519.317	2.886	0	40	KFAB	
NC(=O)c1nsc(C(=O)N(c2ccccc2)[C@@H](C(=O)NC[C@@H]2CCCO2)c2c[nH]c3ccccc23)c1N	12467747	NZTUEHLMGIVIKN-KSFYIVLOSA-N	518.599	2.989	0	40	KFAB	
C[C@H](C(=O)NC(C)(C)C)N(C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1ccc(F)cc1	12708967	WZYMUCAFZFVYKZ-GEFOQTLXSA-N	505.568	2.578	0	40	KFAB	
O=C(COC(=O)c1cc(Cl)nc(Cl)c1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	13096641	HKVUNDFVXOSUPQ-UHFFFAOYSA-N	508.767	2.858	0	40	KFAB	
O=C(COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc3c(c1)OCO3)CC2)N[C@@H]1CCS(=O)(=O)C1	33707447	DHKOKBJLEIPRHU-UWKDKTGGSA-N	520.563	2.910	0	40	KFAB	
O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1	59838234	JSDGYNSMLPOZCL-RUZDIDTESA-N	578.112	2.567	0	40	KFAB	
COC(=O)Cn1c(=O)c(C(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2C)c(N)n(Cc2ccccc2)c1=O	103082705	VRYLOUOKAJJKSS-UHFFFAOYSA-N	597.657	2.740	0	40	KFAB	
CNC(=O)[C@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O	223509634	ICBCBBICXUEBCK-SANMLTNESA-N	509.628	2.973	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCc1ccccc1CN1CCCCC1	224852104	WEAMALJVVVFRFL-UHFFFAOYSA-N	515.676	2.951	0	40	KFAB	
COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)N1C[C@@H](C(=O)NCc2ccccc2)Oc2ccccc21	226068987	GIKDXPPGIDCJNR-QHCPKHFHSA-N	527.574	2.565	0	40	KFAB	
C[C@@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N(CC(=O)Nc3ccccc3)C[C@H]3CCCO3)cc2)C1	245230826	ZULIGYPHCSKUQL-IFMALSPDSA-N	535.688	2.916	0	40	KFAB	
CC(C)(O)CCC(=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@H](O)C4(C)C)[C@@]3(C)C(=O)C[C@@]12C	253610393	VVBWBGOEAVGFTN-RIVCUZLLSA-N	520.707	2.944	0	40	KFAB	biogenic
Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1C(=O)N(CC(=O)O)Cc1cc(F)cc(F)c1	257238638	HLWREVSOXGYMQY-UHFFFAOYSA-N	505.522	2.847	0	40	KFAB	
C[C@@H]1O[C@H](O[C@@H]2CC[C@@]3(C)[C@H](CC[C@]4(C)[C@@H]3C=C[C@]35OC[C@@]6(CCC(C)(C)C[C@@H]63)[C@@H](O)C[C@@]54C)C2(C)C)[C@H](O)[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O	257466562	KQGDHYQRJRGMDG-DUFCKJBWSA-N	764.994	2.805	0	40	KFAB	biogenic,in-vitro
COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1OC	408593332	NHLSPUXCDWFJCM-OAHLLOKOSA-N	501.527	2.738	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCC(=O)O)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1	408837479	GKFPKIKBMPJGEN-BHSBJAHRSA-N	512.971	2.915	0	40	KFAB	
CC(C)C[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCc2cccc(CN3CCOCC3)c2)CCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N(C)CC(=O)N1	643572227	UETOLICEOJWPOB-PUBVIUOISA-N	770.928	2.529	0	40	KFAB	
CCCCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N2CCN(CCOc3ccccc3OC)CC2)CC(=O)N[C@@H](CC(C)C)C1=O	643585320	YTYFAZYLFHDNKA-VMPREFPWSA-N	665.832	2.959	0	40	KFAB	
CC(C)CN(C(=O)CN(C)C(=O)C12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	32972036	SMUYGGTUVAPBTP-LJQDGHHOSA-N	522.090	2.800	0	40	KFAB	
O=C(Cn1c(=O)n(CC(=O)NC2CCCC2)c(=O)c2oc3ccccc3c21)NCCc1ccc(Cl)cc1	72332055	ISLWBFBVGUQSNM-UHFFFAOYSA-N	522.989	2.981	0	40	KFAB	
COC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OCC(=O)O)c(=O)n2[C@@H]1c1ccccc1	97961848	IBFNDXYEZWPFGN-PETIARSGSA-N	543.395	2.634	0	40	KFAB	
CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2N)cc1	102922423	KCSQMZUMNDEZTP-UHFFFAOYSA-N	538.055	2.831	0	40	KFAB	
CCOC(=O)C1=C(C)C2[C@@H]3C(=O)N(c4ccc(C(=O)OC)cc4)C(=O)[C@H]3C1(C)[C@H]1C(=O)N(c3ccc(C(=O)OC)cc3)C(=O)[C@H]21	103552329	DIKARTHLYAVYHG-ZQJRZEPCSA-N	614.607	2.701	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3OC)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	107348355	SBNHCTJVZLEOFB-VVOOWDFBSA-N	539.566	2.732	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	223067138	ZPCNVZVEVWLCFB-QGZVFWFLSA-N	568.490	2.930	0	40	KFAB	
CCOc1ccccc1N(CCCC(=O)N(Cc1cccc(OC)c1)[C@H](C)C(=O)NC)S(C)(=O)=O	260858114	KGYVEYSRRCDLJJ-LJQANCHMSA-N	505.637	2.803	0	40	KFAB	
O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc(Br)cc2)C1)Nc1ccc(Br)cc1	408663527	YNJKRCXGJJXINB-CYBMUJFWSA-N	539.180	2.887	0	40	KFAB	
CCOC(=O)N1CCN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)CC1	409004775	RDCGLXCDZXTEST-UHFFFAOYSA-N	524.437	2.941	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCCC4)cc3)c(=O)n2[C@@H]1c1cccc(OC)c1	409156269	NIXLFHINMZWZJX-HTCWZNLXSA-N	561.660	2.808	0	40	KFAB	
COc1cc(CN2CCN(C(C)=O)C[C@@](O)(COc3ccc(C)cc3)C2)ccc1OCCn1ccnc1	585274766	NJNPMXKYLXWHED-MUUNZHRXSA-N	508.619	2.753	0	40	KFAB	
COc1ccc(CNC(=O)CN2CC[C@@H]3NC(=O)[C@H](Cc4ccccc4)NC(=O)C4(CC=CC[C@H]3C2)CCOCC4)cc1	1615122687	ADJGMWHYPZLIKY-BKHJTQGXSA-N	588.749	2.992	0	40	KFAB	
COc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(S(=O)(=O)Nc3cc(OC)nc(OC)n3)cc2)cc1	2368678	RNGJZXQCLBLZAP-AWNIVKPZSA-N	529.600	2.830	0	40	KFAB	
O=C(COc1ccc(N2C[C@H](C(=O)NCc3ccc4c(c3)OCO4)CC2=O)cc1)NCc1ccccc1	2648294	LGXCUULLCRFWCN-OAQYLSRUSA-N	501.539	2.780	0	40	KFAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)CCn4nc(C(F)(F)F)c(Cl)c4C)[C@H]3SC2)s1	2786711	BJZGECNHMSXRLY-MLGOLLRUSA-N	583.039	2.945	0	40	KFAB	
COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC[C@@H](N)C(=O)O)c(=O)cc1[C@@H](NC(C)=O)CC2	2944407	CCCBOTUEAVHMND-UXHICEINSA-N	513.591	2.857	0	40	KFAB	biogenic
CCOC(=O)C[C@@]1(O)Oc2cc3c(cc2[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@H]1C(=O)OCC)OCO3	5664469	MTMPILBIFFMRTK-MVERNJQCSA-N	518.515	2.787	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCO4)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	8438673	BFCOVXKTVBRALI-DKOMQPSQSA-N	522.579	2.934	0	40	KFAB	
Cc1ccc(C)c(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(=O)(=O)N(C)C)c1	9694789	NFVFWRSYTDDZKP-UHFFFAOYSA-N	508.666	2.730	0	40	KFAB	
CC(=O)Nc1ccc2c(COC(=O)c3cccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)c3)cc(=O)oc2c1	14359517	LKLPMXCJEWPJKY-HZPDHXFCSA-N	514.556	2.906	0	40	KFAB	
COCCn1nnnc1[C@@H](c1cc2cc(OC)ccc2[nH]c1=O)N1CCN(c2cccc(C)c2C)CC1	19973250	HFWJGAWSLVDUMD-RUZDIDTESA-N	503.607	2.698	0	40	KFAB	
C[C@@H]1CCc2c(sc3nc(CN4CCOCC4)nc(NCCc4ccc(S(N)(=O)=O)cc4)c23)C1	25392483	CHNXGDRRSPJJHC-MRXNPFEDSA-N	501.678	2.950	0	40	KFAB	
Cc1ccccc1OC[C@@H](O)CN1C(=O)N(CN2C(=O)N(C[C@@H](O)COc3ccccc3C)C(=O)C2(C)C)C(C)(C)C1=O	33354108	QAVMYFNFNRQDTH-ZRZAMGCNSA-N	596.681	2.526	0	40	KFAB	
CC(C)CN(C(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1)[C@@H]1CCS(=O)(=O)C1	38140782	SVQKYNHZQNPLHM-HSZRJFAPSA-N	537.679	2.622	0	40	KFAB	
Cc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@H](C(=O)NCc3ccccc3)c3cccs3)n2)o1	100290300	JTLBJDOBZXNOHR-SANMLTNESA-N	563.684	2.912	0	40	KFAB	
COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)n1N	100977398	WLQFDDWENFKJRA-UHFFFAOYSA-N	540.631	2.606	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@@H](NC(=S)Nc2ccc(Oc3ccccc3)cc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	101462051	RPGZUPIDELFEPL-WBAQKLHDSA-N	574.608	2.848	0	40	KFAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(=O)OC)cc3)c(=O)n2[C@H]1c1ccccc1OC	409099315	QBWGOJQULWXPIR-KZVLXBEFSA-N	519.623	2.899	0	40	KFAB	
CCCCOC(=O)C1=C(N)OC(C)=C(C(=O)OC(C)C)[C@@]12C(=O)N(CC(=O)OCC)c1ccccc12	2366009	KHLBVALKNTUAJY-AREMUKBSSA-N	500.548	2.604	0	40	KFAB	
Cn1c(N)c(C(=O)COC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)c(=O)n(C)c1=O	3369520	INKHISYKPLWGLW-UHFFFAOYSA-N	523.343	2.684	0	40	KFAB	
CCc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCCOC)c2ccc(OC)cc2)cc1	6822192	MUKPEHYIBZIJHU-OAQYLSRUSA-N	511.604	2.546	0	40	KFAB	
COc1ccc([C@H](CC(=O)NCC(=O)O)NC(=O)CCc2c(C)c3ccc(OC)c(C)c3oc2=O)cc1OC	11867539	HRPQDVLMESEMGF-FQEVSTJZSA-N	540.569	2.817	0	40	KFAB	biogenic
CCOc1ccc(S(=O)(=O)NCCC(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1	12602970	TZQITXUQOFPKBR-UHFFFAOYSA-N	509.650	2.957	0	40	KFAB	
COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2)cc1	12711413	SCBSEJYVDIKSJJ-DENIHFKCSA-N	523.615	2.825	0	40	KFAB	
COc1ccc(CCN(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)cc1OC	38145054	UPAQIGNISDYHEB-CYFREDJKSA-N	585.658	2.702	0	40	KFAB	
O=C(CCCCn1c(=O)c2ccccc2n(CC(=O)NCCc2ccccc2)c1=O)NCc1ccco1	45896517	ADWYBYSYKBAUFH-UHFFFAOYSA-N	502.571	2.602	0	40	KFAB	
COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccccc2)cc1OC	59647269	PRHKTCINKFAFBX-UHFFFAOYSA-N	575.665	2.559	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1OC	59837545	YDSLMQDYUHIHJF-UHFFFAOYSA-N	575.709	2.504	0	40	KFAB	
CCOC(=O)C1=C(CC)Nc2ccccc2N=C1NC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1	103022896	AYIFQUGHHXDBDP-UHFFFAOYSA-N	553.641	2.652	0	40	KFAB	
COCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	223221730	MNTNEXZISBLGBM-WJOKGBTCSA-N	639.771	2.888	0	40	KFAB	
COc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c(OC)c1	224087517	OXZAHQFREUGRHM-IBGZPJMESA-N	505.637	2.659	0	40	KFAB	
CC(=O)OCC(=O)O[C@@H]1[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@]2(O)[C@H](OC(C)=O)[C@]2(C)[C@H]3CC(C)(C)C(=O)[C@@H]3C[C@]1(OC(C)=O)[C@@H]2OC(C)=O	255897338	GVQACOLUOBLBLO-GIOBWEJISA-N	714.761	2.894	0	40	KFAB	biogenic,in-vitro
Cc1onc(C(=O)N2CCC3(CCCCNC(=O)c4ccccc4OC[C@@H](C)NC3=O)CC2)c1CN(C)C	643560963	PQRKWVKDWZJPDO-LJQANCHMSA-N	525.650	2.764	0	40	KFAB	
CCOC(=O)Cn1nnnc1CN(Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)c(C)c2[nH]c1=O	926655	BOYYZKFGBXHOKA-UHFFFAOYSA-N	504.547	2.626	0	40	KFAB	
CC(=O)Cc1cc(=O)n([C@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)c(=O)[nH]1	5385845	CVWRDQTZUVUBPC-JKWLULBVSA-N	612.591	2.874	0	40	KFAB	
CCOC(=O)CN(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)[C@H](C(=O)NC(C)(C)C)c1ccc(C)cc1	6546190	RGJSTTPLNOACSM-QHCPKHFHSA-N	510.570	2.835	0	40	KFAB	
Cc1ccc(C)c(N2CCN(CCCNS(=O)(=O)c3ccc4oc(=O)c5ncn(C)c5c4c3)CC2)c1	9153061	LEXXAOGOPGMYIY-UHFFFAOYSA-N	509.632	2.787	0	40	KFAB	
O=C(Nc1cc(C(F)(F)F)ccc1OCC(F)(F)F)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1	16044986	AHCCJGQFLONAGE-LLVKDONJSA-N	501.405	2.751	0	40	KFAB	
COc1cccc([C@@H](C(=O)NC[C@H]2CCCO2)N(Cc2cccs2)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1	33356893	SIXLIFWDGWPYSE-RLWLMLJZSA-N	583.688	2.967	0	40	KFAB	
C[C@@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)CN([C@@H](CCC(N)=O)C(=O)O)C3=O	35270920	VGRPJNIVIGBNNK-ANCPPULHSA-N	514.619	2.974	0	40	KFAB	biogenic,in-vitro
COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1	59837941	ZAEGOXDVETZMPP-UHFFFAOYSA-N	573.693	2.536	0	40	KFAB	
O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc(Br)cc1	102100715	GHKGNTBHCKNYAZ-NRFANRHFSA-N	582.421	2.946	0	40	KFAB	
CCCC(=O)C1(c2ccccc2)CCN(C(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)[C@H](N)Cc2cncn2C)CC1	209585980	GULVVTHHUIIMRL-IZLXSDGUSA-N	559.711	2.956	0	40	KFAB	
CC(C)OCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O	222862783	CBKOSHLYFLXEID-NRFANRHFSA-N	521.655	2.936	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O	223570785	NLZRTMNLAYHIHS-KRWDZBQOSA-N	557.454	2.919	0	40	KFAB	
COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3cccc(Cl)c3)no2)cc1C(=O)N1CCOCC1	223595248	KJPGNUVIOZGOAC-UHFFFAOYSA-N	506.968	2.692	0	40	KFAB	
COc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)S(C)(=O)=O	224380281	UJSLYQROTCCAPM-SFHVURJKSA-N	574.121	2.873	0	40	KFAB	
CCOc1ccccc1N(Cc1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1)S(C)(=O)=O	224488812	MAYROIKNWIMJMU-UHFFFAOYSA-N	617.746	2.881	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)Nc1ccc(C(=O)N2CCCCC2)cc1	225204308	UFYSFOJMTYEKPM-UHFFFAOYSA-N	515.632	2.914	0	40	KFAB	
CCN(CC)S(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1	225495921	QWADFGLXAVWCFT-UHFFFAOYSA-N	509.650	2.765	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	225517282	VSFDGJIDVZUINK-VWLOTQADSA-N	526.634	2.825	0	40	KFAB	
COc1cc([C@@H]2[C@H](C(C)=O)N3N=Cc4ccccc4[C@H]3C23C(=O)OC(C)(C)OC3=O)ccc1OC(C)=O	247976104	VESUMBFJRABQSF-VJBWXMMDSA-N	506.511	2.889	0	40	KFAB	
COC(=O)C1=C(C)N=c2sc(=Cc3c(F)cccc3Cl)c(=O)n2[C@H]1c1ccc(C(=O)OC)cc1	254748737	FZZSREYQDOPWJP-FQEVSTJZSA-N	500.935	2.987	0	40	KFAB	
CCCC1=C(C(=O)OCC)[C@@H](c2ccc3c(c2)OCO3)n2c(s/c(=C3\C(=O)N(C)c4ccccc43)c2=O)=N1	409121485	XIPIUDGVQFOKAF-KXNAUXDSSA-N	531.590	2.654	0	40	KFAB	
CC(=O)N1CCCN(C)CCN(C(=O)c2cccn(CC(=O)NC3CCCCC3)c2=O)Cc2ccccc21	643559731	HPPLORDDOWDOFB-UHFFFAOYSA-N	521.662	2.628	0	40	KFAB	
CC(C)[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)N(C)CCc2ccccc2)CCC(=O)N[C@H](C(C)C)C(=O)N1	643565136	TWWQBSZLMAHBCI-BXTSTYNKSA-N	550.700	2.940	0	40	KFAB	
CC(C)C[C@@H]1NC(=O)CC[C@@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)NC(=O)c2ccccc2OCCN(C)C1=O	643569250	QDDFCBGZLOFTSF-SVBPBHIXSA-N	610.727	2.951	0	40	KFAB	
CCOC(=O)CN1C(=O)[C@]2(C(C(=O)OCc3ccccc3)=C(C)OC(N)=C2C(=O)OCC)c2ccccc21	2231392	SZEDREDBYKNVHK-NDEPHWFRSA-N	520.538	2.615	0	40	KFAB	
CC(C)CN(C[C@H](OP(=O)(O)O)[C@@H](Cc1ccccc1)NC(=O)O[C@@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1	5493516	MLBVMOWEQCZNCC-JRFVFWCSSA-N	585.616	2.520	0	40	KFAB	in-vitro
CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(OC(F)F)cc3)C2=O)cc1	12942156	PNHLTNWROWCLJW-HSZRJFAPSA-N	524.546	2.723	0	40	KFAB	
CCC[C@@H](c1nnnn1CC(=O)OCC)N(Cc1ccco1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3	13499402	IPFKXVXFXCRWMR-NRFANRHFSA-N	522.562	2.986	0	40	KFAB	
CN(Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1)S(C)(=O)=O	14399828	MWIMVPIXMMBIKB-UHFFFAOYSA-N	503.602	2.896	0	40	KFAB	
COc1ccc2c(CC3(Cc4cc(=O)oc5cc(OC)ccc45)C(=O)N(C)C(=O)N(C)C3=O)cc(=O)oc2c1	102922931	LYAPXWFWDZKFAC-UHFFFAOYSA-N	532.505	2.739	0	40	KFAB	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OC(F)(F)O4)n2N)c1	103104343	FFHGLWFBKOLOSX-UHFFFAOYSA-N	540.574	2.742	0	40	KFAB	
COc1ccc(C(=O)N[C@H](CO)c2nnc(SCC(=O)Nc3cc(Cl)ccc3OC)n2C)cc1	107745874	NQUWCXVUJFVAMX-QGZVFWFLSA-N	505.984	2.680	0	40	KFAB	
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4cccs4)C3)cc2)n1	215997654	CQUZBNCROSZGSP-KRWDZBQOSA-N	535.673	2.995	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O	216002493	LMIAIIQFXZHGED-UHFFFAOYSA-N	546.465	2.647	0	40	KFAB	
COc1ccc(CCNC(=O)[C@H](C)N(Cc2ccccc2)C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1OC	222702147	FCFBTCHCEIWJFA-DEOSSOPVSA-N	625.744	2.880	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	223018978	BSCDDRSNDLNUSM-MRXNPFEDSA-N	543.459	2.754	0	40	KFAB	
COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1OC	224104688	ZWJXWYQHESMGQJ-UHFFFAOYSA-N	502.593	2.988	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1cccc(OC)c1)[C@@H](C)C(=O)NCC(C)C)c1ccc2c(c1)OCO2	224442263	ACEWXYZJCMIJKV-IBGZPJMESA-N	533.647	2.770	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C	225586919	OFEMRFZAGDDWIU-SANMLTNESA-N	522.671	2.994	0	40	KFAB	
CN(C)[C@@H]1CC[C@@]2([C@H](O)CNS(=O)(=O)c3ccccc3F)C[C@H](c3ccccc3)C[C@](C)(O2)[C@H]1O	257314926	UZENJWIUVNZGKV-HMYUAASVSA-N	506.640	2.642	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(CC(=O)N4CCOCC4)c4ccccc34)c(=O)n2[C@H]1c1cc(OC)ccc1OC	409173502	IXVRHFJQAZUHMS-JGAIACPSSA-N	630.723	2.629	0	40	KFAB	
COc1ccc(OCCCNC(=O)[C@@H]2CC(=O)N[C@@H](C)C(=O)N(C)[C@@H](Cc3ccccc3)COc3ccccc3C(=O)N2)cc1	643564989	ASZDXZZUYWCZKL-KULFAVDPSA-N	616.715	2.736	0	40	KFAB	
COCCNC(=O)[C@@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C(C)C)cc1	6190852	APMKLULIHUAPJR-OAQYLSRUSA-N	511.604	2.804	0	40	KFAB	
CCN(C(=O)COC(=O)C(c1ccccc1)c1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	32666481	HRHDKBIMJKWNKV-UHFFFAOYSA-N	512.566	2.895	0	40	KFAB	
CCOC(=O)[C@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C\c3ccc(OC(F)F)c(OC)c3)c(=O)n12	35982206	PRFFIEARIFXACY-KOFBQITHSA-N	516.522	2.859	0	40	KFAB	
CCOc1ccc(N(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(=O)(=O)c2cc(C)ccc2OC)cc1	59838068	CQVWAXPPXNYLCC-UHFFFAOYSA-N	617.746	2.935	0	40	KFAB	
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(=O)(=O)N(C)C)cc3)cc2)c(OC)c1	113516075	NHNMZJOBQROTGF-UHFFFAOYSA-N	548.643	3.000	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	222520822	OPWFSVCGORPBRZ-QHCPKHFHSA-N	541.601	2.707	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	225072967	ZQDUBGVJCSVINE-RTBURBONSA-N	503.621	2.822	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	225180311	CFPBDZDVMFWHQV-SFHVURJKSA-N	523.627	2.943	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccc(CC(N)=O)cc2)cc1OC	226011759	XHJCBFULKKCCCR-UHFFFAOYSA-N	511.600	2.604	0	40	KFAB	
O=C(COc1ccc(Br)cc1/C=c1\sc2nc(-c3ccncc3)nn2c1=O)Nc1nccs1	256055549	KWEOXAVZVLECCK-YBEGLDIGSA-N	541.412	2.997	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3/C(=O)N(CC)c4ccccc43)c(=O)n2[C@H]1c1ccc(OC)cc1OC	409148518	ZPGGARDTBDTNPW-AYWGPLOBSA-N	533.606	2.552	0	40	KFAB	
CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)N1CCC2(CC1)NCCc1[nH]cnc12	8764842	KYKALJDUMOLYGZ-SFHVURJKSA-N	506.470	2.687	0	40	KFAB	biogenic
CCn1cc(S(=O)(=O)N(c2ccc(Oc3cccnc3)cc2)S(=O)(=O)c2cnn(CC)c2)cn1	14000320	MIUWMKXWGLUVFN-UHFFFAOYSA-N	502.578	2.891	0	40	KFAB	
O=C1NC(=O)[C@@](Cc2cccs2)(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)C(=O)N1Cc1ccccc1	20111290	RQCUDQDTJPDZIU-PHVLTXCSSA-N	516.623	2.837	0	40	KFAB	biogenic
O=c1cc(CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nc2sc(-c3cccc(F)c3)nn12	41077458	FRZQUWXNPNVQBZ-UHFFFAOYSA-N	503.556	2.603	0	40	KFAB	
O=C1[C@@H]2[C@@H](C(=O)N1CCOCc1ccccc1)[C@@H]1C=C[C@H]2[C@H]2[C@H]3C(=O)N(CCOCc4ccccc4)C(=O)[C@@H]3[C@H]12	100129590	JCNCGBKWUNBWRO-CMGQENBFSA-N	540.616	2.684	0	40	KFAB	
COc1ccc([C@@H](c2c(O)n(C)c(=S)[nH]c2=O)c2c(O)[nH]c(=S)n(C)c2=O)cc1CN1CCCCC1	100730374	YHLQQEZJIFWVKF-MRXNPFEDSA-N	531.660	2.785	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	222510461	HZGBXDWYDYICNH-RUZDIDTESA-N	557.644	2.995	0	40	KFAB	
CCNC(=O)c1ccc(OC)c(S(=O)(=O)N2C[C@@H](C(=O)NCCc3ccccc3)Oc3ccccc32)c1	223016563	NOBYYXDVNKBKGY-DEOSSOPVSA-N	523.611	2.760	0	40	KFAB	
COc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)cc1OC	223732167	IBKHPWPCCUXHRP-IBGZPJMESA-N	517.648	2.946	0	40	KFAB	
CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	223859710	PUFRWSPBJJYPHH-KRWDZBQOSA-N	509.600	2.552	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	224869840	KRWKJAUOGRRGST-QGZVFWFLSA-N	507.584	2.654	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	225505942	BNAHNTTZYBSCRE-RUZDIDTESA-N	539.654	2.856	0	40	KFAB	
O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)NCCSc1ncn[nH]1	226016595	KSADFCQWJLYZLN-UHFFFAOYSA-N	510.439	2.667	0	40	KFAB	
C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@]12Cc1c(O)cc3c(c1O2)CN([C@H](CCC(N)=O)C(=O)O)C3=O	253388193	VGRPJNIVIGBNNK-RFIKKELCSA-N	514.619	2.974	0	40	KFAB	biogenic,in-vitro
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCc3ccc(S(=O)(=O)N4CCCC4)cc3)C2)cc1C	260710478	HQWGHNLPLALEAC-QFIPXVFZSA-N	549.715	2.548	0	40	KFAB	
CC(=O)Nc1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1	408686386	MZTFHDUWXAXRCE-ILQNBUCISA-N	501.539	2.545	0	40	KFAB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4ccc(OC(C)=O)cc4)c(=O)n32)cc1OCC	408949894	SOKATYSTHKPZET-NXAROGRYSA-N	522.579	2.741	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(CC(=O)N4CCOCC4)c4ccccc34)c(=O)n2[C@H]1c1ccc(F)cc1	409151458	BLNGGCGHOBIZGB-STEKTNRRSA-N	588.661	2.751	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)c(=O)n2[C@H]1c1cc(Br)ccc1OC	409169674	QXSDWBNTWNROJI-FSFYKJEYSA-N	686.581	2.816	0	40	KFAB	
O=C(/C=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	409194977	RNMYZCLBTSRFSN-PKNBQFBNSA-N	509.584	2.844	0	40	KFAB	
O=S1(=O)C[C@@H](O)[C@@H](N(c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)S(=O)(=O)c2cccc3cccnc23)C1	575424876	BXZAXTVAMHUUEF-BJKOFHAPSA-N	624.722	2.937	0	40	KFAB	
Cc1ccc(Cl)cc1S(=O)(=O)NCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)ccc1C	575426161	NRCVSAVCMGLGEB-GOSISDBHSA-N	555.527	2.767	0	40	KFAB	
CC(C)Cc1cc(C(=O)N2CCCCNC(=O)c3cc(Cl)ccc3OC[C@H](C)NC(=O)C2)n(C)n1	643559572	YQGCAMLWTCOELW-KRWDZBQOSA-N	504.031	2.822	0	40	KFAB	
CN(C)c1ccc(C(=O)N2CCN(C(=O)C3CCCCC3)[C@H](C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(N)=O)C2)cc1	8627212	JBZXRSMETIGMKT-IZLXSDGUSA-N	572.710	2.680	0	40	KFAB	biogenic,in-vitro
C[C@@]12C=C[C@]3(O1)[C@@H](C(=O)NC1CCCCC1)N(C[C@@H]1CCCO1)C(=O)[C@@H]3[C@@H]2C(=O)NCc1cccs1	12642772	UFBZYNGEHDMXAQ-HWWZCMPFSA-N	513.660	2.533	0	40	KFAB	
COCCn1nnnc1[C@@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)N1CCN(c2cccc(C)c2C)CC1	20084103	MFECIYLARAPVGT-AREMUKBSSA-N	533.633	2.707	0	40	KFAB	
O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1	33661939	JJZUGZXGFUQUDP-UHFFFAOYSA-N	522.023	2.576	0	40	KFAB	
COc1ccc2ccccc2c1CC1(CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)C(=O)N(C)C(=O)N(C)C1=O	35361330	UDKNBCJZDFZWCO-PZJWPPBQSA-N	528.609	2.709	0	40	KFAB	biogenic
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4cccs4)C3)cc2)n1	44846073	GXNLUEHYKLKZFN-INIZCTEOSA-N	521.646	2.687	0	40	KFAB	
COc1c(C)c2c(c(OCCN3CCOCC3)c1C/C=C(\C)CCC(=O)OCCN1CCOCC1)C(=O)OC2	67665226	NLQHBOCWEPCPQB-IPBDZQFASA-N	546.661	2.529	0	40	KFAB	in-vitro
CC[C@@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O	70700940	QBUIPQGZMFCACX-JMBSJVKXSA-N	536.629	2.620	0	40	KFAB	biogenic
O=C(CNC(=O)OCc1ccccc1)N[C@H](CCC(=O)OCc1ccccc1)C(=O)NCC(=O)OCc1ccccc1	100431885	QYOKGPDICIULMA-AREMUKBSSA-N	575.618	2.781	0	40	KFAB	
COc1cc(S(=O)(=O)N2CCOCC2)ccc1NC(=O)COC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	102934311	OSXCFARWBGYVPM-CQSZACIVSA-N	547.413	2.972	0	40	KFAB	
O=C(Nc1ccc(N2CCCC2)c(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1)c1cc(=O)[nH]c(=O)[nH]1	102996578	SJTRWLDZPHBWRN-UHFFFAOYSA-N	523.493	2.735	0	40	KFAB	
CC(=O)c1cccc(N2C(=O)[C@@H]3[C@H](C(=O)Nc4cc(C)on4)[C@@]4(C)C=C[C@@]3(O4)[C@@H]2C(=O)NC(C)(C)C)c1	169342751	IIOSDNZJVAGURR-ACMBTMBKSA-N	506.559	2.784	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	223873900	JYVOFOCNWUVQHJ-GOSISDBHSA-N	521.611	2.697	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCCNS(=O)(=O)c2ccc(C)cc2)cc1C	226053060	PGWROTSWKMNAPO-UHFFFAOYSA-N	559.710	2.640	0	40	KFAB	
CC(=O)Nc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2ccc(C(=O)OCC(C)C)cc2)cc1	408646860	QNPBMCCZYRAHFV-UHFFFAOYSA-N	504.561	2.804	0	40	KFAB	
COC(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)cc1	408676003	CHXDGMCEEITAHC-NBAFEDJBSA-N	524.529	2.847	0	40	KFAB	
COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1C(=O)N1CCOCC1	408693527	YQUMRDSJCOOPJV-UHFFFAOYSA-N	523.611	2.941	0	40	KFAB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(OC)ccc4OC)c(=O)n32)cc1OCC	408933648	BTYSDJAIRMCHKI-PQBKBUHISA-N	524.595	2.833	0	40	KFAB	
CS(=O)(=O)c1ccc(CN2C[C@@H]3C[C@H]2C(=O)NC[C@H]2O[C@H](CCOc4cc(-c5ccccc5)ccc4C(=O)N3)CC[C@@H]2O)cc1	514287502	GXBUDKGWCBQCFO-CXZYXPOOSA-N	633.767	2.937	0	40	KFAB	
CCCC[C@@H](C(=O)NC(C)(C)C)N(C[C@H]1CCCO1)C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1	6481284	HOZYLUCNXHFBGL-UXHICEINSA-N	516.643	2.838	0	40	KFAB	
COc1cccc(CNC(=O)CSc2ncc(S(=O)(=O)c3ccc(Br)cc3)c(=O)[nH]2)c1	8592405	MVZBVRLRNMPWSA-UHFFFAOYSA-N	524.418	2.782	0	40	KFAB	
CCOc1ccc(NC(=O)N2CCC(NC(=O)[C@@H](Cc3ccc(OC)c(OC)c3)NC(C)=O)CC2)cc1	8680719	FIRQNVSWTFLILY-HSZRJFAPSA-N	512.607	2.962	0	40	KFAB	
COCCN(C(=O)COC(=O)C(c1ccccc1)c1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	38140441	AFHOOLNUUDMFPX-UHFFFAOYSA-N	542.592	2.522	0	40	KFAB	
Cc1ccc(N2C(=O)NC(=O)[C@@H](C(c3ccncc3)[C@@H]3C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)C2=O)cc1	100313811	VHHSZSIZEYUING-FGZHOGPDSA-N	525.521	2.580	0	40	KFAB	
COc1ccc(CCNC(=O)CCn2c(=O)c3ccccc3n(CC(=O)NCCC3=CCCCC3)c2=O)cc1OC	101330034	CLKUSOSXEQTOKG-UHFFFAOYSA-N	562.667	2.936	0	40	KFAB	
O=C1C[C@@H]2C(=O)N(Cc3ccccc3)[C@@H]1[C@@H](S(=O)(=O)c1ccccc1)[C@@H]2S(=O)(=O)c1ccccc1	102968310	UOFCHJLYOPATKG-VLYJIQRVSA-N	509.605	2.671	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCC(N(C)C)CC4)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	105501256	YAOHDGMEOXENQO-OFCKJYIJSA-N	564.664	2.650	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O	222848019	UIUWFMVQZDEYJG-CQSZACIVSA-N	502.420	2.931	0	40	KFAB	
Cc1cc(Nc2cc(N3CCN(C)CC3)nc(CC3CCN(S(=O)(=O)C4CCCCC4)CC3)n2)[nH]n1	257238758	HMKGLELVJAWYNQ-UHFFFAOYSA-N	516.716	2.921	0	40	KFAB	
COc1ccc(OC)c(N(CC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)c1	260737269	LXJIADWJKCZQQJ-LJQANCHMSA-N	505.637	2.720	0	40	KFAB	
CS(=O)(=O)NCC(=O)N1CCC2(CCCCc3ccccc3OCCN(Cc3ccccn3)C2)CC1	643569036	PIQJBLVZAJVASO-UHFFFAOYSA-N	514.692	2.847	0	40	KFAB	
COc1ccc(CN(CC(=O)Nc2ccccc2)S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cc1	1333349	BBYPANJKPULAPF-UHFFFAOYSA-N	529.640	2.966	0	40	KFAB	
CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)N[C@H](CCC(=O)OCc1ccccc1)C(N)=O	6075207	UECOVOLGPHUWDG-PKTZIBPZSA-N	555.628	2.897	0	40	KFAB	
CC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](c3nc(O)c4nnn(Cc5ccc(F)cc5)c4n3)C2)c1	6161898	FFYOTDOPRNBWNE-GOSISDBHSA-N	510.551	2.885	0	40	KFAB	
CCC[C@H](C(=O)NCCC(C)C)N(C[C@H]1CCCO1)C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1	6501457	ZWKCUODCIFHCKG-NHCUHLMSSA-N	516.643	2.696	0	40	KFAB	
CCOc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccc(C)o1	6631486	DIENBFODNYDARM-QVKFZJNVSA-N	527.603	2.808	0	40	KFAB	
COCCNC(=O)[C@@H](c1ccc(F)cc1)N(Cc1ccccc1Cl)C(=O)c1snc(C(N)=O)c1N	6904936	YVYQQWIQAGQJQB-LJQANCHMSA-N	519.986	2.763	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C)c(S(=O)(=O)N4CCCCC4)c3)CC2)cc1	10288652	IVSSINNZSKTQQH-UHFFFAOYSA-N	505.662	2.625	0	40	KFAB	
CCOc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OC)=C(C)N=3)ccc1OC(C)=O	13591001	DFBYMTKLXUTLPY-YMSBRDKKSA-N	522.579	2.741	0	40	KFAB	
COc1cc(OC)c(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)cc1S(=O)(=O)NC1CC(C)(C)NC(C)(C)C1	97977096	UPZVKFOZQWPHRV-UHFFFAOYSA-N	574.810	2.879	0	40	KFAB	
COc1ccccc1NS(=O)(=O)c1ccc(Cl)c(NC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1	108913443	DCKOXRQGUDVKKD-HCIHMXRSSA-N	515.975	2.895	0	40	KFAB	
CCOC(=O)CN1C(=O)S/C(=C/c2cc(Br)c(OCC(=O)OC)c(OCC)c2)C1=O	205697212	WJHFBUFACYNZTJ-RIYZIHGNSA-N	502.339	2.999	0	40	KFAB	
C[C@@H](C(=O)NC[C@@H]1CCCO1)N(Cc1ccc(Cl)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O	222784189	NTQKBFOADCTUPW-CVDCTZTESA-N	522.067	2.814	0	40	KFAB	
CCOC(=O)C1(c2ccc(NC(=O)COc3ccc(S(=O)(=O)N4CCOCC4)cc3Cl)cc2)CC1	222832801	HPEYPZPESCXHHR-UHFFFAOYSA-N	523.007	2.973	0	40	KFAB	
CC[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)N(c1ccc(C)cc1)S(C)(=O)=O	224393460	UFHVWRGFDHPCRX-XMMPIXPASA-N	537.704	2.909	0	40	KFAB	
Cc1cc(N(CC(=O)NCc2ccc(CN3CCOCC3)cc2)S(C)(=O)=O)ccc1Br	224555371	NNBQYDNVOIFGBZ-UHFFFAOYSA-N	510.454	2.672	0	40	KFAB	
CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	225150580	IEQATNDWGHUROE-OAQYLSRUSA-N	503.621	2.823	0	40	KFAB	
C[C@H]1C[C@H](C)CN(c2cc(N3CCN(c4ccccc4)CC3)nc(NC(=S)NCCN3CCOCC3)n2)C1	225904660	ANXBYNKXVBRMEG-GOTSBHOMSA-N	538.766	2.904	0	40	KFAB	
O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1	408679647	JDLWRTCSOAQANP-FQEVSTJZSA-N	503.596	2.915	0	40	KFAB	
CCCC1=C(C(=O)OCC)[C@H](c2cccc(OC)c2)n2c(s/c(=C3/C(=O)N(CC(=O)OCC)c4ccccc43)c2=O)=N1	409390374	UWZGBHZTELSAJB-DHJMZRGKSA-N	589.670	2.867	0	40	KFAB	
C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)[C@H]5CC[C@]43C)[C@@H]2[C@]1(C)O	1772588264	AWFZJSUJFSUBQU-KTGFDNCFSA-N	664.833	2.528	0	40	KFAB	
CCOC(=O)CNC(=O)[C@@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(C)c1C	6546799	NICBOLCPMGKSND-JOCHJYFZSA-N	539.614	2.517	0	40	KFAB	
Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)cc1	10331858	NLDYZPCZENFZRS-UHFFFAOYSA-N	515.057	2.906	0	40	KFAB	
CN(C)P(=NC(=S)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)(c1ccncc1)N(C)C	12490957	SNFZCXHGCQXRDL-UHFFFAOYSA-N	504.582	2.849	0	40	KFAB	
CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccccc1F	22530595	QQXBHBMLKUNSIM-UHFFFAOYSA-N	506.581	2.878	0	40	KFAB	
CCOC(=O)C1CCN([C@@H](c2cc3cc4c(cc3[nH]c2=O)OCO4)c2nnnn2Cc2ccccc2)CC1	57595158	YZTFLVSZDAVNEI-DEOSSOPVSA-N	516.558	2.656	0	40	KFAB	
COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(Cc2ccc3c(c2)OCO3)C(=O)CNC(=O)c2ccco2)cc1OC	100413035	XHDGESRBFGLGKE-PIKZIKFNSA-N	579.606	2.821	0	40	KFAB	
COc1ccc2cc([C@]3(C)NC(=O)N(CC(=O)N4CCN(S(=O)(=O)c5ccccc5Cl)CC4)C3=O)ccc2c1	102896360	PMYVHYXMWKXOPX-MHZLTWQESA-N	571.055	2.802	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(=O)c(-c4nc(C)cs4)coc3c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	103692502	LODGFUDXZVUDFR-VNXBHDGDSA-N	589.575	2.687	0	40	KFAB	
CC(C)(C)CC(=O)N1CC(=O)N2CC[C@@H](CC(=O)N3CCN(C=O)CC3)[C@@H](/C=C\COc3ccccc3C1)C2	253406049	UDFBOVBWRIMUPO-JQWXVRPUSA-N	538.689	2.555	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	260952342	KBNNVUMJENVEPB-UXHICEINSA-N	519.664	2.844	0	40	KFAB	
CCc1cc(Br)ccc1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2OC)C1	408655139	KXUDNWDBYPBIPZ-HNNXBMFYSA-N	518.364	2.695	0	40	KFAB	
COc1ccc(-c2coc3cc(OCCOCC(=O)OCCOCC(=O)O)c(OC)cc3c2=O)cc1	2060993714	ASCNEBLNBAQFPA-UHFFFAOYSA-N	502.472	2.517	0	40	KFAB	
COc1cc(-n2c(S)nc(=O)c([C@@H]3c4c(cc5c(c4OC)OCO5)CCN3C)c2O)cc(OC)c1OC	1815328	SMSPOUUVDXWGFY-IBGZPJMESA-N	529.571	2.567	0	40	KFAB	
COCCn1nnnc1[C@@H](c1cc2cc(C)c(C)cc2[nH]c1=O)N1CCN(c2cccc(OC)c2)CC1	20083635	ANIMFZOOEXDBEF-RUZDIDTESA-N	503.607	2.698	0	40	KFAB	
COc1ccc2oc(C(=O)OCC(=O)Nc3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)c(C)c2c1	24748673	ICECKIHKRGFCHA-UHFFFAOYSA-N	502.545	2.875	0	40	KFAB	
CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)C1	59838850	OHKQDAMTQUXUIL-SFHVURJKSA-N	544.095	2.706	0	40	KFAB	
COc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)cc1S(=O)(=O)N1CCOCC1	59922860	OMSZBHIJXWUXEK-UHFFFAOYSA-N	572.105	2.550	0	40	KFAB	
O=c1/c(=C/c2ccc(I)o2)sc2n1CN(c1ccc(I)cc1)CN=2	97968546	NHWXXXYSNFNYGT-QPEQYQDCSA-N	563.158	2.596	0	40	KFAB	
Cc1cc(NC(=O)Cn2c(=O)n(CC3CCC(C(=O)NCCc4ccccc4)CC3)c(=O)c3ccccc32)[nH]n1	97986791	JPYGPCVWVIBCCU-UHFFFAOYSA-N	542.640	2.999	0	40	KFAB	
CCOC(=O)C1=C(N)n2c(s/c(=C\c3ccccc3OC)c2=O)=C(S(=O)(=O)c2ccccc2)[C@H]1c1ccccc1OC	108985094	JMIXPQMCXKVJOI-IEUUHXEXSA-N	604.706	2.826	0	40	KFAB	
Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)N1C[C@@H](C(=O)NCc2ccccc2)Oc2ccccc21	222814723	XMOREEUGUUJQIM-VWLOTQADSA-N	523.611	2.735	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCC2)cc1	224057038	AQRHDJDTHWWDLI-IBGZPJMESA-N	547.674	2.955	0	40	KFAB	
CS(=O)(=O)N(CCCC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(Cl)ccc1Cl	224462792	VURCJXCPRXIUPO-UHFFFAOYSA-N	594.539	2.756	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	225393015	HPSUILHDVZIACN-RTBURBONSA-N	535.663	2.810	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	260933542	IAKCJJYZHWFBNU-ROUUACIJSA-N	519.620	2.522	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CC(=O)NCCCn2ccnc2)c2cc(Cl)ccc2OC)cc1OC	408601474	ABSIORKHNIXSLS-UHFFFAOYSA-N	523.011	2.964	0	40	KFAB	
COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(Cl)c(Cl)c3)C2)c(OC)c1	408659413	SILGEKQRFMGMAQ-CYBMUJFWSA-N	510.330	2.686	0	40	KFAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3O)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	409094191	CVJKAVGYEGUNEH-MGSPXPDISA-N	537.638	2.835	0	40	KFAB	
COc1cccc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c1OCC(=O)Nc1ccccc1	409136080	WSIUUGHPUMKDQF-XSFVSMFZSA-N	511.556	2.608	0	40	KFAB	
O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4ccccc41)CC[C@@H]3O)N(Cc1cccc(Cl)c1)C2	514287477	FMIJNEXMPUSMED-AKNSVXHUSA-N	514.022	2.520	0	40	KFAB	
CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCc2cccc(CN3CCCC3=O)c2)CCC(=O)N[C@@H](Cc2ccccc2)C1=O	643569063	KHFHLDAQRALPLI-KYJUHHDHSA-N	639.753	2.582	0	40	KFAB	
CCCCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCc2ccc(CN3CCOCC3)cc2)CC(=O)N[C@@H](CC(C)C)C1=O	643585130	QJNNWCZKUQTUCH-KYJUHHDHSA-N	635.806	2.876	0	40	KFAB	
CCCC(=O)Nc1ccn([C@H]2O[C@@H](COC(=O)CCC)[C@@H](OC(=O)CCC)[C@H]2OC(=O)CCC)c(=O)n1	4984380	IJSVLVFEJFXYPI-IAHMWCFXSA-N	523.583	2.646	0	40	KFAB	
O=C(NCCn1ncc2c(=O)n(Cc3ccc(Cl)cc3)cnc21)[C@H]1CC(=O)N(c2ccc(F)cc2)C1	9823850	YUVIGADWOMUZDZ-KRWDZBQOSA-N	508.941	2.603	0	40	KFAB	
CCOC(=O)C1=C(CSc2nnc(COc3ccccc3F)n2N)NC(=O)N[C@@H]1c1ccc(C)o1	12735819	GSINLBATFZRCLZ-LJQANCHMSA-N	502.528	2.575	0	40	KFAB	
CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12)C(=O)N[C@@H](C)C(=O)O	12886400	WBMOUMRUWNKLGQ-KJKHYIFSSA-N	502.571	2.758	0	40	KFAB	biogenic
CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(S(=O)(=O)N(C)OC)c3)CC2)cc1	13098541	HCDWDACWMYSRIQ-SFHVURJKSA-N	509.650	2.529	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)cc1Cl	16692571	HBBCJOIOIXRKFE-UHFFFAOYSA-N	500.957	2.802	0	40	KFAB	
CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCOC)N3CCN(Cc4cccc(OC)c4)CC3)cc2c1	20082391	SRADEEHNJLUGTI-AREMUKBSSA-N	517.634	2.639	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O	222374299	AFYFIICYSRAWTM-MRXNPFEDSA-N	543.427	2.529	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	222701248	YDYAPUKZZHQKEK-AWEZNQCLSA-N	532.446	2.940	0	40	KFAB	
CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	223137021	ZQCBUIMQQGGQRJ-FQEVSTJZSA-N	524.039	2.821	0	40	KFAB	
Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1	224396318	HEICJBBMZMPHJA-UHFFFAOYSA-N	563.742	2.907	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	225368439	CIQXDAGETZDTCK-WOJBJXKFSA-N	547.674	2.955	0	40	KFAB	
O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1	408714847	QFAJEIMTYBUQOX-DEOSSOPVSA-N	578.068	2.956	0	40	KFAB	
COC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(O)c(OC)c3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC	408935379	DQFQYZHOIADARZ-BYHQVZLYSA-N	530.986	2.793	0	40	KFAB	
COc1cccc(OCC(=O)N2CCO[C@@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCN(C)CC3)C2)c1	585287378	VQRRMBJZPFQWJO-NDEPHWFRSA-N	546.064	2.877	0	40	KFAB	
CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCOc2ccc(Cl)cc2)CC(=O)N[C@H](Cc2ccccc2)C1=O	643551075	RBUWSYOSVXSRSI-IZZNHLLZSA-N	593.080	2.602	0	40	KFAB	
O=C(CN1CCC2(CCCCc3ccccc3OCCCNC2=O)CC1)N1CCO[C@@H](c2cc[nH]n2)C1	643554837	MQKKGONOXMMINO-RUZDIDTESA-N	509.651	2.704	0	40	KFAB	
C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)cc2)C[C@H](C)O1	3167694	LDGPFPLMTLEAFH-KBPBESRZSA-N	509.631	2.750	0	40	KFAB	
CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=S)N2NC(=O)c2ccncc2)cc1	8869435	JHKHBIMTCITLRX-NRFANRHFSA-N	517.567	2.934	0	40	KFAB	
Cc1c(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc(N4CCCS4(=O)=O)cc3)CC2)c(C)c1C	12696958	OWTNYOMUXVSTPF-UHFFFAOYSA-N	519.689	2.915	0	40	KFAB	
COc1cc(-c2nnc(COC(=O)[C@@H](NS(=O)(=O)c3ccccc3)C(C)C)o2)cc(OC)c1OC	13095860	MHCPIAJKTYYWEC-FQEVSTJZSA-N	505.549	2.809	0	40	KFAB	
CC[C@H](c1nnnn1C[C@@H]1CCCO1)N(CCCN1CCOCC1)Cc1cc2cc(C)ccc2[nH]c1=O	13501186	LIFWRMHDMRWOSF-UKILVPOCSA-N	509.655	2.678	0	40	KFAB	
COc1ccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1	13565657	JKJAMHOMDSHNII-AREMUKBSSA-N	509.628	2.865	0	40	KFAB	
COc1ccccc1N1CCN([C@H](c2cc3cc(C)ccc3[nH]c2=O)c2nnnn2C[C@@H]2CCCO2)CC1	19826181	GZFPAJJTFZJULL-HFZDXXHNSA-N	515.618	2.922	0	40	KFAB	
COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(c3ccccc3)CC2)cc1OC	22246671	PIDZVNXKJQSYPC-XMMPIXPASA-N	509.628	2.942	0	40	KFAB	
O=C1[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C(=O)N1c1ccc2c(c1)OCCO2	26771740	KNXKVPINDROMLS-XXPWESIGSA-N	510.344	2.652	0	40	KFAB	biogenic
Cc1cccc(NC(=O)CSCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)c1	38152789	ZMUMPARUTVVHNC-UHFFFAOYSA-N	532.688	2.927	0	40	KFAB	
COC[C@H](C)n1c(SCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)nc2ccccc2c1=O	103067044	SUPMDOUOEMRRRJ-IBGZPJMESA-N	530.672	2.538	0	40	KFAB	
C[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O	224254156	KQYPVWYTJOJZJU-AWEZNQCLSA-N	538.475	2.593	0	40	KFAB	
CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	225444259	SLFZWJJBTLJENV-HSZRJFAPSA-N	531.675	2.990	0	40	KFAB	
CC1CCC(N2CCN3C(=O)c4ccccc4OCC[C@@H]4CC[C@@H](n5cc(CN6CCOCC6)nn5)[C@@H](CNC(=O)[C@@H]3C2)O4)CC1	253394167	ANSWQKSNCXLVRL-AUPWMSGHSA-N	635.810	2.503	0	40	KFAB	
COc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c(OC)c1	260880302	IDXQMKTYFYUWNR-HXUWFJFHSA-N	519.664	2.968	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/[C@@H]3C(=O)N(c4ccccc4)N=C3C)c(=O)n2[C@H]1c1cc(OC)ccc1OC	409022320	JYIMUEXVLZHGMG-PXZVDUBXSA-N	560.632	2.806	0	40	KFAB	
COc1ccc2[nH]cc(CCC(=O)N3CCC4(CCCCOCCCNC(=O)[C@H](C)NC4=O)CC3)c2c1	643564122	LPPBXPMIORFZSI-FQEVSTJZSA-N	512.651	2.929	0	40	KFAB	
C/C=C/C=C/C=C/C(=O)O[C@@H]1[C@H](O)C2=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)C2=O)[C@@]2(C)CCCC(C)(C)[C@@H]12	1772591754	NXFORTNJXMYGOQ-KFVZEVJBSA-N	529.586	2.777	0	40	KFAB	
COc1ccc2c(C)c(CC(=O)N[C@@H](Cc3ccc(Cl)cc3)C(=O)NCCC(=O)O)c(=O)oc2c1C	12881303	ZOOOEWBQRVYCKA-FQEVSTJZSA-N	514.962	2.933	0	40	KFAB	biogenic
Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)Cc2ccc(F)cc2)cc1	59837752	DJTOJLNSEIHLLI-UHFFFAOYSA-N	533.647	2.892	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1	60061073	ZHMLLVGLPTXHTE-UHFFFAOYSA-N	539.651	2.799	0	40	KFAB	
CCOC(=O)c1c(NC(=O)CN2CCN(S(=O)(=O)c3cccs3)CC2)sc(C(=O)N(CC)CC)c1C	96021984	XISOFZBVFNZKTJ-UHFFFAOYSA-N	556.732	2.722	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3Cl)[C@@H](C)C(=O)NC[C@H]3CCCO3)n2)cc1OC	100277237	SVSOARRIOWVQMO-FXAWDEMLSA-N	543.024	2.723	0	40	KFAB	
CCOC(=O)c1c(CC(C)C)csc1NC(=O)COC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2	103116723	PHJRCMPEBPIUQD-UHFFFAOYSA-N	554.643	2.745	0	40	KFAB	
C[C@@H](C(=O)NCCCO)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1	222710185	ZNGWUKHEFLUWQD-FQEVSTJZSA-N	543.617	2.921	0	40	KFAB	
C[C@@H](C(=O)NCc1ccccn1)N(Cc1ccc(F)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O	222861624	XAPWYFRIVNVEKT-FQEVSTJZSA-N	512.607	2.716	0	40	KFAB	
Cc1cc(N2CC[C@@](O)(CN(C)C(=O)c3ccc(OCCN4CCCC4=O)cc3)C2)c2cnccc2n1	257290308	QCIUJYRTIPQQSE-MUUNZHRXSA-N	503.603	2.653	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	260863298	BQPMTSKKZYWRAE-MOPGFXCFSA-N	505.637	2.802	0	40	KFAB	
CCOc1ccc(N([C@H](CC)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)cc1	260890606	PSQIMXXEIWFPQJ-RUZDIDTESA-N	567.730	3.000	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/[C@@H]3C(=O)N(c4ccccc4)N=C3C)c(=O)n2[C@@H]1c1cccs1	409023842	JWYHQWKJJIWQLY-YNRPJPPASA-N	506.609	2.850	0	40	KFAB	
COc1ccccc1CN1CCC2(CCOc3cc(C(C)C)ccc3S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)N2)CC1	1548889806	KKJDGJLSHGITAA-RPWUZVMVSA-N	557.713	2.876	0	40	KFAB	
CC(=O)N1CCN(C(=O)C[C@@H]2c3nc(NC(=O)C(C)(C)C)sc3C[C@H]3[C@@]2(C)CC[C@@H](O)[C@@]3(C)CO)CC1	4222370	FDRJGUWTSKTBOW-CLFWJIOASA-N	534.723	2.624	0	40	KFAB	biogenic,in-vitro
CCOC(=O)C1CCN([C@H](c2cc3cc4c(cc3[nH]c2=O)OCO4)c2nnnn2Cc2ccc(F)cc2)CC1	6194808	BSJJQCVPPJKILZ-XMMPIXPASA-N	534.548	2.795	0	40	KFAB	
O=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1	8685510	ZUPNTFFWGZHVSX-HSZRJFAPSA-N	523.615	2.834	0	40	KFAB	
CCOC(=O)c1ccccc1NC(=O)CSc1nc(-c2ccccc2)nc2c1c(=O)n(C)c(=O)n2C	9382375	LPMKCWYANVFDBZ-UHFFFAOYSA-N	505.556	2.602	0	40	KFAB	
COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)cc1Cl	59851949	ROIVVCRTMVQFEC-UHFFFAOYSA-N	610.110	2.866	0	40	KFAB	
Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)COC(=O)[C@@H]3CC(=O)N(NC(=O)c4ccccc4)C3)cc2)cc1	102097943	USZRRGUBCRAHMJ-OAQYLSRUSA-N	536.562	2.682	0	40	KFAB	
COc1ccc(NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)cc1S(=O)(=O)N1CCCCC1	113490810	CWKXIVXDPAFCIR-UHFFFAOYSA-N	538.692	2.738	0	40	KFAB	
O=C(NCc1cccc(CN2CCOCC2)c1)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1	224724507	ISBIFVPRDACGNR-SANMLTNESA-N	507.612	2.792	0	40	KFAB	
C[C@@]12C=C[C@@]3(O1)[C@H](C(=O)N(C[C@@H]1CCCO1)[C@H]3C(=O)NC1CCCCC1)[C@@H]2C(=O)NCc1cccs1	245230535	UFBZYNGEHDMXAQ-JMRXGTHISA-N	513.660	2.533	0	40	KFAB	
COc1ccc(-n2cccc2/C=C2\NC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)cc1	408949657	BSMPXELRJZXWRN-ULJHMMPZSA-N	501.543	2.854	0	40	KFAB	
Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(OCC(=O)O)c(I)c3)C2=O)c1	409106493	NQASHFBEFNSDIJ-CXUHLZMHSA-N	535.294	2.594	0	40	KFAB	
Cc1ccccc1CC(=O)N1CCCCC2(CCN(Cc3ccncc3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1	643578530	FNYJKMPPVTUPRB-RRPNLBNLSA-N	523.674	2.883	0	40	KFAB	
O=C1CC[C@@H](C(=O)NCCc2ccc3c(c2)OCO3)NC(=O)c2cc(Cl)ccc2OCCCCCN1	1615123554	MNOSOGDHVUKKIB-FQEVSTJZSA-N	515.994	2.985	0	40	KFAB	
O=C(CN1CCC[C@]2(CC=CCOc3ccccc3C(=O)NCCNC2=O)C1)Nc1ccnn1C1CCCC1	2037879842	SZIKVSWMFHSBKX-GDLZYMKVSA-N	534.661	2.904	0	40	KFAB	
CCOC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)OC(C)(C)C	4015574	JMQNNNWOMOJVBU-IDZRBWSNSA-N	660.768	2.962	0	40	KFAB	
O=C(CS(=O)(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12)Nc1ccc(C(F)(F)F)cc1	9519766	JREGIJOHIAGLBN-UHFFFAOYSA-N	509.506	2.931	0	40	KFAB	
O=C(C[S@@](=O)CC(=O)N(CC(=O)NC1CCCCC1)Cc1ccccc1)Nc1ccc2c(c1)OCO2	12710002	QYGWDBNXPYJRHU-BHVANESWSA-N	513.616	2.580	0	40	KFAB	
COc1ccc(CCNC(=O)COC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)cc1OC	15980819	TWJHMSMBQYVMEL-KDURUIRLSA-N	518.632	2.886	0	40	KFAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)c4cc(F)c(F)cc4Cl)[C@H]3SC2)s1	17356885	UAHYTULENJCXQX-BLLLJJGKSA-N	518.976	2.923	0	40	KFAB	
C[C@H](O)[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)CC1)C(=O)O	70701634	OYDNEYNGSFYRIW-OPXMRZJTSA-N	565.667	2.859	0	40	KFAB	biogenic
C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)N1CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC1)C2=O	72142515	HTXHOZHKIXJHGP-WNSKOXEYSA-N	545.489	2.963	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O	223439750	MXOZMGURBWRTKY-LJQANCHMSA-N	505.637	2.803	0	40	KFAB	
CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	224057644	XTMZHGDEHVFPMN-QFIPXVFZSA-N	517.648	2.948	0	40	KFAB	
CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	225269799	CETWIKGSHSYNEY-FQEVSTJZSA-N	507.584	2.654	0	40	KFAB	
CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225686471	JSWATAFONMAFTM-GOSISDBHSA-N	521.611	2.552	0	40	KFAB	
Cc1c(Cl)cccc1NC(=O)COc1ccc(N2C[C@@H](C(=O)NCCCN3CCOCC3)CC2=O)cc1	408573007	BCNIVYOTTZSKFZ-FQEVSTJZSA-N	529.037	2.857	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\Nc3cccc(C(=O)O)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1	408876715	QINOMLFWZURXFF-VLOXRPPESA-N	507.568	2.835	0	40	KFAB	
Cc1cc(OC[C@@]2(CC(=O)N3CCN(C)CC3)CN(C(=O)CCc3c(C)nn(C)c3C)CCO2)ccc1Cl	585282695	ABXIUQUGKVDBDL-MUUNZHRXSA-N	546.112	2.772	0	40	KFAB	
CC1(C)NC(=O)C[C@@H](C(=O)NCc2ccc(CN3CCCC3)cc2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC1=O	643576608	VXBYJZGQTNVNBO-ACHIHNKUSA-N	696.849	2.608	0	40	KFAB	
COCCC[C@H]1O[C@@](O)([C@@H](C)[C@@H]2C[C@H](OC)[C@H](O)C=C(C)C=C(C)C=C(C)[C@@H](O[C@H]3O[C@H](C)[C@@H](OC)[C@H](O)[C@H]3O)[C@@H](C)C=C(CO)C=C(OC)C=C(C)C(=O)O2)[C@H](OC)[C@@H](O)[C@]1(C)O	2048392559	VTVRDHRYRTVEOZ-MKJYIAQXSA-N	913.108	2.692	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCCC3)Cc3ccc(F)cc3)n2)cc1OC	903622	VLJDLWFMAMKQEU-UHFFFAOYSA-N	510.570	2.974	0	40	KFAB	
CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)cc2)s1	1769254	NBXMBNZNBOZDPK-HOTGVXAUSA-N	565.699	2.952	0	40	KFAB	
CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1	12551884	MNSMNCFMRHVYDG-UHFFFAOYSA-N	506.433	2.715	0	40	KFAB	
O=C(CN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(S(=O)(=O)NC2CCCC2)cc1)Nc1ccccc1	13496963	AFNFIUOTPXIWFI-NRFANRHFSA-N	521.661	2.716	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(S(=O)(=O)N4CCCCC4)ccc3Cl)CC2)cc1	13676268	IDYHDRUPXJBSFP-UHFFFAOYSA-N	526.080	2.970	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	222510514	HZGBXDWYDYICNH-VWLOTQADSA-N	557.644	2.995	0	40	KFAB	
CNS(=O)(=O)c1ccc(C)c(NC(=O)COc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)c1	222720561	FPFLUYVYCKTHMP-UHFFFAOYSA-N	515.613	2.672	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223678555	USUXFWWQQFAPTE-HXUWFJFHSA-N	517.648	2.866	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)Nc1ccc(OC2CCN(C)CC2)cc1	224367779	PNVHOZCHQMGZCT-UHFFFAOYSA-N	517.648	2.760	0	40	KFAB	
Cc1nc(NS(C)(=O)=O)sc1C(=O)N1C[C@@H](C(=O)NCCc2ccccc2)Oc2ccccc21	225876236	REPMGNJRCKHEBB-IBGZPJMESA-N	500.602	2.590	0	40	KFAB	
COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)CC1	226081599	COVBCJLMQRNRSX-UHFFFAOYSA-N	509.650	2.602	0	40	KFAB	
O=C1NC[C@H]2O[C@H](CCOc3ccccc3C(=O)N3CCN(Cc4cccc(Cl)c4)C[C@@H]13)CC[C@H]2n1cc(CN2CCOCC2)nn1	253394119	AHDBEFXJJZPVJY-AUXUOOQGSA-N	664.207	2.778	0	40	KFAB	
CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N3CCCCC3)cc1)O2	260888444	NYOXTVITWJFMRM-RUZDIDTESA-N	579.741	2.881	0	40	KFAB	
CCOc1c(OC)cccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(C(=O)OC)cc3)c(=O)n21	409010615	CRZIDTOHMMFEBZ-KZVLXBEFSA-N	566.632	2.619	0	40	KFAB	
COc1ccc(CCN2C(=O)[C@@H]3[C@H](Cc4ccccc4)N[C@@]4(C(=O)Nc5ccccc54)[C@H]3C2=O)cc1OC	504152974	FJQUVEKSRKZKKH-HVSOMOSWSA-N	511.578	2.910	0	40	KFAB	biogenic
NC(=O)C1CCN(CC(=O)N2CCOCCOc3ccccc3Oc3ccc(Cl)cc3NC(=O)C2)CC1	643565728	LVOPXKDJWGMAHY-UHFFFAOYSA-N	531.009	2.506	0	40	KFAB	
CC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)c2C(N)=O)C1	3007318	VKWOMDHMZWJYMI-UHFFFAOYSA-N	538.651	2.751	0	40	KFAB	
CCCS(=O)(=O)c1ncc(Cl)c(C(=O)N(Cc2ccc(CC)cc2)[C@H]2CCS(=O)(=O)C2)n1	8868491	LOTOVMZRBRYLCU-KRWDZBQOSA-N	500.042	2.706	0	40	KFAB	
COc1ccc(S(=O)(=O)N(C(=O)c2cccnc2)c2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC	10128683	LYTBVNYUTUXLPG-UHFFFAOYSA-N	508.556	2.932	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cc1C(=O)N1CCCCCC1	13632310	VNRDOLGEKCIGGK-UHFFFAOYSA-N	521.661	2.713	0	40	KFAB	
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3OC)S(C)(=O)=O)cc2)cc1	20060951	STECJUOBGGWLMS-UHFFFAOYSA-N	519.601	2.909	0	40	KFAB	
CCCCN(C(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1OC)c1c(N)n(CCC)c(=O)[nH]c1=O	23078035	YKDBRGQBMQBJTH-UHFFFAOYSA-N	535.667	2.549	0	40	KFAB	
O=C(NC[C@@H]1CCCO1)[C@H](c1ccco1)N(Cc1ccc(F)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	33356879	LAWFSAQGLPPLSE-CPJSRVTESA-N	555.584	2.629	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@H](Oc2cc3oc(=O)c4c(c3cc2Cl)CCCC4)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	72332925	MSFMMJSYVUWAEJ-MNAZRCARSA-N	580.970	2.787	0	40	KFAB	biogenic
NS(=O)(=O)c1ccc(NC(=O)COC(=O)[C@@H](CSCc2ccccc2)NC(=O)c2ccccc2)cc1	98002614	IFSNUELEPFUIEH-JOCHJYFZSA-N	527.624	2.548	0	40	KFAB	
C[C@H](c1nc(N2CCOCC2)c2ccccc2n1)N1CCN(S(=O)(=O)c2ccc(-n3cccn3)cc2)CC1	100036474	LCNWMYQQPYDORW-OAQYLSRUSA-N	533.658	2.720	0	40	KFAB	
CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	223913823	OGJLEHXESSTAOY-INIZCTEOSA-N	554.463	2.887	0	40	KFAB	
CCCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	224015843	JFPPBZYDGPRTCV-HSZRJFAPSA-N	547.674	2.956	0	40	KFAB	
O=C(NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1	226077221	HEVBLMXJDJDVLB-FQEVSTJZSA-N	584.558	2.993	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCC(=O)O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1OC	408831680	OUDBTEIDHFVCJD-XFOXHJFNSA-N	694.500	2.892	0	40	KFAB	
CC(=O)N[C@@H]1[C@H](Sc2nnc(COc3cccc(C)c3)n2-c2ccccc2)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	504461547	RMUTZVWIWLMGGQ-ZHIRGERTSA-N	626.688	2.903	0	40	KFAB	biogenic
COc1cc(CN2CCN(C(C)=O)C[C@](O)(COc3ccc(F)cc3)C2)ccc1OCCCn1cccn1	585280454	NWMXDNJXSASLPZ-NDEPHWFRSA-N	526.609	2.974	0	40	KFAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)c4nn(C)c(C(F)(F)F)c4Br)[C@@H]3SC2)s1	2784626	JEQZXDUZWMVFNC-OTYXRUKQSA-N	599.436	2.506	0	40	KFAB	
CCOC(=O)Cc1csc(N/C=C2/C(=O)N(c3ccc(S(=O)(=O)N4CCOCC4)cc3)C(=O)c3ccccc32)n1	3274509	HWSQBSWUKOBSJE-XQNSMLJCSA-N	582.660	2.910	0	40	KFAB	
CC(C)[C@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@@H]3N(C)C2)O[C@@]2(O)[C@H]3CCCN3C(=O)[C@@H](Cc3ccccc3)N2C1=O	3947495	DEQITUUQPICUMR-NNTHOFKBSA-N	611.743	2.717	0	40	KFAB	
CCCC[C@H](C(=O)NC(C)(C)C)N(C[C@H]1CCCO1)C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1	6481449	HOZYLUCNXHFBGL-WOJBJXKFSA-N	516.643	2.838	0	40	KFAB	
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(Cl)cc3)CC2)N[C@@H]1c1ccc(OC)c(OC)c1	19817806	KOLXNHPLDLPEQV-FGZHOGPDSA-N	500.983	2.886	0	40	KFAB	
CC[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O	20452172	RRIKTZHWBHMCNK-LJQANCHMSA-N	507.569	2.600	0	40	KFAB	
Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)cc1C	59851809	REGJFNLRGCRHBY-UHFFFAOYSA-N	573.693	2.820	0	40	KFAB	
CCCCN1CCN(C(=O)c2cn(CC)nc2S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)CC1	67338411	SJGWSRCSABAGLJ-UHFFFAOYSA-N	516.712	2.589	0	40	KFAB	
COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NCCN2C(=O)S/C(=C\c3ccc(OC)cc3)C2=O)CC1	97980269	IPWPFTSDPWONKX-XLNRJJMWSA-N	587.676	2.735	0	40	KFAB	
C[C@]12CC[C@H]3[C@@H](CCC4=C[C@H](O[C@H]5O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]5O)CC[C@@]43C)[C@@H]1CC[C@H]2c1ccc(=O)oc1	118929828	PXOPSICDLOGGMK-ZGZDIYGHSA-N	530.658	2.871	0	40	KFAB	
Cc1ccccc1CN(C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C	222695040	BDPJPCRMDREJIA-SFHVURJKSA-N	503.621	2.822	0	40	KFAB	
CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O	222874407	IQCHQMOIUSIYSI-NRFANRHFSA-N	505.637	2.802	0	40	KFAB	
COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)C1	226049683	ASGDARLEVVZAHJ-HXUWFJFHSA-N	570.133	2.893	0	40	KFAB	
CCOc1cc([C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)N(CCCC(=O)O)C(=O)[C@H]54)[C@H]23)ccc1O	226178826	ZFUKKOJNNQZJMT-XACQNHDYSA-N	530.624	2.879	0	40	KFAB	
COCCO[C@@H]1[C@@H](O)[C@@H](COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)O[C@@H]1n1ccc(=O)[nH]c1=O	230402815	YVYKKLNOXPCFGC-KWBMWPQYSA-N	604.656	2.852	0	40	KFAB	
COCc1nc([C@@H]2CCCN(C(=O)CN3CCC4(CCCCc5ccccc5OCCNC4=O)CC3)C2)no1	643558410	KWBLOFWUGKIKII-HSZRJFAPSA-N	539.677	2.926	0	40	KFAB	
Cn1nccc1CCC(=O)N1CC[C@@H]2NC(=O)[C@@H](Cc3ccccc3)NC(=O)C3(CC=CC[C@@H]2C1)CCOCC3	2037884910	HUPFOKIGTKQVIU-FXVJXKIMSA-N	547.700	2.560	0	40	KFAB	
CCn1c(CCNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1ccc(N2CCOCC2)cc1	13956124	NIDBIGCIMREKGG-UHFFFAOYSA-N	512.611	2.977	0	40	KFAB	
COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)n1N	16756053	TXCBVADQCWHOBD-UHFFFAOYSA-N	517.618	2.656	0	40	KFAB	
O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	20031711	WAKMTFNMJOOSCN-UHFFFAOYSA-N	523.652	2.717	0	40	KFAB	
O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)NCc1ccc(S(=O)(=O)N2CCCC2)cc1	59851903	DLXAVICNTYRFDO-UHFFFAOYSA-N	555.678	2.918	0	40	KFAB	
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O	70706946	LDWWVEAXQMIFLL-YQMHAVPBSA-N	570.646	2.817	0	40	KFAB	biogenic
O=C(Nc1ccc2c(c1)OCCOCCOCCOCCOCCO2)Nc1ccc2c(c1)OCCOCCOCCOCCO2	97994911	IYXYXGWYBYAWCM-UHFFFAOYSA-N	636.695	2.989	0	40	KFAB	
CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](CC(N)=O)N[C@@]4(C(=O)N(Cc5ccccc5Cl)c5ccccc54)[C@@H]3C2=O)cc1	100089637	ZALQIYJYTUALPI-ZCTJEENXSA-N	572.021	2.694	0	40	KFAB	
CC(=O)O[C@H]1C[C@H]2[C@@H](C)C(=O)[C@]3([C@@H]4C[C@@H]5C(C)(C)CC[C@@H](OC(C)=O)[C@@]5([C@H](OC(C)=O)O4)[C@H]13)[C@@H]2OC(C)=O	100359528	SIUUVHCUNLXSAT-LCZLZAFKSA-N	534.602	2.737	0	40	KFAB	
Cc1ccc(NC(=O)COC(=O)CN2C(=O)c3ccc(C(=O)OCC(=O)Nc4ccc(C)cc4)cc3C2=O)cc1	101089750	WOTXSSPGPHXYFR-UHFFFAOYSA-N	543.532	2.877	0	40	KFAB	
COc1ccc(NS(=O)(=O)c2cc(NC(=O)CN3C(=O)N[C@@]4(CCc5ccccc54)C3=O)ccc2OC)cc1	102994195	UJAPJXHSORGJIR-HHHXNRCGSA-N	550.593	2.837	0	40	KFAB	
COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3nn(C)c(=O)c4ccccc34)ccc2N2CCOCC2)cc1	103012002	FAAYUXYTFUPQHF-UHFFFAOYSA-N	549.609	2.832	0	40	KFAB	
CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1	103048558	ORXMCVREOJKUTJ-UHFFFAOYSA-N	570.759	2.655	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(I)o3)c(=O)n2[C@H]1c1ccccc1	103447061	SRAVRZMAYKZUGW-OTMARIDSSA-N	520.348	2.996	0	40	KFAB	
CCOC(=O)c1oc2cc(OC[C@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)ccc2c(=O)c1-c1cscn1	195528875	PVMPTMQZVPQGRW-AYYYIYHSSA-N	661.638	2.598	0	40	KFAB	
CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	222931997	PHOISPOLLIRCNV-JOCHJYFZSA-N	517.648	2.946	0	40	KFAB	
CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O	223431598	KIPCEXMNDPAJGA-HXUWFJFHSA-N	526.453	2.777	0	40	KFAB	
CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C	224381805	TUZKWRDUGWIJQV-JOCHJYFZSA-N	506.644	2.999	0	40	KFAB	
C[C@@]1(O)COCC2(CCN(C(=O)Cn3c(C(F)(F)F)nc4ccccc43)CC2)C[C@H]1n1cnc2c(N)ncnc21	257328639	XGNLEEKTPQZOGC-HOYKHHGWSA-N	558.565	2.798	0	40	KFAB	
COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1C(=O)N1CCC(C)CC1	408706354	GGTRXKQZTSNHBM-UHFFFAOYSA-N	501.605	2.841	0	40	KFAB	
Cc1ccc(OCCNC(=O)[C@@H]2CC(=O)N[C@H](Cc3ccccc3)C(=O)N(C)CCOc3ccccc3C(=O)N2)c(C)c1	643550967	NRUFTHCIDFBRCG-RRPNLBNLSA-N	586.689	2.565	0	40	KFAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCOc2ccc(C)cc2C)CC(=O)N[C@@H](Cc2ccccc2)C1=O	643578574	ACMBDASEUQUAIG-NSOVKSMOSA-N	600.716	2.956	0	40	KFAB	
O=C1N[C@@H]2CCN(C(=O)CCCc3cn[nH]c3)C[C@@H]2CC=CCC2(CCOCC2)C(=O)N[C@H]1Cc1ccccc1	2037853943	HIPYARXXMDTHNN-VJGNERBWSA-N	547.700	2.940	0	40	KFAB	
CCOC(=O)CN(C(=O)Cn1nnc(-c2ccc(OC)cc2)n1)[C@@H](C(=O)NC(C)(C)C)c1ccc(F)cc1	6546283	ODYQKULJDWZGKF-HSZRJFAPSA-N	526.569	2.536	0	40	KFAB	
COc1ccc(CN2C[C@H](O)C[C@H]2c2nc(CS(=O)(=O)c3ccc(F)cc3)no2)c(OC)c1OC	15673992	NPZSSQIMBIDQLS-AEFFLSMTSA-N	507.540	2.516	0	40	KFAB	biogenic,in-vitro
COc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)C2CCN(C(=O)[C@@H](N)CC(C)C)CC2)cc1	15972617	ABBQZJVLQUVQLN-UIOOFZCWSA-N	508.663	2.651	0	40	KFAB	
CCN(CC(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1)S(=O)(=O)c1ccc(Br)cc1	39985889	KCYQYCQXQYEFFX-UHFFFAOYSA-N	513.366	2.672	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C	44847484	JKAGFVRDGJQIKU-UHFFFAOYSA-N	507.634	2.825	0	40	KFAB	
COc1ccc(OC)c(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1	59607357	XQFXCHROSDKOTB-MUUNZHRXSA-N	585.705	2.767	0	40	KFAB	
O=C1NC(=O)[C@](Cc2cccs2)(CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)C(=O)N1Cc1ccccc1	136956511	RQCUDQDTJPDZIU-GTNJKRJXSA-N	516.623	2.837	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O	222602237	QKHISOLGSWYDOA-CQSZACIVSA-N	500.390	2.518	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223015243	QWHXTTDQIQUALH-MRXNPFEDSA-N	554.463	2.540	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C	223063474	MNRANHQMHMXOCZ-KRWDZBQOSA-N	525.469	2.615	0	40	KFAB	
Cc1cc(C)cc(N([C@@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)c1	224375054	COCXQVGAMOLVMA-NRFANRHFSA-N	537.704	2.828	0	40	KFAB	
COC(=O)CSc1nnc(NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)s1	225287106	MMKNMUCGFGIABH-UHFFFAOYSA-N	518.948	2.880	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	225518447	JEYRVLOZBXSSSD-HSZRJFAPSA-N	505.596	2.607	0	40	KFAB	
CS(=O)(=O)N(CCc1ccccc1)CC(=O)N1C[C@@H](C(=O)NCc2ccccc2)Oc2ccccc21	226040012	RLCQXEBLCIXKKY-VWLOTQADSA-N	507.612	2.601	0	40	KFAB	
O=C1c2c(O)cc(O)cc2O[C@]12c1c(cc(O)c3c1O[C@H](c1ccc(O)cc1)[C@H](O)C3)O[C@]2(O)c1ccc(O)cc1	230018791	PAUVEHXCLNBAPG-AMTYHPSISA-N	558.495	2.960	0	40	KFAB	biogenic,in-vitro
CC(C)c1ncc(C(=O)N2CCO[C@@](COc3cccc(Cl)c3)(CC(=O)N3CCOCC3)C2)cn1	585286844	RJDCHADZMRRDFF-VWLOTQADSA-N	502.999	2.793	0	40	KFAB	
CC(=O)N1CCCN(C)CCN(C(=O)[C@H]2CCN(S(=O)(=O)c3ccc(F)cc3)C2)Cc2ccccc21	618017080	BEKGGFUICMJFDI-QFIPXVFZSA-N	516.639	2.554	0	40	KFAB	
Cc1cc(OCCNC(=O)[C@@H]2CC(=O)N[C@H](CC(C)C)C(=O)N(C)CCOc3ccccc3C(=O)N2)ccc1Cl	643551127	TWVWXPWOIMRWBS-BJKOFHAPSA-N	573.090	2.714	0	40	KFAB	
CN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2C=CCOc2ccccc2CN(C(=O)C(C)(C)C)CC3=O)CC1	958317669	BLCJUIGUKIXQBO-GOTSBHOMSA-N	510.679	2.639	0	40	KFAB	
Cc1ccc2c(c1)OCCCNC(=O)C1(CCCCNC2=O)CCN(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)CC1	2037883961	KWLHLEAJRCCILT-UHFFFAOYSA-N	581.714	2.657	0	40	KFAB	
NC(=O)c1ccc(NC(=O)COC(=O)C[C@@H]2c3ccccc3CCN2S(=O)(=O)c2ccc(F)cc2)cc1	3224861	CQBZFNFSCZOTPN-HSZRJFAPSA-N	525.558	2.785	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCOCC4)o3)c(=O)n2[C@H]1c1ccc(OCC)cc1	8438316	DOVWSTJUAWABGU-VGBYGFDOSA-N	523.611	2.627	0	40	KFAB	
CN1CCC(C(=O)Nc2ccc(N3CCOCC3)cc2)(N(C(=O)CN2C[C@@H](c3ccccc3)NC2=S)C2CC2)CC1	8695945	SEMOPPAVELTVFS-MHZLTWQESA-N	576.767	2.849	0	40	KFAB	
COc1ccc(OC)c(S(=O)(=O)N(C(=O)c2cccnc2)c2c(C)n(C)n(-c3ccccc3)c2=O)c1	10129742	PUJGREORVBBMDQ-UHFFFAOYSA-N	508.556	2.932	0	40	KFAB	
COC(=O)C1=C(C(=O)c2ccc(OC)c(OC)c2)[C@H](c2ccc(Br)cc2)n2nnnc2N1	10232358	AQBYDEZNUPKXIK-SFHVURJKSA-N	500.309	2.778	0	40	KFAB	
CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1	12625689	CFGSOCJHQYYJDU-UHFFFAOYSA-N	519.439	2.978	0	40	KFAB	
Cc1ccc(CN(c2ccc(OCC(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)S(C)(=O)=O)cc1	22231748	QMYLAKCLAQNWHN-UHFFFAOYSA-N	503.602	2.626	0	40	KFAB	
COCCn1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CC=C(c2ccc(F)cc2)CC1	57608913	HNIYWDRQQLDUGX-DEOSSOPVSA-N	504.522	2.908	0	40	KFAB	
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O	70704864	QBUIPQGZMFCACX-ABQRKTDGSA-N	536.629	2.620	0	40	KFAB	biogenic
COc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)C(c2ccccc2)c2ccccc2)C1	138737092	IUYRSZBDBSDIMY-OAQYLSRUSA-N	501.539	2.889	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1ccc(SC)c(NC(=O)C(C)C)c1	223202944	YVTVXXNVSPMMMN-UHFFFAOYSA-N	543.689	2.833	0	40	KFAB	
CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	223609014	MQOLXTNVCJKLTF-FQEVSTJZSA-N	501.605	2.562	0	40	KFAB	
COc1ccc(NS(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)cc1S(=O)(=O)N1CCOCC1	224464021	MGDSPDRKSPTSSA-UHFFFAOYSA-N	608.507	2.928	0	40	KFAB	
CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	224896704	UFZVSPLTMBBBFF-QFIPXVFZSA-N	533.647	2.770	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225074622	ZZEYXGWDNIJHIQ-VQTJNVASSA-N	517.648	2.864	0	40	KFAB	
COC(=O)CCC[C@]12C[C@H]3SC[C@@](NC(=O)c4ccccc4)(C3=O)[C@@]1(O)[C@@H](NC(=O)c1ccccc1)CS2	227056092	JDUSOGAEKZHNNA-KUPNTDJSSA-N	554.690	2.602	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	261006534	SQSZMONWGNNXRR-UXHICEINSA-N	517.648	2.598	0	40	KFAB	
CCc1nc(S/C(=C\c2cc(I)c(OCC(=O)O)c(OC)c2)C(=O)O)n[nH]1	408631451	JGEBDNSLDVLVKT-WDZFZDKYSA-N	505.290	2.662	0	40	KFAB	
COC(=O)c1cc(OC)c(OC)cc1NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2OC)CC1	408713802	YHEPSWWWUUAVAI-UHFFFAOYSA-N	510.540	2.678	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1	409154183	NYMCPGMWCVVASB-HTCWZNLXSA-N	612.104	2.698	0	40	KFAB	
Cc1nn(C)c(C)c1S(=O)(=O)N1CCN2CC(=O)Nc3cc(-c4ccc(F)cc4F)ccc3OC[C@H]2C1	1772594751	RDNUIKFFIQAHRD-LJQANCHMSA-N	531.585	2.688	0	40	KFAB	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl	3297944	WFXBBDOQYFMHAM-UHFFFAOYSA-N	512.968	2.522	0	40	KFAB	
COc1ccc(CCN(C(=O)/C=C/C(=O)O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC	8407802	IJRYMBZKZRNAEN-BBVFFXRHSA-N	531.359	2.810	0	40	KFAB	
CCOc1ccc(NC(=O)N2CCC(NC(=O)[C@H](Cc3ccc(OC)c(OC)c3)NC(C)=O)CC2)cc1	8680720	FIRQNVSWTFLILY-QHCPKHFHSA-N	512.607	2.962	0	40	KFAB	
COc1ccc(CCNC(=O)CSc2ccc3nnc(CCNC(=O)c4ccccc4)n3n2)cc1OC	9578386	BYSNNPSFHABSPA-UHFFFAOYSA-N	520.615	2.565	0	40	KFAB	
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3cccc(Cl)c3)CC2)N[C@@H]1c1ccc(O)c(OCC)c1	10342451	BBZPHLMXFWVHEO-FCHUYYIVSA-N	500.983	2.973	0	40	KFAB	
CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(CCOC)CCOC)cc2)sc2c1CCN(C(=O)OCC)C2	97963557	KUQNTMUXOHLMHX-UHFFFAOYSA-N	597.712	2.975	0	40	KFAB	
O=S(=O)(c1ccc(OC[C@@H](O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1)N1CCOCC1	102939556	COWFRFPPBUNWDX-MHZLTWQESA-N	551.709	2.854	0	40	KFAB	
Cc1ccccc1CN(C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C	222696154	OODBMUWMKGGNMN-IBGZPJMESA-N	517.648	2.864	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	223551309	KVRAWMQPVCGZRP-FQEVSTJZSA-N	506.644	2.815	0	40	KFAB	
Cc1ccc(OCCNC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)cc1C	223773969	FVGKFBCMGMURET-UHFFFAOYSA-N	502.374	2.869	0	40	KFAB	
COc1cc(CN2CCC(N=c3nc[nH]c4sc(C(=O)N5CCCC5)c(C)c34)CC2)ccc1OCC(N)=O	585294986	XKLZFRCNGRRGBS-UHFFFAOYSA-N	538.674	2.607	0	40	KFAB	
CN(CCOc1ccccc1)C(=O)[C@@H]1CCC(=O)N[C@H](Cc2ccccc2)C(=O)N(C)CCOc2ccccc2C(=O)N1	643580633	QJBLKHMPKLDOLE-WUFINQPMSA-N	586.689	2.681	0	40	KFAB	
COc1ccc(C(=O)Nc2nc3c(s2)C[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]3CC(=O)NCCN(C)C)cc1	4222265	YFXBTOQHYOIVBX-JEPPUSMKSA-N	544.718	2.887	0	40	KFAB	biogenic,in-vitro
COc1ccc(Cn2nnnc2CN(CCCN2CCOCC2)Cc2cc3cc(C)ccc3[nH]c2=O)cc1	12717322	XYVKRRQMMSSEOD-UHFFFAOYSA-N	517.634	2.604	0	40	KFAB	
CS(=O)(=O)Nc1c(I)cc(I)c(C(=O)O)c1I	100923297	LNWJDELWWMEJOT-UHFFFAOYSA-N	592.918	2.570	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)CC2)cc1	222577326	IYBLKAVQNFTAEH-UHFFFAOYSA-N	509.650	2.683	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)Nc1ccccc1C(=O)NCC(C)C	223869048	PLSFQWJRTYFSNS-UHFFFAOYSA-N	503.621	2.673	0	40	KFAB	
Cc1cc(Cl)ccc1N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)S(C)(=O)=O	224367458	VPLHCCYYXUICDP-UHFFFAOYSA-N	544.095	2.784	0	40	KFAB	
Cc1ccc(C)c(N([C@@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)c1	224381488	YSEFWJGOZQKLEO-NRFANRHFSA-N	537.704	2.828	0	40	KFAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	409094314	DHVCVSVHTGZIJR-AQIZGWBQSA-N	537.638	2.835	0	40	KFAB	
CCOC(=O)COc1c(Cl)cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1OC	409211939	KURUQLZRXISUGB-RQZCQDPDSA-N	505.886	2.961	0	40	KFAB	
COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2)cc1	7059023	NIYTVQLOSKGHQT-RXVVDRJESA-N	509.588	2.516	0	40	KFAB	
CN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1	12538121	QBTRJRLRMAZRGZ-UHFFFAOYSA-N	521.661	2.913	0	40	KFAB	
COc1ccc(NC(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)cc1S(=O)(=O)N1CCCCC1	12861704	LBAZSBMDNLWUQC-NSYGIPOTSA-N	520.652	2.945	0	40	KFAB	
COc1ccc(CN(C(=O)Cn2nnc(-c3ccc(C)o3)n2)[C@H](C(=O)NC[C@H]2CCCO2)c2ccco2)cc1	17376567	NDOUIQQYMGEAJA-BWKNWUBXSA-N	534.573	2.908	0	40	KFAB	
COc1cccc(CN2CCN([C@@H](c3cc4cc(C)ccc4[nH]c3=O)c3nnnn3C[C@@H]3CCCO3)CC2)c1	19826238	LNFSFGDSHZOBHL-IGKIAQTJSA-N	529.645	2.918	0	40	KFAB	
COCCn1nnnc1[C@@H](c1cc2cc(C)cc(C)c2[nH]c1=O)N1CCN(c2ccccc2OC)CC1	20083108	LICFJABADHQHGG-RUZDIDTESA-N	503.607	2.698	0	40	KFAB	
CCN(CC)C(=O)CN1C(=O)[C@]2(N[C@H](CCSC)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)c2ccccc21	29749032	PJFQYXJEWPMYMV-KMGQHQDOSA-N	534.682	2.623	0	40	KFAB	
COc1c2c(c(C)c3c1C(=O)OC3)O[C@]1(C)C[C@H](O)[C@@]34O[C@@](OC)(C[C@H](OC(C)=O)[C@]3(C)[C@@H]1C2)OC4(C)C	72320099	WDGSJYYXVXQQHP-GUMAKRPGSA-N	532.586	2.955	0	40	KFAB	endogenous,in-man
CCCCN1C(=O)/C(=c2\sc3n(c2=O)[C@H](c2ccc(OC)c(OC)c2)C(C(=O)OC)=C(C)N=3)c2ccccc21	100713544	JPPOXYQELPERPL-QQYUXEJHSA-N	547.633	2.942	0	40	KFAB	
CCOC(=O)C1=C(N)n2c(s/c(=C/c3ccc(Cl)cc3)c2=O)=C(C(=O)OC)[C@@H]1c1ccc(Cl)cc1	100895716	WGGVEIMYEKAPFE-XCMFGDQWSA-N	531.417	2.857	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1	224302686	RVFCJXUSCBAROO-UHFFFAOYSA-N	612.774	2.786	0	40	KFAB	
CS(=O)(=O)Nc1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(Cl)c1	224398575	KZTMOGCNSCASAE-UHFFFAOYSA-N	516.041	2.695	0	40	KFAB	
CC(C)=C[C@@H]1C[C@](C)(O)[C@@H]2[C@@H]3CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@@H]7O)[C@@H]6O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@@]34CO[C@@]2(C4)O1	253590541	ZQOWXUBGLKIVHR-DRADSCLUSA-N	736.940	2.782	0	40	KFAB	biogenic
CCc1ccccc1N(CC(=O)N(Cc1cccc(Br)c1)[C@H](C)C(=O)NC)S(C)(=O)=O	260748969	AXPOJNSDLDXPCR-MRXNPFEDSA-N	510.454	2.941	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)[C@H](C)C(=O)NC(C)(C)C)cc1	260752553	DBAZPSJHYOHVGT-GOSISDBHSA-N	505.637	2.802	0	40	KFAB	
CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(OCC(=O)N5CCOCC5)c(OC)c4)c(=O)n32)cc1	409173203	HNISOTCKKQFVIQ-OINPTKSXSA-N	635.739	2.832	0	40	KFAB	
CC(=O)OCC(=O)N1CCCC[C@@H]1C(=O)N1CCC(c2nc(C)cc(Nc3ncc(C)s3)n2)CC1	585263589	QNFOAQMKTFLGNX-LJQANCHMSA-N	500.625	2.944	0	40	KFAB	
CC(C)[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCN2CCCCC2)CCC(=O)N(Cc2ccccc2)CC(=O)N1	643579364	UVZRONMHSKFTEP-WUFINQPMSA-N	591.753	2.729	0	40	KFAB	
COc1ccc(N2C(=O)NC(=O)[C@@](Cc3ccc4c(c3)OCO4)(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)C2=O)cc1	2139171	NTWGEIYDHYAVDJ-HSNRCERBSA-N	570.602	2.517	0	40	KFAB	biogenic
COCCNC(=O)[C@@H](c1ccc2ncccc2c1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1	6136206	RXLAGWDNGDGTKN-OAQYLSRUSA-N	504.572	2.523	0	40	KFAB	
CCN1CCN(CC(=O)N2N=C(c3ccc(Br)cc3)C[C@H]2c2ccc(F)cc2)C(=O)C1=O	9599705	MKFFSVPFPUVHGQ-FQEVSTJZSA-N	501.356	2.957	0	40	KFAB	
Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(O)cc2)c1	12473917	HWMVWOPGMJSTNB-WIYYLYMNSA-N	509.588	2.522	0	40	KFAB	
CCCCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NCC(=O)Nc1ccc2c(c1)OCCO2	15981123	CPGSOXVJAFCYEO-UHFFFAOYSA-N	504.609	2.741	0	40	KFAB	
O=C1[C@H]2CC=CC[C@H]2C(=O)N1CN1CCN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1	100887549	GMEVTPGGNRVSMU-CALCHBBNSA-N	525.471	2.939	0	40	KFAB	
COc1ccc(CCN2C(=O)NC(=O)[C@@]3(Cc4c(nc5c(C)cccn5c4=O)N4CCCCC[C@@H]43)C2=O)cc1OC	101670317	KRUPUMUBIVHADI-DJUQAAIZSA-N	559.623	2.633	0	40	KFAB	
CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	225061786	NIFFCIGUFGDQQH-FQEVSTJZSA-N	517.648	2.600	0	40	KFAB	
CCOC(=O)[C@H]1[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)OCC)[C@@](O)(C(F)(F)F)N[C@]1(O)C(F)(F)F	248341799	ZVQCIDVGBSULAA-RAZVHJQOSA-N	507.811	2.887	0	40	KFAB	
CC(=O)N1CCC(C(=O)N2CCC(COc3ccc(Cl)cc3)(CC(=O)N3CCOCC3)CC2)CC1	257217408	CYUKUDJRFUXXSL-UHFFFAOYSA-N	506.043	2.835	0	40	KFAB	
COc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc(I)c1OCc1cccc(F)c1	408587787	AFYPTRLBTHZBCR-VIZOYTHASA-N	526.258	2.995	0	40	KFAB	
COC(=O)c1ccc(NC(=O)CCNC(=O)C[C@H](c2ccc(O)c(OC)c2)c2oc(C)cc(=O)c2O)cc1	524730024	RLJLWVXKLAUAII-LJQANCHMSA-N	524.526	2.822	0	40	KFAB	biogenic
COCC(=O)N1CCN(Cc2ccc(OCCn3cc(C)cn3)c(OC)c2)C[C@](O)(COc2ccc(F)c(F)c2)C1	585274818	OOQMXSKDEMWGCY-GDLZYMKVSA-N	574.625	2.658	0	40	KFAB	
Cc1ccc(-c2cc(C(=O)N3CCC4(CCCCOC[C@H](C)NC(=O)[C@H](C)NC4=O)CC3)nn2C)cc1	643564103	IGLAUCBAKNNOLP-SFTDATJTSA-N	509.651	2.828	0	40	KFAB	
COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCCC(C)C)c2ccco2)c(OC)c1	6134294	UNXZVARWOGQSBR-HXUWFJFHSA-N	515.592	2.985	0	40	KFAB	
CC(=O)O[C@H]1[C@@H](O)[C@@]2(C)[C@H]3CC[C@H]4C(C)(C)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@@]23CO[C@@]2(C(C)(C)O)CC[C@](C)(O2)[C@@H]13	8382480	QSNYUAFLCYWOJS-MTKTVNSBSA-N	678.860	2.809	0	40	KFAB	biogenic,in-vitro
O=C1NC(=O)[C@@]2(Cc3c(nc4ccccn4c3=O)N3CCc4ccccc4[C@@H]32)C(=O)N1CCc1ccccc1	9123859	ROBDMYVWVHBFNT-HLADLETHSA-N	519.561	2.662	0	40	KFAB	
CC1CCN(C(=O)Cn2cc(S(=O)(=O)CC(=O)NCc3ccc4c(c3)OCO4)c3ccccc32)CC1	9519889	QONZQRRHLLIJDQ-UHFFFAOYSA-N	511.600	2.719	0	40	KFAB	
CN(C)S(=O)(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)CC1	10328171	VVGOHFGMIVZOEQ-UHFFFAOYSA-N	501.030	2.598	0	40	KFAB	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccc(N3CCCC3=O)cc2)c1	12545823	OUZNDQQRRWMPMO-UHFFFAOYSA-N	500.621	2.933	0	40	KFAB	
O=C(COc1cccc2ccccc12)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1	12625631	DAZBMPJHJWJGRY-UHFFFAOYSA-N	511.600	2.715	0	40	KFAB	
COc1ccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(C4CCCCC4)CC3)c(=O)[nH]c2c1	20080208	SLUWIEWNJCDESY-DHLKQENFSA-N	507.639	2.742	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	223104416	JNVLQWBZEGYBRO-ZWKOTPCHSA-N	523.627	2.941	0	40	KFAB	
COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1	225479074	VAXAIAFOKKPEID-UHFFFAOYSA-N	509.650	2.730	0	40	KFAB	
O=C(Nc1ccc(F)cc1F)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	409026753	XBLKOMBTXJBNRF-QFIPXVFZSA-N	521.567	2.667	0	40	KFAB	
Cc1cc(OC[C@@]2(CC(=O)N3CCN(C)CC3)CN(C(=O)CCn3nnc4ccccc43)CCO2)ccc1Cl	585283289	CZUCWUHNKBFKEU-MUUNZHRXSA-N	555.079	2.624	0	40	KFAB	
CC(=O)N1CCCN(Cc2ccccc2)CCN(C(=O)CNS(C)(=O)=O)Cc2cc(-c3cccnc3)ccc21	643566113	PVLOOAWQOYQPRC-UHFFFAOYSA-N	549.697	2.885	0	40	KFAB	
O=C(c1ccccc1F)N1CCCCC2(CCN(Cc3ccncc3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1	643577567	ATYZLSUYYFXLQU-LOSJGSFVSA-N	513.610	2.784	0	40	KFAB	
COc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)/C=C/c3ccc(OC)c(OC)c3)cc2)ncn1	2366914	NRKXRVNQEOCYCK-VZUCSPMQSA-N	529.600	2.830	0	40	KFAB	
CCOC(=O)c1c(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C(C)C)sc2c1CCCC2	6195099	SUXDXZPDYBSVSL-UHFFFAOYSA-N	519.649	2.862	0	40	KFAB	
CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)C1=O	12940869	RGWNWMGXELRDBC-DEOSSOPVSA-N	502.568	2.796	0	40	KFAB	
CCCCn1c(N)c(N(CCC(C)C)C(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)c(=O)[nH]c1=O	12976806	GSTRKPAFIXVREI-UHFFFAOYSA-N	500.625	2.638	0	40	KFAB	
O=C(CCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)NCCCN1CCN(c2ccccc2F)CC1	20644459	QYZQZAPOUZATIG-UHFFFAOYSA-N	513.595	2.645	0	40	KFAB	
CC(C)c1ccccc1OCC(=O)OCC(=O)NCCNC(=O)COC(=O)COc1ccccc1C(C)C	24750427	CWHKSRVOKBLNKI-UHFFFAOYSA-N	528.602	2.710	0	40	KFAB	
CCOC(=O)C1=C(N)n2c(s/c(=C/c3ccccc3Cl)c2=O)=C(C(=O)OC)[C@@H]1c1ccccc1Cl	97968556	LESYMUNRTNKHTN-XCMFGDQWSA-N	531.417	2.857	0	40	KFAB	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1	103012299	CPHPWONWWDNYRP-NRFANRHFSA-N	577.103	2.688	0	40	KFAB	
CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)cc1	222651800	UYWLMWXQPCZCCM-UHFFFAOYSA-N	509.635	2.930	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223115577	BQUJYOKPHWHVMK-ZWKOTPCHSA-N	521.611	2.695	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	225412505	MGTDZJUGDHJJPK-MSOLQXFVSA-N	501.605	2.562	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCCNS(=O)(=O)c2ccc(C)cc2)cc1Cl	226052372	QFAUGHLNRJWWDE-UHFFFAOYSA-N	580.128	2.985	0	40	KFAB	
C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@]12Cc1c(O)cc3c(c1O2)CN([C@H](CCCNC(=N)N)C(=O)O)C3=O	252668891	FVWRHZWMISXFKU-WGNRBMDFSA-N	542.677	2.971	0	40	KFAB	biogenic,in-vitro
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	261047180	LMKRIEWFGMPFLK-SJORKVTESA-N	507.584	2.652	0	40	KFAB	
COc1ccc(-c2coc3ccc(O[C@@H]4O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]4OC(C)=O)c(OC(C)=O)c3c2=O)cc1OC	585162777	UBKMVBJOKZDNNY-BOPGGASKSA-N	686.619	2.864	0	40	KFAB	
CNC(=O)c1cc(Nc2nnc(-c3ccc(C)c(S(=O)(=O)NCCO)c3)c3ccccc23)ccc1OC	2331636	OKMCOGCBMBOYMD-UHFFFAOYSA-N	521.599	2.988	0	40	KFAB	
C[C@H]1N[C@]2(C(=O)N(CC(=O)N3CCc4ccccc43)c3ccccc32)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12	15320382	MWJXSRGNDPKFQC-KDRGKAGFSA-N	506.562	2.615	0	40	KFAB	
Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(S(=O)(=O)N(C)C)cc3)C2)c(C)c1	20032107	VZMRTPBUJIRHEX-OAQYLSRUSA-N	507.678	2.579	0	40	KFAB	
CCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(Cl)c1	59852151	LLQHOLFFSCFQGF-UHFFFAOYSA-N	544.095	2.898	0	40	KFAB	
COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1	59853096	YAMZIZDQXDOCMW-HSZRJFAPSA-N	531.612	2.970	0	40	KFAB	
CS(=O)(=O)c1ccc([C@H](O)CN(CCc2cccs2)C[C@H](O)c2ccc(S(C)(=O)=O)cc2)cc1	62587345	XJHYTBYURNZUNN-PSWAGMNNSA-N	523.698	2.867	0	40	KFAB	
COc1cc2c(=O)n(Cc3ccc(C(=O)N4CCCC4)cc3)c(=O)n(CC(=O)N3CCC[C@@H](C)C3)c2cc1OC	102524193	WQCRREBNUQPZKN-HXUWFJFHSA-N	548.640	2.723	0	40	KFAB	
O=C(COC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)Nc1ccc(N2CCOCC2)cc1	103090849	IQTUJRGNQUFXHF-UHFFFAOYSA-N	553.593	2.891	0	40	KFAB	
O=C(CN1C(=O)S/C(=C/c2cc(Br)cc(Br)c2O)C1=O)N1CCOCC1	210852970	AQNISSAMLFMDFY-WUXMJOGZSA-N	506.172	2.812	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O	223153719	PUHLXUPFDAMPSK-VWLOTQADSA-N	511.619	2.973	0	40	KFAB	
CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223701845	PAPZZYYKNPBHSN-JOCHJYFZSA-N	531.675	2.988	0	40	KFAB	
CCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O	224538372	VCDKAKFTSKEQLL-QHCPKHFHSA-N	503.621	2.607	0	40	KFAB	
CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	224722690	OXOBZPBXBICADR-MRXNPFEDSA-N	554.463	2.886	0	40	KFAB	
CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	225689927	LJMUTZOZIZUVAL-GOSISDBHSA-N	510.607	2.767	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCc3ccc(S(=O)(=O)N4CCCC4)cc3)C2)cc1Cl	226049473	UWUFNSRJMXWPCI-HXUWFJFHSA-N	570.133	2.893	0	40	KFAB	
O=C(NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1	226096480	UESKRUQQXHAZDV-UHFFFAOYSA-N	584.558	2.993	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OCCn3ccnc3C)c(OC)c2)C[C@](O)(COc2ccc(F)cc2)C1	585274046	UVSVWEYJKHWLOP-GDLZYMKVSA-N	556.635	2.519	0	40	KFAB	
CCOC(=O)Cn1nnnc1[C@@H](C(C)C)N(Cc1cccnc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3	1334426	AERCLNVIRABTSW-RUZDIDTESA-N	533.589	2.643	0	40	KFAB	
CCCCOC(=O)C1=C(N)n2c(s/c(=C\c3ccc(C)cc3)c2=O)=C(C(=O)OC)[C@H]1c1ccc(C)cc1	2212687	HFQFDYSLRCKJEZ-DYEBDLIZSA-N	518.635	2.947	0	40	KFAB	
COc1cc(NC(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)cc(OC)c1	3228941	MFGJKERSHXELAR-UHFFFAOYSA-N	533.386	2.827	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3C)OCO4)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	8437263	GNPVEYHYHSABGQ-QJWUKVPRSA-N	522.579	2.853	0	40	KFAB	
COCCN(C(=O)CCC(=O)Nc1cc(C)on1)[C@H](C(=O)NC(C)(C)C)c1cccc(OC)c1OC	12491614	JIZGTJZHSNEZTK-QFIPXVFZSA-N	504.584	2.850	0	40	KFAB	
C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NCCOC(=O)C34CC5CC(CC(C5)C3)C4)c2)C[C@H](C)O1	12496339	HHKDZMXFHKQKGN-IYODZKESSA-N	504.649	2.974	0	40	KFAB	
Cc1cccc(CN(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1	20030692	QDUIAJQIYFHBAW-UHFFFAOYSA-N	522.048	2.803	0	40	KFAB	
Cc1cccc2cc(CN(CCCN3CCOCC3)Cc3nnnn3Cc3ccc(F)cc3)c(=O)[nH]c12	20109439	PCCWVJYJXRTRPP-UHFFFAOYSA-N	505.598	2.735	0	40	KFAB	
CCCCn1c(N)c(N(CC)C(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)c(=O)[nH]c1=O	23078680	VWNALAMREHCMJX-UHFFFAOYSA-N	513.620	2.719	0	40	KFAB	
COC(=O)c1sccc1NC(=O)C[C@@H](CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)C(=O)O	71279573	ODMQLHYRPADKLS-ZDUSSCGKSA-N	500.499	2.800	0	40	KFAB	
COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)CNC(=O)c2cccs2)c2cccnc2)cc1OC	100414042	AYVNVNUVDIDZCF-NLFFAJNJSA-N	538.626	2.960	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccccn4)c(C)oc3c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	103692374	ARWVTIKJEMLWAI-NHPCEFOQSA-N	583.546	2.625	0	40	KFAB	
Cc1ccc(S(=O)(=O)[C@@H]2NCCN[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@H](S(=O)(=O)c3ccc(C)cc3)NCCN[C@H]2S(=O)(=O)c2ccc(C)cc2)cc1	150464726	VHPGQPPILXWUFK-SKXFTCKDSA-N	789.036	2.792	0	40	KFAB	
COc1ccc(CN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NCCN2CCOCC2)cc1	223227992	RHOMRCIUFLJFIE-HKBQPEDESA-N	622.788	2.545	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	223274782	RYSLWKBFRNWESN-SFHVURJKSA-N	510.607	2.911	0	40	KFAB	
CCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O	225376587	FVXZWHOHDFHSTN-NRFANRHFSA-N	505.637	2.803	0	40	KFAB	
O=S1(=O)NC[C@H](O)CN(Cc2ccccn2)C[C@]2(COc3cc(-c4cccc(C(F)(F)F)c4)ccc31)C[C@H](O)[C@H](O)C2	253406594	UTGMDGDAZIYENK-CDILPITASA-N	607.651	2.803	0	40	KFAB	
CCN1C(=O)/C(=c2\sc3n(c2=O)[C@@H](c2cc(OC)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)c2ccccc21	409143702	HDVHQLBYPTXPHA-MYXKAAJQSA-N	547.633	2.941	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCC)c3OCC(=O)O)c(=O)n2[C@H]1c1ccc(C)cc1	409196346	UAWWEMUCEKEREF-ZBXXMNEPSA-N	536.606	2.969	0	40	KFAB	
COCC(=O)N1CCN(Cc2cccc(OCCn3cc(C)cn3)c2)C[C@@](O)(COc2ccc(F)c(F)c2)C1	585273972	HLJZYQRFTHLEOS-NDEPHWFRSA-N	544.599	2.649	0	40	KFAB	
COc1ccc(CCCNC(=O)[C@@H]2CCC(=O)N[C@H](CC(C)C)C(=O)NCCCOc3ccccc3C(=O)N2)cc1OC	643567725	SPPNGLIKICTKIJ-LOSJGSFVSA-N	596.725	2.761	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3O)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	2314694	YSXSBHQOCLWXQI-LJJBLSSYSA-N	524.595	2.920	0	40	KFAB	
COc1cc(Cl)c(C)cc1NC(=O)COC(=O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@H](C)O	3295101	UIMRCKISAWGKSR-HXPMCKFVSA-N	505.376	2.520	0	40	KFAB	
COc1ccc(CC2(CN3CCc4cc(OC)c(OC)cc4[C@@H]3C)C(=O)N(C)C(=O)N(C)C2=O)c(OC)c1	20112863	LEIMFVQXZBMINP-KRWDZBQOSA-N	525.602	2.920	0	40	KFAB	biogenic
C[C@@H](C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O	20455411	CBOBWLBOBDROLG-AWEZNQCLSA-N	509.997	2.724	0	40	KFAB	
CC[C@H](C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OC)N(c1ccc(C)cc1)S(C)(=O)=O	30754192	MQAPTGVPPMWCLW-OAQYLSRUSA-N	509.650	2.971	0	40	KFAB	
COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2)cc1OC	38145016	XZPIMYRDIIIFGA-MBSDFSHPSA-N	553.641	2.833	0	40	KFAB	
CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1	38152357	HCMFNQRWELKAKP-UHFFFAOYSA-N	536.601	2.687	0	40	KFAB	
COc1ccccc1N1CCN(CC(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1	59780927	HCAIMUGZPNQTMZ-MHZLTWQESA-N	557.651	2.965	0	40	KFAB	
O=S(=O)(c1ccc(NC(=S)N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1)N1CCOCC1	97948534	FSZRDVACUTZDOE-UHFFFAOYSA-N	579.553	2.718	0	40	KFAB	
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@@H](NC(=O)c2cc(-c3ccccc3)nc3ccccc23)[C@@H](OC(C)=O)[C@H]1OC(C)=O	97983232	VVMNWCWAUDNQKP-VABWOUDCSA-N	578.574	2.715	0	40	KFAB	
COc1ccc2cc([C@H](c3nnnn3CCc3ccccc3)N3CCN(C(=O)c4ccco4)CC3)c(=O)[nH]c2c1	100342397	VDKIVKLJPJYZGU-AREMUKBSSA-N	539.596	2.906	0	40	KFAB	
CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(CCOC)CCOC)cc2)sc2cccc(OC)c21	100820335	LKLJRUYJFLQIID-VHXPQNKSSA-N	507.634	2.756	0	40	KFAB	
COc1ccccc1NS(=O)(=O)c1ccc(Cl)c(NC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1	101987570	DCKOXRQGUDVKKD-WJWAULOUSA-N	515.975	2.895	0	40	KFAB	
Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)N1C[C@H](C(=O)NCCc2ccccc2)Oc2ccccc21	222794666	YMQHRNKOJIQCSN-MUUNZHRXSA-N	579.675	2.548	0	40	KFAB	
CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	224692770	WKHULKNCCMCYEN-IBGZPJMESA-N	503.621	2.823	0	40	KFAB	
CC(C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	224723724	ORXADAYQUYCZKD-KRWDZBQOSA-N	568.490	2.928	0	40	KFAB	
CCOc1cc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]2[C@H]2C[C@H]3[C@@H]3C(=O)N(CCCC(=O)O)C(=O)[C@H]23)ccc1O	245319097	ZFUKKOJNNQZJMT-OMMJRIHJSA-N	530.624	2.879	0	40	KFAB	
CCOC(=O)c1ccc(NC(=O)COc2ccc(/C=c3\sc4nc(-c5ccncc5)nn4c3=O)cc2OC)cc1	256055300	BCLCOJAGYRTDGH-HAHDFKILSA-N	557.588	2.964	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3C)OCO4)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	408991898	ZIFRDWPFRUWSBU-YVLHRROSSA-N	506.536	2.564	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccs3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409039937	RNFHFQUIRZDWRH-JPFXZVHCSA-N	542.635	2.810	0	40	KFAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N(C)CCOc2ccc(OC)cc2)CC(=O)N[C@@H](Cc2ccccc2)C1=O	643578679	FQRAUSMUNFMIDF-VMPREFPWSA-N	616.715	2.690	0	40	KFAB	
COCCNC(=O)C[C@@H]1CCN2C[C@@H]1C=CCOc1ccccc1CN(C(=O)c1ccccc1)CC2=O	958317813	PJSLYUXGUAEFLM-ZEQRLZLVSA-N	505.615	2.895	0	40	KFAB	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)OCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)o1	3455999	UJGYKRLHGKKUJB-ACCUITESSA-N	531.569	2.979	0	40	KFAB	
O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1ccccc1	20101051	ZINAETCSVXPFAU-HHHXNRCGSA-N	525.653	2.749	0	40	KFAB	
COc1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c(N(Cc2ccccc2)S(C)(=O)=O)cc1OC	22253573	REKFKSBRRKHGID-UHFFFAOYSA-N	519.601	2.570	0	40	KFAB	
CC[C@@H](C)[C@@H](NC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O	31413940	XOBRUPBUBNAFDI-BTHPGYMESA-N	509.669	2.976	0	40	KFAB	
CCOc1cc(C(C2C(=O)N(C)C(=S)N(C)C2=O)C2C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1O[C@@H](C)CC	100389033	DPFYLHRGPKRCQM-LBPRGKRZSA-N	627.583	2.772	0	40	KFAB	
O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1	224448213	JOCNOAGZRUOPBN-UHFFFAOYSA-N	685.562	2.703	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccc(Cl)cc43)c(=O)n2[C@H]1c1ccc(OC)cc1	409112396	GELDPRVBAZTCEK-LCPUNJGISA-N	509.971	2.783	0	40	KFAB	
COc1cc([C@@H](CC(=O)NCCNC(=O)c2cc3ccccc3[nH]2)c2oc(C)cc(=O)c2O)ccc1O	524730107	WBNICPMNHUYKHI-GOSISDBHSA-N	505.527	2.918	0	40	KFAB	biogenic
COc1cc([C@H](CC(=O)N[C@@H](Cc2ccccc2)c2nc(O)n[nH]2)c2oc(C)cc(=O)c2O)ccc1O	524730226	AEDCBYLKSKHNKP-ROUUACIJSA-N	506.515	2.814	0	40	KFAB	biogenic
O=C1C[C@@H](C(=O)NCCc2ccccc2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCCC2)N1	643576566	RUQASAYKWNUTDE-CONSDPRKSA-N	667.807	2.979	0	40	KFAB	
CCN1C[C@@]2(COC)CC[C@@H](OC)[C@]34[C@H]5C[C@]6(O)[C@@H](OC(=O)c7ccc(OC)cc7)[C@H]5[C@@](OC(C)=O)(C[C@H]6OC)[C@@H]([C@@H](OC)[C@@H]23)[C@@H]14	1529054365	GAZDXIGXYWVWQX-VBFDGQGCSA-N	643.774	2.715	0	40	KFAB	
Nc1c(C(=O)NCCc2ccc(F)cc2)c2nc3ccccc3nc2n1-c1ccc(S(N)(=O)=O)cc1	2279733	WZZVARBPPSFQEA-UHFFFAOYSA-N	504.547	2.915	0	40	KFAB	
COC(=O)[C@]1(CCSC)N[C@H](c2ccc(F)cc2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21	19592402	CITAGPGHBLMFIZ-UWHHFBIGSA-N	500.548	2.712	0	40	KFAB	
Cc1cc2occ(CC(=O)N(C)CC(=O)N(CC(C)C)c3c(N)n(CC(C)C)c(=O)[nH]c3=O)c2cc1C	32971965	SHAOMMCQNALUEQ-UHFFFAOYSA-N	511.623	2.828	0	40	KFAB	
COc1ccc([C@H](CNC(=O)[C@@H](CCSC)NS(=O)(=O)c2ccc(C)cc2)N2CCOCC2)cc1	33026083	OGADJNZGDCMTKC-RPWUZVMVSA-N	521.705	2.593	0	40	KFAB	
CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)[C@H](C)Oc2cccc(Cl)c2)CC1	38139414	FHLPOAYUGKCAEE-IBGZPJMESA-N	537.082	2.909	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O	38755355	WOCVLDCXSMXHLC-OAHLLOKOSA-N	516.041	2.926	0	40	KFAB	
C[C@@H](C(=O)NCc1cccnc1)N(Cc1ccc(F)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O	222861761	ORIJDQAIIIQYJD-FQEVSTJZSA-N	512.607	2.716	0	40	KFAB	
CS(=O)(=O)N(CC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCCN1CCOCC1)c1ccccc1)Cc1ccccc1	223299962	KYCOCMKDRKEBCO-SSEXGKCCSA-N	578.735	2.667	0	40	KFAB	
COc1ccc(CN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)[C@@H](C(=O)NCCCO)c2ccccc2)cc1	223510544	CWQGGPFBDIDYFO-MUUNZHRXSA-N	553.681	2.726	0	40	KFAB	
CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	223610985	AZOOMBOXTMDQGH-OAQYLSRUSA-N	533.647	2.912	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O	224022579	ZZSNAFJAQQJNET-MRXNPFEDSA-N	526.453	2.777	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O	224035336	LRETWFJLMKSSHI-SFHVURJKSA-N	519.620	2.524	0	40	KFAB	
CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	225687873	KKAWSSMOKHBYLQ-GOSISDBHSA-N	510.607	2.767	0	40	KFAB	
CC(C)COC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(Br)cc3)C2)cc1	408657279	OVJZZYCAKIOOPF-GOSISDBHSA-N	560.401	2.937	0	40	KFAB	
CC(=O)OC[C@H]1O[C@@H](n2c(=S)n(-c3ccccc3)c(=O)c3ccccc32)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	5732246	BZILQTWEGVOAIP-UZMBMHPJSA-N	584.603	2.777	0	40	KFAB	
CC(C)(C)NC(=O)[C@H](c1cccs1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCCO2	6075146	GYTCSYYAKOWYSC-SFHVURJKSA-N	515.617	2.960	0	40	KFAB	
COc1cc2cc(CN(C[C@@H]3CCCO3)S(=O)(=O)c3ccc4c(c3)OCCO4)c(=O)[nH]c2cc1OC	6239414	LPCSLKNOSIJTPB-SFHVURJKSA-N	516.572	2.686	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1	8399826	OJZBHAWPEYIBDA-FIWMFUAISA-N	527.046	2.797	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccnc3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1	8407219	VTBOHUPVNGKJPL-JZVSFUAJSA-N	514.401	2.964	0	40	KFAB	
COc1cc([C@@H]2[C@H](C(C)=O)N3N=Cc4ccccc4[C@@H]3C23C(=O)OC(C)(C)OC3=O)ccc1OC(C)=O	8767380	VESUMBFJRABQSF-XPWALMASSA-N	506.511	2.889	0	40	KFAB	
CSCC[C@@H](NC(=O)[C@H](C)NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)O	8790038	FEFNBLCJYQDJLI-PKOBYXMFSA-N	507.653	2.783	0	40	KFAB	biogenic
COc1ccc(/C=C2\SC(=O)N(CCNC(=O)[C@@H](NC(=O)c3ccco3)C(C)C)C2=O)cc1OC	12539644	QOKQNNJXCWEAHA-DTBYZMGXSA-N	501.561	2.904	0	40	KFAB	
CCOC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)Cc3cccc(Br)c3)CC2)CC1	30835497	NCIHNQDYVWIUEG-UHFFFAOYSA-N	501.443	2.793	0	40	KFAB	
COc1ccc(CCN2C(=O)[C@H]3[C@@H](C(=O)Nc4cc(C)on4)[C@]4(C)C=C[C@]3(O4)[C@H]2C(=O)NC(C)(C)C)cc1	33939920	NSDQYXOKVQAGLP-UWEQBAINSA-N	522.602	2.628	0	40	KFAB	
C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	62656892	GQBMPWUNNZTQRN-OAHLLOKOSA-N	510.410	2.554	0	40	KFAB	
Cc1c(Cl)ccc2c1NC(=O)[C@]21N[C@@H](CCC(N)=O)[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]21	101284774	WUSIIDREYASZQL-XITLKHQFSA-N	520.895	2.858	0	40	KFAB	
CC(=O)c1ccc(N2CCN(C(=O)c3cc(S(=O)(=O)N4CCN(c5ccc(C(C)=O)cc5)CC4)c[nH]3)CC2)cc1	102849952	CBCJDCKCKVGPDG-UHFFFAOYSA-N	563.680	2.893	0	40	KFAB	
Cn1cc(C(=O)N2CCN(c3ccccc3F)CC2)c(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)n1	102920908	QDIXJKQIPFVIGQ-UHFFFAOYSA-N	547.056	2.686	0	40	KFAB	
COCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1	222811761	CLTLCVYBIVAMJF-SFHVURJKSA-N	522.067	2.893	0	40	KFAB	
Cc1ccc(S(=O)(=O)NCCNC(=O)CCc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1	222861320	CBCHHKOUWBYAHB-UHFFFAOYSA-N	529.684	2.543	0	40	KFAB	
CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O	222996586	ZRUVVEWSXBTHKQ-NRFANRHFSA-N	503.621	2.823	0	40	KFAB	
COC(=O)[C@]1(Cc2ccc(O)cc2)N[C@H](c2cccs2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21	245230498	SWAGACNLJXQZTJ-OJXRJRMYSA-N	520.563	2.830	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCC2)c1	260747465	AHXNPFHOODKVSW-GOSISDBHSA-N	531.631	2.666	0	40	KFAB	
COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Br)cc1	408592325	LDBPDDHBSYMLAR-LLVKDONJSA-N	501.355	2.558	0	40	KFAB	
COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1C(=O)N1CCOCC1	408693095	GVRUXXMYPLKMEV-UHFFFAOYSA-N	531.612	2.769	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3O)c(=O)n2[C@H]1c1cccc(OC)c1OCC	408906999	KXGDBZSCQINROY-FGGAIWKESA-N	524.595	2.920	0	40	KFAB	
CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cc(OC)c(OC)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1OC	408987339	WNRZZOPKTACAEI-NRBGUCFGSA-N	626.684	2.775	0	40	KFAB	
O=C(CCn1c(SCC(=O)NCc2ccco2)nc2cc3c(cc2c1=O)OCO3)NCc1ccc2c(c1)OCO2	2975583	PLGMARBSTUAVFI-UHFFFAOYSA-N	564.576	2.562	0	40	KFAB	
COCN(COC)c1nc(CCC(Br)(Br)Br)nc(N(COC)COC)n1	5573723	HCGKARWRRXDVPW-UHFFFAOYSA-N	566.089	2.671	0	40	KFAB	
CS(=O)(=O)Nc1nnc(SCC(=O)Nc2ncc(Br)cc2Br)s1	8857458	RWINEFATGUQHJO-UHFFFAOYSA-N	503.223	2.560	0	40	KFAB	
COCCN(CC(=O)Nc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1	13496946	NJCUZQGHAIPMDM-UHFFFAOYSA-N	509.650	2.527	0	40	KFAB	
CCOc1nc2sc3c(c2c(=O)n1CCN1CCN(S(=O)(=O)c2ccccc2)CC1)CCCC3	28558417	OZEUHDJZCCUZCE-UHFFFAOYSA-N	502.662	2.742	0	40	KFAB	
Cc1ccc(C)c(N2CCN(S(=O)(=O)c3nn(C)cc3C(=O)N3CCN(c4ccccc4)CC3)CC2)c1	67337439	JCVNREKGYOIQPY-UHFFFAOYSA-N	522.675	2.510	0	40	KFAB	
COCCNC(=O)[C@H](c1ccco1)N(C(=O)CNS(=O)(=O)c1ccc(C)cc1)c1cnc2ccccc2c1	100410296	QNJFWRLALHVBNH-SANMLTNESA-N	536.610	2.952	0	40	KFAB	
CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1	103049717	YVSLESAFUMHUEO-UHFFFAOYSA-N	564.730	2.899	0	40	KFAB	
CCc1c(O[C@@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)ccc(C(=O)Cc2ccc3c(c2)OCO3)c1O	103692732	VBEJBERDNOPXME-RZTGVRROSA-N	630.599	2.571	0	40	KFAB	
CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1ccc(I)cc1	139714797	IUJGZYKRDBJGLT-UHFFFAOYSA-N	586.433	2.892	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O	222700504	ZYAWUYXBSJFHCD-CQSZACIVSA-N	502.420	2.931	0	40	KFAB	
CCOCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(C)S(C)(=O)=O	223116853	FLQYQZCRAACKGA-QHCPKHFHSA-N	524.083	2.714	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	224986785	BQPMTSKKZYWRAE-RTBURBONSA-N	505.637	2.802	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	225368620	GISSQSFXBFZFET-RTBURBONSA-N	522.643	2.779	0	40	KFAB	
COc1ccc(NC(C)=O)cc1S(=O)(=O)N(Cc1ccccc1)[C@@H]1CS(=O)(=O)C[C@@H]1NCc1ccccc1	575425919	JBEOTTKQXHMHFT-LOSJGSFVSA-N	557.694	2.800	0	40	KFAB	
COCC(=O)N1CCN(C[C@]2(O)CC[C@@H](c3ccccc3)CC2)C[C@@](O)(COc2cc(F)cc(F)c2)C1	585287234	LGBQLYUGRYWQIG-ZGOJTZKKSA-N	518.601	2.954	0	40	KFAB	
O=C(Cn1cccnc1=O)N1CCC2(CCCCOC[C@@H]3CCCN3C(=O)c3ccccc3OC2)CC1	643564026	WXSCATOZRKRUIW-QFIPXVFZSA-N	508.619	2.736	0	40	KFAB	
COc1ccc(OCCNC(=O)[C@@H]2CCC(=O)NC3(CC3)C(=O)N(C)[C@@H](Cc3ccccc3)COc3ccccc3C(=O)N2)cc1	643570189	PZWRIGOYQCVYBB-SVEHJYQDSA-N	628.726	2.880	0	40	KFAB	
Cc1cc(CCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)nc(C2CCNCC2)n1	2037879809	QYRCUEMOVQYKPB-ZEQRLZLVSA-N	509.651	2.528	0	40	KFAB	
CCCCN(C(=O)CSc1nnc(-c2ccccc2)n1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	3378667	COGGSZZBVIEMGD-UHFFFAOYSA-N	519.631	2.888	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)OCO4)c(=O)n2[C@H]1c1ccc(OC)cc1OC	8425165	QOILFRKAJBWDCB-KIHONOKQSA-N	508.552	2.544	0	40	KFAB	
Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(O)cc2)cc1	12473943	YLMZOTNBRWDHLM-NQIIRXRSSA-N	509.588	2.522	0	40	KFAB	
COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)c1	38144968	IASZNDLFCYJBJD-WIYYLYMNSA-N	527.578	2.655	0	40	KFAB	
NC(=O)c1nsc(C(=O)N(Cc2ccccc2Cl)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(O)cc2)c1N	38145034	ZDUMZIRLKIBJGQ-DYESRHJHSA-N	544.033	2.862	0	40	KFAB	
CCCOc1ccc(N2C(=O)C[C@@H](N3CCN([C@@H]4CC(=O)N(c5ccc(OCCC)cc5)C4=O)CC3)C2=O)cc1	100531629	JIYYMYJDVOTERW-CLJLJLNGSA-N	548.640	2.846	0	40	KFAB	
O=S(=O)(c1ccc(OC[C@@H](O)CN2CCN(c3ccccc3Cl)CC2)c(Cl)c1)N1CCOCC1	102933935	PBMWUKNHVHKXFK-SFHVURJKSA-N	530.474	2.576	0	40	KFAB	
CCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O	224576983	SBBIJXXWYFLWGZ-QHCPKHFHSA-N	503.621	2.607	0	40	KFAB	
CCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O	224586881	DKPWSRNMHMEABJ-OAQYLSRUSA-N	501.605	2.563	0	40	KFAB	
CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	225706772	SAZZXDDJKJQFBL-NRFANRHFSA-N	505.637	2.802	0	40	KFAB	
CCCCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3)C2)cc1	408657945	QFCRGSAOJAXNQI-SFHVURJKSA-N	515.950	2.972	0	40	KFAB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cccc(OC)c4OC)c(=O)n32)cc1OCC	408934829	DGPHKFDEBLHROG-CLMUKVTESA-N	524.595	2.833	0	40	KFAB	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(=O)OC)cc3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC	408947567	QLGSUYMFJJNPLB-RZXXJPOTSA-N	512.971	2.857	0	40	KFAB	
O=C(NCc1ccco1)c1ccccc1NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	409135877	WFOYIIKKUDLWPZ-MHZLTWQESA-N	608.698	2.912	0	40	KFAB	
COc1ccc(CN2CC[C@H](O)[C@@](O)(COc3cc(C)ccc3Cl)C2)cc1OCCn1cnnc1	585281063	DSBAVUKOJQJMEX-DQEYMECFSA-N	502.999	2.704	0	40	KFAB	
COCC(=O)N1CCN(CC2(O)CCN(c3ccccc3C)CC2)C[C@@](O)(COc2ccc(C)c(C)c2)C1	585281999	FBXBPDCHDRVLSP-PMERELPUSA-N	525.690	2.544	0	40	KFAB	
COc1ccc(CCCNC(=O)[C@@H]2CCC(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1OC	643569253	QGRNGANPSREYCR-NSOVKSMOSA-N	630.742	2.910	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1OC	708131	KZXLORUJJKHBRI-MFUBYVTQSA-N	524.595	2.920	0	40	KFAB	
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)n1	2663409	ZOHMYWVSDKYBBM-UHFFFAOYSA-N	515.617	2.931	0	40	KFAB	
COc1cc(Cl)c(C)cc1NC(=O)COC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@H](C)O	3295103	UIMRCKISAWGKSR-BUXKBTBVSA-N	505.376	2.520	0	40	KFAB	
CC(C)CCNC(=O)[C@@H](CC(C)C)N(Cc1ccc2c(c1)OCO2)C(=O)c1snc(C(N)=O)c1N	6134080	VBAQZWPZUAQLFX-MRXNPFEDSA-N	503.625	2.772	0	40	KFAB	
COCCNC(=O)[C@@H](c1ccc2ncccc2c1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1OC	6136208	UILREMBJGHLTDD-JOCHJYFZSA-N	534.598	2.532	0	40	KFAB	
NC(=O)c1nsc(C(=O)N(c2cccc(F)c2)[C@H](C(=O)NC[C@@H]2CCCO2)c2cccs2)c1N	12711332	SNYVAZDXJKRLLQ-KSSFIOAISA-N	503.581	2.708	0	40	KFAB	
Nn1c(COc2ccc(F)cc2)nnc1SCC(=O)Nc1cc2c(cc1Br)OCCO2	15623719	CRLBPZFVKVQGDY-UHFFFAOYSA-N	510.345	2.975	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3ccc(C(=O)c4ccccc4)cc3)CC2)cc1	16050348	GLKAULPWFDBKAE-UHFFFAOYSA-N	506.580	2.916	0	40	KFAB	
CSc1nc(N2CCN(CCO)CC2)c2sc3nc(N4CCOCC4)c4c(c3c2n1)CC(C)(C)OC4	20358402	QRUWNBOTCXJTPZ-UHFFFAOYSA-N	530.720	2.764	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCN(S(=O)(=O)Cc4ccc(Cl)cc4)CC3)CC2)cc1	60060386	WQHZEWBCNVWTKY-UHFFFAOYSA-N	540.107	2.723	0	40	KFAB	
COc1ccc(N2C(=O)[C@H]3[C@H](C)N[C@]4(C(=O)N(CC(=O)N5CCc6ccccc65)c5ccccc54)[C@@H]3C2=O)cc1	98006377	NUTRBPOVFCDQAB-LETPREFUSA-N	536.588	2.624	0	40	KFAB	
Cc1ccc(C)c(-n2c(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nnc2SCC(=O)Nc2nnc(C)s2)c1	100840309	JFCRKLRGQMPAPK-UHFFFAOYSA-N	600.752	2.955	0	40	KFAB	
COc1ccc(CCN2C(=O)NC(=O)[C@]3(Cc4c(nc5c(C)cccn5c4=O)N4CCCCC[C@@H]43)C2=O)cc1OC	101670312	KRUPUMUBIVHADI-WVXBCFDCSA-N	559.623	2.633	0	40	KFAB	
CC(C)CN(C(=O)CN(C)C(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	104950075	SMUYGGTUVAPBTP-LEVZQSSMSA-N	522.090	2.800	0	40	KFAB	
CCOCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O	222862273	KPGXBUXURXHSSO-FQEVSTJZSA-N	507.628	2.547	0	40	KFAB	
COCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O	223154737	KWDIEFFNXMYSSA-HHHXNRCGSA-N	555.672	2.990	0	40	KFAB	
C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O	223525207	QIBVXXDZRDADKK-HNNXBMFYSA-N	501.577	2.933	0	40	KFAB	
CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225151743	NHHJTPHGUYPGRZ-QFIPXVFZSA-N	517.648	2.866	0	40	KFAB	
O=C1c2c(O)cc(O)cc2O[C@]12c1c(cc(O)c3c1O[C@H](c1ccc(O)cc1)[C@@H](O)C3)O[C@]2(O)c1ccc(O)cc1	230018799	PAUVEHXCLNBAPG-HFFMWGPHSA-N	558.495	2.960	0	40	KFAB	biogenic,in-vitro
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	260983012	OIVDQQFCECPKPW-MOPGFXCFSA-N	522.643	2.779	0	40	KFAB	
COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)C(c3ccccc3)c3ccccc3)C2)c(OC)c1	408651841	FIQHKPJSTDYJLX-NRFANRHFSA-N	531.565	2.897	0	40	KFAB	
Cc1cccc(CS(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)c1	408679767	LBOHJRCLFQFMCT-UHFFFAOYSA-N	505.662	2.960	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccncc3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br	408767244	FDHURJQEKJJQMD-BYHQVZLYSA-N	544.427	2.973	0	40	KFAB	
CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1	408939637	TVEUXTSMFHXMAX-ZSJKCPIUSA-N	566.632	2.757	0	40	KFAB	
O=C1NC[C@H]2O[C@H](CCOc3cc(-c4ccccc4)ccc3C(=O)N3CCN(Cc4ccncc4)C[C@@H]13)CC[C@@H]2O	514287406	XSXWYXAOTZEHHT-UTDCNRKPSA-N	556.663	2.882	0	40	KFAB	
CN(C)C(=O)Cn1cc(C(=O)N2CCC3(CCCCc4ccccc4OC[C@@H]4CCCN4C3=O)CC2)ccc1=O	643557699	ULROVJZESGQXOM-VWLOTQADSA-N	548.684	2.955	0	40	KFAB	
CCN1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N[C@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)COc2ccccc2C(=O)N1	643584556	QFBKTBSMVJEUFV-NLJWQWLVSA-N	571.763	2.572	0	40	KFAB	
CCCNC(=O)[C@@H]1CCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N(C)CCCCCCOc2ccccc2C(=O)N1	1615159689	OENVIQSWSWZZBG-UIOOFZCWSA-N	566.699	2.936	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)cc3OC)c(=O)n2[C@@H]1c1cccs1	634479	IAZLRWOKJOUXIZ-XQJRBFNUSA-N	500.598	2.886	0	40	KFAB	
COCCNC(=O)[C@H](c1ccc2ncccc2c1)N(Cc1ccc(F)cc1)C(=O)c1snc(C(N)=O)c1N	6136213	FFSJZRQKKPPSRW-QFIPXVFZSA-N	536.589	2.658	0	40	KFAB	
CCOCCCNC(=O)[C@@H](c1ccc(Cl)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)CNC(C)=O	9720351	PJWCRDQQMFOPJT-XMMPIXPASA-N	503.983	2.818	0	40	KFAB	
CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N(C)C)C1=O	12526699	PMEVESDGNTWYSR-SANMLTNESA-N	527.647	2.723	0	40	KFAB	
Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc(OCC(N)=O)cc1)N(CCCN1CCOCC1)C3=O	16750640	QOERZABKWYBEFO-VWLOTQADSA-N	505.571	2.541	0	40	KFAB	
O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1	20454787	POHHNYNEKHYDTR-UHFFFAOYSA-N	515.617	2.845	0	40	KFAB	
O=C(COC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1)Nc1ccccc1O	32925313	LNDZTRACLDBZMW-UHFFFAOYSA-N	513.547	2.838	0	40	KFAB	
CCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NCc3ccc(OC)cc3)c2=O)cc1	35377796	NJZRBOQYPRBDBC-UHFFFAOYSA-N	514.582	2.546	0	40	KFAB	
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc1NC(=O)c1cccc(N)c1	82186151	FWPDBHFZCRXISJ-UHFFFAOYSA-N	635.654	2.975	0	40	KFAB	
COC(=O)[C@@]1(c2ccccc2)N[C@@H](c2ccc(OC)cc2OC)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21	100422171	VCVXVWDIPVACJE-MGLAESSXSA-N	544.560	2.994	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(Br)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	100534125	DGJGCLHPJVCYEN-WQLLJXGDSA-N	543.395	2.995	0	40	KFAB	
COc1ccc(N2C(=O)C[C@H](N(CCc3ccc(S(N)(=O)=O)cc3)C(=S)Nc3ccccc3)C2=O)cc1	100722140	ZUWMFEDVDMNBBR-QHCPKHFHSA-N	538.651	2.916	0	40	KFAB	
O=C1c2cc(S(=O)(=O)NCc3cccnc3)ccc2-c2ccc(S(=O)(=O)NCc3cccnc3)cc21	102415332	AQLYABWIFVSSLY-UHFFFAOYSA-N	520.592	2.645	0	40	KFAB	
C[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2	105859986	XFGKYYOQMIJYBA-URNNUDQISA-N	532.446	2.998	0	40	KFAB	
CN1C[C@]2(Cc3ccccc3)c3ccccc3N[C@]2(NC(=O)C(=O)N[C@]23Nc4ccccc4[C@@]2(Cc2ccccc2)CN(C)C3=O)C1=O	150384302	CUPHGIBQOXLNCO-RNATXAOGSA-N	640.744	2.768	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	222711014	GRSAEBMVSKPLPP-CYBMUJFWSA-N	516.403	2.651	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	224869941	ZAAIATCTZGEDCD-GOSISDBHSA-N	521.611	2.697	0	40	KFAB	
CO[C@H]1[C@@H](O)[C@H](C)O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@H]4[C@H]3CC[C@]3(C)[C@H](C5=CC(=O)OC5)[C@H](OC(C)=O)C[C@]43O)C2)[C@@H]1O	257347135	UZQOZJNEDXAJEZ-KZFWODLWSA-N	592.726	2.652	0	40	KFAB	
COc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	408596508	ZTURQYYRBXOWRQ-FRKPEAEDSA-N	518.320	2.761	0	40	KFAB	
O=C([C@H](CCCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)N1CCCCCC1	408684589	PEVFDMPWWJFREK-IVKVWBQSSA-N	519.642	2.542	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3/C(=O)N(C(C)C)c4ccccc43)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1	409143617	HQVZJCZHGBZNQE-JRFDGAOCSA-N	577.659	2.949	0	40	KFAB	
CCc1nccn1CCOc1ccc(CN2CCN(C(=O)COC)C[C@@](O)(COc3ccc(F)cc3)C2)cc1OC	585271510	IENWTOSRGHBITG-SSEXGKCCSA-N	570.662	2.773	0	40	KFAB	
CC(=O)N1CCCN(C)CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)Cc2ccccc21	643554232	NRRJMHHJOCPNHV-VWLOTQADSA-N	516.639	2.696	0	40	KFAB	
COc1cc2c(cc1OC)CN(C(=O)CN1CCN(CCN3C(=O)c4cccc5cccc(c45)C3=O)CC1)CC2	1889205625	HTALSEVMBFSGDE-UHFFFAOYSA-N	542.636	2.656	0	40	KFAB	
CCOC(=O)CNc1cnn([C@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)c(=O)n1	8398287	OXYJAFBKBDZTEF-LQBCTSRJSA-N	642.621	2.819	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)C2)cc1	8431384	NYIIAKAHUDQFAG-GOSISDBHSA-N	515.617	2.625	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(O)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	8438636	HAPOCIMZOKOCEB-RWTNITNYSA-N	524.595	2.920	0	40	KFAB	
CCOC(=O)[C@](NC(=O)c1ccco1)(Nc1ccc(S(=O)(=O)Nc2cc(OC)nc(OC)n2)cc1)C(F)(F)F	33353740	KEHMXWYHCSUOJI-OAQYLSRUSA-N	573.506	2.551	0	40	KFAB	
CCOC(=O)c1ccc(NC(=O)CSc2nc(N)c(NC(=O)c3ccc(Br)o3)c(=O)[nH]2)cc1	38139072	NZIKYKQQKDLEOC-UHFFFAOYSA-N	536.364	2.867	0	40	KFAB	
O=C(COC(=O)CCS(=O)(=O)c1ccccc1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl	38140327	FAXJQJXEOQJXHF-UHFFFAOYSA-N	529.036	2.860	0	40	KFAB	
Cn1nc(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Oc2ccccc2)c2ccccc2c1=O	102906947	RHPNBPYHXISSFI-UHFFFAOYSA-N	534.594	2.928	0	40	KFAB	
CCOc1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)N4CCN(S(=O)(=O)c5ccc(C)cc5)CC4)cc3C2=O)cc1	103137707	LPBDWZPVCRAFIS-UHFFFAOYSA-N	591.642	2.884	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(=O)c(-c4ccccn4)c(C)oc3c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	103692377	ARWVTIKJEMLWAI-BIFPFWOLSA-N	583.546	2.625	0	40	KFAB	
COC(=O)CSc1nnc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)c3cc(C)ccc3O2)s1	223209098	VMUVTZGOXAPUIU-KRWDZBQOSA-N	520.614	2.707	0	40	KFAB	
CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	223610922	AZOOMBOXTMDQGH-NRFANRHFSA-N	533.647	2.912	0	40	KFAB	
CSc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(CN4CCOCC4)cc3)CC2)cc1	224575809	ZFXMMNMABUUJDQ-UHFFFAOYSA-N	503.690	2.958	0	40	KFAB	
CCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O	224580067	KHAJMWFYNQTNOW-JOCHJYFZSA-N	533.647	2.914	0	40	KFAB	
CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	225566014	RYKKIYNMAVBWDP-MRXNPFEDSA-N	510.012	2.777	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	225631282	ZUBVBJJJBTUYIA-JOCHJYFZSA-N	526.014	2.871	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2cc(S(=O)(=O)NC)ccc2C)cc1Cl	226067866	HJXZSIYZQKIAEC-UHFFFAOYSA-N	504.030	2.605	0	40	KFAB	
COC(=O)[C@]1(c2ccccc2)N[C@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21	245230754	YFEFDAGKSLPAEF-FLSMRUOLSA-N	500.507	2.682	0	40	KFAB	
CC(C)N1CCN2C(=O)c3ccc(-c4ccccc4)cc3OCC[C@@H]3CC[C@H](O)[C@@H](CNC(=O)[C@@H]2C1)O3	253398061	GLEXDRLYWJSUJN-WVAUJHLCSA-N	507.631	2.696	0	40	KFAB	
CCCCCC(=O)N1CC(=O)N2CC[C@@H](CC(=O)N3CCN(C=O)CC3)[C@@H](/C=C\COc3ccccc3C1)C2	253406483	UNNVXPIKNNFJLJ-DBFYEMIUSA-N	538.689	2.700	0	40	KFAB	
CCOc1ccccc1N(CC(=O)N(Cc1cccc(OC)c1)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O	260710537	CTPKJGVILCQAIN-LJQANCHMSA-N	505.637	2.802	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/[C@H]3C(=O)N(c4ccccc4)N=C3C)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	409018596	NEEBFXBNLFFQNZ-RKFWSAHQSA-N	560.632	2.806	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)c(=O)n2[C@@H]1c1ccc(SC)cc1	409163543	TVNPQHRNJMVJEX-QEYQTOMISA-N	593.727	2.758	0	40	KFAB	
Cc1ncccc1C(=O)N1CCCCC2(CCN(Cc3ccccc3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1	643579102	TUUMNYNTMDTXSV-IZZNHLLZSA-N	509.647	2.954	0	40	KFAB	
CCC(=O)Nc1cccc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)c1	930466	PRBVILNATXWHGW-UHFFFAOYSA-N	506.588	2.561	0	40	KFAB	
CCOC(=O)CC[C@H](N[P@](=O)(OC)[C@@H](C)NC(=O)CCCCN1C(=O)c2ccccc2C1=O)C(=O)OCC	4293613	QLPMYTASQFPPNX-PSRMAAFYSA-N	553.549	2.619	0	40	KFAB	biogenic
COc1ccc([C@H](C(=O)NCc2ccccc2)N(Cc2cccnc2)C(=O)c2snc(C(N)=O)c2N)cc1OC	6162734	NHECBFJVSXKNOG-XMMPIXPASA-N	560.636	2.937	0	40	KFAB	
COc1cccc(C[C@H](NC(C)=O)C(=O)NC2CCN(c3c(Cc4ccccc4)c(C)nc4ncnn34)CC2)c1	8690195	KBYXWUAKOCADOK-MHZLTWQESA-N	541.656	2.865	0	40	KFAB	
O=C(Cn1c(=O)n(Cc2nc(-c3ccccc3)no2)c(=O)c2cc3c(cc21)OCO3)Nc1ccccc1F	9274731	NPPCLQDPSRSFLG-UHFFFAOYSA-N	515.457	2.768	0	40	KFAB	
COc1ccc2cc([C@H](c3nnnn3C3CCCC3)N3CCN(C(=O)c4ccco4)CC3)c(=O)[nH]c2c1	20080193	QLFIAKJAZPGLKV-HSZRJFAPSA-N	503.563	2.779	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CCN(C)CC2)c2cccc(Br)c2)cc1	22935109	LCJCUFSRDGCNFR-UHFFFAOYSA-N	523.497	2.707	0	40	KFAB	
COc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)S(C)(=O)=O)cc1	44849001	IBUURRWOJDQOAS-MRXNPFEDSA-N	504.590	2.684	0	40	KFAB	
O=C(NCc1ccc(Cn2cc(Cl)cn2)cc1)c1nc(Cn2cc(I)cn2)no1	98009065	QGAPHSUKPYLDSJ-UHFFFAOYSA-N	523.722	2.747	0	40	KFAB	
COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)c2)cc1	103021573	ZKABFPTYLFNRSP-UHFFFAOYSA-N	529.640	2.667	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccccc1OC)S(C)(=O)=O	222517496	HXTONRAQONFFQS-DEOSSOPVSA-N	527.618	2.986	0	40	KFAB	
C[C@H](C(=O)NC[C@@H]1CCCO1)N(Cc1ccc(Cl)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O	222784248	NTQKBFOADCTUPW-XXBNENTESA-N	522.067	2.814	0	40	KFAB	
CC(C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	224631103	NBOCVWUXBWGSBD-KRWDZBQOSA-N	524.039	2.819	0	40	KFAB	
COc1ccc(NC(=O)c2cccc(I)c2)cc1S(=O)(=O)N1CCOCC1	224963555	UNLSIHFUFURTNU-UHFFFAOYSA-N	502.330	2.573	0	40	KFAB	
C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NCCNC(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)cc1	248057779	CGDORPCOIVWEIT-FGZHOGPDSA-N	590.768	2.973	0	40	KFAB	
COc1ccc(C(=O)N2[C@H](CC(=O)N3CCN(Cc4ccccc4)CC3)C(=O)N[C@H]3CCCC[C@H]32)cc1	250567665	CNSVAGWINDSHCL-JIMJEQGWSA-N	504.631	2.682	0	40	KFAB	
CC(C)NC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4ccsc4)C[C@H]3C(=O)NC[C@H]1O2	253401735	NLNWYBFKAILUPK-GEMTWJNPSA-N	569.728	2.597	0	40	KFAB	
COc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)c(OC)c1	260774500	XMYDIAFVLHLUQC-LJQANCHMSA-N	505.637	2.720	0	40	KFAB	
CCOc1cc(C(c2c(O)n(C)c(=S)n(C)c2=O)c2c(O)n(C)c(=S)n(C)c2=O)cc(Cl)c1OC	409105368	IUPHLLCJCIQMFN-UHFFFAOYSA-N	541.051	2.872	0	40	KFAB	
CCOC(=O)COc1c(I)cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)cc1OC	409106518	NUJVWLDZERSQAT-CEITULEQSA-N	549.339	2.840	0	40	KFAB	
CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)ccc1OCC(=O)N1CCOCC1	409197527	HWVGAMYGOIARHE-XHPQRKPJSA-N	594.690	2.708	0	40	KFAB	
COc1cc2c(cc1OC)CN(C(=O)CCCN1C(=O)[C@H]3Cc4cc(OC)c(OC)cc4CN3C1=O)CC2	1565520567	WPNQTGKGULRZRP-OAQYLSRUSA-N	523.586	2.775	0	40	KFAB	biogenic
CCCCOC(=O)[C@H](C)OC(=O)[C@H](C)OC(=O)CCCCC(=O)O[C@H](C)C(=O)O[C@H](C)C(=O)OCCCC	4896099	VSCKCJFDUFVCNU-FGYAAKKASA-N	546.610	2.960	0	40	KFAB	
COc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(O)c2)cc1OC	6074836	RZKNTTBMDPUXIK-FQEVSTJZSA-N	527.603	2.850	0	40	KFAB	
NC(=O)c1ccc(-n2nc(C(=O)N3CCOCC3)/c(=N/C(=O)c3nnn(-c4ccc(F)cc4)c3-c3ccccc3)s2)cc1	8770580	FDFQKWMKAZJVLD-BLCKFSMSSA-N	598.620	2.633	0	40	KFAB	
COc1ccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(c3c(Cc4ccccc4)c(C)nc4ncnn34)CC2)cc1	100472057	DTGFQQPBDXWURT-HHHXNRCGSA-N	541.656	2.865	0	40	KFAB	
CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](Cc4ccc(O)cc4)N[C@@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)cc1	101276561	UREWEQHDQCCSQR-IDCDSMMUSA-N	529.524	2.876	0	40	KFAB	
Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)OCC(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)c2)c1	103096645	UIQSGMLXOQJXLV-UHFFFAOYSA-N	587.676	2.921	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3/C(=O)Nc4ccccc43)c(=O)n2[C@H]1c1ccccc1OC(C)C	165158841	YGJHNFUFHPZEBU-MOBKVPTQSA-N	503.580	2.908	0	40	KFAB	
CN(Cc1nc(-c2cccc(Br)c2)no1)C(=O)COc1ccc(N(C)S(C)(=O)=O)cc1	223983475	KTTAFWPTGWCNFT-UHFFFAOYSA-N	509.382	2.932	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1	224383861	UKHVTFRMEBUDAC-UHFFFAOYSA-N	535.688	2.763	0	40	KFAB	
CCn1c(=O)n(CC)c2cc(NC(=O)CSc3nnc(CN4CCOCC4)n3-c3ccccc3)ccc21	408543815	RAXNXLJBKNAMBD-UHFFFAOYSA-N	521.647	2.987	0	40	KFAB	
Cc1cc(C)cc(NC(=O)COc2ccc(N3C[C@H](C(=O)NCCCN4CCOCC4)CC3=O)cc2)c1	408580801	RKPLSXPPONETPM-JOCHJYFZSA-N	508.619	2.512	0	40	KFAB	
C[C@@H]1NC(=O)CCCN(C)C(=O)CC[C@@H](C(=O)NCc2cccc(CN3CCOCC3)c2)NC(=O)c2ccccc2OC[C@H](Cc2ccccc2)N(C)C1=O	643578233	SMSYIQVIKFPTHX-BDVXFIEHSA-N	754.929	2.919	0	40	KFAB	
O=C(Nc1cccc(C(F)(F)F)c1)N[C@H]1CO[C@@H]2[C@@H](n3nnnc3Oc3ccc(-n4cncn4)cc3)CO[C@H]12	4259857	XZGQAKYBLRYONU-VNTMZGSJSA-N	543.466	2.594	0	40	KFAB	biogenic,in-vitro
CSCC[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N1CCC2(CC1)NCCc1[nH]cnc12	8791956	MULNGVGDXOWVCA-SFHVURJKSA-N	506.470	2.687	0	40	KFAB	biogenic
COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2-c2nnn(CC(=O)c3ccc(OC)cc3)n2)cc1	12485190	NOEAWZNGKQFOOI-UHFFFAOYSA-N	507.528	2.819	0	40	KFAB	
COCCN(CC(=O)Nc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)NC2CCCCC2)cc1	13496945	JTAOKWXCPNCHPS-UHFFFAOYSA-N	509.650	2.573	0	40	KFAB	
COc1ccccc1-c1nc(S(=O)(=O)c2ccc3c(c2)OCCO3)c(NCCN2CCOCC2)o1	13690229	QYNFISIDSMACML-UHFFFAOYSA-N	501.561	2.698	0	40	KFAB	
CCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(I)cc1)S(C)(=O)=O	14410880	TUIAIVCQQWNCCG-UHFFFAOYSA-N	515.373	2.836	0	40	KFAB	
COC(=O)c1ccccc1NC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc2c(c1)OCCO2	15481703	VWMNFQUDJXIALQ-JOCHJYFZSA-N	508.552	2.999	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5)sc4n3)CC2)cc1	41077603	WUXNHZDQEUZCQO-UHFFFAOYSA-N	511.629	2.723	0	40	KFAB	
COC(=O)[C@@]1(CCSC)N[C@H](c2ccc(OC)cc2OC)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21	100422238	MVRMFYUVGCIKMK-IDIXZGLXSA-N	542.610	2.590	0	40	KFAB	
Cc1c(NS(=O)(=O)c2ccc(Cl)c(C(=O)O[C@@H](C)C(=O)NC[C@H]3CCCO3)c2)c(=O)n(-c2ccccc2)n1C	102923676	SRRZAJAPKAEPFU-PKOBYXMFSA-N	577.059	2.779	0	40	KFAB	
CCOC(=O)c1c(NC(=O)COC(=O)[C@@H](NC(=O)c2ccc(OCC)cc2)C(C)C)sc(C(=O)NC)c1C	103137001	KLHRZMUDBNGCMK-FQEVSTJZSA-N	547.630	2.928	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	222664390	NWRHEBIDORLEBA-AWEZNQCLSA-N	530.430	2.694	0	40	KFAB	
CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)Cc1ccccc1Cl	223841274	STHILPVNAPWECI-UHFFFAOYSA-N	500.042	2.915	0	40	KFAB	
CS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(Cl)c(Cl)c1	224291503	XZYGOUZJUAEYDK-UHFFFAOYSA-N	550.486	2.739	0	40	KFAB	
CCOC(=O)c1oc2cc(OC[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)ccc2c(=O)c1-c1cscn1	245284028	PVMPTMQZVPQGRW-MTIHEKKKSA-N	661.638	2.598	0	40	KFAB	
O=S1(=O)NC[C@H](O)CN(Cc2ccncc2Cl)C[C@]2(COc3cc(-c4ccccc4F)ccc31)C[C@H](O)[C@H](O)C2	253400776	LUNWFLCRRZSJPB-ZMKPBNSHSA-N	592.089	2.577	0	40	KFAB	
COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCC(C(N)=O)CC1)c1cccc(C(F)(F)F)c1	408589868	GFVDPCKGAUCWRQ-UHFFFAOYSA-N	513.538	2.942	0	40	KFAB	
CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)cc1OC	409034791	IHXGQJCIUWUIAV-GMPUOFRTSA-N	536.606	2.749	0	40	KFAB	
COC(=O)COc1c(I)cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1I	409400656	PXGJEUDIQGGFGD-AUWJEWJLSA-N	666.162	2.920	0	40	KFAB	
CNCCOc1cc(Cl)ccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O	2037879636	IQPGABLSFKBPKD-ZEQRLZLVSA-N	540.016	2.797	0	40	KFAB	
Cc1cccc(N(CCOC(=O)Cn2cnc3ccccc3c2=O)C2=NS(=O)(=O)c3ccccc32)c1	1461789	NZQQQCSGWZVESA-UHFFFAOYSA-N	502.552	2.904	0	40	KFAB	
COc1ccc(CNC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)cc1OC	3272039	IRHMGPAECLUQLN-UHFFFAOYSA-N	510.568	2.928	0	40	KFAB	
COc1ccc(-c2cc(-c3nnc(SCC(=O)Nc4ccc(Br)cn4)n3N)[nH]n2)cc1	9542050	DIEQGZCTDXDEAZ-UHFFFAOYSA-N	501.370	2.946	0	40	KFAB	
COc1cc(-n2c(=O)c3ccccc3n(Cc3cc(=O)n4cc(Cl)ccc4n3)c2=O)cc(OC)c1OC	9616044	CDZLCRDGOLPULJ-UHFFFAOYSA-N	520.929	2.888	0	40	KFAB	
Cc1ccc(N(C(=O)C[S@](=O)CC(=O)Nc2ccc3c(c2)OCO3)[C@H](C)C(=O)NC2CCCC2)cc1	12709580	RPQZFLFJJLNZBK-QCNWMPOZSA-N	513.616	2.891	0	40	KFAB	
CCc1nc2ccccc2c(C(=O)OCC(=O)N(CC)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c1C	32666494	MKWOXQQKTLDECG-UHFFFAOYSA-N	515.570	2.796	0	40	KFAB	
COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)CC1	59838866	SZCACKCPWOWZSR-UHFFFAOYSA-N	537.704	2.786	0	40	KFAB	
Cc1ccccc1CCN(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccc(F)cc1	100284339	AGYIEYRHGLMCQU-NZQKXSOJSA-N	539.633	2.993	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	222596095	JELZLFDRZLTDNW-NZQKXSOJSA-N	531.675	2.988	0	40	KFAB	
C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	224072707	GDGDQZUBZGTCDK-KRWDZBQOSA-N	521.611	2.695	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1	224212579	XBOFAYITEHUMDH-UHFFFAOYSA-N	517.629	2.571	0	40	KFAB	
C/C(=C\C(=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	257482989	MINDHVHHQZYEEK-YGXHWIQISA-N	500.629	2.593	0	40	KFAB	biogenic,in-vitro
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O	260946096	JHZLDLLUGOUVMJ-MOPGFXCFSA-N	517.648	2.996	0	40	KFAB	
COc1ccccc1C(=O)NN1C[C@H](C(=O)OCC(=O)Nc2ccc(Br)cc2Cl)CC1=O	408660094	UOZFAAZJSFPACH-GFCCVEGCSA-N	524.755	2.786	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\Nc3cc(C(=O)O)ccc3C)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	408869794	QWQVORGWFGZUOS-VZIOXZNFSA-N	537.594	2.843	0	40	KFAB	
COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)Oc3cc(C)c(C(=O)N[C@H](CO)C(=O)O)c(O)c3)c(OC)c2)c(OC)c1	514288066	MSLCKSISNXSJJH-HXUWFJFHSA-N	597.573	2.957	0	40	KFAB	biogenic,in-vitro
O=c1n(CCO)c2c(Br)c(Br)c(Br)c(Br)c2n1CCO	1459903	WKQKLCTYZKFNTG-UHFFFAOYSA-N	537.828	2.838	0	40	KFAB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc4c(c3)n(C)c(=O)n4C)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	2076440	HZGBZODLAGVAIK-ZUCAMLDZSA-N	594.649	2.855	0	40	KFAB	
COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCC2)c2ccncc2)c(OC)c1	6136497	QMPLXQCNXGEEBC-NRFANRHFSA-N	524.603	2.683	0	40	KFAB	
CC(C)C[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(C)C)C(N)=O	6190427	KXYQTNFTLYPKFE-VSKRKVRLSA-N	515.655	2.761	0	40	KFAB	
COc1ccccc1CN(CC(=O)NC(=O)NCc1ccccc1)CC(=O)NC(=O)NCc1ccccc1	12565254	XWRNHQSWGISVOC-UHFFFAOYSA-N	517.586	2.549	0	40	KFAB	
COc1ccc(NC(=O)CN2CCN(c3ccc(C(C)=O)cc3)CC2)cc1S(=O)(=O)N1CCCCC1	12589424	APUBHNIVYMUOKC-UHFFFAOYSA-N	514.648	2.833	0	40	KFAB	
CCC(CC)C(=O)NCCN(C(=O)C(CC)CC)c1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1	13990369	IKZZHXRMVAGZTQ-UHFFFAOYSA-N	524.666	2.804	0	40	KFAB	
COc1ccc(CNC(=O)CC[C@@H]2N=C3c4ccccc4N=C(SCC(=O)NC[C@@H]4CCCO4)N3C2=O)cc1	38150017	MKSDDXMMPLLTEO-REWPJTCUSA-N	549.653	2.779	0	40	KFAB	
COc1ccc2[nH]c(=O)c(CN(Cc3ccc4c(c3)OCO4)Cc3nnnn3C[C@H]3CCCO3)cc2c1	57607860	HMDZTKMUPAPRMF-OAQYLSRUSA-N	504.547	2.633	0	40	KFAB	
COc1ccc(CN(Cc2cc3cc4c(cc3[nH]c2=O)OCO4)Cc2nnnn2C[C@@H]2CCCO2)cc1	57642720	DMAXVKGXBCYQCK-NRFANRHFSA-N	504.547	2.633	0	40	KFAB	
CC1(C)OC[C@@H]([C@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]2OC(=O)[C@@H](Cc2ccccc2)NC(=O)CNC(=O)OCc2ccccc2)O1	70699243	PGIQKXPBSUHAPP-LSQFXPIMSA-N	598.649	2.580	0	40	KFAB	biogenic
C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)C1=O	103116026	YECQQDGDVZYYNZ-RUZDIDTESA-N	563.032	2.692	0	40	KFAB	
CCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	224294292	JKWFELPWMWSOTR-HXUWFJFHSA-N	524.039	2.821	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)Nc1ccccc1C(=O)N1CCCCC1	225853433	ZQNCTSJAFGFNGM-UHFFFAOYSA-N	515.632	2.914	0	40	KFAB	
COC(=O)[C@]1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)C[C@H](O)[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@@H]6O)[C@](C)(CO)[C@@H]5CC[C@@]43C)[C@H]2C1	247853274	SFZVDNKTWPZIJG-WCWDRMJUSA-N	664.833	2.793	0	40	KFAB	endogenous,in-man
COc1ccc(N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1OC	260806573	SFYQHNZOOGUYCD-LJQANCHMSA-N	519.664	2.844	0	40	KFAB	
O=C(CN1C(=O)N/C(=C\c2cn(CC(=O)N3CCOCC3)c3ccccc23)C1=O)Nc1ccc(Br)cc1	408960605	HEUKNDPOXKZYOS-BKUYFWCQSA-N	566.412	2.794	0	40	KFAB	
O=C(Cn1cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)c2cc(Br)ccc21)NC[C@H]1CCCO1	409139415	ASCVQQWQCTYYCW-BYSCUOHCSA-N	591.484	2.594	0	40	KFAB	
Cc1cc(OC[C@@]2(CC(=O)N3CCN(C)CC3)CN(C(=O)CCc3nc(C(C)C)no3)CCO2)ccc1Cl	585285694	MDNPLWQGBJHGQN-HHHXNRCGSA-N	548.084	2.928	0	40	KFAB	
CC(C)C[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCOc2ccc(Cl)cc2)CC(=O)N2CCC[C@@H]2C(=O)N1	643565179	UJOLKTXFPYNTJJ-GVXSCFBNSA-N	585.101	2.938	0	40	KFAB	
CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C	12563966	VDTRQSFAESBVFB-UUOWRZLLSA-N	527.709	2.691	0	40	KFAB	
COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2cccs2)c1	12711312	LFXOGZURSAMNRC-KXBFYZLASA-N	515.617	2.578	0	40	KFAB	
COc1ccc(Cn2nnnc2CN(CCCN2CCOCC2)Cc2cc3cc(C)cc(C)c3[nH]c2=O)cc1	12833059	DBBIKLKKBYJDMW-UHFFFAOYSA-N	531.661	2.913	0	40	KFAB	
Cc1ccc(N2C(=O)N(CC(=O)N3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)C(=O)[C@@H]2C)cc1	13527813	KDNLAOAZLAXJLL-FQEVSTJZSA-N	520.611	2.838	0	40	KFAB	
CC[C@@H](C)[C@H](NC(=O)C1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(C)cc2)CC1)C(=O)O	38144946	WKVSFTRPXKAZBK-YNJKOYDBSA-N	543.686	2.739	0	40	KFAB	biogenic
Cc1cc(C)cc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)S(C)(=O)=O)c1	44881017	TZDWWTDKKVCZEV-KRWDZBQOSA-N	503.606	2.687	0	40	KFAB	
COc1cc(OS(=O)(=O)O)ccc1OCCNC[C@@H](O)COc1cccc2[nH]c3ccccc3c12	65742974	FMLIWSROQXGZRD-MRXNPFEDSA-N	502.545	2.920	0	40	KFAB	in-vitro
Cn1cc(C(=O)N2CCN(c3ccccc3)CC2)c(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)n1	67337743	QTFWUBHZUWRCPC-UHFFFAOYSA-N	529.066	2.547	0	40	KFAB	
CC(=O)c1ccc(OC[C@@H](O)CN2CCN(CCN3C(=O)c4cccc5cccc(c45)C3=O)CC2)cc1	84459730	WHFYPLIBEUJWRV-QHCPKHFHSA-N	501.583	2.696	0	40	KFAB	
CC(C)[C@H](C(=O)O)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@H]4Sc5[nH]c(=O)sc5[C@@H](c5ccccc5O)[C@H]34)[C@@H]2C1=O	101174903	CXHOWVXUEZYAFS-HQLHBHPGSA-N	500.598	2.725	0	40	KFAB	
C[C@H](Sc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cn1)C(=O)Nc1ccc(C(N)=O)cc1	102904158	ZQGZBKKDSBKGFW-IBGZPJMESA-N	539.683	2.806	0	40	KFAB	
CCOc1cc(S(=O)(=O)N2CCC(c3nc(O)c4nnn(Cc5cccc(Cl)c5)c4n3)CC2)c(OCC)cc1-n1cnnn1	150446055	ATXOUVAOZWTZHD-UHFFFAOYSA-N	641.114	2.970	0	40	KFAB	
CC(=O)c1ccc(N2CCN([C@H]3CC(=O)N(c4ccc(I)cc4)C3=O)CC2)cc1	215725982	JDDAIUZTNIYFSI-FQEVSTJZSA-N	503.340	2.948	0	40	KFAB	
CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	222883494	SLYPNZMYWNDMKM-QFIPXVFZSA-N	533.647	2.912	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	223051640	FPKIQWYVPUKZBZ-MRXNPFEDSA-N	556.479	2.786	0	40	KFAB	
CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O	223431692	HHKRKAXBAGIJEB-FQEVSTJZSA-N	526.453	2.777	0	40	KFAB	
CN(C[C@]1(O)CCCN(c2ccnc3ccncc23)C1)C(=O)c1ccc(OCCN2CCCC2=O)cc1	257341193	ZJGNJFYWRIYHIP-MUUNZHRXSA-N	503.603	2.735	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1	409019980	LEQBBWBGVWLSAH-CFEDROAVSA-N	635.739	2.833	0	40	KFAB	
COc1ccc(CCCNC(=O)[C@@H]2CCC(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N[C@@H](CC(C)C)COc3ccccc3C(=O)N2)cc1OC	643571565	DOEWAHQATWMDHX-ZXRKZBAXSA-N	693.842	2.704	0	40	KFAB	
O=C(O)[C@H](CO)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O	938106	NLRJCROSGYRCIU-REOHCLBHSA-N	550.779	2.778	0	40	KFAB	
CCOC(=O)CNC(=O)[C@@H](c1c[nH]c2ccccc12)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(F)c1	6546595	AGXHYXYASOTPRH-OAQYLSRUSA-N	538.561	2.512	0	40	KFAB	
Cc1cc(OCC(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)ccc1Cl	13125978	JVUNZSYYVSDSSV-UHFFFAOYSA-N	517.387	2.883	0	40	KFAB	
O=C(C[S@](=O)CC(=O)N(CC(=O)NC1CCCCC1)Cc1ccccc1)Nc1ccc2c(c1)OCO2	19941246	QYGWDBNXPYJRHU-PSXMRANNSA-N	513.616	2.580	0	40	KFAB	
COc1cc(NC(=O)Cn2c(=O)n(CC(=O)NC3CCCC3)c(=O)c3oc4ccccc4c32)cc(OC)c1	72332042	MQKVTOWTOCHABP-UHFFFAOYSA-N	520.542	2.624	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@H](C(=O)NC(C)(C)C)c3ccc(C)o3)n2)cc1OC	100276061	HVEMTLAXTXUGQH-CYFREDJKSA-N	540.621	2.922	0	40	KFAB	
COc1ccc(C[C@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)cc1OC	100471991	PWFQDXMLYDPZMJ-FQEVSTJZSA-N	557.591	2.739	0	40	KFAB	
O=C(COC(=O)c1cc(Br)ccc1O)Nc1cc(Cl)ccc1S(=O)(=O)N1CCOCC1	102277113	CEAKUFZWXCEAPS-UHFFFAOYSA-N	533.784	2.625	0	40	KFAB	
O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1F	103017133	ZWCWJOKIWDEILP-DEOSSOPVSA-N	559.641	2.601	0	40	KFAB	
CC(C)(C)OC(=O)N[C@@H](Cc1cc(I)c(N)c(I)c1)C(=O)O	103651552	OFCKMLUMKIGWIG-JTQLQIEISA-N	532.116	2.998	0	40	KFAB	
COc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1OC	106709560	MOKDAZPZTLMJRO-HMAPJEAMSA-N	541.582	2.616	0	40	KFAB	
COc1ccc(CCNC(=O)CCCn2c(SCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)nc3ccccc3c2=O)cc1OC	150425254	NWJHDXHVBHJQQE-UHFFFAOYSA-N	667.810	2.651	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O	223061366	GTLDIBPTYOYTQH-MRXNPFEDSA-N	538.464	2.971	0	40	KFAB	
CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O	223089703	BHWBXUJRKGETOF-NRFANRHFSA-N	503.621	2.823	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	223501300	PFSMOSKKSHMCKY-HXUWFJFHSA-N	547.674	2.956	0	40	KFAB	
CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	224754457	UOIZDPTYJACDCI-IBGZPJMESA-N	505.637	2.722	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	224997063	VDSGCUVRFLXZGY-RBUKOAKNSA-N	503.621	2.903	0	40	KFAB	
CS(=O)(=O)N(CCc1ccccc1)CC(=O)N1C[C@H](C(=O)NCCc2ccccc2)Oc2ccccc21	260833389	WDZAIEJMDRJITH-AREMUKBSSA-N	521.639	2.644	0	40	KFAB	
CC(C)c1ccc2c(c1)OCC[C@@H]1CC[C@H](O)[C@@H](CNC(=O)[C@@H]3C[C@@H](CN3C(=O)OC(C)(C)C)NC2=O)O1	514287699	ZKCIPLRUJASYBI-LPVXIZACSA-N	531.650	2.725	0	40	KFAB	
O=C(C[C@]1(COc2cccc(Cl)c2)CN(C(=O)c2ccc3c(c2)OCO3)CCO1)N1CCOCC1	585287381	VTYBMWJDVQBCAJ-RUZDIDTESA-N	502.951	2.608	0	40	KFAB	
CCOC(=O)[C@@H](Cc1cc(I)c(O)c(I)c1)NC(=O)CC	12575725	DLWTZBITPOXGKR-LLVKDONJSA-N	517.101	2.602	0	40	KFAB	
COCCn1nnnc1[C@H](c1cc2ccc(OC)cc2[nH]c1=O)N1CCN(c2cc(C)ccc2C)CC1	19973297	ZJRMIIVSEHCRSM-VWLOTQADSA-N	503.607	2.698	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1	20110714	BRSJTERYSPWCJU-UHFFFAOYSA-N	526.080	2.721	0	40	KFAB	
COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O	20462072	QIGNRQVTURUKDC-UHFFFAOYSA-N	504.030	2.748	0	40	KFAB	
Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1	59838208	ICHILCTYODESOX-AREMUKBSSA-N	541.695	2.986	0	40	KFAB	
CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c1	103049937	BYOUUBZYFQNPFO-UHFFFAOYSA-N	530.068	2.952	0	40	KFAB	
CO[C@H]1[C@@H](O)[C@H](C)O[C@@H](O[C@@H]2C[C@@H]3CC[C@@H]4[C@H](CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@@]45O)[C@@]3(C)[C@H](OC(C)=O)C2)[C@H]1O	118926878	NTCQLIABTKPIND-TUWJZZNUSA-N	592.726	2.652	0	40	KFAB	
O=c1c2ccccc2n(C[C@H](O)CN2CCN(C/C=C/c3ccccc3)CC2)c(=O)n1C[C@H](O)CN1CCN(C/C=C/c2ccccc2)CC1	150519224	CJBSIEZOFZAYHQ-YLHRPBPRSA-N	678.878	2.547	0	40	KFAB	
COC(=O)CSc1nnc(NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccccc2)s1	223115547	WFRFTPFHSUMZSI-UHFFFAOYSA-N	538.629	2.654	0	40	KFAB	
COC(=O)CSc1nnc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)s1	223688698	OIMPQOBGZCLAER-UHFFFAOYSA-N	538.629	2.654	0	40	KFAB	
CCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	224581448	JHSSOWFAPBYOMT-JOCHJYFZSA-N	533.647	2.566	0	40	KFAB	
CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	224768971	RIJJOINXMBWIGX-NRFANRHFSA-N	503.596	2.940	0	40	KFAB	
COc1ccccc1N1CCN(C[C@H](O)CN2C(=O)[C@@H]3C4c5ccccc5C(C(C)=O)(c5ccccc54)[C@@H]3C2=O)CC1	226644296	BSKCHUWGIPJEQQ-SBDYPACWSA-N	565.670	2.814	0	40	KFAB	
CN1CCN(C(=O)CC2(COc3cccc(Cl)c3)CCN(C(=O)CCN3CCCC3=O)CC2)CC1	257321140	WAFLVUVASHORFT-UHFFFAOYSA-N	505.059	2.504	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3C[C@H](C(=O)OC)Oc4ccccc43)C2)cc1C	260734299	HODPYWLCPCQJTB-WZONZLPQSA-N	502.589	2.762	0	40	KFAB	
COc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1	408625152	VRGLSVSEWYFGMS-UHFFFAOYSA-N	524.020	2.826	0	40	KFAB	
Cc1cc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)no1	408677736	FBUFCZPYBCTBSL-ICXCYDCKSA-N	513.550	3.382	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCCC4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1	409168160	KVGYCBRQSAVWRO-DBLMTGOPSA-N	591.686	2.817	0	40	KFAB	
CCOC(=O)CN1C(=O)/C(=c2/sc3n(c2=O)[C@@H](c2ccc(SC)cc2)C(C(=O)OCC)=C(C)N=3)c2ccccc21	409388016	JYABNGRSUPGBTI-NXLSWJSLSA-N	577.684	2.800	0	40	KFAB	
Cn1cc(-c2ccc3c(c2)OCC[C@@H]2CC[C@H](O)[C@@H](CNC(=O)[C@@H]4C[C@@H](CN4Cc4ccc(F)c(F)c4)NC3=O)O2)cn1	514287577	NOLWLALQFHRKPU-JJZOFQSHSA-N	595.647	2.545	0	40	KFAB	
CC(C)(C)CN1CC(=O)N2CC[C@@H](CC(=O)N3CCN(C=O)CC3)[C@@H](C=CCOc3ccccc3C1)C2	958317698	FGDAFKNQTVGTII-ZEQRLZLVSA-N	510.679	2.639	0	40	KFAB	
O=C1Nc2ccc(Br)cc2/C1=c1/sc2n(c1=O)CN(c1cccc(Br)c1)CN=2	2359499	RTYKWXXDOFSUAD-NXVVXOECSA-N	520.206	2.641	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)NCCc1ccc(Cl)cc1Cl	3288173	WIDHLULZJAUCQN-UHFFFAOYSA-N	515.415	2.838	0	40	KFAB	
CC(=O)N[C@@H](Cc1ccccc1F)C(=O)NC1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1	13565629	RQBRVPASZXZEGH-FQEVSTJZSA-N	515.529	2.861	0	40	KFAB	
Cc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c(C)c1	19961986	KLIWJBBWKUGOJT-HSZRJFAPSA-N	531.579	2.800	0	40	KFAB	
C[C@H](NS(=O)(=O)c1ccc(CCC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1)c1ccccc1	20032959	LGHGZBSQXMANFG-SFHVURJKSA-N	501.630	2.623	0	40	KFAB	
COc1ccc(NC(=O)Cn2c(=O)n(CC(=O)NC3CCCC3)c(=O)c3oc4ccccc4c32)c(OC)c1	72332004	WXLLTGATVMIJDU-UHFFFAOYSA-N	520.542	2.624	0	40	KFAB	
CCN(CC)S(=O)(=O)c1ccc(C(=O)Oc2coc(CSc3nnc(NC(C)=O)s3)cc2=O)cc1	97990820	MYDSRZHBKZWYCI-UHFFFAOYSA-N	538.629	2.992	0	40	KFAB	
CCC(C)(C)NC(=O)[C@@H](c1ccc(OC)cc1OC)N(CCN1CCOCC1)C(=O)Cn1nnc2ccccc21	100355916	QHQVUTXMLBCWPP-HHHXNRCGSA-N	552.676	2.655	0	40	KFAB	
O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	103101012	HLJNZVCXAIUVCB-UHFFFAOYSA-N	600.115	2.721	0	40	KFAB	
CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	222438520	YJAOMGLVHJLXHJ-NRFANRHFSA-N	503.621	2.822	0	40	KFAB	
COC(=O)[C@H]1CN(C(=O)COc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)c2ccccc2O1	222670182	XVFNJKJNGZFEJW-XMMPIXPASA-N	510.568	2.853	0	40	KFAB	
COC(=O)[C@@H]1CN(C(=O)COc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)c2ccccc2O1	222719356	HOEWBWXPWSRMHB-DEOSSOPVSA-N	508.552	2.784	0	40	KFAB	
CNS(=O)(=O)c1ccc(C)c(NC(=O)CCc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)c1	222863334	SSRUFSOMGZFZJH-UHFFFAOYSA-N	515.657	2.995	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C	223063403	MNRANHQMHMXOCZ-QGZVFWFLSA-N	525.469	2.615	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	223873780	BAMVTPJWKHLGBX-QGZVFWFLSA-N	507.584	2.654	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1	224465308	PAHLIDWAENURTF-IBGZPJMESA-N	620.577	2.751	0	40	KFAB	
CC(=O)N[C@@H]1CC(=O)[C@]23C(=O)N[C@H](Cc4c[nH]c5ccccc45)[C@@H]2C(C)=C(C)[C@H](O)[C@@H]3/C=C/C[C@H](C)/C=C(/C)[C@@H](O)[C@H]1O	252514965	FOADMCJCIRJHTO-CPBWZNDWSA-N	589.733	2.867	0	40	KFAB	biogenic,in-vitro
COc1ccc(CN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)[C@H](C)C(=O)NCc2ccco2)cc1	260725491	WZQFXMOIJZAAAL-HXUWFJFHSA-N	513.616	2.784	0	40	KFAB	
CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(F)cc2)C(C(=O)OCC)=C(C)N=3)cc1	408800798	RBGNNUYBADCYTR-WNOSOOIWSA-N	524.570	2.879	0	40	KFAB	
COc1cccc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)NCc2ccccc2OC)c1	409378826	SBBZCHNDTHFJHD-DNQXCXABSA-N	537.521	2.864	0	40	KFAB	
Cc1cnc(NC(=O)CN2CCC3(CC=CC[C@@H]4COCC[C@@H]4NC(=O)[C@@H](CC(C)C)NC3=O)CC2)s1	1615125256	GFNSWQUMIDZPMP-BHIFYINESA-N	531.723	2.874	0	40	KFAB	
CC(C)[C@H](c1nnnn1Cc1ccc(F)cc1)N(CCO)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3	1334463	HDZJQSJKRHWTFY-XMMPIXPASA-N	508.554	2.665	0	40	KFAB	
COC(=O)c1ccccc1NC(=S)N(CCN1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3	19940480	DQTDNAOHNRBFJQ-UHFFFAOYSA-N	524.599	2.575	0	40	KFAB	
COc1ccc(CNC(=O)CC[C@H]2N=C3c4ccccc4N=C(SCC(=O)NC[C@@H]4CCCO4)N3C2=O)cc1	38150016	MKSDDXMMPLLTEO-NZQKXSOJSA-N	549.653	2.779	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)O)cc3)c(=O)n2[C@H]1c1ccc(SC)cc1	64754761	RAHUOJTWCHPLKH-CEMPLAKHSA-N	524.620	2.984	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1	66147991	ORBWOSGHCKXGIO-KDURUIRLSA-N	551.687	2.920	0	40	KFAB	
COc1ccc(OC)c(C[C@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c1	100468859	NWCDHFMBCHJRIQ-QFIPXVFZSA-N	557.591	2.739	0	40	KFAB	
COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(=O)(=O)N(C)C)cc3)cc2)c1	113516598	IRHSAQGDAXWYEN-UHFFFAOYSA-N	548.643	3.000	0	40	KFAB	
CC(C)(C)OC(=O)CN1CCN(CC(=O)OC(C)(C)C)CCN([C@H](CCC(=O)O)C(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CC1	162391403	SUAUFMLRKFUOID-AREMUKBSSA-N	700.915	2.808	0	40	KFAB	in-vitro
CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O	223981952	DHVQSSUFKOBTJW-MRXNPFEDSA-N	512.028	2.677	0	40	KFAB	
COC(=O)c1cc(NC(=O)C[C@@H]2C(=O)N[C@@H]3CCCC[C@H]3N2C(=O)c2ccc(F)cc2)cc(C(=O)OC)c1	250436208	WOVLFEMBJYTGKW-YPAWHYETSA-N	525.533	2.680	0	40	KFAB	
CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](O[C@@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@H]([C@]6(C)CC[C@H](C(C)(C)O)O6)[C@@H](O)C[C@@]3(C)[C@@H]5C[C@H](O[C@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@H]4C2(C)C)OC[C@H]1O	253506383	TZHGYWCJIXHMJK-VWDWRPNRSA-N	839.029	2.505	0	40	KFAB	
COc1ccc(-c2coc3ccc(O[C@H]4O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]4OC(C)=O)c(OC(C)=O)c3c2=O)cc1	254746363	RFTHIXXAUSTEOS-VREMGYNISA-N	656.593	2.856	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)o3)c(=O)n2[C@@H]1c1ccc(Br)cc1	409002848	WVBXLNWMYNAIOI-PZNLSKEWSA-N	558.454	2.990	0	40	KFAB	
COc1cc([C@H](CC(=O)NCCn2c(C)nc3cc(OC)c(OC)cc3c2=O)c2oc(C)cc(=O)c2O)ccc1O	604405919	SZTKIXXEQRSNMP-SFHVURJKSA-N	565.579	2.742	0	40	KFAB	biogenic
CCc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(O)cc2)cc1	6822022	GCLMJGHUKMISHS-UGKGYDQZSA-N	523.615	2.776	0	40	KFAB	
CCn1c(SCC(=O)Nc2cccc(C(C)=O)c2)nnc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1	6878409	NFBDYHGQGLXARV-UHFFFAOYSA-N	542.687	2.835	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@H](C(=O)NC[C@H]3CCCO3)c3ccco3)n2)cc1	7060874	UJWZFXGDUXASTI-YKSBVNFPSA-N	520.546	2.600	0	40	KFAB	
COc1ccc(NC(=O)CN(C)C(=O)c2ccc(NC(=O)C[C@@H]3SC(N4CCCC4)=NC3=O)cc2)cc1	12908082	FVYBNFFGJMFNPI-NRFANRHFSA-N	523.615	2.828	0	40	KFAB	
COc1ccc(Cn2nnnc2CN(Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)C[C@H]2CCCO2)cc1	57640398	UDXFAMWKWGBOKR-JOCHJYFZSA-N	520.590	2.770	0	40	KFAB	
COc1ccc(NC(=O)CN2c3ccc(F)cc3-c3ccccc3S2(=O)=O)cc1S(=O)(=O)N1CCOCC1	60059947	OHNVWARLEFJGJM-UHFFFAOYSA-N	561.613	2.670	0	40	KFAB	
COC(=O)[C@]1(C)[C@@H](OC(C)=O)C[C@H](OC(C)=O)[C@@]2(C)c3c(O)cc(C(C)C)cc3[C@@H](O)[C@@H](OC(C)=O)[C@@H]12	72320269	CDYGRHOHQUXDMN-AAACFBAPSA-N	520.575	2.815	0	40	KFAB	biogenic,in-vitro
COc1ccc2cc([C@@]3(C)NC(=O)N(CC(=O)N4CCN(S(=O)(=O)c5cc(C)ccc5C)CC4)C3=O)ccc2c1	96019896	ZHEAPSGLEAGWBV-GDLZYMKVSA-N	564.664	2.765	0	40	KFAB	
CCn1c(SCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(CC(=O)OC)c2=O)nnc1-c1ccc(Cl)cc1	103130187	AZZFUOSIZCTOGA-UHFFFAOYSA-N	569.043	2.720	0	40	KFAB	
O=S(=O)(c1ccc(S(=O)(=O)N2CCC(c3nc(O)c4nnn(Cc5ccc(Cl)cc5Cl)c4n3)CC2)cc1)N1CCOCC1	150373385	RTPWODWTBYGHFJ-UHFFFAOYSA-N	668.585	2.871	0	40	KFAB	
C[C@@H](C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O	216382299	LJGJFIRRIWVPPB-AWEZNQCLSA-N	509.997	2.724	0	40	KFAB	
C[C@H](C(=O)NCCN1CCOCC1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1	222800878	HTCOTGQXKCXWAF-HSZRJFAPSA-N	591.174	2.923	0	40	KFAB	
COc1ccc(S(=O)(=O)NCc2cccc(CN3CCOCC3)c2)cc1C(=O)N1CCC(C)CC1	224729929	FIUQAOOPFULSEM-UHFFFAOYSA-N	501.649	2.878	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	225359217	WYJPHEGBGPQGDE-RBUKOAKNSA-N	535.663	2.810	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C	225586882	OFEMRFZAGDDWIU-AREMUKBSSA-N	522.671	2.994	0	40	KFAB	
CC(C)(C)OC(=O)NCCCOc1cccc(C(=O)N(Cc2ccccc2)C[C@@H]2C[C@@H](n3ccc(O)nc3=O)[C@@H](O)[C@@H]2O)c1	257340876	ZHWZWDODDYAHAN-LPWJOBEDSA-N	608.692	2.868	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	260991356	QCHMQGGYVNCBDL-MOPGFXCFSA-N	522.643	2.779	0	40	KFAB	
Cc1cc(Br)ccc1NC(=O)COc1ccc(N2C[C@@H](C(=O)NCCN3CCOCC3)CC2=O)cc1	408579453	NOOOTKJRMQVWRK-IBGZPJMESA-N	559.461	2.576	0	40	KFAB	
CC(C)[C@H]1NC(=O)CC[C@@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)NC(=O)c2ccccc2OCCN(C)C1=O	643569243	PVHRWQVAVKDEMC-LBNVMWSVSA-N	596.700	2.561	0	40	KFAB	
Cn1c(=O)oc2cc(NC(=O)CN3CC[C@@H]4NC(=O)[C@H](Cc5ccccc5)NC(=O)C5(CC=CC[C@H]4C3)CCOCC5)ccc21	1615124499	FBIGEPUKMSNHBO-URORMMCBSA-N	615.731	2.751	0	40	KFAB	
O=C1CN(C(=O)CN2CC[C@H]3NC(=O)[C@H](Cc4ccccc4)NC(=O)C4(CC=CC[C@H]3C2)CCOCC4)c2ccccc2N1	2037879306	MHZIYNYZLSWUKB-REUBFRLUSA-N	599.732	2.653	0	40	KFAB	
COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC(C)(C)C)c2ccco2)c(OC)c1	6075077	GVSIUSASQSFZLZ-SFHVURJKSA-N	501.565	2.737	0	40	KFAB	
CCOc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)C2CCCC2)cc1	6601438	XYTSBBZRVWEFLL-NQIIRXRSSA-N	515.636	2.644	0	40	KFAB	
COc1cc(CNCCCSc2nnnn2-c2ccccc2)cc(Br)c1OCC(N)=O	22108938	PFPBOGWADPYEGY-UHFFFAOYSA-N	507.414	2.570	0	40	KFAB	
CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1	22249014	CNCRFAYGXBEPGC-UHFFFAOYSA-N	512.968	2.961	0	40	KFAB	
Cc1c(N2C(=O)CS[C@@]23C(=O)N(CN2CCC4(CC2)OCCO4)c2ccccc23)c(=O)n(-c2ccccc2)n1C	98008954	VZUPZKNCGDDDHG-LJAQVGFWSA-N	561.664	2.560	0	40	KFAB	
CCOc1nc2sc3c(c2c(=O)n1CCN1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1)CCCC3	104131247	RRKUOLQEXHDDFW-UHFFFAOYSA-N	559.714	2.700	0	40	KFAB	
Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCNS(=O)(=O)c3ccc(C)cc3)cc2)cc1	222673161	HONDZMDOSAGMQA-UHFFFAOYSA-N	517.629	2.578	0	40	KFAB	
CCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	224581501	JHSSOWFAPBYOMT-QFIPXVFZSA-N	533.647	2.566	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O	260996988	RAHRBVPLBBVQTC-MOPGFXCFSA-N	505.637	2.802	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\Nc3cccc(C(=O)O)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	408876080	JEIIMHRIXKPBFS-WLJFKGHSSA-N	523.567	2.535	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C)c4ccc(Br)cc43)c(=O)n2[C@@H]1c1ccc(OC)cc1	409111092	AZBHVTOYZLBBEP-SADKCHQCSA-N	568.449	2.916	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccc(Br)cc43)c(=O)n2[C@H]1c1cccc(OC)c1	409113290	HMSQZNGUXUJTMC-LCPUNJGISA-N	554.422	2.892	0	40	KFAB	
CCOC(=O)COc1c(I)cc(/C=C2/SC(=O)N(CCOC)C2=O)cc1OC	409126458	OFKZMHJELSUAEA-NTEUORMPSA-N	521.329	2.924	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCCC4)cc3)c(=O)n2[C@@H]1c1ccccc1OC	409156631	LFNAULXAXYLWJP-QEYQTOMISA-N	561.660	2.808	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OCCCn3cccn3)c(OC)c2)C[C@@](O)(COc2ccc(F)c(F)c2)C1	585281154	WRWZQQOLFOGPPO-LJAQVGFWSA-N	574.625	2.740	0	40	KFAB	
CCCNC(=O)COC(=O)c1cc(S(=O)(=O)N(C)c2c(C)n(C)n(-c3ccccc3)c2=O)ccc1Cl	2653418	NRYKXYXDOKPUOL-UHFFFAOYSA-N	535.022	2.646	0	40	KFAB	
CCOC(=O)CNC(=O)[C@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(C)ccc1C	6547107	SBPZSZVOVHTBQF-QFIPXVFZSA-N	539.614	2.517	0	40	KFAB	
COc1ccccc1/C=c1\s/c(=C\C(=O)c2ccccc2OC)n(Cc2nnsc2Cl)c1=O	32778208	AXBMDRGGXRUBED-ACXSEBCSSA-N	500.001	2.972	0	40	KFAB	
COc1ccc(CCN(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)cc1OC	38145060	UPAQIGNISDYHEB-NTKDMRAZSA-N	585.658	2.702	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)Cc2ccccc2)cc1Cl	59837962	SZGWUSSVWHHATE-UHFFFAOYSA-N	608.138	2.877	0	40	KFAB	
CCCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)c(Cl)c1	59852214	FOVVRXRRSQSDIQ-UHFFFAOYSA-N	544.095	2.898	0	40	KFAB	
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N(CCN(C)C)c3nc4c(OC)cccc4s3)cc2)CC1	60209375	MBAVBESATASISS-UHFFFAOYSA-N	575.713	2.976	0	40	KFAB	
CC1(C)O[C@@H]2O[C@H]([C@@H]3COC(C)(C)O3)[C@H](OC(=O)[C@@H](Cc3ccccc3)NC(=O)CNC(=O)OCc3ccccc3)[C@@H]2O1	70699259	PGIQKXPBSUHAPP-FCKZEVRNSA-N	598.649	2.580	0	40	KFAB	biogenic
O=C(O)c1ccc2c(c1)C(=O)N(NC(=O)c1ccc(Oc3ccc(C(=O)NN4C(=O)c5ccc(C(=O)O)cc5C4=O)cc3)cc1)C2=O	97994445	PIZUEPPZQLKUHF-UHFFFAOYSA-N	634.513	2.757	0	40	KFAB	
O=C1[C@@H]2[C@H](C(=O)N1CCOCc1ccccc1)[C@H]1C=C[C@@H]2[C@H]2[C@H]3C(=O)N(CCOCc4ccccc4)C(=O)[C@@H]3[C@H]12	100129587	JCNCGBKWUNBWRO-DZZATQCDSA-N	540.616	2.684	0	40	KFAB	
CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O	222818816	JIFYWODWWPIASX-QHCPKHFHSA-N	505.637	2.802	0	40	KFAB	
CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C	224620476	ZZSQORZLGPIQCI-QHCPKHFHSA-N	502.681	2.902	0	40	KFAB	
COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCNS(=O)(=O)c1ccc(C)cc1)Cc1ccccc1	226045510	XKNSNWOIINLVNT-UHFFFAOYSA-N	545.683	2.598	0	40	KFAB	
Cc1nc(N(C)S(C)(=O)=O)sc1C(=O)N1C[C@H](C(=O)NCc2ccccc2)Oc2ccccc21	260825593	HYBIPGIWBZUPRY-LJQANCHMSA-N	500.602	2.572	0	40	KFAB	
CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(F)cc2)C(C(=O)OCC)=C(C)N=3)cc1OC	408809449	OACURLMYUOLHCY-GLSAMTQTSA-N	554.596	2.888	0	40	KFAB	
COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(=O)OC)cc3)c(=O)n2[C@@H]1c1ccccc1OC(C)C	409012006	HCENTKUGDZZBGL-OWXSRONMSA-N	550.633	2.999	0	40	KFAB	
COc1ccc(NC(C)=O)cc1S(=O)(=O)N(Cc1ccccc1)[C@H]1CS(=O)(=O)C[C@H]1NCc1ccccc1	575425920	JBEOTTKQXHMHFT-RPBOFIJWSA-N	557.694	2.800	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OCCn3cc(C)cn3)c(OC)c2)C[C@@](O)(COc2ccc(C)cc2)C1	585274587	LHOKAYVKNPZCPB-PMERELPUSA-N	552.672	2.688	0	40	KFAB	
CC[C@H](C)[C@@H]1NC(=O)CC[C@@H](C(=O)NCCCc2ccccc2)NC(=O)c2ccccc2OCCN(C)C1=O	643569370	FHFOFYKIPIBGKD-DDZLNHKNSA-N	536.673	2.696	0	40	KFAB	
O=C1NC2(CCOc3cc(C4CCOCC4)ccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(C(=O)Nc1ccccc1)CC2	1548888900	BIXGHDAUHUXOJS-RPBOFIJWSA-N	598.722	2.670	0	40	KFAB	
Cc1ccc(OC[C@@H](O)Cn2c(N3CCC(Cc4ccccc4)CC3)nc3c2c(=O)[nH]c(=O)n3C)cc1	2416124	ZEVIYYTZDXVOKM-QFIPXVFZSA-N	503.603	2.631	0	40	KFAB	
CCOC(=O)CNC(=O)[C@@H](c1ccc2ncccc2c1)N(Cc1ccc(F)cc1)C(=O)c1snc(C(N)=O)c1N	6089343	RRHFCUGIVSGWIA-HSZRJFAPSA-N	564.599	2.575	0	40	KFAB	
COCCNC(=O)[C@@H](c1ccc2ncccc2c1)N(Cc1ccccc1OC)C(=O)c1snc(C(N)=O)c1N	6136197	YNIDZYUTHPAMPC-HSZRJFAPSA-N	548.625	2.527	0	40	KFAB	
CCOc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc3c(c2)OCCO3)cc1	6601693	CUNJRTCPXSPQHY-YADARESESA-N	581.651	2.677	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)c1ccc(OC(F)(F)F)cc1	12529104	KMRLXANMMNNFEW-UHFFFAOYSA-N	502.467	2.710	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCCN3c4cccc5cccc(c45)S3(=O)=O)CC2)cc1	13674681	GGHIZXNIOIKUSV-UHFFFAOYSA-N	513.641	2.970	0	40	KFAB	
CS(=O)(=O)NCCc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccc3c(c2)OCO3)s1	14241031	SWSZSVIHLCCXQC-UHFFFAOYSA-N	501.586	2.751	0	40	KFAB	
CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(Br)cc1	19856199	BERRDSBZHLYRNN-UHFFFAOYSA-N	516.439	2.638	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1	20487864	RHUURUFXAVKTSF-JOCHJYFZSA-N	519.689	2.501	0	40	KFAB	
COC(=O)C1=C(C(=O)OC)SC2(S1)C(C(=O)OC)=C(C(=O)OC)SC1=C2c2ccccc2N(C(=O)CN2C(=O)CCC2=O)C1(C)C	33353559	YEEXVHQKMFMJRM-UHFFFAOYSA-N	688.758	2.753	0	40	KFAB	
Cn1c(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c(O)c1CN1CCN(C/C=C/c2ccccc2)CC1	85878990	ASQRHFQXBOSEIC-NOBSUVEMSA-N	541.696	2.703	0	40	KFAB	biogenic
CCCc1nn(C)c2c(=O)nc(-c3cc(S(=O)(=O)N4C[C@@H]5C[C@H](C4)c4cccc(=O)n4C5)ccc3OCC)[nH]c12	136855876	STQIWWNMIGLZGK-ZWKOTPCHSA-N	564.668	2.645	0	40	KFAB	
CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	223167519	FCSBHKBUTNGBGD-LJQANCHMSA-N	512.028	2.677	0	40	KFAB	
CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C(=O)NCCO)c2ccccc2)cc1	223449488	HNFNTTLULAGBPZ-HHHXNRCGSA-N	541.645	2.935	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)cc1	224210293	PRDMECBZMXHEAE-UHFFFAOYSA-N	558.000	2.570	0	40	KFAB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NCCSc1ncn[nH]1	226005424	DIUFRQXLUPHSAA-UHFFFAOYSA-N	524.466	2.709	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCSc3nc(-c4ccccc4)n[nH]3)C2)cc1	226083883	IOHWBIRSMMWVEB-GOSISDBHSA-N	501.634	2.790	0	40	KFAB	
COC(=O)[C@@]1(C)[C@H]2[C@@H](OC(C)=O)[C@@H](O)c3cc(C(C)C)cc(O)c3[C@@]2(C)[C@@H](OC(C)=O)C[C@H]1OC(C)=O	252504674	CDYGRHOHQUXDMN-KVCBEWABSA-N	520.575	2.815	0	40	KFAB	biogenic,in-vitro
COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)CC1	408593978	RBQRRFZBGBUIAC-UHFFFAOYSA-N	536.050	2.822	0	40	KFAB	
CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OCC)=C(C)N=3)cc1OC	408768072	HUZHETSJVQSVBB-BXDIUNCMSA-N	542.635	2.810	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCC(=O)O)c(OC)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	408825857	AZDYWVLQVQBWCG-XFOXHJFNSA-N	694.500	2.892	0	40	KFAB	
CCOC(=O)COc1c(I)cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc1OCC	409126663	MFPYCYDRMWFCEI-NTUHNPAUSA-N	535.312	2.753	0	40	KFAB	
O=C1CN(C(=O)c2cc[nH]n2)CCCCNC(=O)c2cc(Cl)ccc2OC[C@H](Cc2ccccc2)N1	643559082	LDPKLYWGEFYOJL-FQEVSTJZSA-N	509.994	2.835	0	40	KFAB	
CCN(CC)C(=O)C[C@@H]1CCN2C[C@@H]1C=CCOc1ccccc1CN(C(=O)c1cnccn1)CC2=O	958317784	NDKUFSTWNPIBDI-VXKWHMMOSA-N	505.619	2.791	0	40	KFAB	
O=C1NC2(CCOc3cc(-c4cccnc4)ccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(CCC(F)(F)F)CC2	1548890514	RCFXPEWXUPIRCE-RTWAWAEBSA-N	568.618	2.558	0	40	KFAB	
CCn1c(SCC(=O)Nc2ccc(OC)cc2OC)nnc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1	6878393	QKTLBEUHTFOZDI-UHFFFAOYSA-N	547.659	2.734	0	40	KFAB	
COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(OC)c(O)c(OC)c4)c(=O)n32)cc1	8443032	IKGUMYNFHLUOSQ-RQLGBQGVSA-N	524.595	2.918	0	40	KFAB	
Cc1ccccc1N(C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)[C@@H](C)C(=O)NC1CCCC1	12709529	IRAFLPRTEULCPU-DVBGFMBJSA-N	513.616	2.891	0	40	KFAB	
CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)ccc1Cl	13137205	ARRGLBVQVKFTKS-UHFFFAOYSA-N	504.030	2.882	0	40	KFAB	
COc1cc(OC)c2c(c1)O[C@@]1(c3ccc(OC)c(O)c3)[C@H](c3ccccc3)[C@@H](C(=O)N(C)C)[C@@H](O)[C@@]21O	14687620	VOSHNPGEFUCUHH-IDAMAFBJSA-N	521.566	2.756	0	40	KFAB	biogenic,in-vitro
CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](C)N2CCN(Cc3ccc4c(c3)OCO4)CC2)ccc1C	22798097	VPWCTKXWRDTLQV-FQEVSTJZSA-N	516.664	2.899	0	40	KFAB	
Cc1ccc(C)c(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)S(C)(=O)=O)c1	38755263	BFKLKCNKDSQHTL-SFHVURJKSA-N	517.633	2.996	0	40	KFAB	
O=C(Cn1c(=O)c2oc3ccccc3c2n(CC(=O)N2CCCc3ccccc32)c1=O)NC1CCCC1	72331998	WYRFBGXTHXKACL-UHFFFAOYSA-N	500.555	2.948	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCSc3nc(-c4ccccc4)n[nH]3)C2)cc1OC	222572056	HBBVVAHRKHJJKU-GOSISDBHSA-N	531.660	2.798	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C	222664071	PSAFOUYGONJNTO-HNNXBMFYSA-N	501.436	2.770	0	40	KFAB	
CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	224869889	KRWKJAUOGRRGST-KRWDZBQOSA-N	507.584	2.654	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C)c1	260899233	NTODTAADRYMJNX-LJQANCHMSA-N	535.663	2.668	0	40	KFAB	
COc1cc([C@@H](CC(=O)N[C@@H](Cc2ccccc2)c2nc(O)n[nH]2)c2oc(C)cc(=O)c2O)ccc1O	524730224	AEDCBYLKSKHNKP-MSOLQXFVSA-N	506.515	2.814	0	40	KFAB	biogenic
COc1ccccc1OCC(=O)N1CCO[C@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CCN(C)CC2)C1	585282702	ADHOXANXNDRETD-MUUNZHRXSA-N	546.064	2.877	0	40	KFAB	
CC(C)(O)CCC(=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@H](O)C4(C)C)[C@@]3(C)C(=O)C[C@@]12C	2060993644	VVBWBGOEAVGFTN-ATQVCNHTSA-N	520.707	2.944	0	40	KFAB	
CC(=O)c1ccc(N2CCN(C(=O)CCCn3c(=O)[nH]c4ccc(Br)cc4c3=O)CC2)cc1	4766552	MDDIGFZNDXLGTC-UHFFFAOYSA-N	513.392	2.784	0	40	KFAB	
COc1ccc(C(=O)COC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)c(OC)c1	38139384	IFAPHDXMVWDBHN-UHFFFAOYSA-N	532.615	2.755	0	40	KFAB	
Cc1ccc(C)c(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)S(C)(=O)=O)c1	38755265	BFKLKCNKDSQHTL-GOSISDBHSA-N	517.633	2.996	0	40	KFAB	
CC(=O)N[C@H]1[C@H](Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCCO5)c(C)oc3c2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	79204555	QDJSDLWLSPZZTC-BZTKZSPSSA-N	653.637	2.965	0	40	KFAB	biogenic
COc1ccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3cccc4ccccc34)CC2)c(OC)c1	100472093	GWHLFCQUHIHWNM-RUZDIDTESA-N	539.654	2.874	0	40	KFAB	
COc1ccc(S(=O)(=O)c2cnc(N3CCN(CC(=O)Nc4ccc(C)cc4)CC3)nc2N)cc1Cl	102433667	HEHUUVZVOVKRQF-UHFFFAOYSA-N	531.038	2.623	0	40	KFAB	
CC(=O)OC[C@H]1O[C@@H](SCCOc2ccc(Br)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	102809752	ZDUHEZBXPHVNCZ-LMYCIYFBSA-N	563.419	2.644	0	40	KFAB	
CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1ccc2c(c1)OCO2	107608374	YKEJJECZOHXEID-UHFFFAOYSA-N	521.548	2.760	0	40	KFAB	
COc1ccc(-c2coc3cc(O[C@@H]4O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]4OC(C)=O)cc(OC(C)=O)c3c2=O)cc1	150343772	XHCIZLWHEPIQDR-HPVJBMGRSA-N	656.593	2.856	0	40	KFAB	biogenic,in-vitro
COCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1	222950420	VOJPYQPXUPDKLE-NRFANRHFSA-N	531.675	2.592	0	40	KFAB	
CCCC1=C(C(=O)OCC)[C@H](c2cccc(OC)c2)n2c(s/c(=C/c3ccc4c(c3)n(C)c(=O)n4C)c2=O)=N1	408863893	ROOUTQUACRCVBN-XXMKCSCWSA-N	546.649	2.778	0	40	KFAB	
O=C(CCOc1ccc(F)cc1)N1CCCCC2(CCN(Cc3ccncc3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1	643578232	SLUAWQUSUOKFPP-RRPNLBNLSA-N	557.663	2.940	0	40	KFAB	
CC(C)C[C@H]1NC(=O)C2(CC=CC[C@@H]3COCC[C@@H]3NC1=O)CCN(CC(=O)NCCOc1ccccc1)CC2	2037879556	DGYZKERMWKDEHN-FXVJXKIMSA-N	554.732	2.666	0	40	KFAB	
CCOC(=O)CNC(=O)[C@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)c(C)c1	6547110	HJEXHYLOQRCRAA-QFIPXVFZSA-N	539.614	2.517	0	40	KFAB	
CCOc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NCCOC)c1ccc(F)cc1	6631404	SBSWIMQVOJHTPT-FQEVSTJZSA-N	515.567	2.513	0	40	KFAB	
COC(=O)c1ccc(NC(=O)Cn2c(=O)c3c(ncn3C3CCCC3)n(Cc3ccccc3)c2=O)cc1	12524838	KHSOKPJXYNXMAV-UHFFFAOYSA-N	501.543	2.948	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)C2CCCCC2)cc1	20030633	DNJFFGFZVBBUIJ-UHFFFAOYSA-N	507.678	2.885	0	40	KFAB	
CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1	20032662	MAHSLVIVJYGKMU-UHFFFAOYSA-N	523.677	2.587	0	40	KFAB	
Cc1ccn2c(=O)c(Cc3nnc(SCC(=O)N[C@@H](C)c4nc5ccccc5[nH]4)n3C)c(C)nc2c1	41078200	YVFVTVDZUOZAPG-INIZCTEOSA-N	502.604	2.876	0	40	KFAB	
COc1ccc(CN(C)C(=O)[C@H](CCSC)NS(=O)(=O)c2ccc3c(c2)OCCO3)c(OC)c1OC	95570841	VGWIBJPJBQWBAZ-SFHVURJKSA-N	540.660	2.542	0	40	KFAB	
CC(=O)Oc1c(I)cc(I)cc1C(OC(C)=O)OC(C)=O	95870063	SMDCPYFQWCTKRE-UHFFFAOYSA-N	518.041	2.946	0	40	KFAB	
O=C(NC[C@@H]1CCCO1)[C@@H](c1cccs1)N(Cc1ccc2c(c1)OCO2)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	100377912	GINMGOVWWOFFHT-AFMDSPMNSA-N	597.671	2.687	0	40	KFAB	
COc1cc2c(=O)n(Cc3ccc(C(=O)NCc4ccco4)cc3)c(=O)n(CC(=O)N3CCCCC3)c2cc1OC	101273630	XVZJWAPLCRQQJC-UHFFFAOYSA-N	560.607	2.764	0	40	KFAB	
C[C@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1)C(=O)N1CCN(C(=O)c2ccco2)CC1	103136342	KDCOLHLDAXKFEQ-SFHVURJKSA-N	560.028	2.941	0	40	KFAB	
COc1ccccc1C(=O)NN1C[C@@H](C(=O)OCC(=O)Nc2ccc(Br)c(Cl)c2)CC1=O	138529048	UMFZSWREYMSXIZ-LBPRGKRZSA-N	524.755	2.786	0	40	KFAB	
C[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O	216382343	LJGJFIRRIWVPPB-CQSZACIVSA-N	509.997	2.724	0	40	KFAB	
Cc1ccc(S(=O)(=O)NCCNC(=O)CCc2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1	222864602	IXUSJJCLKZUJAU-UHFFFAOYSA-N	515.657	2.501	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	222964810	QGGYTXGASFGSQB-LJQANCHMSA-N	505.637	2.803	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1cccc(OC)c1)[C@@H](C)C(=O)NC(C)(C)C)c1ccc2c(c1)OCCO2	223047141	HROSOFOIRMPXPD-IBGZPJMESA-N	547.674	2.955	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	223051535	FEEAOEWLOXYPBE-INIZCTEOSA-N	556.479	2.786	0	40	KFAB	
O=C(NCc1ccc(CN2CCOCC2)cc1)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1	224566156	QCHHYHRPBDREJY-MHZLTWQESA-N	521.639	2.933	0	40	KFAB	
CC(C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	224630083	OZFHOGBTLFWWRN-MRXNPFEDSA-N	510.012	2.777	0	40	KFAB	
Cc1cc(Br)ccc1NC(=O)COc1ccc(N2C[C@H](C(=O)NCCN3CCOCC3)CC2=O)cc1	408579454	NOOOTKJRMQVWRK-LJQANCHMSA-N	559.461	2.576	0	40	KFAB	
O=C(COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1Cl)NCCCN1CCOCC1	408593382	NLYYJPHSLPBNAE-UHFFFAOYSA-N	508.040	2.699	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCC(=O)O)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC	408838434	WCDRLFPNHVXBGZ-SNXNUMJZSA-N	664.474	2.884	0	40	KFAB	
COc1c(O[C@@H]2O[C](CO)[C@@H](O)C(O)=C2O)cc2c(c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC(C)=O)CC2	1560408718	DHRVPBWHEUDEAQ-DRWOTAJISA-N	560.601	2.524	0	40	KFAB	
COc1ccc(C2(O)CCC(=[N+]3CC[C-](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1	1560411608	LRABHJNTYCPIFH-UHFFFAOYSA-N	518.536	2.806	0	40	KFAB	
COc1ccc(NC(=O)O[C@@H]2CC[C@@]3(C)[C@H](CC(=O)N4CC[C@@H](O)C4)[C@H](O)CC[C@H]3[C@]2(C)CO)cc1	4236665	BEVVNMCLLYCNRY-OXHCNGLLSA-N	504.624	2.781	0	40	KFAB	biogenic,in-vitro
CC[C@@H](C)[C@@H](NC(=O)[C@@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O	4574681	MLLNBNIWCJUKEH-JOXZGHKQSA-N	582.698	2.757	0	40	KFAB	
CCOc1ccc(NC(=O)Cn2c(=O)n(CCCC(=O)NCc3ccco3)c(=O)c3ccccc32)cc1	9616316	CWMDMJCHQVWWRI-UHFFFAOYSA-N	504.543	2.890	0	40	KFAB	
COc1ccc(-c2nc3scc(CCNS(=O)(=O)c4ccc(NC(C)=O)cc4)n3n2)cc1OC	16047682	HBTFYSYNIAHBSW-UHFFFAOYSA-N	501.590	2.954	0	40	KFAB	
Cc1ccccc1C(=O)N[C@@H](C(=O)N1CCN(C(=O)c2ccccc2)CC1)S(=O)(=O)c1ccccc1	36625459	WLJXDOQQAZKUAP-RUZDIDTESA-N	505.596	2.509	0	40	KFAB	
Cc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)S(C)(=O)=O)cc1	44847069	SJZPYBRRLOSUJA-GOSISDBHSA-N	517.633	2.996	0	40	KFAB	
O=C1[C@H]2CC=CC[C@@H]2C(=O)N1CN1CCN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1	100887550	GMEVTPGGNRVSMU-IRXDYDNUSA-N	525.471	2.939	0	40	KFAB	
CCOC(=O)C1=C(N)n2c(s/c(=C/c3ccc(Cl)cc3)c2=O)=C(C(=O)OC)[C@H]1c1ccc(Cl)cc1	100895718	WGGVEIMYEKAPFE-WQJNHMDYSA-N	531.417	2.857	0	40	KFAB	
CCOC(=O)c1ccc(NC(=O)CN2C(=O)[C@H]3[C@H]4C[C@H]([C@H]5Sc6[nH]c(=O)sc6C(C)(C)[C@H]45)[C@@H]3C2=O)cc1	101273407	CPTVKKABNVQKSK-NXEGGVMNSA-N	541.651	2.871	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223025842	RSQUSQYWHRDKBV-HXUWFJFHSA-N	517.648	2.866	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223125238	RKKILODSBVEDFP-HXUWFJFHSA-N	517.648	2.866	0	40	KFAB	
CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O	223216649	HDUGSGAIZPXWLF-IBGZPJMESA-N	561.417	2.750	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O	223524867	GPJLVQQVTDLTON-MRXNPFEDSA-N	543.427	2.611	0	40	KFAB	
CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	223982393	ZOIRXYKHCDRNLS-JOCHJYFZSA-N	515.632	2.954	0	40	KFAB	
CCCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	224014365	HOHQZBOOYQPLDR-QFIPXVFZSA-N	533.647	2.914	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1	225508786	JQJROVCBVZJYEE-SFHVURJKSA-N	507.634	2.519	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	261047178	LMKRIEWFGMPFLK-IRXDYDNUSA-N	507.584	2.652	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1	408703529	RZZGWSFWBQZMTK-UHFFFAOYSA-N	515.632	2.803	0	40	KFAB	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)O)cc3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC	408942737	LBKXOZUPQVQNOJ-BQHBEAIMSA-N	528.970	2.534	0	40	KFAB	
CCOC(=O)COc1ccccc1/C=c1/sc2n(c1=O)[C@H](c1ccccc1)C(C(=O)OC)=C(CC)N=2	409045853	IZIIQWFMBDVEOM-INJUALFYSA-N	506.580	2.740	0	40	KFAB	
Cc1cc(OC[C@]2(CC(=O)N3CCOCC3)CN(C(=O)CCCn3cccn3)CCO2)ccc1Cl	585284918	KDWGLQXUFSFRNZ-VWLOTQADSA-N	505.015	2.551	0	40	KFAB	
CC1(C)CC2(CC(C)(C)N1)OC(=O)N(CCN1C(=O)OC3(CC(C)(C)NC(C)(C)C3)[C@]1(C)O)[C@@]2(C)O	969648	WXAHUZVBJCOTTE-ZEQRLZLVSA-N	510.676	2.667	0	40	KFAB	
CCOc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(Cc2ccc(OC)cc2)C(=O)c2snc(C(N)=O)c2N)cc1	6601415	CKSRHXMNPRMCAA-URXFXBBRSA-N	567.668	2.910	0	40	KFAB	
COc1ccc(CCN[C@@H]2CC(=O)N(c3ccc(N4C(=O)C[C@@H](NCCc5ccc(OC)c(OC)c5)C4=O)cc3)C2=O)cc1OC	8412280	MRAUUQSGJNBZQT-CLJLJLNGSA-N	630.698	2.649	0	40	KFAB	
CCOC(=O)c1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2NCC(C)C)cc1	13525059	QISGPFNBOQWZFF-UHFFFAOYSA-N	525.649	2.753	0	40	KFAB	
COc1ccc(C[C@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1	13565656	GGFUWLUGYHTZTN-QFIPXVFZSA-N	527.565	2.731	0	40	KFAB	
O=C(C[C@@H](NCc1ccccc1)C(=O)O)Nc1ccc(NC(=O)C[C@@H](NCc2ccccc2)C(=O)O)cc1	16778906	XTPONWZFHNDLOE-DNQXCXABSA-N	518.570	2.830	0	40	KFAB	
O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	22247097	OXVLJDRJLJTQMA-XMMPIXPASA-N	525.602	2.788	0	40	KFAB	
CC(=O)c1ccc(OCCCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1	32910647	FWMNEYDCTKHQKR-UHFFFAOYSA-N	516.616	2.741	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3OC)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1	100263028	GCMADUSEPXWWKK-YJADQXIJSA-N	554.621	2.841	0	40	KFAB	
C[C@@H](Sc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cn1)C(=O)Nc1ccc(C(N)=O)cc1	102904159	ZQGZBKKDSBKGFW-LJQANCHMSA-N	539.683	2.806	0	40	KFAB	
C[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	224097101	GWTMBDFWISIZLX-HXUWFJFHSA-N	529.659	2.742	0	40	KFAB	
Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCCOc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)cc1	224319467	NBDBRELPXQYCSW-UHFFFAOYSA-N	549.715	2.517	0	40	KFAB	
CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1	224421098	KHWMWBSJFPRKNO-DEOSSOPVSA-N	553.703	2.610	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	225440427	LOQIDMVWMBWQQU-RTBURBONSA-N	503.621	2.556	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	225543879	GKABLCDVOWIXFV-XMMPIXPASA-N	519.623	2.916	0	40	KFAB	
COC(=O)c1cc(NC(=O)C[C@@H]2C(=O)N[C@H]3CCCC[C@H]3N2C(=O)c2ccccc2OC)cc(C(=O)OC)c1	250396742	JLLAAUQOIIXJFF-BHDDXSALSA-N	537.569	2.549	0	40	KFAB	
COc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1S(=O)(=O)NCc1ccccc1	408679991	XLBBKGKRLNKPRO-UHFFFAOYSA-N	523.611	2.860	0	40	KFAB	
COCC(=O)N1CCN(Cc2cccc(OCCN3CCCC3)c2)C[C@@](O)(COc2ccc(F)c(F)c2)C1	585280997	UYGGWJHUWBWJDZ-NDEPHWFRSA-N	533.616	2.540	0	40	KFAB	
CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@](=O)(O)C(Cl)(Cl)P(=O)(O)O)[C@H](O)[C@@H]1O	616567865	PAEBIVWUMLRPSK-RTOGKPCTSA-N	776.366	2.851	0	40	KFAB	biogenic
CN1CC(=O)N[C@H](Cc2ccccc2)COc2ccccc2C(=O)N[C@H](C(=O)NCCOc2ccc(Cl)cc2)CC(=O)N2CCC[C@H]2C1=O	643574574	AYBJEPQLKNNHRR-POLDFPFKSA-N	690.197	2.593	0	40	KFAB	
COc1ccccc1CNC(=O)CN1CC[C@@H]2NC(=O)[C@@H](Cc3ccccc3)NC(=O)C3(CC=CC[C@@H]2C1)CCOCC3	1615129822	WYPZMWKPYNHESD-SSBOKUKZSA-N	588.749	2.992	0	40	KFAB	
CCOC(=O)N1CCN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OCC)c(C)c2)CC1	10301733	IEXGXPVVQDEJIW-UHFFFAOYSA-N	503.621	2.885	0	40	KFAB	
COc1ccc(CCN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccncc2)cc1OC	17376540	ZCFPVQZTCBOCCJ-RNWIMVQKSA-N	558.639	2.951	0	40	KFAB	
Cc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc3c(c2)OCCO3)cc1	38145862	LEEGEPYAIONGQW-MBSDFSHPSA-N	551.625	2.587	0	40	KFAB	
COc1ccc(S(=O)(=O)NCCC(=O)N2CCCCC2)cc1N(C)S(=O)(=O)c1ccc(Cl)cc1	102415852	VGWZPERYAQYBMS-UHFFFAOYSA-N	530.068	2.855	0	40	KFAB	
CCOc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)cc2)C(C(=O)OC)=C(C)N=3)ccc1OC(C)=O	102643009	WPSUWQJBFUPTES-PNZYDNNZSA-N	550.589	2.658	0	40	KFAB	
C[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O	224380150	RWWBKLPHZCVEGK-SFHVURJKSA-N	544.095	2.864	0	40	KFAB	
COc1cccc(CN(C(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)C)c1	225659963	RKYNWDDFUSNXLX-IBGZPJMESA-N	533.647	2.912	0	40	KFAB	
CCOc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc(I)c1OCc1ccc(C(=O)O)cc1	408595965	YHICHNYEMUCYAN-LZYBPNLTSA-N	566.304	2.944	0	40	KFAB	
COC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3O)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC	408945909	OHBZMWJZKJYPLL-JZVSFUAJSA-N	500.960	2.784	0	40	KFAB	
O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)NCCN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O	604406347	NFIOGBVHLTZTQB-VDZJOXJSSA-N	551.647	2.979	0	40	KFAB	biogenic
O=C(CN1CCC2(CCCCc3ccccc3OCCNC2=O)CC1)NC[C@@H](c1cccnc1)N1CCOCC1	643558963	XKGIJYQUNPQKEX-MHZLTWQESA-N	549.716	2.575	0	40	KFAB	
COCC(=O)N1CCCN(C(C)C)CCN(C(=O)CCNS(=O)(=O)c2c(C)noc2C)Cc2ccc(Cl)cc21	643565030	BXNPSLNESRNPLT-UHFFFAOYSA-N	584.139	2.736	0	40	KFAB	
CCS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)c2)nn1	9626937	YOUVBTUOHLCLGL-UHFFFAOYSA-N	500.602	2.974	0	40	KFAB	
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)cc2)C1	13138198	MOTHWNJSGXNTPC-RTBURBONSA-N	521.661	2.626	0	40	KFAB	
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(Cl)cc3)CC2)N[C@@H]1c1ccc(OC)cc1OC	19817890	MCLFVRKXEOBTIZ-FCHUYYIVSA-N	500.983	2.886	0	40	KFAB	
NC(=O)c1nsc(C(=O)N(Cc2ccccc2Cl)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(O)cc2)c1N	38145028	ZDUMZIRLKIBJGQ-UWJYYQICSA-N	544.033	2.862	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O	222874756	DKOIPIIGWJRBRM-DSNGMDLFSA-N	503.599	2.722	0	40	KFAB	
CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O	223401347	ZGKBEYFZEZFXKI-OAQYLSRUSA-N	519.620	2.524	0	40	KFAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)OCO4)c(=O)n2[C@H]1c1cc(OC)ccc1OC	409099803	LRHBOXDONAJKCP-ITIZVALFSA-N	535.622	2.850	0	40	KFAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCOc2ccc(OC)cc2)CC(=O)N(Cc2ccccc2)CC1=O	643570939	ZPFGWNHFRPNFMW-NDEPHWFRSA-N	602.688	2.649	0	40	KFAB	
CCn1c(SCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)nnc1-c1cnccn1	2447919	OJUVNMFRIBXBGO-UHFFFAOYSA-N	525.620	2.693	0	40	KFAB	
CCOC(=O)C(=O)c1csc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3ccc(F)cc3)cc2)n1	3241709	WUEWBOJGWIPHFF-UHFFFAOYSA-N	521.548	2.871	0	40	KFAB	
COc1ccc(C(=O)[C@H](OC(=O)CNC(=O)CNS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1	10041921	MYVUPDSHFSDZEI-AREMUKBSSA-N	510.568	2.566	0	40	KFAB	
CC[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O	13714478	SAEZXVRBHJWZDN-HXUWFJFHSA-N	516.041	2.544	0	40	KFAB	
COc1ccc(N2C(=O)NC(=O)[C@](Cc3ccc4c(c3)OCO4)(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)C2=O)cc1	70669782	NTWGEIYDHYAVDJ-ICYRDHFCSA-N	570.602	2.517	0	40	KFAB	biogenic
CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	223018743	JTCTVDUBPBFXST-KRWDZBQOSA-N	568.490	2.930	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCOc3ccc(S(=O)(=O)N(C)C)cc3)cc2)cc1	224215667	FSQYSCLQTRUCRG-UHFFFAOYSA-N	531.656	2.879	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	225444480	GQXLGKXHIPGMPV-WOJBJXKFSA-N	506.644	2.813	0	40	KFAB	
COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc(-c4nc(C)cc(=O)[nH]4)c3)C2)c1	226050446	XPQJOLYCVGADMQ-GOSISDBHSA-N	512.588	2.802	0	40	KFAB	
CC(C)NC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4cccs4)C[C@H]3C(=O)NC[C@H]1O2	253394507	BDYHODLWLWFMSO-FKIWKMFDSA-N	569.728	2.597	0	40	KFAB	
COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc4c(c3)n(C)c(=O)n4C)cc2)cc1OC	408630593	VJBWFWXCQPWXSK-UHFFFAOYSA-N	510.572	2.972	0	40	KFAB	
COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1C(=O)N1CCOCC1	408693162	JSSHTPLTVJFAIE-UHFFFAOYSA-N	537.660	2.533	0	40	KFAB	
CCOc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1S(=O)(=O)N1CCCC1	408697479	JRAQDPBBXOENNI-UHFFFAOYSA-N	501.605	2.557	0	40	KFAB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(O)c(OC)c3)c2=O)=N[C@H]1c1ccc(O)c(OCC)c1	408733050	VDUQWSZHXUJTSK-JUTHHCEFSA-N	510.568	2.726	0	40	KFAB	
CCOC(=O)CN1C(=O)S/C(=C/c2cc(OCC)c(OCC(=O)OC)cc2Br)C1=O	408917787	BDBUJNIRUQIYAV-VIZOYTHASA-N	502.339	2.999	0	40	KFAB	
COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)cc1Br	1262670	IMFLZDRDABLIQV-UHFFFAOYSA-N	527.466	2.666	0	40	KFAB	
CCOC(=O)C1=C(N)n2c(s/c(=C\c3ccc(C)cc3)c2=O)=C(C(=O)OCC)[C@H]1c1ccc(C)cc1	1773713	XKLBQSKELPQYFC-LDVBQKTRSA-N	504.608	2.557	0	40	KFAB	
COc1cccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(c3c(Cc4ccccc4)c(C)nc4ncnn34)CC2)c1	8690194	KBYXWUAKOCADOK-HHHXNRCGSA-N	541.656	2.865	0	40	KFAB	
O=C(NCC(=O)N(Cc1ccc2c(c1)OCO2)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccccc1)c1ccco1	12485688	CDBQEQQWTPAVCL-QFQXNSOFSA-N	519.554	2.803	0	40	KFAB	
COc1ccc(C(=O)OCC(=O)Nc2nc(-c3ccccc3)cs2)cc1S(=O)(=O)N1CCOCC1	12614006	MEBBJMOKCAOVFG-UHFFFAOYSA-N	517.585	2.635	0	40	KFAB	
CCN(C(=O)COC(=O)c1cc2ccccc2cc1OC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	32666490	KNWJQYRTTHDBIC-UHFFFAOYSA-N	502.527	2.539	0	40	KFAB	
Nc1nnc(SCC(=O)Nc2ccc3c(c2)-c2cc(NC(=O)CSc4nnc(N)s4)ccc2S3(=O)=O)s1	102524817	XASCKSAWGZDWBR-UHFFFAOYSA-N	592.735	2.829	0	40	KFAB	
CCOC(=O)CC[C@H](N[P@@](=O)(OC)[C@H](C)NC(=O)CCCCN1C(=O)c2ccccc2C1=O)C(=O)OCC	103218788	QLPMYTASQFPPNX-RWUUWUGOSA-N	553.549	2.619	0	40	KFAB	
CCOC(=O)[C@H]1[C@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C\c3ccc(OC(F)F)c(OC)c3)c(=O)n12	105405727	PRFFIEARIFXACY-UGCKSXPISA-N	516.522	2.859	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C	223014997	DCUNSZMPPRKQJC-KRWDZBQOSA-N	525.469	2.615	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223063713	BRSKHDDGFMJLFU-MRXNPFEDSA-N	554.463	2.540	0	40	KFAB	
O=C(NCc1cccc(CN2CCOCC2)c1)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1	224732047	SBRNDJSNEHLYMY-HHHXNRCGSA-N	521.639	2.933	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	225186702	IKPKAFZLDYMLND-QGZVFWFLSA-N	507.584	2.654	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O	225479039	XQRGBCFJNQMKDE-QGZVFWFLSA-N	510.454	2.995	0	40	KFAB	
CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225711697	PJKBZMBYXVFEQF-NRFANRHFSA-N	503.621	2.556	0	40	KFAB	
Cc1cc(C(=O)N2CC[C@H](Oc3cccc(Br)c3)[C@@H](CC(=O)N3CCN(C)CC3)C2)on1	257298203	RKPZHYVRZCKPKG-PXNSSMCTSA-N	505.413	2.819	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCCC4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1OC	409153036	CKDLUQBJYSSPDH-NAIWQIQESA-N	621.712	2.825	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	409158638	XTDVVQCHUCFXGG-OXDPQRGISA-N	665.765	2.842	0	40	KFAB	
CC(C)C[C@H]1NC(=O)C[C@@H](C(=O)NCCOCc2ccccc2Cl)NC(=O)c2ccccc2OCCN(C)C1=O	643578613	ALQWHYPDEFHFHV-BJKOFHAPSA-N	573.090	2.543	0	40	KFAB	
CC(=O)N[C@H](C(=O)N1CC[C@@H]2NC(=O)[C@H](Cc3ccccc3)NC(=O)C3(CC=CC[C@H]2C1)CCOCC3)[C@@H](C)OC(C)(C)C	2037829047	HPSRZSHLKHSGCH-CABIFEKBSA-N	610.796	2.902	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)O)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	2174535	BMTURKGMUDTJQK-AOLPSBPOSA-N	552.605	2.669	0	40	KFAB	
Cc1ccccc1-n1c(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)nc2sc3c(c2c1=O)CCCC3	3356044	ZKKBDCXQUOQARJ-UHFFFAOYSA-N	523.640	2.589	0	40	KFAB	
NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H]1CN(C(=O)c2cccc(F)c2)CCN1C(=O)c1cccs1	4277899	FMMLYFJZOLWFAY-LEWJYISDSA-N	514.623	2.795	0	40	KFAB	biogenic,in-vitro
CCCCOC(=O)[C@H](C)OC(=O)[C@H](C)OC(=O)CCCCC(=O)O[C@H](C)C(=O)O[C@@H](C)C(=O)OCCCC	4896100	VSCKCJFDUFVCNU-LWYYNNOASA-N	546.610	2.960	0	40	KFAB	
CC1(C)[C@H](C(=O)N(Cc2ccco2)C2(C(=O)NC3CCCCC3)CCCCC2)N2C(=O)C[C@@H]2S1(=O)=O	8876514	XSASMXYTKLTUCW-VXKWHMMOSA-N	519.664	2.894	0	40	KFAB	biogenic
COc1ccc(CN2CCN([C@H](c3cc4ccc(OC)cc4[nH]c3=O)c3nnnn3C[C@H]3CCCO3)CC2)cc1	22867616	KFQACXKXNOWHEG-SHQCIBLASA-N	545.644	2.618	0	40	KFAB	
NC(=O)N[C@@H](CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)c1cccc(Br)c1	32992628	BPDCMOMMVPRDEH-PCLFDXGNSA-N	521.437	2.694	0	40	KFAB	
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5C)sc4n3)CC2)cc1	101510848	SIAYAVMZKASBQQ-UHFFFAOYSA-N	538.655	2.591	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O	222555535	QJFLKNQGYQEKAQ-AWEZNQCLSA-N	502.420	2.931	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCC2)cc1	224063398	AXQOEPHGEJJGFH-IBGZPJMESA-N	545.658	2.709	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC[C@@](COc3ccccc3)(CC(=O)N3CCN(C)CC3)C2)cc1	257281563	OPWIUELPNUDOHI-AREMUKBSSA-N	501.649	2.709	0	40	KFAB	
COc1ccc(OC)c(N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c1	260987133	PFDPXENBWYLEES-GOSISDBHSA-N	505.637	2.802	0	40	KFAB	
CC(C)CCO[C@@H]1CN(C(=O)c2ccccc2F)CCN(C(=O)c2cncs2)CCCCOC[C@@H](O)[C@H]1O	643586454	DMKCBKKNWYKAEY-VDKIKQQVSA-N	551.681	2.830	0	40	KFAB	
Cc1oncc1C(=O)N1CC[C@@H]2NC(=O)[C@@H](Cc3ccccc3)NC(=O)C3(CC=CC[C@@H]2C1)CCOCC3	1615106662	JSMUPZOYXYUCQA-PZUNEJSGSA-N	520.630	2.804	0	40	KFAB	
O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl)c1ccc2c(c1)OCCO2	3314219	VJKSQDKDRXVWBY-UHFFFAOYSA-N	516.355	2.825	0	40	KFAB	
CCOC(=O)C12C(C)=CC(C)([C@H]3C(=O)N(c4ccc(OC(C)=O)cc4)C(=O)[C@@H]31)[C@@H]1C(=O)N(c3ccc(OC(C)=O)cc3)C(=O)[C@H]12	8397148	BVJDYHYRDSMKSB-FDEZPYKXSA-N	614.607	2.978	0	40	KFAB	
COc1ccc(NC(=O)[C@H](c2csnn2)N(Cc2cccnc2)C(=O)CN2C(=O)c3ccccc3C2=O)c(OC)c1	8695979	FXRZZHASTHMWHY-VWLOTQADSA-N	572.603	2.955	0	40	KFAB	
Cn1c(=O)[nH]c(=O)c2c1nc(NCCc1ccccc1)n2C[C@H](O)COc1ccc(Cl)cc1Cl	10386363	VRPDAIIMBAWPSB-INIZCTEOSA-N	504.374	2.825	0	40	KFAB	
COCCn1c(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)nc2ccccc2c1=O	12539419	UPBGVKPSXZQLFV-UHFFFAOYSA-N	502.618	2.558	0	40	KFAB	
O=C(Nc1ccc(Cl)c(Cl)c1)OCCNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1	12631805	XPRITEIOYDGABV-UHFFFAOYSA-N	502.376	2.993	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1	12909559	LRMXVPUJQHTYIZ-QGZVFWFLSA-N	516.645	2.865	0	40	KFAB	
CC[C@H](SC1=Nc2ccccc2C2=N[C@@H](CCC(=O)NCc3ccco3)C(=O)N12)C(=O)NCCCOC	20642943	QKOVIKMAYVQOFX-SFTDATJTSA-N	525.631	2.999	0	40	KFAB	
COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1	59838640	RMCHYEBXVLZEOE-QFIPXVFZSA-N	549.715	2.895	0	40	KFAB	
CNC(=O)c1c(I)c(C(=O)O)c(I)c(N(C)C(C)=O)c1I	97978944	RSYPDFSNPVTGBJ-UHFFFAOYSA-N	627.942	2.541	0	40	KFAB	in-vitro
CCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O	225400610	MCPLXFVYVUGNIU-HSZRJFAPSA-N	505.637	2.803	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@H](NC(=S)Nc2ccc(Oc3ccccc3)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	254696508	RPGZUPIDELFEPL-DQUFFZNGSA-N	574.608	2.848	0	40	KFAB	
NC(=O)C[C@@]1(COc2cccc(Cl)c2)CN(Cc2ccccc2OCCN2CCCC2=O)CCO1	257240805	HVGRURGEKKIYIX-SANMLTNESA-N	502.011	2.867	0	40	KFAB	
COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)N(C)Cc3cc(OC)c(OC)c(OC)c3)C2)c1	260752561	YUHSMGGLNQOZFH-SFHVURJKSA-N	522.620	2.789	0	40	KFAB	
Cc1cccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)N4CCOCC4)cc3Cl)CC2)c1C	408604151	LCSSKBLRLSHHQR-UHFFFAOYSA-N	508.040	2.705	0	40	KFAB	
CCOC(=O)COc1ccccc1/C=c1/sc2n(c1=O)[C@H](c1ccc(OCC)c(OCC)c1)C(C(=O)OC)=CN=2	408942790	LGZJRACOKRXTHI-KMBIYUNPSA-N	566.632	2.757	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(F)cc3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409035778	QPVNTVFAUMQXBR-QDNAUZDWSA-N	554.596	2.888	0	40	KFAB	
Cc1c(C(=O)N2CCO[C@]3(CCCCc4ccccc4OCCNC3=O)C2)nnn1-c1ccccc1F	643555913	FCVPNQJKEGIYLB-HHHXNRCGSA-N	507.566	2.848	0	40	KFAB	
CCN(CC)C(=O)C[C@@H]1CCN2C[C@@H]1C=CCOc1ccccc1CN(C(=O)N1CCOCC1)CC2=O	958317823	PVOKPKGGGKFMRY-GOTSBHOMSA-N	512.651	2.613	0	40	KFAB	
CC(=O)N[C@@H]1CC(=O)[C@]23C(=O)N[C@H](Cc4c[nH]c5ccccc45)[C@@H]2C(C)=C(C)[C@H](O)[C@@H]3C=CC[C@H](C)C=C(C)[C@H](O)[C@H]1O	958322869	FOADMCJCIRJHTO-UAGYLLKQSA-N	589.733	2.867	0	40	KFAB	
CN(C)c1ccc(-c2ccnc(N[C@H]3CO[C@@H]4[C@@H](NS(=O)(=O)c5cccc6cccnc56)CO[C@H]34)n2)cc1	5397930	ILRJINKYFGFRSK-CNXCYTMISA-N	532.626	2.683	0	40	KFAB	biogenic,in-vitro
CC(=O)OC[C@@H]1O[C@@H](n2c(=S)n(-c3ccccc3)c(=O)c3ccccc32)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	5732248	BZILQTWEGVOAIP-HOMAGXEVSA-N	584.603	2.777	0	40	KFAB	
O=C(CSc1nnc2c(Cl)cc(Cl)cn12)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	13109924	CDRXXBUNKWFTHJ-UHFFFAOYSA-N	502.405	2.788	0	40	KFAB	
COc1ccccc1N1CCN([C@H](c2cc3cc4c(cc3[nH]c2=O)OCO4)c2nnnn2C(C)(C)C)CC1	20084282	FAGQMIVLSLKXNR-XMMPIXPASA-N	517.590	2.919	0	40	KFAB	
CNC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)sc2c1CCN(C(C)C)C2	38139093	ZQGHTCXIDXWARA-CALCHBBNSA-N	534.704	2.924	0	40	KFAB	
O=C(CCNS(=O)(=O)c1ccccc1C(F)(F)F)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1	38152770	CXDIHBSCTRWOGU-UHFFFAOYSA-N	539.985	2.560	0	40	KFAB	
O=C(CN1N=C(c2nc(-c3ccc4c(c3)OCO4)no2)CCC1=O)N1CCN(c2ccccc2Cl)CC1	72329743	GLQRJRZDRMERDZ-UHFFFAOYSA-N	522.949	2.794	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(Br)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	100534129	DGJGCLHPJVCYEN-YOGOOIESSA-N	543.395	2.995	0	40	KFAB	
COC(=O)Cc1c(C(=O)OC)sc2nc(CN(C)CC(=O)Nc3ccccc3C(F)(F)F)[nH]c(=O)c12	102903731	YPPFDZYTUPVJSK-UHFFFAOYSA-N	526.493	2.576	0	40	KFAB	
C[C@@H](C(=O)NCc1cccnc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222779714	JBSPQGVTDLVLAE-NRFANRHFSA-N	587.098	2.868	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)Nc1cc(S(=O)(=O)NC(C)C)ccc1OC	223496219	NECLWGZCPKOJSJ-UHFFFAOYSA-N	539.676	2.746	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1	224225897	FDVFYXFSPKBHKW-UHFFFAOYSA-N	503.602	2.547	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCc1nc(-c2cccc(Cl)c2)no1	225268059	QHSTVMVMFMFCDH-UHFFFAOYSA-N	520.995	2.669	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O	225482875	QUJHWKJWNZOJSB-AWEZNQCLSA-N	608.296	2.983	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1	225569171	PEFYCEMBILFASA-UHFFFAOYSA-N	507.634	2.907	0	40	KFAB	
CS(=O)(=O)N(CC(=O)N(Cc1ccccc1)[C@H](C(=O)NCCN1CCOCC1)c1ccccc1)Cc1ccccc1	260719646	KYCOCMKDRKEBCO-PMERELPUSA-N	578.735	2.667	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)[C@H](C)C(=O)NC(C)(C)C)cc1	260752633	DDJUPRBISMWBRS-GOSISDBHSA-N	522.643	2.779	0	40	KFAB	
COc1cccc(N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c1	260811466	SEDTUBUZYDTFRL-HXUWFJFHSA-N	501.649	2.980	0	40	KFAB	
CCOc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1	408596406	YXCJCSLTDIYYEE-LZYBPNLTSA-N	583.310	2.824	0	40	KFAB	
CC(=O)c1cccc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c1	409025579	TUJDRGZPIWHLOD-DEOSSOPVSA-N	527.624	2.592	0	40	KFAB	
CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OC)n2c(s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)c2=O)=N1	409151910	IOYFCOHXRLONAQ-BFOKUZPWSA-N	635.739	2.833	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)N4CCOCC4)cc3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC	409155562	LRZPMFAXGOGBOO-LKWZWFHSSA-N	612.104	2.698	0	40	KFAB	
CC(=O)N1CCN(Cc2cccc(OCCCN3CCCC3=O)c2)C[C@@](O)(COc2ccc(C)cc2)C1	585270940	DSCZYTHOEPMKMO-LJAQVGFWSA-N	509.647	2.861	0	40	KFAB	
COc1cc([C@H](CC(=O)NC[C@H](c2ccccc2)N2CCN(C)CC2)c2oc(C)cc(=O)c2O)ccc1O	604405152	XLJNRWBCEVEUGD-XZOQPEGZSA-N	521.614	2.995	0	40	KFAB	biogenic
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[C@H]3[C@]2(C)[C@@H](O)[C@]34O[C@@H](C[C@H](C)[C@H]3[C@@]12C)[C@@H](C(C)(C)O)O4	2060993477	HZIBYJCDCHVSPK-XSPMZLCDSA-N	678.860	2.663	0	40	KFAB	
COc1cccc(-c2nnc(SCC(=O)Nc3ccc(S(=O)(=O)Nc4cc(C)nc(C)n4)cc3)n2N)c1	2361089	OOOFOMVVXSPMAX-UHFFFAOYSA-N	540.631	2.606	0	40	KFAB	
CC(C)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)c2C(N)=O)C1	4177788	VDUBBDLCBOVYQY-HOTGVXAUSA-N	520.677	2.664	0	40	KFAB	
Cc1csc(SCc2cc(=O)c(OC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)co2)n1	9739792	WQKWBTKWRAVIPX-UHFFFAOYSA-N	508.599	2.937	0	40	KFAB	
Cc1cc(C)cc(C(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)c1	12497874	RHEHNCQRLJMKGR-UHFFFAOYSA-N	501.605	2.720	0	40	KFAB	
CSCC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)O[C@H](C)C(=O)N1CCN(C(=O)c2ccco2)CC1	12634959	VNWBAEVBWFWGKT-VQIMIIECSA-N	522.023	2.701	0	40	KFAB	
CCn1cc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c(=O)c2ccc(C)nc21	12661083	JGBXJLLTNLQPTA-UHFFFAOYSA-N	512.588	2.695	0	40	KFAB	
CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)CC2)cc1	13114449	BLPIJVZJFVBKLN-HXUWFJFHSA-N	525.675	2.943	0	40	KFAB	
Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(c3cccc(Cl)c3)CC1)n2CCCSc1nnnn1-c1ccccc1	97987807	BPCZVBDLFLUEII-UHFFFAOYSA-N	579.090	2.561	0	40	KFAB	
CCCN1C(=O)/C(=c2\sc3n(c2=O)[C@@H](c2ccc(OC)c(OC)c2)C(C(=O)OC)=C(C)N=3)c2ccccc21	100725621	MMKRVFRWAPOJQH-FEYWKWKCSA-N	533.606	2.552	0	40	KFAB	
O=C(O)CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]2C1=O)[C@@H]1[C@H](c2ccc(Br)cc2)c2sc(=O)[nH]c2S[C@H]31	100864133	BKXAIHBEWJHDDZ-BDPQLWMOSA-N	521.414	2.757	0	40	KFAB	
COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]2[C@H]2C[C@H]3[C@@H]3C(=O)N([C@H](C(=O)O)C(C)C)C(=O)[C@H]23)ccc1O	100872321	DNCGAAGWWHHLHQ-ZUCXQZFPSA-N	530.624	2.733	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	222748941	VRWSOFWSDBSKBI-AWEZNQCLSA-N	532.446	2.940	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C	222759678	YDHLVNMIQJEOPV-OAHLLOKOSA-N	501.436	2.770	0	40	KFAB	
CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	222834228	MFBMAACGYSUNFM-QHCPKHFHSA-N	547.674	2.955	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	223462439	SFKWAQOHFGEGTE-GOSISDBHSA-N	501.605	2.563	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NCC(C)C)c1ccc2c(c1)OCCO2	224098221	MBOZPHLUVARUCH-FQEVSTJZSA-N	517.648	2.803	0	40	KFAB	
CS(=O)(=O)N1CCC2(C/C=C/COc3ccccc3C(=O)NC[C@@H](Cc3ccccc3)NC2=O)CC1	257235176	GWTNRPKPXYGJIL-VQKOGROQSA-N	511.644	2.524	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1	409162623	GLRYLUJKTXUAOJ-WALVNQSHSA-N	582.078	2.689	0	40	KFAB	
O=C(CN1C(=O)N/C(=C\c2ccc(OCC(=O)N3CCOCC3)c(Br)c2)C1=O)Nc1ccc(Br)cc1	409381076	DRGNGLAIQDNLCV-UNOMPAQXSA-N	622.270	2.981	0	40	KFAB	
NC(=O)C[C@H](c1cc(F)c(F)c(F)c1)c1oc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c1O	524734329	UAKKUNKSBFIJSZ-UKPHBRMFSA-N	515.488	2.551	0	40	KFAB	
O=C(Nc1ccc(OCC2=NCCN2)cc1)c1ccc(C(=O)Nc2ccc(OCC3=NCCN3)cc2)cc1	1698596	YOEKJCCSRIYXEZ-UHFFFAOYSA-N	512.570	2.952	0	40	KFAB	
CC(C)(C)NC(=O)CN(C(=O)C[S@@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1ccc(F)c(Cl)c1	6074316	IBBMLVPGXXRICI-PGUFJCEWSA-N	525.986	2.843	0	40	KFAB	
COc1cc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCC2)c2ccco2)ccc1S(=O)(=O)N1CCOCC1	6907006	PWODLSCZIIQJOS-GDLZYMKVSA-N	622.704	2.887	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@@H](C(=O)NC[C@H]3CCCO3)c3ccco3)n2)cc1	7060897	UJWZFXGDUXASTI-HYBUGGRVSA-N	520.546	2.600	0	40	KFAB	
COC(=O)C1=C(N)OC(C)=C(C(=O)OC(C)C)[C@]12C(=O)N(CC(=O)OCc1ccccc1)c1ccccc12	9695464	ATAYBHPALYEHRF-NDEPHWFRSA-N	520.538	2.614	0	40	KFAB	
COc1ccc2cc(CN(Cc3ccc4c(c3)OCO4)C(=S)NCCCN3CCOCC3)c(=O)[nH]c2c1	19824766	DJFWGTOKQWZKAH-UHFFFAOYSA-N	524.643	2.864	0	40	KFAB	
COc1ccccc1CNC(=O)[C@H](C)NC(=O)C1CCN(C(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)CC1	38140335	OOXFYQVRTMCLBW-RXVVDRJESA-N	550.722	2.701	0	40	KFAB	biogenic
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC)c(OC)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	59418607	WOSUGPXLGRKOTH-IZBTWGKQSA-N	522.579	2.934	0	40	KFAB	
O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1cccc(Cl)c1	67890438	YRITVNVGTBLMOO-CLAROIROSA-N	528.959	2.792	0	40	KFAB	biogenic,in-vitro
COCCN(C(=O)COC(=O)/C=C/c1ccc(Cl)c(Cl)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	72139863	SHFYAJACXNPIOQ-CSKARUKUSA-N	547.395	2.710	0	40	KFAB	
O=C(COC(=O)CNS(=O)(=O)/C=C/c1ccccc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1	97980065	FSUNIVJTKKWXAQ-MDWZMJQESA-N	527.521	2.614	0	40	KFAB	
O=C(CCCCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	100812736	XDYSVEJUWKFNFI-UHFFFAOYSA-N	550.656	2.693	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1	103021570	WTAMTOYZCLYCJS-UHFFFAOYSA-N	541.651	2.593	0	40	KFAB	
CCOC(=O)C1=C(CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2C2CCCC2)NC(=O)N[C@H]1C	103067101	BJCURMHWMZWFAC-KRWDZBQOSA-N	590.728	2.692	0	40	KFAB	
CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1Cl	214672468	JJMGKAZVEWDBLG-OQLLNIDSSA-N	503.360	2.830	0	40	KFAB	
CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(OC)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	222467224	OLXMYTXHPXHYIO-UTKZUKDTSA-N	501.605	2.562	0	40	KFAB	
COCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1	222720367	HQSJDXSBAVGJRA-JOCHJYFZSA-N	515.676	2.974	0	40	KFAB	
COCCNS(=O)(=O)c1ccc(OCC(=O)N2C[C@H](C(=O)NCCc3ccccc3)Oc3ccccc32)c(Cl)c1	222835839	KLQGJDOJOBOZQZ-AREMUKBSSA-N	588.082	2.797	0	40	KFAB	
CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	223136886	LDXJINLDKASDFK-IBGZPJMESA-N	510.012	2.778	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O	260915910	GCWDVXVXTAMTKT-OALUTQOASA-N	505.637	2.802	0	40	KFAB	
CCCCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccccc3Cl)C2)cc1	408661446	VVUGKTWHVZUTQT-QGZVFWFLSA-N	515.950	2.972	0	40	KFAB	
CC(C)COC(=O)N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O	408736302	AIGLTDDEAIZESU-NSHDSACASA-N	533.100	2.979	0	40	KFAB	
CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(C)N=3)cc1OC	408921308	BNLHTXUKEMVUKW-OFCKJYIJSA-N	566.632	2.757	0	40	KFAB	
CC(C)N1CC(=O)NCCCCCOc2ccc(CCC(=O)N3CCC(CCNS(=O)(=O)N(C)C)CC3)cc2C1	643577137	BCHMUARLOREVTE-UHFFFAOYSA-N	579.808	2.533	0	40	KFAB	
NC(=S)N[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1	4901144	GSDZPETYJHGMLP-WZYRSQIMSA-N	520.563	2.853	0	40	KFAB	
CC(=O)OC[C@H]1O[C@@H](n2c(=S)n(-c3ccccc3)c(=O)c3ccccc32)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	5732250	BZILQTWEGVOAIP-PUMXGNEJSA-N	584.603	2.777	0	40	KFAB	
COc1ccccc1N1CCN([C@H](c2cc3cccc(C)c3[nH]c2=O)c2nnnn2C[C@H]2CCCO2)CC1	19826412	LXLZRNZAUKKGDI-QFQXNSOFSA-N	515.618	2.922	0	40	KFAB	
C[C@@H](C(=O)NC(C)(C)C)N(C(=O)C[S@@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1ccc(F)cc1	19941175	WZYMUCAFZFVYKZ-KEKDSOFASA-N	505.568	2.578	0	40	KFAB	
CCCN1CCN([C@@H](c2cc3cc4c(cc3[nH]c2=O)OCO4)c2nnnn2Cc2ccc(F)cc2)CC1	20080952	CAENOKXBCNJEKE-DEOSSOPVSA-N	505.554	2.548	0	40	KFAB	
COC(=O)[C@]1(CCSC)N[C@H](c2ccccc2F)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21	20150779	XHKULFIEMQMMNF-UWHHFBIGSA-N	500.548	2.712	0	40	KFAB	
CC[C@H](c1nnnn1C[C@H]1CCCO1)N(CCCN1CCOCC1)Cc1cc2cc(C)ccc2[nH]c1=O	33937390	LIFWRMHDMRWOSF-ILBGXUMGSA-N	509.655	2.678	0	40	KFAB	
O=c1cc(CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nc2sc(-c3ccccc3F)nn12	41077470	UFXVZFKAAJLGHH-UHFFFAOYSA-N	503.556	2.603	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@H](C)N(c1cc(Cl)ccc1OC)S(C)(=O)=O	59852723	SQHGIDNVJKQLLR-HNNXBMFYSA-N	546.067	2.935	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	223026176	IITAOMVUKBRZIH-OAHLLOKOSA-N	522.421	2.537	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	223495775	ZUZOEXDFYLRQBO-GOSISDBHSA-N	519.620	2.524	0	40	KFAB	
CCOc1ccc(-c2noc(CNS(=O)(=O)c3ccc(SC)c(C(=O)N4CCOCC4)c3)n2)cc1	223610942	GKDPKOWIOKUIKY-UHFFFAOYSA-N	518.617	2.808	0	40	KFAB	
CC(C)(C)OC(=O)COc1cccc(C(=O)N[C@@H]2C[C@H](n3cnc4c(NCc5ccccc5)ncnc43)[C@H](O)[C@@H]2O)c1	257309013	TZDWHVPARRMEGN-GETZNYBYSA-N	574.638	2.624	0	40	KFAB	
CCOC(=O)c1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1	408679140	CFLOICWDAPLRCE-MIXHGWOXSA-N	516.550	2.763	0	40	KFAB	
O=C(C[C@]1(COc2cccc(Cl)c2)CN(C(=O)c2cnc3ccccc3n2)CCO1)N1CCOCC1	585287460	XGVSJCSMVZTHGW-AREMUKBSSA-N	510.978	2.822	0	40	KFAB	
CC(C)[C@@H]1NC(=O)C[C@@H](C(=O)NCC(C)(C)c2ccc(F)cc2)NC(=O)c2ccccc2OC[C@H](C)NC(=O)[C@@H](C(C)C)NC1=O	643573591	RVVCNSGVAFWVRT-MXRWHRKZSA-N	639.769	2.587	0	40	KFAB	
COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1S(=O)(=O)N1CCCCC1	38772743	HBIFBFXGELACKC-QGZVFWFLSA-N	527.690	2.971	0	40	KFAB	
COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C	70666000	XPIKJJTYHJXRKY-VJBMBRPKSA-N	636.743	2.761	0	40	KFAB	biogenic
C[C@@H](O)[C@@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)CC1)C(=O)O	70701607	OYDNEYNGSFYRIW-DCEDVJGZSA-N	565.667	2.859	0	40	KFAB	biogenic
CC(=O)Nc1ccc(N2C(=O)[C@H]3[C@@H](C)N[C@]4(C(=O)N(CC(=O)N5CCc6ccccc65)c5ccccc54)[C@@H]3C2=O)cc1	98006380	DWYLCFZEMJWYFF-SKFFSQODSA-N	563.614	2.574	0	40	KFAB	
COCCN(C(=O)CSc1nc2ccccc2c(=O)n1-c1cc(C)ccc1OC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	103083808	KCZMZAZIXIJANY-UHFFFAOYSA-N	628.711	2.955	0	40	KFAB	
CCOC(=O)[C@@H]1[C@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C\c3ccc(OC(F)F)c(OC)c3)c(=O)n12	105405722	PRFFIEARIFXACY-XOLNLMRBSA-N	516.522	2.859	0	40	KFAB	
O=c1cccc2n1C[C@H]1C[C@H]2CN(S(=O)(=O)c2ccc3c(c2)OCCOCCOc2cc(S(=O)(=O)N4C[C@@H]5C[C@H](C4)c4cccc(=O)n4C5)ccc2OCCOCCO3)C1	150350132	IMVHYSWWBHTDEG-RTNMLALUSA-N	864.996	2.888	0	40	KFAB	biogenic
CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O	223477601	JEPGWHYFLADDQH-IBGZPJMESA-N	510.454	2.811	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O	223492644	VVOQFKQHJKJPHN-IBGZPJMESA-N	505.637	2.803	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	224754413	UOIZDPTYJACDCI-LJQANCHMSA-N	505.637	2.722	0	40	KFAB	
COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O	408627440	MLRPATZCHNDYOF-UHFFFAOYSA-N	501.355	2.658	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(I)o3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409030984	GAVCKDMWDXYUMS-UQQMVDRBSA-N	652.463	2.946	0	40	KFAB	
O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)NCCN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O	604406346	NFIOGBVHLTZTQB-DGIFUFQNSA-N	551.647	2.979	0	40	KFAB	biogenic
CC(C)CN(C[C](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc(N)cc1	1560410199	JCLHOWQRYFQPAU-NLJWQWLVSA-N	546.666	2.919	0	40	KFAB	
Cc1cc(C)nc(SCCn2c(N3CCN(c4cccc(Cl)c4)CC3)nc3c2c(=O)n(C)c(=O)n3C)n1	1263948	SYTZAEGITXRMGN-UHFFFAOYSA-N	541.081	2.613	0	40	KFAB	
COc1ccc(-n2c(SCC(=O)N3CCOCC3)nc3ccc(I)cc3c2=O)cc1	2263801	ASWILFYCVISINQ-UHFFFAOYSA-N	537.379	2.950	0	40	KFAB	
C[C@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCc1cc(=O)oc2cc(Br)ccc12	3417737	IZXOHXMVHFNTAD-WLRWDXFRSA-N	530.780	2.980	0	40	KFAB	
CO[C@]1(C)O[C@@H](CNc2ccc(S(C)(=O)=O)cc2)[C@@H](CNc2ccc(S(C)(=O)=O)cc2)O[C@@]1(C)OC	68603721	GLHCQPXKTMZWJI-UEQSERJNSA-N	542.676	2.527	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1	97981546	HPZCTKWCLPQYFZ-UHFFFAOYSA-N	574.647	2.532	0	40	KFAB	
COCCn1/c(=N/C(=O)CSCC(=O)N2CCN(c3ccccc3)CC2)sc2cc(OC)ccc21	100825355	FCPZDTRINPKALZ-QPLCGJKRSA-N	514.673	2.867	0	40	KFAB	
O=C(c1ccc(F)c(F)c1)c1ccccc1C(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1	102799080	DGBGNURNBSAPQA-UHFFFAOYSA-N	556.591	2.574	0	40	KFAB	
COc1ccccc1C(=O)NN1C[C@H](C(=O)OCC(=O)Nc2ccc(Br)c(Cl)c2)CC1=O	138528941	UMFZSWREYMSXIZ-GFCCVEGCSA-N	524.755	2.786	0	40	KFAB	
CC(C)NS(=O)(=O)c1ccc(OCC(=O)N2C[C@H](C(=O)NCCc3ccccc3)Oc3ccccc32)cc1	222632511	OBUFOXOLUCISGJ-AREMUKBSSA-N	537.638	2.905	0	40	KFAB	
O=C(NCCCO)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	223078777	DUBIJODMXDANHM-LJAQVGFWSA-N	630.163	2.878	0	40	KFAB	
COC(=O)/C=C/CC/C=C/[C@H](OC)[C@H](O)[C@H](C)[C@H](O)/C(C)=C/[C@H](C)C(=O)CCC[C@H](CC(N)=O)CC(=O)O	225416134	RSNBAEGFNZIXPM-UYWPHXFNSA-N	539.666	2.713	0	40	KFAB	biogenic,in-vitro
CCS(=O)(=O)N(CC(=O)N(Cc1ccc(Br)cc1)[C@H](C)C(=O)NC)c1ccc2c(c1)OCCO2	260758643	LTBXCCHTZDWFSH-MRXNPFEDSA-N	554.463	2.540	0	40	KFAB	
CN(C)S(=O)(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)CC1	408712196	PWKFRIQCGMFSFR-UHFFFAOYSA-N	534.582	2.963	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)c(=O)n2[C@H]1c1ccc(SC)cc1	409158790	ZANDKKHLUHIULJ-DBLMTGOPSA-N	623.753	2.766	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OC)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	1212572	RMFQTRVRIOZJRM-ZRELAVNMSA-N	508.552	2.544	0	40	KFAB	
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)CC1	8918184	FRGRGMDEPLMNPV-SFTDATJTSA-N	505.612	2.682	0	40	KFAB	biogenic
CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(N4CCCS4(=O)=O)cc3)CC2)cc1	12700201	SASCWISWDQNMKF-LJQANCHMSA-N	505.662	2.887	0	40	KFAB	
CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(OC)cc3)N(CCN3CCOCC3)C2=S)cc1	33354462	AZFCHAIRDMCMCW-QHCPKHFHSA-N	540.642	2.535	0	40	KFAB	
CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cccc(C(F)(F)F)c1	60028507	OKBCEFYOQNJKBG-UHFFFAOYSA-N	529.522	2.701	0	40	KFAB	
CCCCN1CCN(C(=O)c2cn(CC)nc2S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)CC1	67338057	IWDGJCHZJSRBRP-UHFFFAOYSA-N	537.130	2.934	0	40	KFAB	
CC[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nnc(C)s3)CS[C@H]12)n1nc(C)c(Cl)c1C	97947835	ZJZIJNIHLGQSQC-WPKBUWHJSA-N	543.096	2.795	0	40	KFAB	
CS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc(Cl)c1Cl	224291431	HWRWTBUZXAUORY-UHFFFAOYSA-N	550.486	2.739	0	40	KFAB	
CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1cccc(Br)c1	408625616	VRSUGBNIUPLFNM-QGZVFWFLSA-N	510.410	2.763	0	40	KFAB	
COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Cl)c(Cl)c3)C2)c(OC)c1	408659415	SILGEKQRFMGMAQ-ZDUSSCGKSA-N	510.330	2.686	0	40	KFAB	
CCCC1=C(C(=O)OCC)[C@H](c2ccc3c(c2)OCO3)n2c(s/c(=C\c3ccc(OCC(=O)O)cc3)c2=O)=N1	408839859	CTKLILKNYXEQDB-VCDQAHEJSA-N	550.589	2.771	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(=O)O)cc3)c(=O)n2[C@@H]1c1cccc(OC)c1OCC	408912150	PDPRNEIXLREKSD-VOSMRYOYSA-N	522.579	2.904	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OC)c(OCCn3ccnc3C)c2)C[C@@](O)(COc2cc(F)cc(F)c2)C1	585275121	XMGRITXQSUVOAB-LJAQVGFWSA-N	574.625	2.658	0	40	KFAB	
CC(C)Cc1cc(C(=O)N2CCO[C@](COc3cccc(Cl)c3)(CC(=O)N3CCOCC3)C2)n(C)n1	585285824	MRXIDFNORHCXPW-AREMUKBSSA-N	519.042	2.811	0	40	KFAB	
Cc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@H](C(=O)NC[C@@H]3CCCO3)c3ccc(C)o3)n2)o1	888744	GTFUCRCXUYIQTB-MBSDFSHPSA-N	508.535	2.801	0	40	KFAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)c4c(Br)c(C(F)(F)F)nn4C)[C@H]3SC2)s1	2785124	MYAWRWVUDMJDSE-XLKFXECMSA-N	599.436	2.506	0	40	KFAB	
CSCC[C@H](N)C(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)[C@@H](N)CCSC)cc2)cc1	4792012	GBWOZPDATWATOA-PMACEKPBSA-N	510.707	2.557	0	40	KFAB	
CCOC(=O)CNC(=O)[C@H](c1c[nH]c2ccccc12)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(F)cc1	6546906	MZTGZYSZOZBNGZ-NRFANRHFSA-N	538.561	2.512	0	40	KFAB	
CCOC(=O)CNC(=O)[C@H](c1ccc(OCC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(C)ccc1C	6601361	RTVJJJOBZNJERZ-QHCPKHFHSA-N	553.641	2.907	0	40	KFAB	
COC(=O)[C@@]1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1	8234239	SFZVDNKTWPZIJG-ACNZYQHGSA-N	664.833	2.793	0	40	KFAB	biogenic,in-vitro
CCOC(=O)C1=C(N)Oc2cc(C)n(Cc3cccnc3)c(=O)c2[C@H]1c1cc(OC)c(OC)c(OC)c1	8964873	CMVRZAJBGVLZCI-OAQYLSRUSA-N	507.543	2.884	0	40	KFAB	biogenic
COc1ccc(C[C@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1	13565658	JKJAMHOMDSHNII-SANMLTNESA-N	509.628	2.865	0	40	KFAB	
CC(=O)OCC(=O)O[C@@H]1[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@]2(O)[C@H](OC(C)=O)[C@]2(C)[C@H]3CC(C)(C)C(=O)[C@@H]3C[C@@]1(OC(C)=O)[C@H]2OC(C)=O	28536309	GVQACOLUOBLBLO-SNKYJNNMSA-N	714.761	2.894	0	40	KFAB	biogenic,in-vitro
Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)cc1	59851787	NGPAZBWPMVTJML-UHFFFAOYSA-N	559.666	2.512	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3Cl)OCO4)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	97964089	YAXLPTWBQVZUTB-MEPVUFHQSA-N	526.954	2.909	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	222920703	LJNSUXGJZOKPGY-MRXNPFEDSA-N	510.012	2.778	0	40	KFAB	
CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	223477545	DUGARWCSTQKICK-HSZRJFAPSA-N	523.586	2.746	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O	224985846	CPKLLLWUXMHUHQ-UHFFFAOYSA-N	560.094	2.863	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225476592	OCCCSJXTDHDUOO-SIKLNZKXSA-N	517.648	2.946	0	40	KFAB	
Cc1n[nH]c(SCCNC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccccc2)n1	226016609	WEEHYSUMSZFFCK-UHFFFAOYSA-N	524.466	2.975	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCc3ccc(S(=O)(=O)N4CCCC4)cc3)C2)cc1C	226049012	HQWGHNLPLALEAC-JOCHJYFZSA-N	549.715	2.548	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)O)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1	408832822	RPAIBYGAYRCABK-BLJGQIRFSA-N	536.606	2.969	0	40	KFAB	
CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OCC(=O)OC)c(I)c2)C1=O	409241261	JWILIJHJSPXNNU-WOJGMQOQSA-N	563.348	2.937	0	40	KFAB	
CCOC(=O)CNC(=O)[C@@H](c1ccc2ncccc2c1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)cc1	6089344	QLZYDFQBQQKOPT-HSZRJFAPSA-N	546.609	2.748	0	40	KFAB	
CCOC(=O)CNC(=O)[C@@H](c1cccs1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(C)ccc1C	6546845	NAASFWIROVGVDO-LJQANCHMSA-N	515.617	2.570	0	40	KFAB	
CCOC(=O)C1=c2s/c(=C/c3cccc(OC)c3)c(=O)n2C(N)=C(S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(OC)c1	8444440	DBFIHASHGNEZHJ-IMKZUMICSA-N	604.706	2.826	0	40	KFAB	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)OCC(=O)Nc1cc(OC)cc(OC)c1)n2C	8686237	JVDLSUXGDJWBNA-UHFFFAOYSA-N	532.619	2.736	0	40	KFAB	
COc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N(C)C[C@H]4CCCO4)cc3)o2)c(OC)c1	11883300	ZGQORPHZWXXYJX-QGZVFWFLSA-N	502.549	2.806	0	40	KFAB	
COC(=O)c1cc(NC(=O)COc2ccc(Cl)cc2S(=O)(=O)N2CCCC2)cc(C(=O)OC)c1	19935487	LSIRSBKDVLRBCH-UHFFFAOYSA-N	510.952	2.715	0	40	KFAB	
CCCCOC(=O)c1ccc(NC(=O)COC(=O)CCS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	138782535	SBVGYXBOOAAAMS-UHFFFAOYSA-N	504.561	2.948	0	40	KFAB	
COc1cc(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)cc2ccccc12	150340761	WXZZXNOWSNDFIS-RRNXAADDSA-N	819.021	2.714	0	40	KFAB	
Cc1[nH]c(C)c([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1I	223128075	KUXIWIIDPORNNN-MOPGFXCFSA-N	511.433	2.936	0	40	KFAB	
O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1	226085640	YJURBEFSNYSANG-UHFFFAOYSA-N	557.694	2.687	0	40	KFAB	
CC(C)(C)OC(=O)COc1ccc(C(=O)N[C@H]2C[C@@H](n3cnc4c(NCc5ccccc5)ncnc43)[C@@H](O)[C@H]2O)cc1	257306077	SSUUKRGGFHFVLC-MRGHISEYSA-N	574.638	2.624	0	40	KFAB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(OCC(=O)N4CCOCC4)c(Br)c3)C2=O)o1	409401411	TUNBOOHZLWOCDW-YVLHZVERSA-N	627.242	2.922	0	40	KFAB	
COc1cc(CN(C)C[C@]2(O)CCN(c3cc(N(C)C)ncn3)C2)ccc1OCCN1CCC(C)CC1	585272113	JANNHPVETMVPKM-MUUNZHRXSA-N	512.699	2.735	0	40	KFAB	
CCOc1ccc(CCCNC(=O)[C@@H]2CC(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1OC	643565999	NOEVMAXBNMOYDI-NSOVKSMOSA-N	630.742	2.910	0	40	KFAB	
CCOC(=O)Cn1nnnc1CN(Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)cc(C)c2[nH]c1=O	926862	HJMGQYFJTMOHSL-UHFFFAOYSA-N	504.547	2.626	0	40	KFAB	
Cc1cc(NC(=O)COC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)ccc1Br	3359356	NMJLPLKFCUFAAC-UHFFFAOYSA-N	515.357	2.713	0	40	KFAB	
Cc1ccc(S(=O)(=O)c2nc(S(=O)(=O)c3ccccc3)sc2N2CCC(C(N)=O)CC2)cc1	9203294	XXKZVCBANRFBQB-UHFFFAOYSA-N	505.643	2.819	0	40	KFAB	
CC(C)(C)OC(=O)NCC(=O)N[C@H](CSC(c1ccccc1)c1ccccc1)C(=O)NCC(=O)O	16939486	BMTPPIWYWHUNON-LJQANCHMSA-N	501.605	2.720	0	40	KFAB	
O=C(c1ccc2c(=O)n(CCc3ccccc3)c(=O)[nH]c2c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	20117005	QXANYMMYHCOMSB-UHFFFAOYSA-N	512.566	2.619	0	40	KFAB	
COc1ccc(C2=NN(C3=NC(=O)[C@H](CC(=O)N[C@@H](C)C(=O)O)S3)[C@H](c3ccc(OC)cc3)C2)cc1	28158361	WEYOLFCKSUGEQQ-WVFSVQOHSA-N	510.572	2.832	0	40	KFAB	
O=c1cc(CN2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)nc2sc(-c3cccs3)nn12	41077421	ADNDVGFJCHQGGW-UHFFFAOYSA-N	509.585	2.664	0	40	KFAB	
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(CS(=O)(=O)N4CCOCC4)cc3)cc2)c(OC)c1	60060409	JMDJVKWZGSYSCH-UHFFFAOYSA-N	575.665	2.919	0	40	KFAB	
CC1(C)OC[C@@H]([C@H]2O[C@H]3OC(C)(C)O[C@H]3[C@@H]2OC(=O)[C@@H](Cc2ccccc2)NC(=O)CNC(=O)OCc2ccccc2)O1	70699264	PGIQKXPBSUHAPP-KMEUWCBDSA-N	598.649	2.580	0	40	KFAB	
CCOc1cc(S(=O)(=O)N2CCC(c3nc(O)c4nnn(Cc5ccc(C)cc5)c4n3)CC2)c(OCC)cc1-n1cnnn1	100445925	RYSPKMWDXLNADY-UHFFFAOYSA-N	620.696	2.625	0	40	KFAB	
COc1ccc(-c2nnc(SCC(=O)Nc3ccc(S(=O)(=O)Nc4cc(C)nc(C)n4)cc3)n2N)cc1	100976881	NGBHLMDDNDUIAP-UHFFFAOYSA-N	540.631	2.606	0	40	KFAB	
CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	222932080	YKEDJLKEAZXZNA-QHCPKHFHSA-N	531.675	2.988	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	223756532	DJHMQNDSNUPNQG-INIZCTEOSA-N	510.012	2.778	0	40	KFAB	
Cc1ccc(CN(c2ccc(C(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)S(C)(=O)=O)cc1	224448051	UHOKRSPMYXSHOV-UHFFFAOYSA-N	587.720	2.791	0	40	KFAB	
CC[C@H](C)NC(=O)c1ccccc1NC(=O)CCc1cc(S(=O)(=O)N2CCOCC2)ccc1OC	225302765	ZCLAKNXPOSXLHA-SFHVURJKSA-N	503.621	2.816	0	40	KFAB	
C[C@H](N)[C@@H](O)CCCCCCCCCCCCCCCC[C@H](O)[C@H](C)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	253529550	FZSYYVOKNJZJTF-REURXYIKSA-N	535.763	2.502	0	40	KFAB	biogenic,in-vitro
CC1(C)CCC2(CCN(CC(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2)CN1S(C)(=O)=O	257210689	BVSHBEHDALARMV-UHFFFAOYSA-N	540.752	2.716	0	40	KFAB	
COC(=O)c1cccc(NC(=O)[C@H](OC(=O)c2cccc(OC)c2)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)O)c1	409376492	BDYYWWNXIRFQDA-DHIUTWEWSA-N	551.504	2.965	0	40	KFAB	
CC(C)CC(=O)N1CCCN(C)CCN(C(=O)CC2CCN(S(C)(=O)=O)CC2)Cc2ccccc21	643554223	CSKZVVKZCKNDQG-UHFFFAOYSA-N	506.713	2.792	0	40	KFAB	
O=C1NCCOCCOc2ccc(C(=O)NCCS(=O)(=O)c3ccc(F)cc3)cc2Cc2cccc1c2	643572704	GLBLIDRALYFLIK-UHFFFAOYSA-N	526.586	2.759	0	40	KFAB	
O=CN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2C=CCOc2ccccc2CN(C(=O)c2cccc(F)c2)CC3=O)CC1	958317726	HXFDABLRPKOVKN-ZCYQVOJMSA-N	562.642	2.572	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OC)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	628813	JWUXXVDOKRZOOI-LJJBLSSYSA-N	524.595	2.833	0	40	KFAB	
CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O	4534125	GYBXWOPENJVQKE-AABGKKOBSA-N	509.669	2.976	0	40	KFAB	
CC(C)C[C@H]1NC(=O)[C@@H](C(C)C)NC(=O)C[C@H](C)COC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](C(C)C)NC(=O)[C@@H](C(C)C)OC1=O	5048508	CWCLCJUWNJYVCD-QCAXCJEWSA-N	638.847	2.823	0	40	KFAB	
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccc(F)cc4)o3)cc2)CC1	11726327	ZSYSSJSEARDGNJ-UHFFFAOYSA-N	503.512	2.591	0	40	KFAB	
O=C(NC1(C(Cl)(Cl)Cl)Oc2ccccc2O1)c1ccc(S(=O)(=O)N2CCOCC2)cc1	15906025	VPTRUOYXHUOGRV-UHFFFAOYSA-N	507.779	2.933	0	40	KFAB	
Cc1ccccc1N(C(=O)C[S@@](=O)CC(=O)Nc1ccc2c(c1)OCO2)[C@H](C)C(=O)NC1CCCC1	19941207	IRAFLPRTEULCPU-NNIOICJLSA-N	513.616	2.891	0	40	KFAB	
Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(Cc4ccco4)CC3)cc2c1	20083250	OVSAYTLMKXPHOM-RDGATRHJSA-N	503.607	2.811	0	40	KFAB	
O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1F	103017131	ZWCWJOKIWDEILP-XMMPIXPASA-N	559.641	2.601	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1	103020907	DTDUEEABKRUVQA-UHFFFAOYSA-N	547.680	2.655	0	40	KFAB	
COc1c(I)cc(I)cc1/C=C1/SC(=O)N(CC(=O)N2CCOCC2)C1=O	214277728	XFFDASCQARNYLQ-NTUHNPAUSA-N	614.199	2.800	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	223255020	VWHRRXMCXSMJTA-GOSISDBHSA-N	523.627	2.943	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)Nc1ccc(C)c(N2CCCC2=O)c1	223460367	BYWJNFNXAFOHJF-UHFFFAOYSA-N	501.605	2.723	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	223541420	SXWLTIWLUJBBIR-IBGZPJMESA-N	503.621	2.557	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)c2)cc1	224489615	HEOPFFVSEAZHSD-UHFFFAOYSA-N	573.693	2.650	0	40	KFAB	
C[C@H]1CCCN(c2cc(N3CCN(c4ccccc4)CC3)nc(NC(=S)NCCN3CCOCC3)n2)C1	225904267	CJCYPWOUIXTMIB-QFIPXVFZSA-N	524.739	2.658	0	40	KFAB	
CCOC(=O)COc1c(I)cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1OC	409201236	KSRHWJUAIOVIMB-RQZCQDPDSA-N	597.337	2.912	0	40	KFAB	
NC(=O)c1ccc(NC(=O)COC(=O)C[C@H]2c3ccccc3CCN2S(=O)(=O)c2ccc(F)cc2)cc1	3224860	CQBZFNFSCZOTPN-QHCPKHFHSA-N	525.558	2.785	0	40	KFAB	
CC(C)CCNC(=O)[C@H](c1ccc(F)cc1)N(CCCO)C(=O)Cn1nnc(-c2ccc(F)cc2)n1	6134465	NOGNYSQTVKMNPK-QHCPKHFHSA-N	500.550	2.733	0	40	KFAB	
COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)S(C)(=O)=O)c(OC)c1	20060745	BXMUHXCEVDBGCT-UHFFFAOYSA-N	519.601	2.909	0	40	KFAB	
COc1ccc2ccccc2c1CC1(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)C(=O)N(C)C(=O)N(C)C1=O	20111471	UDKNBCJZDFZWCO-CTNGQTDRSA-N	528.609	2.709	0	40	KFAB	biogenic
O=C(NCCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1	22229373	VTLYOFQIRITWDG-UHFFFAOYSA-N	523.611	2.584	0	40	KFAB	
O=C(O)CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]2C1=O)[C@H]1[C@H]3Sc2[nH]c(=O)sc2[C@H]1c1ccc(Br)cc1	100864129	BKXAIHBEWJHDDZ-VQUWHCFCSA-N	521.414	2.757	0	40	KFAB	
CCOC(=O)c1oc2cc(O[C@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)ccc2c(=O)c1-c1cscn1	170623040	SFBDPQSPXMSRAI-OJMPKVGASA-N	647.611	2.555	0	40	KFAB	
CNS(=O)(=O)c1ccc(C)c(NC(=O)CCc2ccc(S(=O)(=O)NCc3ccccc3)cc2)c1	222866762	OFKRDDMGUUOONH-UHFFFAOYSA-N	501.630	2.953	0	40	KFAB	
COc1ccc(N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1OC	223108031	SFYQHNZOOGUYCD-IBGZPJMESA-N	519.664	2.844	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	223485664	DAXLDZGLPUNSEF-IBGZPJMESA-N	535.663	2.812	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	225404476	QCHMQGGYVNCBDL-RBUKOAKNSA-N	522.643	2.779	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)[C@@H](C)C(=O)NC(C)C)cc1	225676761	JOZZXALBVHEEPB-NRFANRHFSA-N	518.680	2.867	0	40	KFAB	
CC(C)NC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4ccc(F)cc4)C[C@H]3C(=O)NC[C@H]1O2	253405457	SKYQDYARFWXEBF-JGDRUYDSSA-N	581.689	2.675	0	40	KFAB	
CN(C)[C@@H]1CC[C@@]2([C@@H](O)CNS(=O)(=O)c3ccc(F)cc3)C[C@H](c3ccccc3)C[C@](C)(O2)[C@H]1O	257308475	TWVVZIMVNOYPRO-SHNBMQITSA-N	506.640	2.642	0	40	KFAB	
NS(=O)(=O)c1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)cc1	408584452	PVLZOUIBRITOSR-HXUWFJFHSA-N	538.445	2.625	0	40	KFAB	
O=C([C@H](CCCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)N1CCCCCC1	408684587	PEVFDMPWWJFREK-CPZPEYDRSA-N	519.642	2.542	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)Nc1ccc(I)cc1)c1ccc2c(c1)OCCO2	408706378	IGTDKFFUDYYYSK-UHFFFAOYSA-N	502.330	2.857	0	40	KFAB	
C[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCc2ccc(CN3CCCCC3)cc2)CCC(=O)N(C)CC(=O)NCCCCC(=O)N1	643569220	OABYCMOZAZCBPT-YZNIXAGQSA-N	662.832	2.510	0	40	KFAB	
CC(C)[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCC(C)(C)c2ccc(F)cc2)CCC(=O)N(C)CC(=O)N1	643577055	BPNDZGFKGDDTNO-BJKOFHAPSA-N	554.663	2.790	0	40	KFAB	
Cc1cc(OCCNC(=O)[C@@H]2CC(=O)N[C@@H](CC(C)C)C(=O)N(C)CCOc3ccccc3C(=O)N2)ccc1Cl	643579194	TWVWXPWOIMRWBS-ZEQRLZLVSA-N	573.090	2.714	0	40	KFAB	
COCCC[C@H]1O[C@@](O)([C@@H](C)[C@@H]2C[C@H](OC)[C@H](O)C=C(C)C=C(C)C=C(C)[C@H](O[C@H]3O[C@H](C)[C@@H](OC)[C@H](O)[C@H]3O)[C@@H](C)C=C(CO)C=C(OC)C=C(C)C(=O)O2)[C@H](OC)[C@@H](O)[C@]1(C)O	2048392562	VTVRDHRYRTVEOZ-ZLBOWAGFSA-N	913.108	2.692	0	40	KFAB	
COc1ccc(OC)c(-n2c(CNC(=O)c3ccco3)nnc2SCC(=O)Nc2nnc(C)s2)c1	3632717	FHAWVEVBHHOSLR-UHFFFAOYSA-N	515.577	2.698	0	40	KFAB	
COc1ccc(CN(CC(=O)NC2CCCCC2)C(=O)C[S@@](=O)CC(=O)Nc2ccc3c(c2)OCO3)cc1	6973471	NIYKFRDBMDBMMC-KXQOOQHDSA-N	543.642	2.589	0	40	KFAB	
O=C(CN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(S(=O)(=O)NC2CCCC2)cc1)Nc1ccccc1	13496966	AFNFIUOTPXIWFI-OAQYLSRUSA-N	521.661	2.716	0	40	KFAB	
CCOC(=O)[C@@H]1C(c2ccc(OC)cc2)[C@@H](C(=O)OCC)[C@](O)(C(F)(F)F)O[C@]1(O)C(F)(F)F	16930463	ZWCDTIWOHIYUPI-BXTCMNFTSA-N	504.376	2.669	0	40	KFAB	
CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)c(C)c1	20032854	UMRAEXHRSRSLFV-UHFFFAOYSA-N	523.677	2.505	0	40	KFAB	
CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCOC)N3CCN(Cc4cccc(OC)c4)CC3)cc2c1	20082394	SRADEEHNJLUGTI-SANMLTNESA-N	517.634	2.639	0	40	KFAB	
CCOC(=O)N1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(OCC)c(C)c2)CC1	22247428	SQGZEAYPYABAOG-JOCHJYFZSA-N	503.621	2.584	0	40	KFAB	
CCOC(=O)CN1C(=O)[C@]2(N[C@@H](CCSC)[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]32)c2ccccc21	100158906	JFSACOGEXOVPMC-DUWWHKKTSA-N	528.030	2.976	0	40	KFAB	
C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NCCNC(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)cc1	100952459	CGDORPCOIVWEIT-VXKWHMMOSA-N	590.768	2.973	0	40	KFAB	
CN(C)S(=O)(=O)c1cc(NC(=O)COC(=O)[C@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)ccc1Cl	103067939	UVIJDZIABIWITF-WZONZLPQSA-N	556.037	2.802	0	40	KFAB	
COC(=O)CSc1nnc(NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccccc2)s1	223876710	RXQOVJFMDXJEQH-UHFFFAOYSA-N	522.630	2.954	0	40	KFAB	
CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	224210874	NQQMSCKVHVNNTM-NRFANRHFSA-N	503.621	2.823	0	40	KFAB	
COC(=O)CSc1nnc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)s1	224351762	JQIZYJISITYLCL-UHFFFAOYSA-N	552.656	2.963	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	225505855	BNUPEAXZPLYVLD-RUZDIDTESA-N	539.654	2.856	0	40	KFAB	
CCOc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc(I)c1OCC(=O)Nc1ccccc1	408549734	XWXLLECJKJIPQC-LICLKQGHSA-N	579.347	2.773	0	40	KFAB	
O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1	408556295	IRKMIUMPRMNKGO-UHFFFAOYSA-N	536.050	2.967	0	40	KFAB	
CN1C(=O)/C(=C/c2cc(I)cc(I)c2O)N(C)C1=S	409038490	PEKZNBZVGMYLKZ-WTKPLQERSA-N	500.099	2.631	0	40	KFAB	
CCOc1cc(C(c2c(O)n(C)c(=S)n(C)c2=O)c2c(O)n(C)c(=S)n(C)c2=O)cc(Cl)c1O	409094075	CXOXJRBCYPYWQI-UHFFFAOYSA-N	527.024	2.569	0	40	KFAB	
CC(C)C[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCc2nnc3n2CCCCC3)CC(=O)N[C@H](CC(C)C)C(=O)N1C	643584864	VXYGLMLARPMIBS-ZKMPZPQNSA-N	609.772	2.606	0	40	KFAB	
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CC[C@@H](C(=O)NCCN(C)C)NC(=O)c2ccccc2OCCCCCCN(C)C1=O	1615157213	JDRGXRINZPDSEA-CPCREDONSA-N	692.902	2.913	0	40	KFAB	
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	2060999607	QOMBXPYXWGTFNR-LCSKWXRLSA-N	767.010	2.953	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)o3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1	680797	MFPAKNRWUVZZMK-CBIIRDDDSA-N	588.480	2.999	0	40	KFAB	
COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nc3ccc(NC(C)=O)cc3s2)cc1	11617194	AXRCXUKJRVDXJD-UHFFFAOYSA-N	506.606	2.791	0	40	KFAB	
O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1	12563004	FNQNVQSZSCHVME-UHFFFAOYSA-N	519.576	2.900	0	40	KFAB	
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)NCC(=O)Nc2ccc(C)cc2)CC1	12662282	ULXLMDNKOAWRSZ-FQEVSTJZSA-N	506.669	2.935	0	40	KFAB	biogenic
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN(c3ccccc3)S(=O)(=O)c3ccccc3)CC2)cc1	13673782	AZWRYPGUSCYFEP-UHFFFAOYSA-N	513.641	2.723	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1	30847530	SIEQTLCYDYMXFS-UHFFFAOYSA-N	521.661	2.660	0	40	KFAB	
COc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1S(=O)(=O)NCCc1ccccc1	59852329	OQZJUHMNPOTCBE-UHFFFAOYSA-N	557.694	2.931	0	40	KFAB	
O=C(CC(=O)Nc1ccc(I)cn1)Nc1ccc(I)cn1	62701859	CZRCYAOGBRADNU-UHFFFAOYSA-N	508.057	2.653	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(S(=O)(=O)Nc4ccccn4)cc3)C2)cc1	215986160	XBTKCRHWRYJRGT-SFHVURJKSA-N	530.628	2.930	0	40	KFAB	
COC(=O)[C@H]1CN(C(=O)COc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)c2ccccc2O1	222635765	VZAIHLKTVWPJSD-XMMPIXPASA-N	510.568	2.554	0	40	KFAB	
Cc1ccc(S(=O)(=O)NCCNC(=O)COc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)cc1	222687088	HYJZWJKIUIUGJC-UHFFFAOYSA-N	531.656	2.886	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O	223011000	ACEIAXKINZGLSN-OAHLLOKOSA-N	514.417	2.908	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)Nc1ccc(N2CCCC2=O)c(C)c1	225099908	PSHGCHYJZDMXGB-UHFFFAOYSA-N	501.605	2.723	0	40	KFAB	
COc1ccc(C(=O)N2[C@H]3CCCC[C@@H]3NC(=O)[C@H]2CC(=O)N2CCN(Cc3ccccc3)CC2)cc1	226397658	CNSVAGWINDSHCL-KKUQBAQOSA-N	504.631	2.682	0	40	KFAB	
COc1ccc(OC)c(N(CC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)c1	260723960	HZKOTQAUNKKUHM-LJQANCHMSA-N	505.637	2.720	0	40	KFAB	
COC(=O)c1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(C)c3)CC2)cc(C(=O)OC)c1	408583315	HIRDZRRQGWOUSI-UHFFFAOYSA-N	504.561	2.616	0	40	KFAB	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(O)c3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC	408956155	YXIRTLBYGHHRLJ-BYHQVZLYSA-N	500.960	2.784	0	40	KFAB	
COC(=O)COc1c(I)cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc1I	409140532	FGVAWRRLKRIGMC-ONNFQVAWSA-N	603.128	2.569	0	40	KFAB	
COCC(=O)N1CCCN(C(C)C)CCN(C(=O)CCN2CCN(c3ccccn3)CC2)Cc2ccccc21	643554255	FBGIGSFXBOOALI-UHFFFAOYSA-N	536.721	2.716	0	40	KFAB	
CC(C)C[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCc2cccc(CN3CCCC3=O)c2)CC(=O)N2CCC[C@@H]2C(=O)N1	643564702	BFYKORSDJUCFLU-RZDMPUFOSA-N	617.747	2.528	0	40	KFAB	
Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1	20111642	FVMGYOWJFMBYID-MRXNPFEDSA-N	515.057	2.906	0	40	KFAB	
C[C@@H](C(=O)NCCO)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1	222797196	DEPKBUOIZRANOZ-IBGZPJMESA-N	522.067	2.583	0	40	KFAB	
COC(=O)COc1c(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cccc1OC	408528850	HHOVUHXGFJGTPK-RCCKNPSSSA-N	525.583	2.632	0	40	KFAB	
O=C(COc1ccc(N2C[C@H](C(=O)NCCCN3CCOCC3)CC2=O)cc1)Nc1cccc(Cl)c1	408578315	KSENDFRXBUSUEX-LJQANCHMSA-N	515.010	2.549	0	40	KFAB	
CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(C)N=3)cc1	408927076	VJRUFDNTUGWRBG-GMPUOFRTSA-N	536.606	2.749	0	40	KFAB	
COc1cc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)ccc1OC(C)=O	409371354	WDTHZIMSYRQIDJ-KNTLCZGWSA-N	627.599	2.695	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OC)c(OCCCn3ccnc3)c2)C[C@](O)(COc2ccc(F)c(F)c2)C1	585274903	RCWSVZVPINDOND-GDLZYMKVSA-N	574.625	2.740	0	40	KFAB	
CC(C)[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCCN2CCCCCC2)CCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1	643571887	MGCRMIQYPLEIBG-DTXPUJKBSA-N	635.806	2.914	0	40	KFAB	
O=C(O)CCc1ccc2c(c1)CN(Cc1cnc(N3CCOCC3)s1)CC(=O)NCCCCCO2	643572949	QZHYPLPOAQMSSG-UHFFFAOYSA-N	502.637	2.678	0	40	KFAB	
CN1CC2(CCN(C(=O)Cc3ccc(Cl)cc3)CC2)C[C@@H](O)[C@@H](O)Cc2ccccc2OCC1=O	643574225	JWXFJEJVEBJRHA-XZOQPEGZSA-N	501.023	2.697	0	40	KFAB	
COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC(C)(C)C)c2ccc(O)c(OC)c2)cc1	6074825	CIZKFIMKYSHOJW-FQEVSTJZSA-N	527.603	2.850	0	40	KFAB	
CCOC(=O)CNC(=O)[C@@H](c1c[nH]c2ccccc12)N(C(=O)c1snc(C(N)=O)c1N)c1cc(C)ccc1C	6546578	ITFNLFRLSQGCHE-HSZRJFAPSA-N	548.625	2.990	0	40	KFAB	
O=C(c1ccc(S(=O)(=O)C(F)F)cc1)N1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1	16046174	ZEDZVTYRRHKAGK-UHFFFAOYSA-N	522.599	2.818	0	40	KFAB	
O=C(NC[C@H]1CCCO1)[C@@H](c1ccccn1)N(Cc1ccccc1Cl)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	17414022	XHZCYPIIMFQLEK-FQRUVTKNSA-N	583.066	2.945	0	40	KFAB	
CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)CC1	38139737	NOCXDAXQPPVTAZ-LJQANCHMSA-N	537.082	2.909	0	40	KFAB	
O=C1NC(=O)[C@@](Cc2cccs2)(CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)C(=O)N1Cc1ccccc1	59408808	RQCUDQDTJPDZIU-BALWLHIASA-N	516.623	2.837	0	40	KFAB	
CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)C1	59923264	ZZISUTMMEGHNIB-OAHLLOKOSA-N	545.481	2.707	0	40	KFAB	
COCCNC(=O)[C@@H](c1ccc(C)o1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(C(F)(F)F)c1	100325004	GFDFZWBCDFDLAW-QGZVFWFLSA-N	525.509	2.895	0	40	KFAB	
CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3[C@H]3C=CC=NN23)cc1	101590059	FZSSCWNLRCNLKE-NCYKPQTJSA-N	508.328	2.971	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccc(C)c5)sc4n3)CC2)cc1OC	102349974	GBVKNVGTJZBZDW-UHFFFAOYSA-N	541.655	2.650	0	40	KFAB	
CCOc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC(C)=O)cc2)C(C(=O)OC)=C(C)N=3)ccc1OC(C)=O	102643011	WPSUWQJBFUPTES-CBYYHRJHSA-N	550.589	2.658	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCC(N(C)C)CC4)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	105501252	YAOHDGMEOXENQO-IBYCJETLSA-N	564.664	2.650	0	40	KFAB	
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(F)c(Cl)c3)S(C)(=O)=O)cc2)n1	215969122	IPPJQPPWFDNVLS-UHFFFAOYSA-N	527.987	2.783	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	223713043	IXWNGTXWMSUIQI-MRXNPFEDSA-N	510.012	2.778	0	40	KFAB	
CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	224166779	YMPXXYFNGNOENK-OAQYLSRUSA-N	503.621	2.823	0	40	KFAB	
COCc1cn([C@@H]2CC[C@H]3CCOc4ccccc4C(=O)N4CCN(C5CCC(F)(F)CC5)C[C@H]4C(=O)NC[C@H]2O3)nn1	253397822	GAUAVNLATMQRMT-CFJXPYFLSA-N	602.683	2.816	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	260945794	JELZLFDRZLTDNW-REWPJTCUSA-N	531.675	2.988	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/[C@@H]3C(=O)N(c4ccccc4)N=C3C)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	409018588	NEEBFXBNLFFQNZ-PXZVDUBXSA-N	560.632	2.806	0	40	KFAB	
CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc(Br)c1OCC(=O)OC	409221539	RSTVJHHBVXSOEB-LICLKQGHSA-N	562.373	2.940	0	40	KFAB	
C[C@@H]1COc2ccccc2C(=O)NCCCCC2(CCN(C(=O)[C@H](N)Cc3ccccc3)CC2)C(=O)N1	643560855	JJZZTRNTBOBTCB-ZJSXRUAMSA-N	506.647	2.663	0	40	KFAB	
COc1cc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)Nc3c2c(=O)n(C)c(=O)n3C)cc(OC)c1OC	959873	JKKLYGGQPCDTDG-OAQYLSRUSA-N	507.543	2.685	0	40	KFAB	
COc1ccc(OC)c(C[C@@H](NC(C)=O)C(=O)NC2CCN(c3c(Cc4ccccc4)c(C)nc4ncnn34)CC2)c1	8690198	KQOCAYQKUGWXIX-HHHXNRCGSA-N	571.682	2.873	0	40	KFAB	
CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CNc2cccc(S(=O)(=O)N3CCCC3)c2)c1	12540018	PZJZCCFDIHHWSF-UHFFFAOYSA-N	508.666	2.861	0	40	KFAB	
COc1cc(OC)cc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@H](C)C4)cc3)o2)c1	17247338	BNGIWKLYNZXZLM-GASCZTMLSA-N	502.549	2.804	0	40	KFAB	
O=C(COC(=O)c1ccccc1Br)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl	25392860	PRTFVOFQIZLYDT-UHFFFAOYSA-N	517.785	2.919	0	40	KFAB	
COCCn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1[C@H]1CCCN(S(C)(=O)=O)C1	97945592	WFVOFTJGVABHHZ-AWEZNQCLSA-N	532.486	2.557	0	40	KFAB	
COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2F)cc1OC	100309832	NBCIOPNXLVFAMA-QRQCRPRQSA-N	557.604	2.664	0	40	KFAB	
CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)sc2c1CCCC2	103099411	CSGALONDBAAQOT-UHFFFAOYSA-N	550.655	2.928	0	40	KFAB	
O=C(COC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl	103099888	MFUYGYDOGUGQIO-UHFFFAOYSA-N	614.142	2.650	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c1	103102522	YEYSTLLAEJTEOQ-ROUUACIJSA-N	551.687	2.707	0	40	KFAB	
CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	222634919	BRYFOOITACKMLA-FQEVSTJZSA-N	507.584	2.652	0	40	KFAB	
CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	223109539	YEKPCWVLCXUSHL-QHCPKHFHSA-N	505.596	2.607	0	40	KFAB	
O=C(NCCO)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1	223180767	OLYWRUSGXORLAI-NDEPHWFRSA-N	567.683	2.948	0	40	KFAB	
CS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc(C(F)(F)F)c1	224366966	YNNZDKHPSZVAHI-UHFFFAOYSA-N	563.620	2.841	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	224997165	LAVQBLNQNIQFNY-VQTJNVASSA-N	517.648	2.946	0	40	KFAB	
COC(=O)COc1c(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)cccc1OC	408532309	NYHUKAJPOQGMKR-KGENOOAVSA-N	541.582	2.759	0	40	KFAB	
COc1ccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3cc(Cl)ccc3Cl)CC2=O)cc1OC	408658343	QZDQEJJZXUXIDM-ZDUSSCGKSA-N	510.330	2.686	0	40	KFAB	
COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cc(Br)cc(OC)c3O[C@H](C)C(=O)O)C2=O)o1	409399039	FMSZNPIXPMBEGL-FBWGLTFQSA-N	523.292	2.782	0	40	KFAB	
Cc1nc(CC(=O)N2CCO[C@@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCOCC3)C2)cs1	585284782	ISBKLBYWOXKKFB-DEOSSOPVSA-N	508.040	2.881	0	40	KFAB	
COCC(=O)N1CCCN(C)CCN(C(=O)c2nnn(-c3ccc(OC)cc3)c2C)Cc2ccccc21	643555340	ZVIHVNQKSVHRPM-UHFFFAOYSA-N	506.607	2.542	0	40	KFAB	
CC(=O)N1CCCCCCCN(C2CCOCC2)Cc2cc(C(=O)N3CCN(CCO)CC3)ccc21	643575000	AJOBYRYVFXDRAI-UHFFFAOYSA-N	500.684	2.735	0	40	KFAB	
O=C1NC2(CCOc3cc(-c4cccnc4)ccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(Cc1cccc(F)c1)CC2	1548891110	WOZKMMOSXWJLAW-FTJBHMTQSA-N	580.682	2.945	0	40	KFAB	
CCN(CC)C(=O)CSc1nnc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)s1	12638909	DTWFFUQDSNOUHO-UHFFFAOYSA-N	511.695	2.846	0	40	KFAB	
Cc1ccc(-c2nnn(CC(=O)N(CCCO)[C@@H](C(=O)NC3CCCC3)c3ccc(Cl)cc3)n2)o1	12702301	AWODRHKYLYHHBF-JOCHJYFZSA-N	500.987	2.906	0	40	KFAB	
C[C@H](C(=O)NC1CCCC1)N(C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1cccc(F)c1	12709805	SKYVXRNONHIEJZ-RJDSNXINSA-N	517.579	2.722	0	40	KFAB	
O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1ccccc1	20101049	ZINAETCSVXPFAU-MHZLTWQESA-N	525.653	2.749	0	40	KFAB	
O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1	59851758	MKDLZQSYLORCHN-UHFFFAOYSA-N	535.688	2.777	0	40	KFAB	
CCOC(=O)Nc1ccc2c(COC(=O)[C@H](NS(=O)(=O)c3ccc(Cl)cc3)[C@@H](C)O)cc(=O)oc2c1	64734952	CFGHYQFQZZKBDZ-LRTDBIEQSA-N	538.962	2.786	0	40	KFAB	
CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O	70706969	LDWWVEAXQMIFLL-YJECHUCRSA-N	570.646	2.817	0	40	KFAB	biogenic
CCN(CC)C(=O)CCNS(=O)(=O)c1ccc(OC)c(N(C)S(=O)(=O)c2ccc(Cl)cc2)c1	95117015	DVMOXCKQKXNFIN-UHFFFAOYSA-N	518.057	2.711	0	40	KFAB	
COc1ccccc1NS(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)CNS(=O)(=O)/C=C/c2ccccc2)c1	97980593	VQIFEIHEKZMHAG-QGOAFFKASA-N	586.692	2.861	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O	222507194	PQNDYYZFNMQXNP-AWEZNQCLSA-N	502.420	2.931	0	40	KFAB	
CCOc1ccccc1N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccc(C)cc1	224439410	KKDQHRYQEMVFOJ-UHFFFAOYSA-N	617.746	2.805	0	40	KFAB	
COc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1OC	225581703	HRQICIVJBWQOBF-KRWDZBQOSA-N	509.600	2.551	0	40	KFAB	
CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC(=O)OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cc1OC	409040522	YQPSIIVDYLQBCC-YJWYJIRDSA-N	668.721	2.699	0	40	KFAB	
CC[C@H](C)[C@@H]1NC(=O)C[C@@H](C(=O)NCc2ccc(CN3CCOCC3)cc2)NC(=O)c2ccccc2OC[C@@H](CC(C)C)NC1=O	643564673	ZQEZCMZAXJLPGR-ABBZXIGSSA-N	635.806	2.778	0	40	KFAB	
COc1ccc(CCCNC(=O)[C@@H]2CCC(=O)N[C@@H](CC(C)C)C(=O)NCCCOc3ccccc3C(=O)N2)cc1OC	643567724	SPPNGLIKICTKIJ-DQEYMECFSA-N	596.725	2.761	0	40	KFAB	
CN1CC2(CCN(C(=O)c3cn(C)c4ccccc34)CC2)C[C@@H](O)[C@@H](O)Cc2ccccc2OCC1=O	643574396	UWIAQBMPDLDFIF-LOSJGSFVSA-N	505.615	2.606	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OCCn3ccnc3C)cc2)C[C@@](O)(COc2ccc(F)cc2)C1	2037928487	YOPITYVVZNRHRI-NDEPHWFRSA-N	526.609	2.510	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	1212288	OAZZDUNWYIJDPF-RWTNITNYSA-N	524.595	2.833	0	40	KFAB	
Cc1ccc(CN(Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)Cc2nnnn2C[C@H]2CCCO2)cc1	1373892	ZKLQJULOEPBXKD-JOCHJYFZSA-N	502.575	2.976	0	40	KFAB	
CCn1cc(C(=O)N[C@H](C(=O)O)C(C)C)c(=O)c2cc(F)c(N3CCN(C(=O)c4ccco4)CC3)cc21	2271011	HNFBLDYRSOKDNP-QFIPXVFZSA-N	512.538	2.555	0	40	KFAB	
CC1(C)CC2(CC(C)(C)N1)OC(=O)N(CCN1C(=O)OC3(CC(C)(C)NC(C)(C)C3)[C@@]1(C)O)[C@]2(C)O	8444184	WXAHUZVBJCOTTE-DNQXCXABSA-N	510.676	2.667	0	40	KFAB	
COc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1C	16044882	HNZWAQHCMWZOOF-INIZCTEOSA-N	517.633	2.631	0	40	KFAB	
COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)cc1Cl	20237521	FHHNXCBCNWSGQR-UHFFFAOYSA-N	516.041	2.928	0	40	KFAB	
Cc1ccc2nc(NC(=O)[C@H]3SC(NCCN4CCOCC4)=C(C(=O)NCc4ccco4)C3=N)sc2c1	102928709	AQOHXBMVLJLKLS-NRFANRHFSA-N	540.671	2.721	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NC(C)(C)C)c1ccc2c(c1)OCCO2	222660401	RQKPAXMCZQGSKE-IBGZPJMESA-N	517.648	2.946	0	40	KFAB	
CCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	224581379	LUQCHAHFJKDBRN-NRFANRHFSA-N	519.620	2.524	0	40	KFAB	
C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@]12Cc1c(O)cc3c(c1O2)CN([C@@H](CCC(N)=O)C(=O)O)C3=O	253388191	VGRPJNIVIGBNNK-GRPRIESZSA-N	514.619	2.974	0	40	KFAB	biogenic,in-vitro
CCOC(=O)COc1c(/C=c2/sc3n(c2=O)[C@H](c2ccc(OCC(=O)OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cccc1OC	409036930	RYDPJVHVTMMQJO-FAAWKKKDSA-N	668.721	2.699	0	40	KFAB	
CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCOc2ccc(Cl)cc2)CCC(=O)N[C@@H](Cc2ccc(O)cc2)C1=O	643568442	CCRIZLLVGZTYQT-SVBPBHIXSA-N	623.106	2.698	0	40	KFAB	
CC(C)[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCc2ccc(CN3CCOCC3)cc2)CCC(=O)NC2(CCCC2)C(=O)N1	643572376	VYSGIFPUVSKQOL-VMPREFPWSA-N	633.790	2.676	0	40	KFAB	
O=C(CN1CCOCC1)N1CCC2(CCCCc3ccccc3OCCN(C(=O)c3cnccn3)C2)CC1	643574354	RODUWMJMZBOEMD-UHFFFAOYSA-N	521.662	2.665	0	40	KFAB	
Cc1ccccc1OCC(=O)N1CCCCC2(CCN(Cc3ccncc3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1	643579106	TYLPCGACQXBUOI-IZZNHLLZSA-N	539.673	2.719	0	40	KFAB	
CCOC(=O)C1=C(N)n2c(s/c(=C\c3ccccc3F)c2=O)=C(C(=O)OC(C)C)[C@H]1c1ccccc1F	1883831	QFMINWHYGKZMRD-DTBYZMGXSA-N	526.561	2.607	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)OCO4)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	8858218	VBLLVOGFTHHTCY-YLVTVWEBSA-N	508.552	2.544	0	40	KFAB	
COCCNC(=O)[C@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(C)cc(C)c1	12467380	RXHSNIFGEBZYSO-NRFANRHFSA-N	511.604	2.600	0	40	KFAB	
O=C(Nc1ccccc1N1CCOCC1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1	13134760	RMEDPWSHZYQGDM-UHFFFAOYSA-N	501.605	2.724	0	40	KFAB	
O=C(NCc1ccccc1)[C@H](c1ccc(F)cc1)N(CCN1CCOCC1)C(=O)Cn1nnc2ccccc21	19973423	UJRHOMIZTGQJAK-NDEPHWFRSA-N	530.604	2.789	0	40	KFAB	
Cn1c(=O)c2c(nc(CN3CCN(c4ccccc4)CC3)n2Cc2ccc(Br)cc2)n(C)c1=O	57010834	MHFPZMFNBAAWJC-UHFFFAOYSA-N	523.435	2.567	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(=O)c(-c4cscn4)c(C)oc3c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	103261347	QLPBVUOEXHYSIY-CEISPFGFSA-N	589.575	2.687	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1	224218799	KXABAUHESUJAIN-UHFFFAOYSA-N	503.602	2.547	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	260883701	CIQXDAGETZDTCK-PMACEKPBSA-N	547.674	2.955	0	40	KFAB	
COc1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(OC)c1	408691322	ZHOMBEWKOYAPBZ-DUIKAJENSA-N	504.539	2.604	0	40	KFAB	
C[C@@H](C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O	408704864	URPFXJPLUOWRBI-AWEZNQCLSA-N	538.629	2.508	0	40	KFAB	
CCOC(=O)c1ccc(NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)cc1	409026117	GUJFVFLBXMYWQN-UHFFFAOYSA-N	502.330	2.873	0	40	KFAB	
COc1ccc(N(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)S(=O)(=O)c2ccccc2)cc1OC	409028453	MRVZAYGQMGBQIK-UHFFFAOYSA-N	553.637	2.972	0	40	KFAB	
COC(=O)COc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1I	409208124	BCWJCIZOZTYCPZ-CXUHLZMHSA-N	553.284	2.514	0	40	KFAB	
CCOc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC[C@H]1CCCO1)c1ccc(C)o1	6631427	DIENBFODNYDARM-VFNWGFHPSA-N	527.603	2.808	0	40	KFAB	
CCOC(=O)[C@@](O)(c1ccc(OC)c(N[C@@](NC(=O)CC)(C(=O)OCC)C(F)(F)F)c1)C(F)(F)F	8934592	MWMVTQIFILMRRN-ZWKOTPCHSA-N	518.407	2.768	0	40	KFAB	
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nc4ccc(NC(C)=O)cc4s3)cc2)CC1	11852942	IJENLKSXHWQYHM-UHFFFAOYSA-N	531.616	2.970	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NCc1cccnc1)c1ccc2c(c1)OCCO2	14397405	GCYDPWZNKYTNFY-UHFFFAOYSA-N	510.572	2.578	0	40	KFAB	
C[C@@H]1CCc2c(sc(NC(=O)CN3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)c2C(N)=O)C1	20572212	LUDVVRLAWLDIBS-CQSZACIVSA-N	511.069	2.570	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	28296186	TZLGWYKNUITBDC-YOKWNPFVSA-N	510.568	2.530	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(CNC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)cc1	59838244	WVNBMTJGVLASMR-QHCPKHFHSA-N	580.526	2.905	0	40	KFAB	
CS(=O)(=O)c1ccc([C@H](O)CN(CCc2cccs2)C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)cc1	62587349	XJHYTBYURNZUNN-DNQXCXABSA-N	523.698	2.867	0	40	KFAB	
COc1ccc(NC(=O)Cn2c(=O)ncc3cc(S(=O)(=O)N4CCCC[C@@H]4C)ccc32)c(OC)c1	71772541	GUCXSPSPYWVEBZ-INIZCTEOSA-N	500.577	2.616	0	40	KFAB	
O=S(=O)(c1cccc(N2CN(S(=O)(=O)c3ccccc3)c3nc4ccccc4nc32)c1)N1CCOCC1	97983747	BSOTXOMJBORXDT-UHFFFAOYSA-N	537.623	2.955	0	40	KFAB	
O=C1NC2(CCCC2)C(=O)N1CCS(=O)(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1	100890704	SCLNRCPFXDZRRG-UHFFFAOYSA-N	532.613	2.866	0	40	KFAB	
CCOC(=O)C1=C(COC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)NC(=O)N[C@@H]1c1cccs1	101476166	NCNSJIBNQWBDFP-OAQYLSRUSA-N	533.628	2.563	0	40	KFAB	
COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)S(C)(=O)=O)cc1Cl	216015329	ANDRBINLROKQMJ-UHFFFAOYSA-N	540.023	2.653	0	40	KFAB	
CCCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222857905	YSDJLBBNCMJGJI-NRFANRHFSA-N	549.665	2.949	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C	223451696	OQBODVQIKPFMHO-HXUWFJFHSA-N	504.653	2.642	0	40	KFAB	
COC(=O)c1cc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1Cl	224418473	YVSNJKBVCJSWTD-UHFFFAOYSA-N	517.025	2.659	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)[C@H](C)C(=O)NCC(C)C)c1	260875529	GLJXZOSLNXCDHG-LJQANCHMSA-N	522.643	2.637	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	260989238	PQDQSHUPBVMPCU-RXVVDRJESA-N	503.621	2.903	0	40	KFAB	
COc1ccc(OC)c(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)C(c3ccccc3)c3ccccc3)C2)c1	408670994	RHYYQYWLESZKCC-NRFANRHFSA-N	531.565	2.897	0	40	KFAB	
CCOc1cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)c(Br)cc1OCC(=O)OC	409108084	RSBWKTGZPKWORC-XVBMGZJVSA-N	502.339	2.997	0	40	KFAB	
CCOC(=O)N1CCN(C(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)c(Cl)c2)CC1	409390096	JIHNWWAJGRODNY-UHFFFAOYSA-N	524.039	2.883	0	40	KFAB	
CS(=O)(=O)N1CC[C@@H](n2cc(C(=O)N3CCC4(CCCCc5ccccc5OCCCNC4=O)CC3)cn2)C1	643560626	XHXGCXGQLCPPLC-XMMPIXPASA-N	557.717	2.624	0	40	KFAB	
CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)NC(=O)c2ccccc2OCCCNC1=O	643566360	XEYGNOUDFMJWBE-UIOOFZCWSA-N	596.700	2.608	0	40	KFAB	
O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1Cc1ccccc1)N1CCN(c2ccc(O)cc2)CC1)OCO3	6446381	AYWSGTABKOUKLC-HHHXNRCGSA-N	537.580	2.909	0	40	KFAB	
CCn1c(SCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)nnc1-c1ccco1	32859622	SOQPSPYFRLHUFV-UHFFFAOYSA-N	512.013	2.963	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)C2)cc1	59838764	YSFSTEYLIUGROQ-JOCHJYFZSA-N	549.715	2.977	0	40	KFAB	
COc1ccc(C[C@@]2(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1	70669832	HUTKOILPIRFWEJ-ULPIOCOXSA-N	540.620	2.784	0	40	KFAB	biogenic
CC(=O)N[C@H]1[C@H](Sc2nnc(COc3cccc(C)c3)n2-c2ccccc2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	70712130	RMUTZVWIWLMGGQ-VNOXJOTMSA-N	626.688	2.903	0	40	KFAB	biogenic
Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@H](c1ccc(C(=O)NCc3ccc4c(c3)OCO4)cc1)CC(=O)N2	101731220	MGNDNBVMMCDDSG-SFHVURJKSA-N	522.525	2.980	0	40	KFAB	
CCOC(=O)c1cnc(N2CCOCC2)nc1/C=C/c1cn(Cc2ccccc2)c(=O)c2cnc(N3CCOCC3)nc12	102098701	USZMNQONDSLOIA-CMDGGOBGSA-N	583.649	2.650	0	40	KFAB	
COc1c(CC2(CN3C[C@@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)N(C)C(=O)N(C)C2=O)c(CCN(C)C(=O)c2ccccc2)cc2c1OCO2	150349220	ILGHKDWGCFMCEB-OZXSUGGESA-N	683.762	2.599	0	40	KFAB	
CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)Nc2cc(S(=O)(=O)NC)ccc2C)CC1	222584444	WFRJEIYJLVKEAC-UHFFFAOYSA-N	530.068	2.995	0	40	KFAB	
CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	225434460	OXAHCRBZJMQJIL-QFIPXVFZSA-N	519.664	2.846	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3nc(-c4cccc(OC)c4)no3)CC2)cc1	225502646	DOWVWZRYVHFHRR-UHFFFAOYSA-N	500.577	2.813	0	40	KFAB	
CCOc1ccc(NC(=O)c2cc3cc(Br)ccc3n2NC(=O)C(=O)NCCOC)cc1	408580116	QCCZDQWIRAUYDA-UHFFFAOYSA-N	503.353	2.888	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(=O)OC)cc3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409047002	LXXWOMHBRXXZQQ-ARLGEPFESA-N	594.642	2.535	0	40	KFAB	
CCOc1cccc(/C=C2\SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c1OCC(=O)O	409197194	YEVNXLIXJCPUGO-QNGOZBTKSA-N	525.583	2.934	0	40	KFAB	
COc1ccc(CCNS(=O)(=O)c2ccc(OCC(=O)N3CCN(c4ccccc4OC)CC3)cc2)cc1OC	409205697	JLHVRXRVVDPQQG-UHFFFAOYSA-N	569.680	2.961	0	40	KFAB	
CCOC(=O)CN1C(=O)/C(=c2\sc3n(c2=O)[C@H](c2cc(Cl)ccc2OC)C(C(=O)OCC)=C(C)N=3)c2ccccc21	409391488	ZWMUMUSRMIRRAO-QQYUXEJHSA-N	596.061	2.740	0	40	KFAB	
O=S1(=O)C[C@@H](O)[C@H](Nc2ccc(NS(=O)(=O)c3cc(Br)ccc3Br)cc2)C1	575424588	UESQSZFSYWKLDR-HUUCEWRRSA-N	540.255	2.582	0	40	KFAB	
Cc1ccc(CC(=O)N2CCCCC3(CCN(Cc4ccccn4)CC3)C(=O)OC[C@@H](O)[C@@H](O)CC2)cc1	643579165	VFXMFYAOCNDGMY-RRPNLBNLSA-N	523.674	2.883	0	40	KFAB	
O=C(COC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1nc(-c2ccccc2)cs1	3434251	SHLWGVUFPFXOGW-UHFFFAOYSA-N	507.615	2.617	0	40	KFAB	
CC(C)CCNC(=O)[C@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCO2	6134532	FXJZONBUSCMHSG-NRFANRHFSA-N	525.587	2.809	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@@H](C(=O)NC[C@@H]3CCCO3)c3ccc(F)cc3)n2)cc1	7060644	ZYIJGJBUZNUTBB-KYPHJKQUSA-N	552.607	2.532	0	40	KFAB	
O=C1NCCN(C(=S)Nc2cccc(C(F)(F)F)c2)[C@H]1CC(=O)N1CCN(c2ccccc2)CC1	10339338	PEFYUUKABGRLFX-FQEVSTJZSA-N	505.566	2.942	0	40	KFAB	
COc1ccc2c(C)c(CCC(=O)N[C@@H](CC(=O)NCC(=O)O)c3ccc(OC)c(OC)c3)c(=O)oc2c1	12902123	BZKIBYKOHHLDEW-FQEVSTJZSA-N	526.542	2.508	0	40	KFAB	biogenic
C[C@H](OC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1	13012982	VZZNCEBWXGUSFO-ZDUSSCGKSA-N	500.499	2.535	0	40	KFAB	
O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1	20031972	ZGIBWHICUNLXRK-OAQYLSRUSA-N	505.662	2.578	0	40	KFAB	
O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)NCc1ccc(S(=O)(=O)N2CCCC2)cc1	20033095	WLONMHABRQIWLO-UHFFFAOYSA-N	505.662	2.505	0	40	KFAB	
CCn1cc(C(=O)NCc2cccc(OC)c2)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1	67338513	QRQYHLCTMCFQTP-UHFFFAOYSA-N	511.648	2.969	0	40	KFAB	
O=C(NC[C@@H]1CCCO1)[C@H](c1cccs1)N(Cc1ccc2c(c1)OCO2)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	100377909	GINMGOVWWOFFHT-SIBVEZHUSA-N	597.671	2.687	0	40	KFAB	
COc1cc(OC)cc(C(=O)/C=c2/s/c(=C/c3ccc(SC)cc3)c(=O)n2CC(=O)N2CCCC2)c1	102906287	IWIUFCQRNQRYHH-JMHSDKLYSA-N	524.664	2.764	0	40	KFAB	
CCOC(=O)CN1C(=O)S/C(=C/c2cc(I)c(OCC(=O)OC)c(OCC)c2)C1=O	205696146	FMBZCDGOAJDCFU-RIYZIHGNSA-N	549.339	2.841	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3C[C@H](C(=O)OC)Oc4ccccc43)CC2)cc1C	222579502	AWPBMFGTGQYAKD-HSZRJFAPSA-N	502.589	2.762	0	40	KFAB	
Cc1ccc(CN(C(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)cc1	222767112	CRGCXRBZQALBOQ-SFHVURJKSA-N	503.621	2.822	0	40	KFAB	
CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NCCCOC)cc1	222869854	CGYOWUVTNAQPAC-IBGZPJMESA-N	507.628	2.627	0	40	KFAB	
CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	223167631	JDMRDYDQSRPKRF-LJQANCHMSA-N	512.028	2.677	0	40	KFAB	
CCCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	224012457	SVHVQPLLOIPBID-OAQYLSRUSA-N	501.605	2.563	0	40	KFAB	
CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	224254668	IECGXJHHRKQVRD-QFIPXVFZSA-N	517.648	2.866	0	40	KFAB	
Cc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	224438252	DFAZANGQMVPGHX-UHFFFAOYSA-N	587.720	2.715	0	40	KFAB	
CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	224458339	YHATXQFOXKAQON-UHFFFAOYSA-N	591.683	2.622	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O	225358805	LXYXNUHNMPTEFZ-RTBURBONSA-N	505.637	2.802	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O	225450740	CXRUWZVEEINSOO-KRWDZBQOSA-N	510.454	2.995	0	40	KFAB	
COc1ccc(N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c(OC)c1	260825881	ZYEHZJIDPKILQP-LJQANCHMSA-N	517.648	2.946	0	40	KFAB	
Cc1cc(C)cc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NCCCN4CCOCC4)CC3=O)cc2)c1	408580804	RKPLSXPPONETPM-QFIPXVFZSA-N	508.619	2.512	0	40	KFAB	
CCOC(=O)c1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1	408690451	VJPYQMYUCWSCJU-RCQCCBJZSA-N	518.566	2.987	0	40	KFAB	
CN1CCCCN(C(=O)CNS(C)(=O)=O)CCCCOc2ccc(Cl)cc2C(=O)N(C)[C@@H](Cc2ccccc2)C1=O	643559442	XANHGDVLVNPOGJ-VWLOTQADSA-N	607.173	2.812	0	40	KFAB	
CC(=O)Nc1ccc(NC(=O)CN2CCC[C@@]3(CC=CCOc4ccccc4C(=O)NCCNC3=O)C2)cc1	2037879743	NGQVLLBPIJBHEW-LJAQVGFWSA-N	533.629	2.551	0	40	KFAB	
O=S(=O)(c1ccc(S(=O)(=O)N2CCC(c3nc4cc(Cl)ccc4[nH]3)CC2)cc1)N1CCOCC1	1327664	BJWWZTDOTLDDAX-UHFFFAOYSA-N	525.052	2.806	0	40	KFAB	
O=C(CN(CC(=O)Nc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(F)cc1)Nc1ccc2c(c1)OCO2	3237506	QDSQSJICNYSUCF-UHFFFAOYSA-N	529.502	2.551	0	40	KFAB	
CCc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NCCOC)c1ccc(OC)cc1	6860620	IWNHCRDASKYPJC-NRFANRHFSA-N	511.604	2.546	0	40	KFAB	
CCOC(=O)[C@@H]1C(c2ccc(Cl)cc2)[C@@H](C(=O)OCC)[C@@](O)(C(F)(F)F)N[C@@]1(O)C(F)(F)F	16682653	ZVQCIDVGBSULAA-NKPGLDSYSA-N	507.811	2.887	0	40	KFAB	
COc1ccc(Cl)cc1N(CC(=O)NCCCN1CCN(C)CC1)S(=O)(=O)c1ccc(C)cc1	22829541	ZYROSPSDLJMOGK-UHFFFAOYSA-N	509.072	2.606	0	40	KFAB	
CC[C@@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O	70704860	QBUIPQGZMFCACX-LDLZHSJESA-N	536.629	2.620	0	40	KFAB	biogenic
Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc3ccccc3)C(C)C)C(C)C)ccc12	85604542	VCOVUYXJMHMVNV-FMYROPPKSA-N	663.776	2.880	0	40	KFAB	in-vitro
COc1ccc(CCNC(=O)CCn2c(SCC(=O)Nc3cc(C)n[nH]3)nc3ccccc3c2=O)cc1OC	101311254	LPEXYHZJXLETFP-UHFFFAOYSA-N	550.641	2.925	0	40	KFAB	
COc1ccc(-c2nc(S(=O)(=O)c3ccc4c(c3)OCCO4)c(NCCN3CCOCC3)o2)cc1OC	101493642	SKPBACDFMQVPKQ-UHFFFAOYSA-N	531.587	2.707	0	40	KFAB	
CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O	223089772	BHWBXUJRKGETOF-OAQYLSRUSA-N	503.621	2.823	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1	224464829	FZBZRUUDBSJEGL-UHFFFAOYSA-N	620.577	2.751	0	40	KFAB	
COc1ccc([C@@H](CC(=O)N2C[C@H](C(=O)NCCc3ccccc3)Oc3ccccc32)NS(C)(=O)=O)cc1	225953602	LVJCGBWJYHNGAC-ZEQKJWHPSA-N	537.638	2.829	0	40	KFAB	
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	238766833	NGMYNFJANBHLKA-VOVROMDUSA-N	514.527	2.595	0	40	KFAB	
CN1CCN(C(=O)C[C@]2(COc3cccc(Cl)c3)CCCN(C(=O)CCN3CCCC3=O)C2)CC1	257313273	URQAXZVPGYMEDY-AREMUKBSSA-N	505.059	2.504	0	40	KFAB	
COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)ccc1OCC(=O)O	409012438	KBHLTUNGQDUSSJ-KGENOOAVSA-N	511.556	2.544	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCCC4)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1	409153411	HXQNSNNFVNVIML-OXIKZWMZSA-N	561.660	2.808	0	40	KFAB	
COc1ccc(NC(=O)[C@H](OC(=O)c2ccc(Cl)cc2)[C@H](OC(=O)c2ccc(Cl)cc2)C(=O)O)nn1	409376153	VGMGHSOOPYUBHF-MOPGFXCFSA-N	534.308	3.266	0	40	KFAB	
CO[C@@H]1CN(C(=O)c2ccccc2F)C[C@@H](CC(C)C)N(C(=O)CNC[C@H](Cc2ccccc2)N(C)C)CCCCOC[C@@H](O)[C@H]1O	643586689	OUJOPZQLIDCHLP-ZOIUHAHXSA-N	658.856	2.821	0	40	KFAB	
CCN(Cc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)cc1	921054	PPZBAIXRCSPXGX-UHFFFAOYSA-N	517.629	2.637	0	40	KFAB	
Cc1sc2ncnc(SCC(=O)N3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)c2c1C	3308481	QKKLUJKQWCGRHV-UHFFFAOYSA-N	520.658	2.705	0	40	KFAB	
COc1cc([C@H](C(=O)NC(C)(C)C)N(Cc2cccs2)C(=O)c2snc(C(N)=O)c2N)ccc1O	6074421	QUUKOKXRZKRIHJ-GOSISDBHSA-N	517.633	2.898	0	40	KFAB	
CCC[C@H](C(=O)NC1CCCC1)N(C[C@@H]1CCCO1)C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1	6501360	JUDZBBNEVKCSEA-LEWJYISDSA-N	514.627	2.592	0	40	KFAB	
O=C(Nc1ccccc1)c1c(O)n(-c2ccccc2)n[n+]1C[C@H](O)CN1CCN(c2cccc(Cl)c2)CC1	8752132	ACOWTIIKOJVOMX-RUZDIDTESA-O	534.040	2.954	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1	22520521	DOBKDLOBMCUTBJ-INIZCTEOSA-N	513.663	2.581	0	40	KFAB	
COc1ccc(C)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)S(C)(=O)=O	44899995	XPWYUJRBLRKQSG-UHFFFAOYSA-N	504.590	2.604	0	40	KFAB	
CCc1ccc(NC(=O)Cn2c(=O)n(-c3ccc(CC(=O)NCCOC)cc3)c(=O)c3ccccc32)cc1	45899972	ACINAXJAOLUNJM-UHFFFAOYSA-N	514.582	2.659	0	40	KFAB	
CCOc1ccccc1NC(=O)CSc1ccc2nnc(CCNS(=O)(=O)c3ccc(OC)cc3)n2n1	100928615	GMPRZKZCGCMZIF-UHFFFAOYSA-N	542.643	2.783	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CN(S(=O)(=O)c4ccc(C)cc4)c4ccccc4O3)CC2)cc1	113633631	RJQNIQOPKNVMTC-AREMUKBSSA-N	555.678	2.793	0	40	KFAB	
CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O	223213901	HGDGITCYGCYZMN-GOSISDBHSA-N	514.417	2.908	0	40	KFAB	
CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCCOc3ccc(S(=O)(=O)N(C)C)cc3)c2)CC1	224228006	RNGRRKNJOIYMAU-UHFFFAOYSA-N	544.095	2.820	0	40	KFAB	
CS(=O)(=O)Nc1ccc(Cl)c(C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1	224398224	BJLFXVVCMONTHA-UHFFFAOYSA-N	516.041	2.695	0	40	KFAB	
CC[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)N(c1cccc(OC)c1)S(C)(=O)=O	224410169	HUBKHTAIJNPSOW-XMMPIXPASA-N	553.703	2.610	0	40	KFAB	
CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225151701	NHHJTPHGUYPGRZ-JOCHJYFZSA-N	517.648	2.866	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)Nc1ccccc1C(=O)NC(C)(C)C	225842745	QWMYLHJZVAHIGW-UHFFFAOYSA-N	503.621	2.816	0	40	KFAB	
CCOC(=O)COc1c(/C=c2\sc3n(c2=O)[C@H](c2ccc(F)cc2)C(C(=O)OCC)=C(C)N=3)cccc1OC	408801481	AYWDGNJCWOPBPQ-OBVMJLIASA-N	554.596	2.888	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCC(=O)O)c(OC)c3)c(=O)n2[C@@H]1c1cccs1	408841492	KURXTUZJGHOAHX-PLMLNFJUSA-N	640.477	2.936	0	40	KFAB	
Cn1c(O)c(C(c2cc(Cl)c(OCC(=O)O)c(Cl)c2)c2c(O)n(C)c(=S)n(C)c2=O)c(=O)n(C)c1=S	409106767	UFDWCBMMMBVSRF-UHFFFAOYSA-N	575.452	2.582	0	40	KFAB	
O=C(COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	409135289	YBXXLBRFVLKCDG-UHFFFAOYSA-N	537.638	2.660	0	40	KFAB	
CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)NCCN(C)C)NC(=O)c2ccccc2OCCCCCCN(C)C(=O)[C@H](Cc2ccccc2)NC1=O	1615157248	JUFVACJSFOZVDW-CHQNGUEUSA-N	678.875	2.523	0	40	KFAB	
CC(C)=CC/C=C(\C)[C@@H]1CC[C@@]2(C)[C@H]3[C@H](C[C@@H](O)[C@H]12)[C@]1(C)CC[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C(C)(C)[C@H]1C[C@H]3C	2060999639	VNVVACHTDGQAHA-FSEYBEAOSA-N	767.010	2.810	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccc(Br)cc43)c(=O)n2[C@@H]1c1ccccc1	2697430	IVWCYQGXLKSHQE-LAFOYAEKSA-N	524.396	2.883	0	40	KFAB	
CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)OCC(=O)Nc1ccccc1OC(F)F	3365096	FVEPKABIRFQMFQ-FQEVSTJZSA-N	514.503	2.544	0	40	KFAB	
COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4ccccc4OC)CC3)cc2c1	19940669	NIBCWZFHTOKMQF-RLWLMLJZSA-N	531.617	2.622	0	40	KFAB	
COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3)S(C)(=O)=O)cc2)c1	20061214	ZOVHCIDHCSAXMX-UHFFFAOYSA-N	519.601	2.909	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(C)nn(C)c3C)c(=O)n2[C@H]1c1ccc(OC(F)F)cc1	22825542	NEZUBNILVOBHAO-OBXYEHHASA-N	502.543	2.750	0	40	KFAB	
CCCCn1c(N)c(N(CC(C)C)C(=O)c2ccc3c(c2)S(=O)(=O)N=C2CCCCCN23)c(=O)[nH]c1=O	23078234	XOEVHHVGBNYJJE-UHFFFAOYSA-N	530.651	2.703	0	40	KFAB	
CCOc1ccc(NC(=O)CN(C)C(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)cc1OCC	32966674	WKTNYRIQABMTAC-HXUWFJFHSA-N	527.618	2.989	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1Cl	59838177	AWDLQQQKVZGDOC-QGZVFWFLSA-N	544.095	2.897	0	40	KFAB	
CC(=O)c1ccc(OC[C@H](O)CN2CCN(CCN3C(=O)c4cccc5cccc(c45)C3=O)CC2)cc1	84459729	WHFYPLIBEUJWRV-HSZRJFAPSA-N	501.583	2.696	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(S(=O)(=O)NC)ccc3C)CC2)cc1Cl	222602928	GHORFRYPAQLFCD-UHFFFAOYSA-N	530.068	2.995	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	222763584	LIRVWTLKPMCQCC-AWEZNQCLSA-N	519.426	2.909	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	223002846	NKBJCGQZBLMEKF-INIZCTEOSA-N	556.479	2.786	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O	223570722	NLZRTMNLAYHIHS-QGZVFWFLSA-N	557.454	2.919	0	40	KFAB	
CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	224254611	IECGXJHHRKQVRD-JOCHJYFZSA-N	517.648	2.866	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCc3ccc(S(=O)(=O)N4CCCC4)cc3)C2)cc1C	226049863	ORTANQBSSQLXDU-HSZRJFAPSA-N	563.742	2.938	0	40	KFAB	
CCOc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1	408549494	UMBMUMXFQDMJRE-RQZCQDPDSA-N	597.337	2.912	0	40	KFAB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCC(=O)OC)c(OCC)c4)c(=O)n32)cc1OCC	408945303	NXTNGQCHZMGIGQ-IYVASWNSSA-N	596.658	2.766	0	40	KFAB	
COC(=O)COc1c(Br)cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc1OC	409245640	WWPGKBJQRVNRAC-CXUHLZMHSA-N	548.346	2.550	0	40	KFAB	
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)cc2)n1	6156043	ZMBOWTQMSVCZKU-QZTJIDSGSA-N	545.643	2.636	0	40	KFAB	
Cc1cccc(NC(=O)Cn2c(=O)n(Cc3nc(-c4ccccc4)no3)c(=O)c3cc4c(cc32)OCO4)c1	9274726	DFYPRSJUQIUTLG-UHFFFAOYSA-N	511.494	2.937	0	40	KFAB	
CS(=O)(=O)c1cccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)o2)c1	9346706	ZDVHGPMHAKHAOQ-UHFFFAOYSA-N	504.590	2.957	0	40	KFAB	
COc1ccc(NC(=O)Cn2c(=O)n(CCCCC(=O)NCc3ccco3)c(=O)c3ccccc32)cc1	9617213	DZDJKXNEBVSCNJ-UHFFFAOYSA-N	504.543	2.890	0	40	KFAB	
COc1ccc(OC)c([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCCN4CCOCC4)CC(=O)N32)c1	20412640	VEILCCLLNBRSFS-RBJSKKJNSA-N	518.614	2.592	0	40	KFAB	biogenic
COc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccc(C)cc5)sc4n3)CC2)cc1	41077512	MSSHDYBOMNRGMM-UHFFFAOYSA-N	511.629	2.642	0	40	KFAB	
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=S)N3C[C@H]4C[C@H](C3)c3cccc(=O)n3C4)cc2)n1	103974832	CVCYYFHJWGQOQG-QZTJIDSGSA-N	510.645	2.872	0	40	KFAB	biogenic
CCn1c(=O)oc2cc(S(=O)(=O)N(c3ccnn3C3CCN(C)CC3)S(=O)(=O)c3ccc4c(c3)oc(=O)n4CC)ccc21	150381040	OUPLJGOJCLPVEZ-UHFFFAOYSA-N	630.705	2.590	0	40	KFAB	
C[C@@H](C(=O)NCc1ccncc1)N(Cc1ccc(F)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O	222861907	PBPBRNSVMMHSBF-FQEVSTJZSA-N	512.607	2.716	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	223485605	DAXLDZGLPUNSEF-LJQANCHMSA-N	535.663	2.812	0	40	KFAB	
COC(=O)c1cc(NC(=O)C[C@@H]2C(=O)N[C@H]3CCCC[C@@H]3N2C(=O)c2ccccc2OC)cc(C(=O)OC)c1	226851291	JLLAAUQOIIXJFF-FDFHNCONSA-N	537.569	2.549	0	40	KFAB	
CO[C@H](/C=C/CC/C=C/C(=O)O)[C@H](O)[C@H](C)[C@@H](O)/C(C)=C/[C@@H](C)C(=O)CCCC1CC(=O)NC(=O)C1	253389714	YQDJUXPUIRGKNV-DSWHOWNNSA-N	507.624	2.711	0	40	KFAB	biogenic,in-vitro
COc1ccc(S(=O)(=O)Nc2ccc(I)cc2C)cc1C(=O)N1CCOCC1	408693392	RRIVEYMISVFNRT-UHFFFAOYSA-N	516.357	2.881	0	40	KFAB	
C[C@@]1(N(CCNS(=O)(=O)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)CCS(=O)(=O)C1	575422691	BVERHNPHHHZRHS-LJQANCHMSA-N	541.500	2.540	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OCCn3ccnc3C)c(OC)c2)C[C@@](O)(COc2ccc(C)cc2)C1	585272310	MHHMGQUUIBBNQC-PMERELPUSA-N	552.672	2.688	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OC)c(OCCn3cc(C)cn3)c2)C[C@@](O)(COc2cc(F)cc(F)c2)C1	585274929	RSWHOKNRNXCYGF-LJAQVGFWSA-N	574.625	2.658	0	40	KFAB	
COc1ccc(C(=O)N2CCC3(CC2)CNC(=O)COc2ccccc2C[C@H](O)[C@H](O)C3)cc1CN1CCCCC1	643566631	UUQIDIDTXLGYIS-RRPNLBNLSA-N	565.711	2.767	0	40	KFAB	
COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1	3379151	AICWGTOGGNNUJN-CQSZACIVSA-N	510.528	2.850	0	40	KFAB	
O=C(Nc1ccc(N2CCOCC2)cc1)[C@H](c1csnn1)N(Cc1cccnc1)C(=O)CN1C(=O)c2ccccc2C1=O	8695980	QYJNJRVDDYWION-MHZLTWQESA-N	597.657	2.775	0	40	KFAB	
COc1ccc([C@@H](Nc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)C(=O)NC[C@@H]2CCCO2)cc1OC	13028282	HOKKBSSZGQJUFF-STWLZBDKSA-N	533.647	2.610	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN(c3cccc(Cl)c3Cl)S(C)(=O)=O)CC2)cc1	13671617	HKHXRCVLTACPNS-UHFFFAOYSA-N	520.460	2.601	0	40	KFAB	
COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccccc2C(=O)NCCCN2CCOCC2)C(=O)[C@]31C	20412794	MLCAJDVOKBRZID-LJAQVGFWSA-N	531.613	2.869	0	40	KFAB	biogenic
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1OC	59418429	JMCZLLHMROIQIM-MFUBYVTQSA-N	522.579	2.741	0	40	KFAB	
COC(=O)c1ccc([C@@H](c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)N2CCN(c3ccccc3)CC2)cc1	102908519	OFBRSDUDBKJZHC-MHZLTWQESA-N	539.636	2.876	0	40	KFAB	
CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cnc5ccccc5c4=O)cc3)CC2)cc1	102917397	CTJYXZWFDBMQTM-UHFFFAOYSA-N	546.605	2.709	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(S(=O)(=O)NC)ccc3C)CC2)cc1C	222580830	ANRKWYJDCHILBB-UHFFFAOYSA-N	509.650	2.650	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O	222795857	BJQTTYJINRBJMR-OAHLLOKOSA-N	501.527	2.643	0	40	KFAB	
CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	222839577	DGDVZCXPWYHOMZ-QFIPXVFZSA-N	522.643	2.779	0	40	KFAB	
C[C@H](C(=O)NCc1cccnc1)N(Cc1ccc(F)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O	222861814	ORIJDQAIIIQYJD-HXUWFJFHSA-N	512.607	2.716	0	40	KFAB	
CC(C)(C)CC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(CC4CC4)C[C@H]3C(=O)NC[C@H]1O2	253397839	GCAMRSSIYWKMGB-GEMTWJNPSA-N	540.705	2.590	0	40	KFAB	
CC(=O)O[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](CC[C@H]6[C@H]5C[C@@H](O)[C@]5(C)[C@H](C7=CC(=O)OC7)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@@H]1O	257440279	HWKJSYYYURVNQU-KXGQZGPLSA-N	822.986	2.789	0	40	KFAB	
CS(=O)(=O)N(CC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCCN1CCOCC1)c1ccccc1)Cc1ccccc1	260722603	QPTODHPRRAIGEV-PMERELPUSA-N	596.725	2.806	0	40	KFAB	
COc1cccc(OC)c1C(=O)NN1C[C@@H](C(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)CC1=O	408663548	AGDGMUDPJXDPRX-LBPRGKRZSA-N	510.330	2.686	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\Nc3cc(C(=O)O)ccc3C)c(=O)n2[C@@H]1c1cccc(OC)c1	408880713	GYOJTQFYOPZRQV-VLOXRPPESA-N	507.568	2.835	0	40	KFAB	
COc1cc([C@H](CC(=O)N[C@H](C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)C(C)C)c2oc(C)cc(=O)c2O)ccc1O	604404679	QLVHQRSHDFEVLV-WQKYYSFTSA-N	591.661	2.838	0	40	KFAB	biogenic
CC(C)C[C@H]1NC(=O)CC[C@@H](C(=O)NC[C@@H](O)c2ccccc2)NC(=O)c2ccccc2OC[C@@H](C(C)C)NC(=O)[C@H](C(C)C)NC1=O	643565006	QJPATTXRHAXLCQ-WRZYSUBXSA-N	665.832	2.620	0	40	KFAB	
O=C1CN(Cc2ccccc2)Cc2c(cccc2C(=O)NCCCN2CCOCC2)OCCCCCN1	643573636	UCQNLTODDJLGDI-UHFFFAOYSA-N	508.663	2.820	0	40	KFAB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccccc1	1333379	FCNBFCGFCDCKDN-UHFFFAOYSA-N	529.640	2.537	0	40	KFAB	
COc1cc2cc(CN(C[C@H]3CCCO3)S(=O)(=O)c3ccc4c(c3)OCCO4)c(=O)[nH]c2cc1OC	6239423	LPCSLKNOSIJTPB-GOSISDBHSA-N	516.572	2.686	0	40	KFAB	
CCOc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)Nc2ccc(CC)cc2)cc1	9382020	FXDZZXMBNYAFPG-UHFFFAOYSA-N	506.588	2.927	0	40	KFAB	
CC[C@@H](C)N(C(=O)COC(=O)CNC(=O)c1sc2ccccc2c1Cl)[C@@H]1CCS(=O)(=O)C1	14672563	DVZXKZPJQZRKMB-ZIAGYGMSSA-N	501.026	2.642	0	40	KFAB	
NC(=O)c1nsc(C(=O)N(CCCN2CCOCC2)[C@@H](C(=O)NC2CCCCC2)c2ccc(Cl)cc2)c1N	38145874	NKHCXPSYCZBMMT-JOCHJYFZSA-N	563.124	2.832	0	40	KFAB	
CCOC(=O)N1CCN(C(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)CC1	44792346	YQWMJNHEYIFTBV-UHFFFAOYSA-N	510.410	2.945	0	40	KFAB	
NS(=O)(=O)c1ccc(CCNC(=O)CSc2nc3cc(Cl)ccc3c(=O)n2Cc2ccco2)cc1	103068061	NSHGOOIBXBKFBG-UHFFFAOYSA-N	533.031	2.790	0	40	KFAB	
Cc1nccn1-c1ccc(CNC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)cc1	140063970	FGPOEXDLLNPYOV-UHFFFAOYSA-N	524.384	2.868	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1	224214427	PZHSRZHKNIPLDW-UHFFFAOYSA-N	531.656	2.712	0	40	KFAB	
CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	224723683	ORXADAYQUYCZKD-QGZVFWFLSA-N	568.490	2.928	0	40	KFAB	
O=C1[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccc(Br)cc43)[C@H]2C(=O)N1c1ccc2c(c1)OCCO2	229998546	KNXKVPINDROMLS-CDNOPDGFSA-N	510.344	2.652	0	40	KFAB	
CCOC(=O)c1oc2cc(OC[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)ccc2c(=O)c1-c1cscn1	245284029	PVMPTMQZVPQGRW-RLFQZUIESA-N	661.638	2.598	0	40	KFAB	
C[C@@]1(O)COCC2(CCN(C(=O)c3ccc4nc(C(F)(F)F)[nH]c4c3)CC2)C[C@H]1n1cnc2c(N)ncnc21	257313066	UQWOPEWMIDWEOO-UZUQRXQVSA-N	544.538	2.939	0	40	KFAB	
CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@@H]1O[C@H](n2ccc3c(N)ncnc32)[C@H](O)[C@H]1O	301055158	WXRGFPHDRFQODR-WOLJRWFJSA-N	539.681	2.852	0	40	KFAB	in-vitro
Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1	408593693	NUKOBEJNMDNQDR-RUZDIDTESA-N	521.639	2.958	0	40	KFAB	
CN1CC(=O)N[C@H](Cc2ccccc2)COc2ccccc2C(=O)N[C@H](C(=O)NCc2ccc(CN3CCOCC3)cc2)CC(=O)N(Cc2ccccc2)CC1=O	643574794	RGLIUGJJZPCKOG-ZUBDYPCQSA-N	774.919	2.931	0	40	KFAB	
Cc1nc2cc(NC(=O)CN3CCC[C@@]4(CC=CCOc5ccccc5C(=O)NCCNC4=O)C3)ccc2n1C	2037879773	PFWKALHTUQFXCS-PMERELPUSA-N	544.656	2.787	0	40	KFAB	
Cc1ccccc1OC[C@H](O)Cn1c(SCC(=O)c2ccc(Cl)cc2)nc2c1c(=O)[nH]c(=O)n2C	863237	IUKITPBAMZFDMY-QGZVFWFLSA-N	514.991	2.800	0	40	KFAB	
COC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)sc2c1CCN(C)C2	8880769	XEWAWVPHUYHRCI-HUUCEWRRSA-N	507.634	2.573	0	40	KFAB	
CCOc1ccccc1NC(=O)[C@H](CCS(C)(=O)=O)N1C(=O)c2ccc(Br)cc2C1=O	24522788	ZROKZGVIIVNADB-KRWDZBQOSA-N	509.378	2.886	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(S(=O)(=O)N(C)C)cc3)CC2)cc1Cl	59838820	AHTANCWXBZJNKY-UHFFFAOYSA-N	544.095	2.706	0	40	KFAB	
CC(=O)O[C@H]1C[C@@](C)(O)[C@H]2CC=C(C)[C@@H]2[C@H]2OC(=O)[C@]3(C[C@@]45C=C[C@]3(C)[C@@H]4[C@H]3OC(=O)[C@@H](CN4CCOCC4)[C@@H]3CC[C@@]5(C)O)[C@H]12	70697694	CBJPQVLGEQCRAI-XRZKSBOYSA-N	639.786	2.800	0	40	KFAB	
CCOC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)sc2cc(S(N)(=O)=O)ccc21	100877542	IYZUQSMVBCOMAF-OHYPFYFLSA-N	614.727	2.796	0	40	KFAB	
O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2ccc(C(=O)NCCc3ccccc3)cc21)NCc1ccco1	101432988	TXUHMKUTJXEDBO-UHFFFAOYSA-N	526.549	2.686	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3c(=O)c(=O)n(Cc4ccccc4)c4ccc(Cl)cc43)CC2)cc1	103133458	BEQDQCFTCHKTOH-UHFFFAOYSA-N	567.067	2.706	0	40	KFAB	
CC1(C)S[C@H]2[C@@H](N3C(=O)c4ccccc4C3=O)CN2[C@@H]1NC(=O)N[C@@H]1N2C[C@H](N3C(=O)c4ccccc4C3=O)[C@@H]2SC1(C)C	150382393	FWTMQQPVXHJRFT-JJZYLXBZSA-N	632.768	2.602	0	40	KFAB	
CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	222640652	MHZGZTFTOOBHOY-JOCHJYFZSA-N	510.607	2.910	0	40	KFAB	
CC(C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	224692020	XQXUBYAQADPIPK-INIZCTEOSA-N	554.463	2.886	0	40	KFAB	
COC(=O)[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(Cl)c3)CC2)c2ccccc2O1	226080030	JZTIEWVSOKAZAT-OAQYLSRUSA-N	508.980	2.717	0	40	KFAB	
COc1ccccc1CNC(=O)[C@H](OC(=O)c1ccc(OC(C)=O)c(OC)c1)[C@H](OC(=O)c1ccc(OC(C)=O)c(OC)c1)C(=O)O	409376276	WOYBSDSLZJURSE-IZLXSDGUSA-N	653.593	2.715	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OCCN3CCCCC3)cc2)C[C@](O)(COc2ccc(F)cc2)C1	585274518	ZNUAYMWTSRHFKV-GDLZYMKVSA-N	529.653	2.791	0	40	KFAB	
CN(C)c1cc(C[C@@H]2CCN(C(=O)CN3CCC4(CCCCc5ccccc5OCCNC4=O)CC3)C2)ncn1	643558946	WPQXUISWJNZUNF-DEOSSOPVSA-N	548.732	2.937	0	40	KFAB	
COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)NCCCN4CCN(c5ccc(F)cc5)CC4)ccc3c2=O)cc1	4766618	NEYYDGWDYTYEER-UHFFFAOYSA-N	545.615	2.828	0	40	KFAB	
CCOC(=O)CNC(=O)[C@@H](c1cccs1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(C)c1C	6546868	CNVUSTKWSHBNAW-LJQANCHMSA-N	515.617	2.570	0	40	KFAB	
C=CCn1c(CNC(=O)c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1cccc(C(=O)O)c1	10041611	VKWMZVGZKBOXGQ-UHFFFAOYSA-N	511.560	2.840	0	40	KFAB	
CSC[C@H](NC(=O)C1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)CC1)C(=O)O	12866456	GUNUYMOMONLIRV-SFTDATJTSA-N	532.663	2.775	0	40	KFAB	biogenic
CCCCn1c(N)c(N(CC(C)C)C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)c(=O)[nH]c1=O	15323905	IGAPSZOQJSEXFK-UHFFFAOYSA-N	526.059	2.660	0	40	KFAB	
COc1ccc(OC)c(-n2c(SCC(=O)Nc3cccc(S(N)(=O)=O)c3)nc3ccccc3c2=O)c1	17466093	LIFGACCMWJYQHC-UHFFFAOYSA-N	526.596	2.781	0	40	KFAB	
Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4ccc(O)cc4)CC3)cc2c1	19941630	LYAPTNPRVDHCIP-JYFHCDHNSA-N	515.618	2.928	0	40	KFAB	
COc1ccc(Cn2nnnc2CN(Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)C[C@H]2CCCO2)cc1	57640455	OZEPMJQRCFFSQU-JOCHJYFZSA-N	518.574	2.524	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC(C)=O)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	59418456	MWFIYAMLOZZZJC-RWTNITNYSA-N	522.579	2.741	0	40	KFAB	
COc1ccc(S(=O)(=O)NCCC(=O)NCc2ccccc2)cc1N(C)S(=O)(=O)c1ccccc1	95116995	LBSHSSMCEXDIMT-UHFFFAOYSA-N	517.629	2.505	0	40	KFAB	
COc1ccc(CCN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@H]2CCCO2)c2cccnc2)cc1OC	100337246	RNDMYLUYBGGLHF-BTYSJIOQSA-N	558.639	2.951	0	40	KFAB	
CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)COC(=O)c1ccccc1OCc1ccc(Cl)cc1Cl	102220446	DOAMGUDWUTUGDS-SFHVURJKSA-N	557.452	2.881	0	40	KFAB	
CCOC(=O)OC[C@H]1O[C@H](Oc2nn(C(C)C)c(C)c2Cc2ccc(OC(C)C)cc2)[C@H](O)[C@@H](O)[C@@H]1O	146654099	UAOCLDQAQNNEAX-MXCHMSEPSA-N	522.595	2.510	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1OC	215941230	RBMAXLBBEFHUDC-UHFFFAOYSA-N	537.660	2.915	0	40	KFAB	
Cc1cc(Cl)ccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)S(C)(=O)=O	216322581	YTQXFSWDILNJMP-UHFFFAOYSA-N	509.997	2.644	0	40	KFAB	
COc1ccc(OC)c(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)c1	225503032	HZKOTQAUNKKUHM-IBGZPJMESA-N	505.637	2.720	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O	225509753	MSYUPEQMEGFUMR-XMMPIXPASA-N	509.628	2.847	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc(-c4nc(C)cc(=O)[nH]4)c3)C2)cc1OC	226050581	YBMGHMWHVXYECR-GOSISDBHSA-N	512.588	2.802	0	40	KFAB	
CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OCC)=C(C)N=3)cc1	408770439	XOIWYVUDRKQEBQ-QUYTYNJFSA-N	512.609	2.802	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccccc43)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1	409046467	RIPCXLBAHWWICA-UGUGFTGJSA-N	533.606	2.916	0	40	KFAB	
CC(=O)Nc1cccc(NC(=O)CN2CCC[C@@]3(CC=CCOc4ccccc4C(=O)NCCNC3=O)C2)c1	2037879720	MLRBIKVIEKOUOG-LJAQVGFWSA-N	533.629	2.551	0	40	KFAB	
O=c1c2cc3c(=O)n(-c4cc(Br)ccc4O)c(=O)c3cc2c(=O)n1-c1cc(Br)ccc1O	820921	BWPCNPARGIOPIP-UHFFFAOYSA-N	558.138	2.827	0	40	KFAB	
CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)N[C@H](CCC(=O)Oc1ccccc1)C(N)=O	4016607	QYVVHYYWZLGGLY-YADHBBJMSA-N	541.601	2.759	0	40	KFAB	
COc1cccc(NC(=O)CSc2nnc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)s2)c1	9600147	FYMYPLMXPBAFBN-UHFFFAOYSA-N	507.619	2.780	0	40	KFAB	
CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)OCC(=O)NCC12CC3CC(CC(C3)C1)C2	12530954	XDQDBEFPHJSNLP-XJVZSZGSSA-N	520.648	2.637	0	40	KFAB	
COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1	12637307	VXQPCAJQGLDGLN-FQEVSTJZSA-N	521.661	2.515	0	40	KFAB	
CCCCN(C(=O)CSCC(=O)Nc1cccc(C)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	12870509	UMLJMXXJGIJLBD-UHFFFAOYSA-N	509.632	2.981	0	40	KFAB	
Cc1cc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@@H]2CCCO2)c2cccs2)ccc1-n1cnnn1	100337507	MYGKYTFHVYGLJL-RXFWQSSRSA-N	557.640	2.847	0	40	KFAB	
COc1ccc(N2C(=O)NC(=O)[C@](Cc3ccc(O)c(OC)c3)(CN3C[C@H]4C[C@H](C3)c3cccc(=O)n3C4)C2=O)cc1	100746610	KFYSGPSROCVUBA-OTTFNGSOSA-N	572.618	2.502	0	40	KFAB	
CCc1c(O[C@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)ccc(C(=O)Cc2ccc3c(c2)OCO3)c1O	103692720	VBEJBERDNOPXME-OOGIEMCRSA-N	630.599	2.571	0	40	KFAB	
CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	223700369	QFEFYQQJGDLTJZ-OAQYLSRUSA-N	517.648	2.946	0	40	KFAB	
COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)N1CCCCC1	223954998	IXBUXPUTBAAXMT-UHFFFAOYSA-N	516.041	2.782	0	40	KFAB	
CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C	224620429	ZZSQORZLGPIQCI-HSZRJFAPSA-N	502.681	2.902	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	225444307	QZDIDTZUEDKXCA-NHCUHLMSSA-N	531.675	2.988	0	40	KFAB	
Cc1ccc(S(=O)(=O)NCCNC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(F)cc2)cc1	226008351	IVQXMQREZBSQDC-UHFFFAOYSA-N	511.641	2.552	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	261060328	NOJYKIGKQVJLDY-MSOLQXFVSA-N	510.607	2.910	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCC(=O)O)cc3Br)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409033602	FQYLJBNRDFWTGW-VADQQUFQSA-N	719.563	2.983	0	40	KFAB	
COC(=O)COc1c(I)cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1OC	409214968	VNZPNDZEWWHNHB-LZYBPNLTSA-N	583.310	2.522	0	40	KFAB	
Cc1ccc2c(c1)OCCCNC(=O)C1(CCCCNC2=O)CCN(C(=O)Cn2cnc3sccc3c2=O)CC1	2037883932	JQWGZBCRPSNXAS-UHFFFAOYSA-N	565.696	2.874	0	40	KFAB	
O=c1[nH]c2cc3c(cc2cc1CN(Cc1ccc(F)cc1)Cc1nnnn1C[C@H]1CCCO1)OCCO3	1373816	USOBIOPFLHUHSN-OAQYLSRUSA-N	506.538	2.806	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)c1ccccc1OCc1c(C)noc1C	8692925	LOTRGCKVYXVMSC-UHFFFAOYSA-N	543.598	2.995	0	40	KFAB	
CCOC(=O)CN(C(=O)c1ccc(CN2CCOCC2)o1)[C@@H](C(=O)NC(C)(C)C)c1ccc(F)cc1	19825756	DMWQDTLXDLOJQL-HSZRJFAPSA-N	503.571	2.912	0	40	KFAB	
CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)[C@H](C)Oc2ccc(Cl)cc2)CC1	38139739	NOCXDAXQPPVTAZ-IBGZPJMESA-N	537.082	2.909	0	40	KFAB	
Cc1cccc(COc2ccccc2C(=O)OCC(=O)N(C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c1	38139874	LGOJBERAJQQSJN-UHFFFAOYSA-N	528.565	2.874	0	40	KFAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)Cn4nc(C(F)(F)F)c(Br)c4C)[C@@H]3SC2)s1	97948903	JVWAGKKRCOUEJZ-ABAIWWIYSA-N	613.463	2.664	0	40	KFAB	
COc1ccc(CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C(=O)NC[C@@H]2CCCO2)c2nc3ccccc3n2C)cc1	100378088	GCSMCNYCKCBNCZ-MUAVYFROSA-N	631.711	2.792	0	40	KFAB	
CC[C@@H](Sc1nc2cc3c(cc2c(=O)n1CCCC(=O)NCc1ccc(OC)cc1)OCO3)C(=O)N1CCOCC1	102755517	KVTXXEAWUGMLJX-RUZDIDTESA-N	582.679	2.960	0	40	KFAB	
COC(=O)Cn1c(=O)c(C(=O)COC(=O)CSc2c(Cl)cccc2Cl)c(N)n(Cc2ccccc2)c1=O	103117052	ZRZCCAPJZWECIM-UHFFFAOYSA-N	566.419	2.639	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O	222845155	KCFVHNSZCANHLP-AWEZNQCLSA-N	502.420	2.931	0	40	KFAB	
CS(=O)(=O)N(CC(=O)N1C[C@@H](C(=O)NCc2ccccc2)Oc2ccccc21)Cc1ccc(F)cc1	226062595	LZDYFRRIFIQXCS-DEOSSOPVSA-N	511.575	2.698	0	40	KFAB	
Cc1ccccc1CN(C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O)[C@H](C)C(=O)NC(C)(C)C	260873090	BDPJPCRMDREJIA-GOSISDBHSA-N	503.621	2.822	0	40	KFAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)O)cc3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	409100838	VKCCLLQJLQFLCC-QTQKINJDSA-N	565.648	2.584	0	40	KFAB	
COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(I)c(OC)c(OC)c2)C1=O	409247578	DKCFHRSYMXFHPT-OQLLNIDSSA-N	537.310	2.848	0	40	KFAB	
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=CC(C#N)=C[C@H]3[C@@H]2C1=O	1858637	WPJSCVOHMKPYEI-QESAQDPVSA-N	515.438	2.530	0	40	KFAB	
COCCOC(=O)C1=C(N)OC(C)=C(C(=O)OC(C)(C)C)[C@@]12C(=O)Nc1ccc(Br)cc12	2807191	ZFQXQGJCOJOUOY-JOCHJYFZSA-N	509.353	2.645	0	40	KFAB	
CC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)cc3)c2C(N)=O)C1	3007309	WJONFCZTMQGVAE-HUUCEWRRSA-N	518.661	2.671	0	40	KFAB	
COc1cc(C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)ccc1OCc1ccc(Cl)cc1Cl	3324163	ODVGMQOOAWAEGJ-UHFFFAOYSA-N	522.341	2.600	0	40	KFAB	
COc1ccc(-n2nc3c(c2NC(=O)c2ccc(S(=O)(=O)N4CCCC4)cc2)C[S@@](=O)C3)cc1	6184149	OKDOLXMSNMKWJO-XIFFEERXSA-N	500.602	2.680	0	40	KFAB	
CCOC(=O)Cc1csc(SCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)n1	12529053	VCXUCIIRAHWNMT-UHFFFAOYSA-N	520.054	2.654	0	40	KFAB	
C[C@H](C(=O)NC(C)(C)C)N(C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1cccc(F)c1	12708944	BGPYPFNJZWPPLU-GEFOQTLXSA-N	505.568	2.578	0	40	KFAB	
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CN(c3c(C)cccc3C)S(C)(=O)=O)cc2)n1	20457199	CDFPXJRPXNARBK-UHFFFAOYSA-N	503.606	2.607	0	40	KFAB	
O=C(NCCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	22229082	YNNBEPHCDNRSNF-UHFFFAOYSA-N	519.929	2.677	0	40	KFAB	
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3cccc(Cl)c3)CC2)N[C@H]1c1cc(OC)c(OC)c(OC)c1	22861282	SUUASEZZQZNGJP-YADHBBJMSA-N	531.009	2.894	0	40	KFAB	
CCOC(=O)C1=C(CN2CCN(C3CCCCC3)CC2)NC(=O)N[C@@H]1c1cc(OC)c(OC)c(OC)c1	22931301	YQUFMBVRNRIUHT-XMMPIXPASA-N	516.639	2.834	0	40	KFAB	
CCN(CC)S(=O)(=O)c1cc(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)ccc1Cl	66148037	WEUSJJGHXMVCOA-UHFFFAOYSA-N	536.097	2.634	0	40	KFAB	
O=C1NC(=O)[C@](Cc2ccc3c(c2)OCO3)(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)C(=O)N1Cc1ccccc1	70669824	GKDPYYRXPNPYPJ-UDKTZTBJSA-N	554.603	2.504	0	40	KFAB	biogenic
CC(=O)OC[C@@H]1O[C@@H](Oc2cc3oc(=O)c4c(c3cc2Cl)CCCC4)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	70686773	MSFMMJSYVUWAEJ-GAYSTUHSSA-N	580.970	2.787	0	40	KFAB	
O=C(Nc1nnc(SCC(=O)N2CCCc3ccccc32)s1)c1ccc(S(=O)(=O)N2CCOCC2)cc1	97961701	KEPDBEMLTOYZRB-UHFFFAOYSA-N	559.695	2.883	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2	222850840	KWOXIUSWLNEGAV-LJQANCHMSA-N	571.627	2.964	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O	223485067	QBVQXHVMCJKLDG-IBGZPJMESA-N	505.637	2.803	0	40	KFAB	
CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	225412530	GKQAQGUYIIYJBK-QHCPKHFHSA-N	547.674	2.956	0	40	KFAB	
CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225442056	FSWSJMFOFOUUQP-JOCHJYFZSA-N	517.648	2.600	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O	225478958	UDLWVIYGZBZKTQ-QGZVFWFLSA-N	510.454	2.995	0	40	KFAB	
CC(C)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(C)C[C@H]4CCCO4)cc3)c2C(N)=O)C1	248096766	GRGRPDIBGVHZCK-QGZVFWFLSA-N	520.677	2.665	0	40	KFAB	
CN(CC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCc1ccco1)S(C)(=O)=O	260722490	PBJWTJPNYAOZJV-HSZRJFAPSA-N	501.580	2.566	0	40	KFAB	
COc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1	260795026	ONMINOFPRRZOJQ-GOSISDBHSA-N	505.637	2.802	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NCC(C)C)c1ccc2c(c1)OCCO2	260893591	MBOZPHLUVARUCH-HXUWFJFHSA-N	517.648	2.803	0	40	KFAB	
Cc1ccc(C)c(NC(=O)COc2ccc(N3C[C@@H](C(=O)NCCCN4CCOCC4)CC3=O)cc2)c1	408582135	VPSPRHRVWZILGX-QFIPXVFZSA-N	508.619	2.512	0	40	KFAB	
CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Cl)c(OCC(=O)OC)c(OC)c2)C1=O	409230208	CKFCQPJQTWUPEE-VCHYOVAHSA-N	501.923	2.994	0	40	KFAB	
Cc1csc(CCCNC(=O)[C@@H]2CC(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)CC(=O)N[C@H](Cc3ccccc3)COc3ccccc3C(=O)N2)n1	643574640	GIEPWLJQRPXOAZ-GHPAMLPFSA-N	724.884	2.995	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1	1780154	VUPPLOWXEISRMM-PNZYDNNZSA-N	550.589	2.658	0	40	KFAB	
CCCC[C@H](C(=O)NCCC(C)C)N(Cc1ccc2c(c1)OCO2)C(=O)c1snc(C(N)=O)c1N	6481537	GBXBAHDJAWWGFR-MRXNPFEDSA-N	503.625	2.916	0	40	KFAB	
COc1cc([C@H]2[C@@H](C(C)=O)N3N=Cc4ccccc4[C@@H]3C23C(=O)OC(C)(C)OC3=O)ccc1OC(C)=O	8767376	VESUMBFJRABQSF-YTFSRNRJSA-N	506.511	2.889	0	40	KFAB	
O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1	30847463	QFQDXWFZNIPJJE-UHFFFAOYSA-N	506.631	2.983	0	40	KFAB	
CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](Cc4ccc(O)cc4)N[C@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)cc1	101276564	UREWEQHDQCCSQR-CHCBTGSZSA-N	529.524	2.876	0	40	KFAB	
COc1ccc(Cl)cc1-c1nnc(SCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)[nH]1	102895696	IPNKXYOZIHTDJC-UHFFFAOYSA-N	538.051	2.563	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222853950	UIXKRMPLFYJCKC-HXUWFJFHSA-N	535.638	2.559	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C	223497163	UGCOGWLNNCNHGV-HXUWFJFHSA-N	504.653	2.642	0	40	KFAB	
C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	224079598	PQGNMMCYYAWFDD-KRWDZBQOSA-N	510.607	2.910	0	40	KFAB	
C[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	224097039	GWTMBDFWISIZLX-FQEVSTJZSA-N	529.659	2.742	0	40	KFAB	
COc1cc2c(cc1CN1CCO[C@](COc3ccc(Cl)cc3)(CC(=O)N3CCN(C)CC3)C1)OCO2	257218555	DDNYNNZVEHJARK-HHHXNRCGSA-N	532.037	2.891	0	40	KFAB	
CN1CCN(C(=O)C[C@@]2(COc3ccc(Cl)cc3)CN(Cc3ccc(C(=O)O)cc3)CCO2)CC1	257290357	QCQGEUUHYDRMLQ-SANMLTNESA-N	502.011	2.852	0	40	KFAB	
O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1	408681784	SVJGLWFBFRTGNJ-UHFFFAOYSA-N	560.069	2.681	0	40	KFAB	
COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OCC(N)=O)cc3)C2=O)ccc1Cl	409197334	BXNJDCMTPNSDFB-IUXPMGMMSA-N	503.920	2.666	0	40	KFAB	
O=S1(=O)C[C@@H](Nc2ccc(NS(=O)(=O)c3cc(Br)ccc3Br)cc2)[C@@H](O)C1	575424586	UESQSZFSYWKLDR-CABCVRRESA-N	540.255	2.582	0	40	KFAB	
CC(C)C[C@H]1NC(=O)C[C@@H](C(=O)NCc2cccc(CN3CCCC3=O)c2)NC(=O)c2ccccc2OC[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O	643574861	WAYGPCKADDTRIU-PNIVXLCQSA-N	738.886	2.723	0	40	KFAB	
COc1cccc(CCNC(=O)[C@@H]2CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCCOc3ccccc3C(=O)N2)c1	643576257	SKWWATJDSHJBJZ-RTOKGZNSSA-N	685.822	2.700	0	40	KFAB	
COc1ccc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCN(C(=O)c4ccco4)CC3)c(=O)[nH]c2c1	6282932	VJHKOPFYDCNBPL-RUZDIDTESA-N	543.559	2.851	0	40	KFAB	
O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)OCC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1	13164628	NQEIPJFHSJFTTD-HXUWFJFHSA-N	526.611	2.718	0	40	KFAB	
COc1ccc(CCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccco2)cc1OC	100377882	LODKCWULFCVWQQ-LYZGTLIUSA-N	611.673	2.549	0	40	KFAB	
COC(=O)[C@@H]1CN(C(=O)COc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)c2ccccc2O1	222635710	VZAIHLKTVWPJSD-DEOSSOPVSA-N	510.568	2.554	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	225444514	GQXLGKXHIPGMPV-VQTJNVASSA-N	506.644	2.813	0	40	KFAB	
Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1	226053774	HSDKFJAUGIQUCZ-UHFFFAOYSA-N	549.715	2.692	0	40	KFAB	
C[C@H](O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H](O)CCCCCCCCCCCCCCCC[C@@H](O)[C@@H](C)N	253529548	FZSYYVOKNJZJTF-INEGGLQLSA-N	535.763	2.502	0	40	KFAB	biogenic,in-vitro
COc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1C(=O)N1CCCCC1	408693374	QTVZXPCTKAUWSU-UHFFFAOYSA-N	501.605	2.557	0	40	KFAB	
CCCCOC(=O)CN1C(=O)S/C(=C\c2ccc(OCC(=O)N3CCOCC3)c(OCC)c2)C1=O	409204572	AKLHBTMSSSUCTF-ZHZULCJRSA-N	506.577	2.703	0	40	KFAB	
CC(C)[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCCCN(C)C)CCC(=O)N(Cc2ccccc2)CC(=O)N1	643572529	YRTGFSVTMAPOSH-SVBPBHIXSA-N	579.742	2.585	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OC)c(OCCCn3ccnc3C)c2)C[C@](O)(COc2ccc(F)cc2)C1	2037931635	MYRHPBUMRBPTLA-SSEXGKCCSA-N	570.662	2.909	0	40	KFAB	
CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)OC(C)(C)C	4015577	JMQNNNWOMOJVBU-NGDRWEMDSA-N	660.768	2.962	0	40	KFAB	
CC(=O)OC[C@H]1O[C@@H](Oc2ccc(Br)cc2Br)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	6073890	VBWWLFJAKXINAH-JAZQRGJZSA-N	582.194	2.674	0	40	KFAB	
CCOC(=O)c1sc2nc(CN3CCN(S(=O)(=O)c4ccc(F)c(F)c4)CC3)nc(N)c2c1C	12600060	YGUKLEOZQRSLCV-UHFFFAOYSA-N	511.576	2.543	0	40	KFAB	
COC(=O)[C@H](C)Sc1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1-c1cc(OC)ccc1OC	13148473	DVGTUGUEUHRQAQ-AWEZNQCLSA-N	506.606	2.855	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1	15913098	LOZGDQSAQWYCGE-UHFFFAOYSA-N	516.041	2.782	0	40	KFAB	
CC(C)(C)c1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)S(C)(=O)=O)cc1	20034698	OZYUIFNJZHKWNL-UHFFFAOYSA-N	517.633	2.980	0	40	KFAB	
COC(=O)[C@]1(Cc2ccc(O)cc2)N[C@@H](c2cccs2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21	20150763	SWAGACNLJXQZTJ-RNLGNXJRSA-N	520.563	2.830	0	40	KFAB	
COC(=O)c1sc2nc(CN3CCN(S(=O)(=O)c4cc(Cl)ccc4Cl)CC3)[nH]c(=O)c2c1C	102986405	DDVXEQHPXQKSML-UHFFFAOYSA-N	531.443	2.893	0	40	KFAB	
CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@@H](C)C(=O)NC[C@H]2CCCO2)cc1	222947535	JFENJXCGDWAIML-GBXCKJPGSA-N	531.675	2.639	0	40	KFAB	
CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	222961528	OALYUKPCMCXZNQ-OAQYLSRUSA-N	503.621	2.557	0	40	KFAB	
Cc1ccc(N([C@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)cc1	260888156	IHLPPACCWCMAMW-HXUWFJFHSA-N	523.677	2.519	0	40	KFAB	
CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(C)N=3)cc1	408927068	VJRUFDNTUGWRBG-BQKWAYIGSA-N	536.606	2.749	0	40	KFAB	
COc1cc([C@H](CC(=O)NCCC(=O)Nc2ccc(NC(C)=O)cc2)c2oc(C)cc(=O)c2O)ccc1O	524730517	LNASLFBEEHFWCS-FQEVSTJZSA-N	523.542	2.993	0	40	KFAB	biogenic
CO[C@@H]1[C@@H](OC(=N)O)[C@H](O)[C@H](Oc2ccc3c(c2C)OC(=O)[C@H](NC(=O)c2ccc(O)c(CC=C(C)C)c2)C3=O)OC1(C)C	575623582	NCRNFXDIIHROHW-JURLHDAHSA-N	612.632	2.877	0	40	KFAB	in-vitro
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCOc2ccc(Cl)cc2)CC(=O)N[C@H](Cc2ccccc2)C1=O	643578966	LYHWETBLVULMJY-RRPNLBNLSA-N	607.107	2.992	0	40	KFAB	
CCc1nnc(NC(=O)CN2CC[C@@H]3NC(=O)[C@@H](Cc4ccccc4)NC(=O)C4(CC=CC[C@@H]3C2)CCOCC4)s1	1615126692	MTMPFXKWQHCERT-TZRRMPRUSA-N	580.755	2.720	0	40	KFAB	
C[C@@H]1CCc2c(sc3nc(SCC(=O)N[C@H]4CCS(=O)(=O)C4)n(-c4ccccc4)c(=O)c23)C1	9003926	JWIGEQIKEZAQMW-CABCVRRESA-N	503.671	2.967	0	40	KFAB	
CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCN2CCOCC2)cc1	12469831	LYAHOZWLUCWSBX-QFIPXVFZSA-N	528.606	2.666	0	40	KFAB	
COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(C)c2)cc1	12711400	GRJXCCVUXJOTMJ-DENIHFKCSA-N	523.615	2.825	0	40	KFAB	
CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1	12976417	DQASGIPDTJCZEC-SFTDATJTSA-N	513.632	2.555	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCCO4)c(=O)n2[C@H]1c1ccc(OCC)cc1	15019863	UODVUIISJDIRBV-FCKOQQNDSA-N	506.580	2.968	0	40	KFAB	
O=C(Nc1ccc(F)cc1)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	20239173	UADFIPGQHVZMDK-JOCHJYFZSA-N	503.577	2.528	0	40	KFAB	
COc1ccc(-c2n[nH]c(SCC(=O)N(CC(C)C)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)n2)cc1	38152218	HHODFOMHWDNAPW-UHFFFAOYSA-N	535.630	2.742	0	40	KFAB	
CN(CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	38152268	MSZVLFGOMWHHBO-UHFFFAOYSA-N	548.971	2.889	0	40	KFAB	
Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1OCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1	59852081	BDLOKRKWIWQGLR-UHFFFAOYSA-N	559.666	2.512	0	40	KFAB	
COc1cccc(CNC(=O)c2c(N)n(-c3ccc(S(N)(=O)=O)cc3)c3nc4ccccc4nc23)c1OC	97950359	JWLYUPCHPDJETK-UHFFFAOYSA-N	532.582	2.751	0	40	KFAB	
CN(CN1CCCCC1)C(=O)N(C[C@@H](N(C)CN1CCCCC1)N(C=O)CN1CCCCC1)CN1CCCCC1	104813832	MVFZHJIJTPVVHB-LJAQVGFWSA-N	562.848	2.830	0	40	KFAB	
C[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O	224222920	RFYWJOGYPCKYCJ-CQSZACIVSA-N	538.475	2.593	0	40	KFAB	
CCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O	224580110	KHAJMWFYNQTNOW-QFIPXVFZSA-N	533.647	2.914	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O	225374101	OZMHZXSULZQPBB-MOPGFXCFSA-N	515.632	2.952	0	40	KFAB	
COc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCCOc3ccc(S(=O)(=O)N(C)C)cc3)Oc3ccc(Cl)cc32)cc1	260891020	WPYXMVLBINNOML-RUZDIDTESA-N	610.110	2.750	0	40	KFAB	
COc1ccc(N(CC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)S(=O)(=O)c2ccccc2)c(OC)c1	408621320	RHRSQURMWGMDCX-UHFFFAOYSA-N	510.572	2.728	0	40	KFAB	
CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OCC(=O)OC)c(I)c2)C1=O	409010983	FBJLXDVBTUAGPA-CEITULEQSA-N	519.313	2.831	0	40	KFAB	
CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Br)c(OCC(=O)OC)c(OC)c2)C1=O	409016729	VMQIMPXBLPZQMB-WWNSAXIVSA-N	502.339	2.997	0	40	KFAB	
COCC(=O)N1CCCN(CC(C)C)CCCN(C(=O)CN2CCN(C(C)C)CC2)Cc2cc(F)ccc21	643572596	ILCZZOIUDDCQKH-UHFFFAOYSA-N	533.733	2.912	0	40	KFAB	
CCOC(=O)CN(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)[C@@H](C(=O)NC(C)(C)C)c1ccc(F)cc1	6546282	IVUXFCQCRNWTFE-JOCHJYFZSA-N	514.533	2.666	0	40	KFAB	
CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc4ncccc4c3)c(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	8399556	LZIVYAKKXSTFNT-PXPWAULYSA-N	609.584	2.828	0	40	KFAB	
CCOC(=O)N1CCN(C(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)CC1	20233748	XLRIGJHBFJZNQN-UHFFFAOYSA-N	510.410	2.945	0	40	KFAB	
CCCCCN(C(=O)COC(=O)COc1c(C)cc(C)cc1C)c1c(N)n(CCCC)c(=O)[nH]c1=O	23079670	HYZLXCQSLNILHY-UHFFFAOYSA-N	502.612	2.990	0	40	KFAB	
COC(=O)C[C@@](O)(CCCC(C)(C)O)C(=O)O[C@H]1C(OC)=C[C@@]23CCCN2CCc2cc4c(cc2[C@@H]13)OCO4	28112111	HYFHYPWGAURHIV-XHZCKAMJSA-N	545.629	2.581	0	40	KFAB	
COc1ccc(CCNC(=O)C(=O)NC[C@@H](c2ccco2)N2CCN(c3ccccc3)CC2)cc1OC	56945174	KUCCAGHOPWDZKI-QHCPKHFHSA-N	506.603	2.635	0	40	KFAB	
CCOC(=O)C1CCN([C@@H](c2cc3cc(OC)ccc3[nH]c2=O)c2nnnn2Cc2ccccc2)CC1	57594566	PBNMHLCBTPZLOT-DEOSSOPVSA-N	502.575	2.936	0	40	KFAB	
COc1ccc(CCN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@@H]2CCCO2)c2cccnc2)cc1OC	100337240	RNDMYLUYBGGLHF-MUAVYFROSA-N	558.639	2.951	0	40	KFAB	
COc1ccc(-c2nc(S(=O)(=O)c3ccc4c(c3)OCCO4)c(N3CCC(C(N)=O)CC3)o2)cc1OC	101509082	WVRZIOMKDGMBFZ-UHFFFAOYSA-N	529.571	2.665	0	40	KFAB	
O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1cccc(Cl)c1	102245847	JPIPENXLHQZIJD-NRFANRHFSA-N	537.970	2.837	0	40	KFAB	
Cc1ccccc1Nc1nc(N)nc(COC(=O)CCCCCNS(=O)(=O)c2ccc3c(c2)OCCO3)n1	103066069	XOELZWGASBILNW-UHFFFAOYSA-N	542.618	2.859	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	222527865	JPJAFPHDQROPCG-LAUBAEHRSA-N	501.605	2.562	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O	222804290	IJIGUIDGKOQQSX-MRXNPFEDSA-N	526.453	2.695	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	223018533	ZNMVUVOOXFBLCC-MRXNPFEDSA-N	554.463	2.887	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1	224302378	XPFKCJAOWXPNRQ-SANMLTNESA-N	571.677	2.623	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2ccccc2OC)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C)cc1	224468080	VSBYAIFRVOBYLN-IBGZPJMESA-N	505.637	2.659	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)Nc1ccccc1C(=O)N1CCCC1	224484927	UOQRAHKFEDMBQS-UHFFFAOYSA-N	501.605	2.523	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O	225486414	DUXFQGJGPDQEGU-CYBMUJFWSA-N	518.380	2.657	0	40	KFAB	
CN(CC(=O)N1C[C@@H](C(=O)NCCc2ccccc2)Oc2ccccc21)S(=O)(=O)c1ccc(F)cc1	226036535	QDCGALYQAGSIFR-DEOSSOPVSA-N	511.575	2.599	0	40	KFAB	
COC(=O)[C@]1(c2ccccc2)N[C@H](c2ccc(OC)cc2OC)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21	245230600	VCVXVWDIPVACJE-DZNDNOMISA-N	544.560	2.994	0	40	KFAB	
COc1cccc(OC)c1C(=O)NN1C[C@@H](C(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)CC1=O	408650524	BFFFGIBRHYLOJO-LBPRGKRZSA-N	510.330	2.686	0	40	KFAB	
COC(=O)CN1C(=S)N(C)C(=O)/C1=C/c1cn(CC(=O)N2CCCC2)c2ccc(Br)cc12	409143007	MOJYRRDNVPCVCP-NVMNQCDNSA-N	519.421	2.599	0	40	KFAB	
CS(=O)(=O)CC[C@@H](C(=O)OCC(=O)c1ccc(F)cc1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O	409178425	HUTBUZKIHIXLNE-KRWDZBQOSA-N	516.330	2.958	0	40	KFAB	
Cc1cccc(OCCNC(=O)[C@@H]2CCC(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)CCOc3ccccc3C(=O)N2)c1C	643580777	UPDRPDFDRUQNSK-NSOVKSMOSA-N	600.716	2.956	0	40	KFAB	
CN1CC2(CCN(C(=O)c3cnc4ccccc4c3)CC2)C[C@@H](O)[C@@H](O)Cc2ccccc2OCC1=O	2037946903	XCQVGBFSDWRJJZ-LOSJGSFVSA-N	503.599	2.663	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(O)c(OCC)c1	2776965	SHPFZMWMEQBAIK-VVOOWDFBSA-N	510.568	2.617	0	40	KFAB	
COC(=O)c1cc(NCc2cc(Br)c(OCC(N)=O)c(OC)c2)ccc1N1CCOCC1	9907719	DOPYNIGNPMSWDO-UHFFFAOYSA-N	508.369	2.557	0	40	KFAB	
Cc1cc(C)cc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(O)cc2)c1	12474048	UBXXNLUAACSIEY-KNQAVFIVSA-N	523.615	2.830	0	40	KFAB	
Cc1ccc(N(C(=O)C[S@@](=O)CC(=O)Nc2ccc3c(c2)OCO3)[C@H](C)C(=O)NC2CCCC2)cc1	19941213	RPQZFLFJJLNZBK-NNIOICJLSA-N	513.616	2.891	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)Cc2ccccc2)cc1Cl	59838145	HAVXAROPVYYKKU-UHFFFAOYSA-N	552.074	2.893	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(C[C@H]3CCCO3)[C@@H](C(=O)NC(C)(C)C)c3ccc(C)o3)n2)cc1OC	100276071	HVEMTLAXTXUGQH-NTKDMRAZSA-N	540.621	2.922	0	40	KFAB	
COc1cc2c(=O)n(Cc3ccc(C(=O)N4CCCC4)cc3)c(=O)n(CC(=O)NC3CCCC3)c2cc1OC	102524173	HFQSQSHZIMGXPC-UHFFFAOYSA-N	534.613	2.524	0	40	KFAB	
CCOC(=O)N1CCN(C(=O)CNc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)CC1	108450823	AQLFKGIIQQCYJE-QFIPXVFZSA-N	582.654	2.576	0	40	KFAB	biogenic
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	222876337	KVDVJCPQIKBKCM-AREMUKBSSA-N	556.660	2.833	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	222964737	WJBAEEJXDVOARB-IBGZPJMESA-N	505.637	2.803	0	40	KFAB	
COc1ccc(CN(C(=O)CCN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)cc1	223087920	CVZFSIFGAUVBIG-KRWDZBQOSA-N	501.605	2.562	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O	224044752	ICFQEUZKIIUJAP-IBGZPJMESA-N	505.637	2.803	0	40	KFAB	
O=S1(=O)NC[C@H](O)CN(Cc2nccs2)C[C@]2(COc3cc(-c4cccc(C(F)(F)F)c4)ccc31)C[C@H](O)[C@H](O)C2	253397448	FQXSSCIXZFKVGK-IFOBJOEFSA-N	613.680	2.865	0	40	KFAB	
O=S1(=O)NC[C@H](O)CN(CC2CC2)C[C@]2(COc3cc(-c4cccc(C(F)(F)F)c4)ccc31)C[C@H](O)[C@H](O)C2	253401253	MQPXSFCFLPOXER-WOLJRWFJSA-N	570.630	2.618	0	40	KFAB	
C[C@H](C(=O)NC[C@H]1CCCO1)N(Cc1ccc(Cl)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O	260927206	NTQKBFOADCTUPW-AUSIDOKSSA-N	522.067	2.814	0	40	KFAB	
O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)Nc1ccc(I)cc1	408596821	SJRQVMZOXDYKNZ-UHFFFAOYSA-N	536.775	2.983	0	40	KFAB	
Cc1ccc(SCCNC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1	408859662	OSFRMFCBOFVKPA-RUZDIDTESA-N	559.735	2.967	0	40	KFAB	
COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3OC)S(C)(=O)=O)cc2)c1	408923250	AWQITGYKCMDLEQ-UHFFFAOYSA-N	549.627	2.918	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1	409038129	DQWXIDUVMDJDSB-ZEKHAJRLSA-N	580.707	2.939	0	40	KFAB	
CCOC(=O)COc1c(Br)cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)cc1OC	409068669	USQKPNCHENRHPT-WWNSAXIVSA-N	502.339	2.997	0	40	KFAB	
COCCCN1C(=O)S/C(=C/c2cc(I)c(OCC(=O)OC)c(OC)c2)C1=O	409221517	RKIRSCUPWIOURG-NTEUORMPSA-N	521.329	2.924	0	40	KFAB	
O=S1(=O)CC[C@@H](N(CC[C@H]2CCCO2)S(=O)(=O)c2cc(Br)ccc2Br)C1	575420910	FOFNIPFTBUTHMS-ZIAGYGMSSA-N	531.288	2.959	0	40	KFAB	
COCC(=O)N1CCN(Cc2cccc(OCCn3ccnc3C)c2)C[C@@](O)(COc2ccc(C)cc2)C1	585274792	OAYGILOYTUEEAV-LJAQVGFWSA-N	522.646	2.680	0	40	KFAB	
Cc1cc(OC[C@]2(CC(=O)N(C)Cc3ccccc3)CN(C(=O)CN3CCN(C)CC3)CCO2)ccc1Cl	585285605	LUVSUDKFMOKAGZ-LJAQVGFWSA-N	543.108	2.921	0	40	KFAB	
Cc1cc2cc([C@H](c3nnnn3Cc3ccco3)N3CCN(C(=O)c4ccco4)CC3)c(=O)[nH]c2cc1C	1381891	HSLQHUKBSLPLMS-XMMPIXPASA-N	513.558	2.913	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccccc43)c(=O)n2[C@H]1c1ccc(Br)cc1	2697454	MBCGLJODMDMKAX-HQMFNGAOSA-N	524.396	2.883	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1	4508995	BRPGXOOVRBWRMI-XPCGLTFESA-N	522.579	2.741	0	40	KFAB	
Cc1cc(C)cc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)S(C)(=O)=O)c1	20493372	OPAZAFCJSQHJSI-SFHVURJKSA-N	517.633	2.996	0	40	KFAB	
CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)CC1	38140338	OXRCGFXCJZSTFN-YNJKOYDBSA-N	543.686	2.739	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(S(=O)(=O)N4CCCC4)ccc3OC)C2)cc1	60028906	TZIUJTULBMFDLQ-SFHVURJKSA-N	537.660	2.528	0	40	KFAB	
COc1ccc(CCNC(=O)COc2coc(CN3CCc4cc(OC)c(OC)cc4C3)cc2=O)cc1OC	70666072	SZNJLZSXOGIOOZ-UHFFFAOYSA-N	538.597	2.970	0	40	KFAB	biogenic
CC(=O)OC[C@@H]1O[C@H](Oc2ccc(-c3coc4cc(OC(C)=O)cc(OC(C)=O)c4c3=O)cc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	85893711	QINULWUIRTUVTD-IJXSEIHBSA-N	684.603	2.773	0	40	KFAB	biogenic
COC(=O)C1CCN(C(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)CC1	100083479	YYJVUQYGGAUTFR-UHFFFAOYSA-N	541.022	2.973	0	40	KFAB	
COc1cccc(CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C(=O)NC[C@@H]2CCCO2)c2cccs2)c1	100378030	DTBYDXBQXRIHNJ-HFZDXXHNSA-N	583.688	2.967	0	40	KFAB	
COc1ccc(OC)c(NC(=O)[C@@H](C)OC(=O)c2ccccc2NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1	102975166	UPMOEPQKLVVFGC-CQSZACIVSA-N	540.554	2.858	0	40	KFAB	
COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)S(C)(=O)=O)cc1Cl	215982817	HNGGDFXOMDCEOU-UHFFFAOYSA-N	525.008	2.949	0	40	KFAB	
COc1ccc(CN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)[C@@H](C)C(=O)NCc2ccncc2)cc1	222938251	BSDJQGWGLGPRDF-NRFANRHFSA-N	524.643	2.586	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O	225397549	RAHRBVPLBBVQTC-RBUKOAKNSA-N	505.637	2.802	0	40	KFAB	
COc1ccc(OC)c(N(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)c1	225483669	KICSKBYQROADKM-IBGZPJMESA-N	505.637	2.720	0	40	KFAB	
COC(=O)[C@]1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)C[C@H](O)[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@@H]6O)[C@](C)(CO)[C@@H]5CC[C@@]43C)[C@@H]2C1	247853265	SFZVDNKTWPZIJG-OEJOFXQKSA-N	664.833	2.793	0	40	KFAB	endogenous,in-man
COC(=O)c1ccc(NC(=O)COC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1	408689131	RLDWTZCCBVSUIS-PDVDRFNYSA-N	504.539	2.597	0	40	KFAB	
COc1ccc(OC)c(NC(=O)COC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1	408690791	WRODIVHKURHZGL-KXAAMDFLSA-N	504.539	2.604	0	40	KFAB	
COCCCN1C(=O)S/C(=C/c2cc(I)c(OCC(=O)O)c(OC)c2)C1=O	409228628	BTSBTNQYPPDJHT-MDWZMJQESA-N	507.302	2.836	0	40	KFAB	
COc1cccc([C@@H]2[C@@H](C(C)C)CN(C(C)=O)C[C@H](OC)[C@@H](O)[C@@H](O)COCCCCN2Cc2cn(C)cn2)c1	643913170	IRPATVCEQHYKBE-QBHLCAJUSA-N	560.736	2.640	0	40	KFAB	
COC(=O)C[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc2c(c1)C1(OC2=O)c2ccc(O)cc2Oc2cc(O)ccc21)C(C)C)C(=O)CF	1350724122	MQKJXHFMXDJWAX-AQNWAMGASA-N	854.841	2.945	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(Cc3ccc4c(c3)OCO4)[C@@H](C)C(=O)NC3CCCC3)n2)cc1OC	885947	PUCYXRNMYVIXAR-KRWDZBQOSA-N	536.589	2.562	0	40	KFAB	
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cc4c(=O)n5ccccc5nc4n3C)cc2)n1	2358754	DTFYJPKWYZYJFX-UHFFFAOYSA-N	503.544	2.646	0	40	KFAB	
CCOc1ccccc1NC(=O)CSc1ccc2nnc(CCNS(=O)(=O)c3ccccc3)n2n1	8589362	IROGQQAKLRJZSV-UHFFFAOYSA-N	512.617	2.775	0	40	KFAB	
CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1	12540628	YDFFQRFAXYSRFT-FQEVSTJZSA-N	500.646	2.994	0	40	KFAB	
Cc1cc(Br)ccc1NC(=O)CNC(=O)CN(C)CC(=O)Nc1ccc(F)c(F)c1F	12895665	VTNZMDYTSFHFLJ-UHFFFAOYSA-N	501.303	2.800	0	40	KFAB	
CC(C)CNS(=O)(=O)c1ccc(OCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(Cl)c1	32125461	ZKGMIIMSBGQINK-UHFFFAOYSA-N	524.039	2.726	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O	38755353	WOCVLDCXSMXHLC-HNNXBMFYSA-N	516.041	2.926	0	40	KFAB	
Cc1nc2c(C)cccn2c(=O)c1Cc1nnc(SCC(=O)N[C@H](C)c2nc3ccccc3[nH]2)n1C	41078205	KYJCTGIMOQSOAV-MRXNPFEDSA-N	502.604	2.876	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O	44901459	HRCZWWSEZBPUDO-SFHVURJKSA-N	509.650	2.890	0	40	KFAB	
COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1	59838186	DLFJPTJHYKRUMO-INIZCTEOSA-N	530.068	2.506	0	40	KFAB	
O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccc(Cl)cc2)CC1)Nc1cccc(C(F)(F)F)c1	102253634	JJXBMCXAOCRDLC-OAQYLSRUSA-N	537.970	2.837	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccccn4)c(C)oc3c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	170621399	ARWVTIKJEMLWAI-FECQQHJKSA-N	583.546	2.625	0	40	KFAB	
COc1ccc(C(=O)N2C[C@@H](C(=O)NCc3ccccc3)Oc3ccccc32)cc1S(=O)(=O)N(C)C	222910602	KYEOYSWSFOQLTL-QHCPKHFHSA-N	509.584	2.670	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	223114113	LMKRIEWFGMPFLK-DLBZAZTESA-N	507.584	2.652	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223115512	BQUJYOKPHWHVMK-QZTJIDSGSA-N	521.611	2.695	0	40	KFAB	
O=C(NCCO)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1	223325596	QAYMXAXJGCMZFF-MUUNZHRXSA-N	535.666	2.939	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)N(C)Cc1nc(-c2ccc(C)cc2)no1	223720804	MQAVWPNZAAOLGB-UHFFFAOYSA-N	514.604	2.666	0	40	KFAB	
COc1cccc(-c2noc(CNC(=O)CCc3cc(S(=O)(=O)N4CCCC4)ccc3OC)n2)c1	225127140	RFHGMCJWVGSKCT-UHFFFAOYSA-N	500.577	2.787	0	40	KFAB	
Cc1ccc(S(=O)(=O)NCCNC(=O)CN(Cc2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1	226031337	GPGOGBUCTQPMGB-UHFFFAOYSA-N	529.684	2.897	0	40	KFAB	
COC(=O)CN1C(=O)N/C(=C/c2cc(I)c(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)C1=O	408547845	AFSBZXKJAOXOSQ-LZYBPNLTSA-N	583.310	2.522	0	40	KFAB	
Cc1ccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NCCCN4CCOCC4)CC3=O)cc2)cc1Cl	408577115	IFPQHLAUOCXKLR-FQEVSTJZSA-N	529.037	2.857	0	40	KFAB	
COc1ccccc1C(=O)NN1C[C@H](C(=O)OCC(=O)Nc2cc(C)c(Br)cc2C)CC1=O	408660007	UHWHPBZUTSWHRF-OAHLLOKOSA-N	518.364	2.750	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/[C@H]3C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)c(=O)n2[C@@H]1c1ccc(C)cc1	408834691	UYZBVYFZORVSJU-UWWJJSIVSA-N	595.102	2.776	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)cc3O)c(=O)n2[C@H]1c1cccc(OC)c1OCC	408915169	YKIGKJDEEYHULW-PZDOZLBDSA-N	510.568	2.617	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/[C@H]3C(=O)N(c4ccccc4)N=C3C)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	409017807	HQCCRUJZXOBOHY-XTTSXFIUSA-N	544.589	2.518	0	40	KFAB	
COC(=O)COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)cc1	409194294	ABUWXBBDDVNAEQ-STZFKDTASA-N	511.556	2.750	0	40	KFAB	
COCC(=O)N1CCCN(C(C)C)CCN(C(=O)CCc2ccc3c(c2)n(C)c(=O)n3C)Cc2ccccc21	643554853	ORFMDWNGECUNPI-UHFFFAOYSA-N	535.689	2.932	0	40	KFAB	
CCOc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)C2CCCC2)cc1	6601703	XYTSBBZRVWEFLL-WIYYLYMNSA-N	515.636	2.644	0	40	KFAB	
COc1ccc(/C=C/C(=O)NCc2nnc(SCC(=O)Nc3cccc(C(=O)O)c3)n2C)cc1OC	10041484	UMGCIXUUESROQA-CSKARUKUSA-N	511.560	2.591	0	40	KFAB	
COc1cc([C@H]2C/C(=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)NN2C(C)=O)cc(OC)c1OC	13576419	PEKDVDZCFYUPOK-XUMLYMLNSA-N	514.922	2.701	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NS(=O)(=O)c1cc(/C=C/C(=O)O)ccc1OC	14092822	XKTXHZHIMAXVQH-YRNVUSSQSA-N	510.590	2.777	0	40	KFAB	
CCOC(=O)C1=C(N)n2c(s/c(=C/c3ccc(C)cc3)c2=O)=C(C(=O)OCC)[C@@H]1c1ccc(C)cc1	34366974	XKLBQSKELPQYFC-LSSXRZCCSA-N	504.608	2.557	0	40	KFAB	
Cn1c([C@@H](C(=O)NC[C@@H]2CCCO2)N(Cc2ccc(F)cc2)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)nc2ccccc21	100378068	MEEMPYVBLJGDCJ-DWACAAAGSA-N	619.675	2.922	0	40	KFAB	
C[C@H](C(=O)NCc1ccco1)N(Cc1ccc(F)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O	222861374	MXWVMPNBWHPGMP-LJQANCHMSA-N	501.580	2.914	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(CS(=O)(=O)N2CCCC2)cc1	224406325	ZUZQYXAFPPCOEP-UHFFFAOYSA-N	535.688	2.596	0	40	KFAB	
O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1	224464068	LNVYLENLXJWFDE-UHFFFAOYSA-N	509.433	2.513	0	40	KFAB	
CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	224729673	BHGDOJWSQPLMIF-IBGZPJMESA-N	503.621	2.823	0	40	KFAB	
Cc1cc(Br)ccc1NC(=O)COc1ccc(N2C[C@@H](C(=O)NCCCN3CCOCC3)CC2=O)cc1	408577709	JAWYWUXVTDYYDK-FQEVSTJZSA-N	573.488	2.966	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCC(=O)O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409042948	LTXVCKPCBDGDHG-TWBUYNNTSA-N	719.563	2.983	0	40	KFAB	
Cc1nc(Nc2ncc(-c3ccccc3)s2)cc(C2CCN(C(=O)CN3CCN(CCO)CC3)CC2)n1	585263399	YKBSIANXVKTSSK-UHFFFAOYSA-N	521.691	2.968	0	40	KFAB	
COc1cccc(N2CCC(O)(CN3CCN(C(C)=O)C[C@@](O)(COc4ccc(C)c(C)c4)C3)CC2)c1	585287581	OVEPOIROAOGWNU-GDLZYMKVSA-N	511.663	2.618	0	40	KFAB	
CC(C)c1nccn1CCC(=O)N1CCCCNC(=O)c2cc(Cl)ccc2OC[C@@H](C)NC(=O)C1	643559418	VYSAEXBUXCYZAV-GOSISDBHSA-N	504.031	2.986	0	40	KFAB	
COc1ccc(CCCNC(=O)[C@@H]2CCC(=O)N3CCC[C@@H]3C(=O)N[C@@H](C(C)C)COc3ccccc3C(=O)N2)cc1OC	643571028	RXSRUABTFIVSII-JIMJEQGWSA-N	608.736	2.856	0	40	KFAB	
O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)Nc1ncc(Cl)cc1Cl	3258826	OPRJDLKXHUPSEA-UHFFFAOYSA-N	508.767	2.858	0	40	KFAB	
COC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H]1CN(C(=O)c2ccc(N(C)C)cc2)CCN1C(=O)C1CCCCC1	4147945	BAWHEBDLYQMULS-WUFINQPMSA-N	578.710	2.895	0	40	KFAB	biogenic,in-vitro
COc1ccc(COC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)OCc2ccccc2)cc1	5542197	CRXSREULUSVSDD-LVXARBLLSA-N	547.608	2.897	0	40	KFAB	
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(=O)(=O)N(C)C)cc3)cc2)cc1	9694816	DHARDWHZPGDYCX-UHFFFAOYSA-N	518.617	2.991	0	40	KFAB	
COc1ccc(CCN2C(=O)N[C@@](NC(=O)c3ccc(OC)c(OC)c3)(C(F)(F)F)C2=O)cc1OC	12371297	RGNXVNIUOBHCHY-JOCHJYFZSA-N	511.453	2.504	0	40	KFAB	
CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)cc1	59851873	CWSORCALQGZIPW-UHFFFAOYSA-N	589.692	2.602	0	40	KFAB	
COc1cc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)o2)cc(OC)c1OC	97963816	ZGSPGHPFNYDOJC-GJZGRUSLSA-N	532.575	2.813	0	40	KFAB	
COc1cc2c(=O)n(Cc3ccc(C(=O)N4CCCC4)cc3)c(=O)n(CC(=O)N3CCC[C@H](C)C3)c2cc1OC	102524197	WQCRREBNUQPZKN-FQEVSTJZSA-N	548.640	2.723	0	40	KFAB	
CC(=O)N[C@H]1[C@@H](Oc2cccc(Nc3nc(-c4ccc(C)cc4)nc4ccccc34)c2)O[C@H](CO)[C@H](O)[C@@H]1O	170593547	DTQGGFOPSZLQAV-KPTFLJRUSA-N	530.581	2.671	0	40	KFAB	
CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O	222996632	ZRUVVEWSXBTHKQ-OAQYLSRUSA-N	503.621	2.823	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	223067453	UOYVOXRJFGDGKC-MRXNPFEDSA-N	543.459	2.754	0	40	KFAB	
CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223235699	BHYVKWMNBNVTFC-OAQYLSRUSA-N	521.611	2.697	0	40	KFAB	
COc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC	224206710	ASRIAJVXNIOWQG-UHFFFAOYSA-N	591.708	2.653	0	40	KFAB	
COc1ccc(S(=O)(=O)NCc2ccc(CN3CCOCC3)cc2)cc1C(=O)N1CCC(C)CC1	224564159	YDQDEGQFVDZVFU-UHFFFAOYSA-N	501.649	2.878	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	224765612	FLVDPBUOCPLLOJ-HXUWFJFHSA-N	517.648	2.866	0	40	KFAB	
CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1	255987069	MCLIWYJPFOGXEU-DTXPUJKBSA-N	643.697	2.677	0	40	KFAB	
Cc1ccc(Cl)cc1NC(=O)COc1ccc(N2C[C@@H](C(=O)NCCCN3CCOCC3)CC2=O)cc1	408576438	HDJZJIWABOLKCY-FQEVSTJZSA-N	529.037	2.857	0	40	KFAB	
COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCCN1CCOCC1)c1ccc(C)c(Cl)c1	408620019	IRTHBTOXSAFFNK-UHFFFAOYSA-N	510.056	2.999	0	40	KFAB	
O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1	408680644	OVWTXOADOAVXHB-UHFFFAOYSA-N	542.079	2.541	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1	408836219	ZVCRTWLPTRXRND-QYAMMSNYSA-N	522.579	2.579	0	40	KFAB	
CC(C)C[C@H]1NC(=O)C[C@@H](C(=O)NCCOc2ccc(F)cc2)NC(=O)c2ccccc2OC[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O	643574834	UHJAPUKCESICJQ-JMJMSVOMSA-N	689.785	2.619	0	40	KFAB	
CC(=O)N[C@H](Cc1ccccc1F)C(=O)NC1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1	13565634	RUDJLLZDNQEJFS-OAQYLSRUSA-N	515.529	2.861	0	40	KFAB	
CNC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)sc2c1CCN(C(C)C)C2	38139096	ZQGHTCXIDXWARA-IAGOWNOFSA-N	534.704	2.924	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCCC3)CC2)cc1	103048680	NJXZRQNOMDSGRW-UHFFFAOYSA-N	576.741	2.656	0	40	KFAB	
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CN(S(C)(=O)=O)c4cc(Cl)ccc4O3)cc2)n1	139715786	LERNZQQRTAPOAN-HXUWFJFHSA-N	552.034	2.713	0	40	KFAB	
CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223915415	XOJOXJWRZFDWMG-KRWDZBQOSA-N	568.490	2.930	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)c3ccccc3O2)cc1	224233429	GXOFQFNSJGZYDW-DEOSSOPVSA-N	580.084	2.742	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1cccc(Br)c1)[C@@H](C)C(=O)NC)c1ccc2c(c1)OCCO2	225461494	OVXSLLZCWAGDMT-INIZCTEOSA-N	554.463	2.540	0	40	KFAB	
COc1cccc(-c2noc(CN(C)C(=O)CCCN(c3ccc4c(c3)OCCO4)S(C)(=O)=O)n2)c1	225562805	QZFNBKKXUFPBIT-UHFFFAOYSA-N	516.576	2.721	0	40	KFAB	
S=C(NCCN1CCOCC1)Nc1nc(Sc2ncccn2)cc(N2CCc3ccccc3C2)n1	225904911	VKMWQWULITZNJS-UHFFFAOYSA-N	508.677	2.599	0	40	KFAB	
O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1	408695566	RHBXYFGLMORQRU-UHFFFAOYSA-N	509.625	2.791	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)o3)c(=O)n2[C@H]1c1ccc(Br)cc1	409002846	WVBXLNWMYNAIOI-DJAVKIJBSA-N	558.454	2.990	0	40	KFAB	
CCn1c(CCC(=O)N2CCC3(CCCCOC[C@H](C)NC(=O)[C@H](C)NC3=O)CC2)nc2ccccc21	643564124	MAMNBMHCRLEXTH-SFTDATJTSA-N	511.667	2.808	0	40	KFAB	
COC(=O)/C=C/CC/C=C/[C@H](OC)[C@H](O)[C@H](C)/C=C(/C)[C@H](O)[C@@H](C)C(=O)CCCC1CC(=O)NC(=O)C1	1775963849	GNDOFUKVROHLCO-UFZNAXAKSA-N	521.651	2.800	0	40	KFAB	biogenic,in-vitro
CC(C)CCNC(=O)[C@@H](c1ccc(F)cc1)N(CCCO)C(=O)Cn1nnc(-c2ccc(F)cc2)n1	6134155	NOGNYSQTVKMNPK-HSZRJFAPSA-N	500.550	2.733	0	40	KFAB	
Cc1ccc(-n2c(=O)c3ccc(C(=O)NCc4ccco4)cc3n(CC(=O)Nc3cc(C)n[nH]3)c2=O)cc1	9693192	WPIMUMOKBFBYBD-UHFFFAOYSA-N	512.526	2.654	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1	12595872	CVGJVMACGCNMPV-UHFFFAOYSA-N	521.661	2.833	0	40	KFAB	
C[C@H](C(=O)NC1CCCC1)N(C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1F	12709750	YCZMQZUMHHIFQQ-RJDSNXINSA-N	517.579	2.722	0	40	KFAB	
COC(=O)Cn1c(=O)c(C(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2C)c(N)n(Cc2ccccc2)c1=O	103086421	IUMZOLIEVRTBHF-UHFFFAOYSA-N	597.657	2.740	0	40	KFAB	
CCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	225372745	VDYSTIYDWNFBIR-QFIPXVFZSA-N	535.663	2.812	0	40	KFAB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-n1cnnc1	225388238	RHXYRAVWPRRLLC-FGZHOGPDSA-N	508.633	2.951	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O	225465678	OBPNAONDTQJIIB-HNNXBMFYSA-N	522.421	2.537	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)[C@H](C)C(=O)NC(C)(C)C)c1	260801852	QOKNWRWCBSIIAI-LJQANCHMSA-N	504.653	2.640	0	40	KFAB	
COc1ccccc1C(=O)NN1C[C@H](C(=O)OCC(=O)Nc2ccc(Br)c(C)c2C)CC1=O	408654055	JHUXKFKIPKATFT-OAHLLOKOSA-N	518.364	2.750	0	40	KFAB	
CS(=O)(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc2c(c1)OCO2	408704600	QHYXZOKWZXBYMF-UHFFFAOYSA-N	523.633	2.775	0	40	KFAB	
Cc1cccc2cc([C@H](CC(N)=O)c3oc(CN4C[C@@H]5C[C@H](C4)Cn4c5cccc4=O)cc(=O)c3O)c(O)nc12	524731361	UISITMQRMUBPKX-LMNJBCLMSA-N	542.592	2.696	0	40	KFAB	biogenic
COc1ccc(CN(CC(=O)NCCC(C)C)C(=O)Cn2nnc(-c3ccc(OC)c(OC)c3)n2)cc1	6133958	VSWCSWTVZBCSQG-UHFFFAOYSA-N	510.595	2.557	0	40	KFAB	
CCOC(=O)C[C@H](NC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(C)cc1)c1ccc(OC)cc1	29747426	ZJILGJSIAZTAJW-QFIPXVFZSA-N	579.679	2.702	0	40	KFAB	
COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(-n3cnnn3)c(C)c2)cc1	33356959	LVFKPXAAIOVGRJ-GIGWZHCTSA-N	581.637	2.794	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OC)c3C(=O)O)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	101535716	WQXVQUVYCJSUKW-MTCPJELPSA-N	568.604	2.531	0	40	KFAB	
O=C(CCCC(=O)CCN1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)CCN1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2	104236807	CHIXQIPUSKSEFY-QORCZRPOSA-N	532.685	2.637	0	40	KFAB	biogenic
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	105497751	CKMNLNXGRHCUJL-VVNKCDPRSA-N	552.605	2.749	0	40	KFAB	
CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	222829206	PSZXAGXWWLWTHU-OAQYLSRUSA-N	519.620	2.522	0	40	KFAB	
COC(=O)CSc1nnc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)cc2)s1	223139090	BIDMHEJMERYVJB-UHFFFAOYSA-N	508.603	2.646	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1	224465173	NGDVNAXIOJRTMJ-FQEVSTJZSA-N	620.577	2.751	0	40	KFAB	
CN(Cc1ccccc1)C(=O)C[C@H]1CN(C(=O)CNS(C)(=O)=O)CC[C@@H]1Oc1cccc(Br)c1	257203015	AOHRBRSUBVXJAW-UGKGYDQZSA-N	552.491	2.643	0	40	KFAB	
COc1ccc(N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)cc1OC	260758393	DFKHRMIGUYECIL-HXUWFJFHSA-N	531.675	2.988	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)[C@H](C)C(=O)NC(C)(C)C)cc1	260799636	QETMNLLNGAWUTM-LJQANCHMSA-N	504.653	2.640	0	40	KFAB	
COc1cccc(C(=O)O[C@H](C(=O)NCc2ccccc2OC)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)O)c1	409378825	SBBZCHNDTHFJHD-BJKOFHAPSA-N	537.521	2.864	0	40	KFAB	
CCOC(=O)CNC(=O)[C@@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(C)ccc1C	6546655	WDEFEUIANZUZAX-OAQYLSRUSA-N	527.578	2.648	0	40	KFAB	
O=C(Nc1ccc(N2CCOCC2)cc1)[C@H](c1csnn1)N(Cc1ccco1)C(=O)CN1C(=O)c2ccccc2C1=O	8695992	MLQDOKVHELIFHB-SANMLTNESA-N	586.630	2.973	0	40	KFAB	
COc1ccc2[nH]c(=O)c(CN(Cc3ccc4c(c3)OCO4)C(=S)NCCCN3CCOCC3)cc2c1	19824964	WYQIDQJGKQEKMN-UHFFFAOYSA-N	524.643	2.864	0	40	KFAB	
CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)Oc2ccccc21	19932422	LKWRRICIIKCFCX-OAQYLSRUSA-N	505.549	2.792	0	40	KFAB	
CCC(C)(C)NC(=O)[C@@H](c1cc(OC)c(OC)c(OC)c1)N(CCN1CCOCC1)C(=O)Cn1nnc2ccccc21	100355640	QPPLQSCJEJRZOU-HHHXNRCGSA-N	582.702	2.664	0	40	KFAB	
O=C(Cn1cc(I)c(=O)c(I)c1)OCC(=O)N1CCCc2ccccc21	102172563	ONFOPJXNDMTCKJ-UHFFFAOYSA-N	578.144	2.580	0	40	KFAB	
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN([C@@H]4CC(=O)N(c5cccc(C(C)=O)c5)C4=O)CC3)cc21	102923409	HCUGOGIOMAHBHP-XMMPIXPASA-N	534.544	2.515	0	40	KFAB	
O=C(CCC(=O)N1CCOCCOCCN(C(=O)CCC(=O)OCc2ccccc2)CCOCC1)OCc1ccccc1	103559458	BPCBJZLQVDXGFF-UHFFFAOYSA-N	598.693	2.754	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O	222874687	DKOIPIIGWJRBRM-GVAUOCQISA-N	503.599	2.722	0	40	KFAB	
COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H](C)C(=O)NCc2ccccc2OC)cc1	222935178	XUTCCWILRXUIPP-QHCPKHFHSA-N	611.717	2.837	0	40	KFAB	
CS(=O)(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(F)c(F)c1	223850727	VEQQEACWTXZJDP-UHFFFAOYSA-N	501.577	2.934	0	40	KFAB	
CC(C)(C)CN1CC(=O)N2CC[C@@H](CC(=O)N3CCN(C=O)CC3)[C@@H](/C=C\COc3ccccc3C1)C2	253396932	FGDAFKNQTVGTII-JQWXVRPUSA-N	510.679	2.639	0	40	KFAB	
CCc1noc(CCC(=O)N2CC[C@H](Oc3cccc(Br)c3)[C@@H](CC(=O)N3CCN(C)CC3)C2)n1	257287162	POTWIFNUHCPUOR-RXVVDRJESA-N	548.482	2.787	0	40	KFAB	
CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C3\C(=O)N(CC(=O)OCC)c4ccccc43)c2=O)=N1	409391046	XPODWLIEBQIRJI-FTDPUFCBSA-N	619.696	2.876	0	40	KFAB	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C(=O)NC[C@H]1O[C@H](CCOc3cc(-c4ccncc4)ccc3C(=O)N2)CC[C@@H]1O	514287605	QCGPJQMGASNHDD-LVBBYBRXSA-N	566.655	2.664	0	40	KFAB	
O=C(N[C@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1ccc(C2CCCCC2)cc1)C(Cl)(Cl)Cl	575423709	QALWPOSDAWLXDF-JKSUJKDBSA-N	517.884	2.665	0	40	KFAB	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3OC(C)=O)c(=O)n2[C@@H]1c1ccc(Cl)cc1	633295	LELQLBCFQCBZKB-GSOQPGDSSA-N	540.981	2.912	0	40	KFAB	
COc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCc3ccccc3)N3CCN(C(=O)c4ccco4)CC3)cc2c1	1382161	JVJJTHQMHGNPEM-AREMUKBSSA-N	539.596	2.906	0	40	KFAB	
COc1ccc([C@H]2OC[C@@H]3O[C@@H](O[C@@H]4c5cc6c(cc5[C@H](c5cc(OC)c(O)c(OC)c5)[C@H]5C(=O)OC[C@H]45)OCO6)[C@@H](O)[C@@H](O)[C@@H]3O2)cc1	4429642	PYIDINPDCKPLKA-RNUWHUDCSA-N	680.659	2.700	0	40	KFAB	
CCC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccc(OC)c(OC)c1)C(=O)c1snc(C(N)=O)c1N	6500938	WCUHHGWQGUMLKY-HNNXBMFYSA-N	505.641	2.610	0	40	KFAB	
COc1ccc(CCN[C@@H]2CC(=O)N(c3ccc(N4C(=O)C[C@@H](NCCc5ccc(OC)cc5)C4=O)cc3)C2=O)cc1	8412295	FVYSVRUQFYEDBP-VSGBNLITSA-N	570.646	2.632	0	40	KFAB	
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3cccc(Cl)c3)CC2)N[C@H]1c1ccc(O)c(OCC)c1	10342452	BBZPHLMXFWVHEO-VXKWHMMOSA-N	500.983	2.973	0	40	KFAB	
Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1	12527440	KPGSGZNILYHKSU-UHFFFAOYSA-N	514.648	2.635	0	40	KFAB	
COc1ccc(N([C@@H](C)C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)S(C)(=O)=O)cc1Cl	13680346	YAMUUCNNUXZUBN-INIZCTEOSA-N	510.012	2.576	0	40	KFAB	
C[C@@H](OC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1	14357306	CUZUVSZKBDKJEE-GOSISDBHSA-N	513.572	2.779	0	40	KFAB	
COc1ccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4ccccc4)CC3)c(=O)[nH]c2c1	19940431	QXIUAXDRVBNRSA-DHLKQENFSA-N	501.591	2.614	0	40	KFAB	
COc1cc2cc(CN(Cc3ccco3)C(=S)NCCCN3CCOCC3)c(=O)[nH]c2cc1OC	20081376	ZRHIFHLVGPJEHQ-UHFFFAOYSA-N	500.621	2.737	0	40	KFAB	
CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=S)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1	97948391	AKQNQCGDLSFLBS-UHFFFAOYSA-N	566.771	2.708	0	40	KFAB	
CCOC(=O)c1ccc2c(c1)s/c(=N\C(=O)c1ccc(S(=O)(=O)N3CCCC3)cc1)n2CC(=O)OC	100876148	VVJMAQPRMAEBED-IZHYLOQSSA-N	531.612	2.578	0	40	KFAB	
COc1cc2c(=O)n(Cc3ccc(C(=O)NC(C)C)cc3)c(=O)n(CC(=O)N3CCCC[C@@H]3C)c2cc1OC	101916244	IFEFPEWDNGDVQG-IBGZPJMESA-N	536.629	2.768	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1OCC	102902911	RHXDDXNCEMNMHK-UHFFFAOYSA-N	533.466	2.942	0	40	KFAB	
Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)c2)cc1S(=O)(=O)N1CCOCC1	103049642	WSTPWLIMNACBGF-UHFFFAOYSA-N	584.720	2.779	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	223713246	HAFCYMPIKUJQGA-KRWDZBQOSA-N	524.039	2.821	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O	225459641	SKATYMRLOYLEFF-ZDUSSCGKSA-N	518.380	2.657	0	40	KFAB	
COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1	225535787	BAZLCNXUNJKXAP-MRXNPFEDSA-N	513.613	2.560	0	40	KFAB	
CC(C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225546540	BUVSJYSBRBDCTL-KRWDZBQOSA-N	524.039	2.819	0	40	KFAB	
CC[C@H](C)[C@@H]1NC(=O)C[C@@H](C(=O)NCc2cccc(CN3CCOCC3)c2)NC(=O)c2ccccc2OC[C@H](CC(C)C)NC1=O	643566011	UDDWCEUJBFOZQL-GTYSWFEHSA-N	635.806	2.778	0	40	KFAB	
COc1ccccc1OCCN(C)C(=O)[C@@H]1CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)CCOc2ccccc2C(=O)N1	643580859	WWBVVUXTBLGLIM-SVBPBHIXSA-N	616.715	2.690	0	40	KFAB	
COc1cccc(CN2C[C@@H]3Oc4cc(-c5cccc(OC)c5)ccc4S(=O)(=O)NC[C@H](O)CN(C)[C@@H]3C2)c1	1534613081	PFLNFAFCPOCOOC-AQHOXQCLSA-N	553.681	2.587	0	40	KFAB	
Cc1ccc(NC(=O)Cn2nnc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)n2)cc1	1372799	QHZZUQPALUVABY-UHFFFAOYSA-N	506.544	2.859	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1	2671759	KWMZCGYMWGACSZ-PLQXQRLBSA-N	582.631	2.758	0	40	KFAB	
N[C@H](CCC(=O)N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(F)cc1)C(=O)NCC(=O)O)C(=O)O	5082432	AQDIITWOJJRZMU-RPWUZVMVSA-N	567.639	2.729	0	40	KFAB	
CCOC(=O)CN(C(=O)C[S@@](=O)CC(=O)Nc1ccc(C)cc1)[C@@H](CC(C)C)C(=O)NC1CCCCC1	20097863	JUZPRTXJCGFKLC-TVTAGSDZSA-N	535.707	2.938	0	40	KFAB	
COc1cccc(N2CCN(C(=O)Nc3snnc3C(=O)N3CCN(c4cccc(OC)c4)CC3)CC2)c1	59547263	VFULIYKFHMBVNU-UHFFFAOYSA-N	537.646	2.872	0	40	KFAB	
Cc1cccc(-n2c(SCCS(C)(=O)=O)nnc2[C@@H]2CN(CCS(C)(=O)=O)c3ccccc32)c1	65551750	YKRKPLTZLGQBFL-HXUWFJFHSA-N	520.702	2.709	0	40	KFAB	
COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@@H](CO)C(=O)O)C(=O)N32)c1	70707015	QAVZZVFVPJFAED-LLZJGCNPSA-N	554.559	2.835	0	40	KFAB	biogenic
CCC(=O)Nc1nnc(S(=O)(=O)Nc2ccccc2C(=O)NCCc2ccc(OC)c(OC)c2)s1	224529031	OGPUZUAPEPHXLQ-UHFFFAOYSA-N	519.605	2.677	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O	225487243	HLXPZQXZJBSOAG-MRXNPFEDSA-N	554.463	2.887	0	40	KFAB	
CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	225685979	KBYUFNPYCRZUCC-KRWDZBQOSA-N	507.584	2.510	0	40	KFAB	
COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)N(CCCC(=O)O)C(=O)[C@H]54)[C@H]23)cc1	248251841	PVTXWLUCAKHKQB-CHCAVSAOSA-N	500.598	2.783	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O	260915905	GCWDVXVXTAMTKT-MOPGFXCFSA-N	505.637	2.802	0	40	KFAB	
CC(C)C[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCC(C)(C)c2ccc(F)cc2)CC(=O)N[C@@H](C)C(=O)N1	643565145	CGQKXHKFKKRZTG-APTRMMRNSA-N	554.663	2.836	0	40	KFAB	
CN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2C=CCOc2ccccc2CN(Cc2ccncc2)CC3=O)CC1	958317704	GFQSZBWPVNYQBX-UIOOFZCWSA-N	517.674	2.661	0	40	KFAB	
NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc43)c2)cc1	3313713	BICVYPVQXVHQRQ-UHFFFAOYSA-N	550.014	2.534	0	40	KFAB	
CC(=O)Cc1cc(=O)n([C@@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c(=O)[nH]1	5385843	CVWRDQTZUVUBPC-NWLKPOKESA-N	612.591	2.874	0	40	KFAB	
CCOC(=O)CNC(=O)[C@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(C)ccc1C	6546980	WDEFEUIANZUZAX-NRFANRHFSA-N	527.578	2.648	0	40	KFAB	
CC(=O)O[C@H](C(=O)Nc1ccccc1C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)C(=O)Nc1ccccc1C	8430023	ODNNSSVHYRRBGB-CQJMVLFOSA-N	556.568	2.607	0	40	KFAB	
Cc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)/N=c2\sccn2Cc2ccccc2Cl)cc1	12598843	WLRSGWIFPJRNAB-LVWGJNHUSA-N	508.021	2.899	0	40	KFAB	
CC(C)CN(C(=O)CN(C)C(=O)c1cc2c(s1)CC[C@H](C)C2)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	32971969	TWZLJTWHQSLTDH-INIZCTEOSA-N	503.669	2.722	0	40	KFAB	
O=C(c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1	72142223	RVYYDXZOXYEHBO-UHFFFAOYSA-N	574.537	2.923	0	40	KFAB	
COC(=O)C1=C(N)n2c(s/c(=C/c3ccc(OC(C)C)c(OC)c3)c2=O)=C(C(=O)OC)[C@H]1c1ccc(OC(C)C)c(OC)c1	97968569	UCMAATOLOXTXNW-BZNKKWMXSA-N	624.712	2.752	0	40	KFAB	
C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](OC(=O)CCC(=O)O)CC[C@]34COC(=O)CCC(=O)O)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1	118920536	PORLQGCIBQPFNX-IINXIHOOSA-N	606.665	2.523	0	40	KFAB	biogenic
O=C(O)Cn1cc([C@@H](C(=O)O)N2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)c2ccc(Br)cc21	213098869	BNDXYQPZYYJTGI-SOHPYSCWSA-N	500.349	2.895	0	40	KFAB	biogenic
CC[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O	224393664	VMUCTUOKSRYZSZ-QHCPKHFHSA-N	541.667	2.740	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C)c1	224433557	NTODTAADRYMJNX-IBGZPJMESA-N	535.663	2.668	0	40	KFAB	
COC(=O)[C@]1(CCSC)N[C@H](c2ccccc2F)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21	245230710	XHKULFIEMQMMNF-UPUUWEMXSA-N	500.548	2.712	0	40	KFAB	
Cc1nn(CC(=O)N2CC[C@@H]3[C@H](C2)[C@@H](c2ccc(F)cc2F)CN3Cc2ccc(Cl)cc2)c(C)[n+]1N[N+](=O)[O-]	257289403	PYLXWRLFHZLVFO-VDKIKQQVSA-N	561.013	2.971	0	40	KFAB	
COc1ccc(OC)c(N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c1	260917363	GFCLOZVIPHPGJA-GOSISDBHSA-N	523.627	2.798	0	40	KFAB	
COC(=O)CN1C(=O)N/C(=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)c(Br)c2)C1=O	408549822	ZSSCNSYKOWBXFW-CXUHLZMHSA-N	506.284	2.671	0	40	KFAB	
COc1cc(/C=C2/NC(=O)NC2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1	408919380	XCMCRIPGQXZHNY-VGOFMYFVSA-N	511.247	2.637	0	40	KFAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)cc3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	409096231	JHCKRBCEIWWSOQ-MGSPXPDISA-N	507.612	2.826	0	40	KFAB	
O=C(O)COc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc1I	409378999	TZWYLFSLBQJAEM-DHDCSXOGSA-N	530.340	2.803	0	40	KFAB	
Cn1ncc(Br)c1C(=O)NC(=S)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1	2779350	PWFPQQRGXOCYPU-UHFFFAOYSA-N	501.413	2.567	0	40	KFAB	
Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(O)cc2)c1C	12473965	LGFHNBIFXFXLFJ-GCJKJVERSA-N	523.615	2.830	0	40	KFAB	
Cc1ccc(C)c(-n2nnnc2SCC(=O)OCc2cc(=O)n3cc(Br)ccc3n2)c1	12623634	LUHOYOUMRBBYRU-UHFFFAOYSA-N	501.366	2.885	0	40	KFAB	
Cc1cccc(N(C(=O)C[S@](=O)CC(=O)Nc2ccc3c(c2)OCO3)[C@H](C)C(=O)NC2CCCC2)c1	12709544	JCIFNFBIRDXASH-QCNWMPOZSA-N	513.616	2.891	0	40	KFAB	
CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1	12976410	DQASGIPDTJCZEC-NHCUHLMSSA-N	513.632	2.555	0	40	KFAB	
CCOC(=O)/C=c1\s/c(=C\c2c(OC)ccc3ccccc23)c(=O)n1CC(=O)NCc1cccs1	16044077	SHDADUOJMVTXLR-YXDRJAMLSA-N	508.621	2.622	0	40	KFAB	
O=C(Nc1ccccc1F)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	27533884	QUUYNIOUHYNIJU-JOCHJYFZSA-N	503.577	2.528	0	40	KFAB	
COc1cccc(CNC(=O)Cn2c(=O)n(CCCCC(=O)NC3CCCC3)c(=O)c3ccccc32)c1	45898950	ITDMHLOERZOIPB-UHFFFAOYSA-N	506.603	2.717	0	40	KFAB	
COc1ccc(-c2coc3cc(O[C@@H]4O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]4OC(C)=O)ccc3c2=O)cc1	59677445	FTCLAIAXKAGMBI-ATVLPVODSA-N	598.557	2.931	0	40	KFAB	biogenic,in-vitro
Cc1ccc(CN(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	59837600	GYNPBAADPGZMQE-UHFFFAOYSA-N	571.721	2.832	0	40	KFAB	
CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O	67910575	UVBUBMSSQKOIBE-XSLIMBKASA-N	721.838	2.564	0	40	KFAB	biogenic,in-vitro
CCOc1ccc(NC(=O)C[C@H]2C(=O)N(Cc3ccccc3)C(=S)N2CCCN2CCC(C(N)=O)CC2)cc1	98005910	PMQUGNVSXYSXIE-VWLOTQADSA-N	551.713	2.999	0	40	KFAB	
COc1ccc(C(=O)COC(=O)[C@H](CCCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1	100560974	LQGWKUTVXTZSLQ-YVACFCIWSA-N	586.641	2.574	0	40	KFAB	
O=S(=O)(Nc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(F)(F)F)c1ccc2c(c1)OCCO2	102243312	FFNSDBYCEDFXNI-UHFFFAOYSA-N	522.523	2.984	0	40	KFAB	
CCCCNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)NC3CCCC3)c2=O)cc1	102523983	GWHNUAAXLHOGDS-UHFFFAOYSA-N	536.629	2.817	0	40	KFAB	
CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1n1nc(COc2ccccc2)n(-c2ccccc2)c1=S	104753631	LHYHPIKIWNHFEJ-XBECTBFPSA-N	612.661	2.811	0	40	KFAB	
CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	222878435	BGJQAVRHKCGQSF-NRFANRHFSA-N	519.620	2.522	0	40	KFAB	
CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	222928644	ZACYXYIWKCBXOL-QFIPXVFZSA-N	517.648	2.598	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)c2cccc(C)c2)cc1	224205140	OPGSOFZSKQSQOF-UHFFFAOYSA-N	545.683	2.944	0	40	KFAB	
CC[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)N(c1cc(C)cc(C)c1)S(C)(=O)=O	224333719	RCWPTTCBHHZELC-DEOSSOPVSA-N	537.704	2.828	0	40	KFAB	
Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)c2)cc1	224458967	IQAOOICXZNDDSG-UHFFFAOYSA-N	559.666	2.626	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O	225485114	HLKRUTFQFBEXIU-HNNXBMFYSA-N	524.437	2.581	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	260933540	IAKCJJYZHWFBNU-MSOLQXFVSA-N	519.620	2.522	0	40	KFAB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(I)c(OCC(=O)O)c(OC)c4)c(=O)n32)cc1OCC	408940100	JDNATUHSSHXCDC-QJWUKVPRSA-N	694.500	2.892	0	40	KFAB	
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc4c(c3)OCO4)S(C)(=O)=O)cc2)c(OC)c1	409411697	KCFLOSSWEXSGHK-UHFFFAOYSA-N	563.610	2.638	0	40	KFAB	
CCN1C[C@@]2(COC)CC[C@@H](OC)[C@]34[C@H]5C[C@]6(O)[C@@H](C(=O)c7ccc(OC)cc7)[C@H]5[C@@](OC(C)=O)(C[C@H]6OC)[C@H]([C@@H](OC)[C@@H]23)[C@@H]14	2060990737	YRECILNLFWZVRM-GQTBARCZSA-N	627.775	2.989	0	40	KFAB	
CCN(CC)CCNC(=O)c1cn(CC)c2cc(N3CCN(C(=O)c4ccco4)CC3)c(F)cc2c1=O	9009022	JPTAOSKMNYERRD-UHFFFAOYSA-N	511.598	2.788	0	40	KFAB	
O=C(CNS(=O)(=O)c1ccccc1)NCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1	10041530	SYBDQSYXDTVEPS-XMMPIXPASA-N	500.960	2.902	0	40	KFAB	
Cc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(c3ccc(Cl)cc3)CC2)cc1Cl	19820864	RSFZYZFRSGBTKN-JOCHJYFZSA-N	518.445	2.780	0	40	KFAB	
O=C1N[C@]2(CCS(=O)(=O)c3ccc(F)cc32)C(=O)N1CC(=O)N1N=C(/C=C/c2ccco2)C[C@H]1c1ccco1	97981153	LCLFAAANLAQTQA-YYQMGCPUSA-N	552.540	2.979	0	40	KFAB	
COC(=O)c1cc(NC(=O)CCc2cc(S(=O)(=O)N3CCCC3)ccc2OC)cc(C(=O)OC)c1	222945129	VRYGTRKHZIEYLR-UHFFFAOYSA-N	504.561	2.624	0	40	KFAB	
COC(=O)CSc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)s1	224025295	VCYVPFGFJXKULG-UHFFFAOYSA-N	500.624	2.629	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1	224212665	RFSDKNQXCAWLDC-UHFFFAOYSA-N	531.656	2.712	0	40	KFAB	
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)NCCN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)[C@H]21	524729606	AGHSCBVHLMCXMS-ICYRDHFCSA-N	597.672	2.606	0	40	KFAB	biogenic
COCC(=O)N1CCN(Cc2ccc(OCCn3cc(C)cn3)c(OC)c2)C[C@@](O)(COc2ccc(F)c(F)c2)C1	585274819	OOQMXSKDEMWGCY-LJAQVGFWSA-N	574.625	2.658	0	40	KFAB	
COc1ccc(OCCNC(=O)[C@@H]2CCC(=O)N(C)CC(=O)N(C)[C@H](Cc3ccccc3)COc3ccccc3C(=O)N2)cc1	643569643	NOXSWSDKAOGECY-IRPSRAIASA-N	616.715	2.690	0	40	KFAB	
Cc1cc(Br)c(NC(=O)COn2nnc3ccc(S(C)(=O)=O)cc32)c(Br)c1	3396139	IHOBUCQMPVZEDJ-UHFFFAOYSA-N	518.187	2.736	0	40	KFAB	
COc1ccc(CNC(=O)[C@H](C)NC(=O)C2CCN(C(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)CC2)cc1	12662408	AGKGRVIXYKDUJW-CVDCTZTESA-N	532.682	2.994	0	40	KFAB	biogenic
CCOC(=O)[C@H]1C(c2ccccc2Cl)[C@@H](C(=O)OCC)[C@](O)(C(F)(F)F)N[C@]1(O)C(F)(F)F	16682663	YZHONTVWWQWASA-FPISHFTHSA-N	507.811	2.887	0	40	KFAB	
Cc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(c3ccc(Cl)cc3)CC2)cc1Cl	19820861	RSFZYZFRSGBTKN-QFIPXVFZSA-N	518.445	2.780	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)Cc2ccccc2)cc1C	59837926	GSLKCQBAIXDTRP-UHFFFAOYSA-N	587.720	2.532	0	40	KFAB	
CC(=O)OC[C@H]1O[C@@H](Oc2cc3oc(=O)c4c(c3cc2Cl)CCCC4)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	103643368	MSFMMJSYVUWAEJ-ZANOAUCBSA-N	580.970	2.787	0	40	KFAB	
C[C@H](OC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1)C(=O)N[C@H]1CCCC[C@@H]1C	108318660	VWTOETCPMQEPDG-MPGHIAIKSA-N	517.442	2.710	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1	216400292	DYUKXPVCJLKNOO-UHFFFAOYSA-N	516.601	2.928	0	40	KFAB	
CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	223477598	DUGARWCSTQKICK-QHCPKHFHSA-N	523.586	2.746	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCC2)cc1	224056652	QIVSOFUYCWYKFG-IBGZPJMESA-N	517.648	2.946	0	40	KFAB	
COc1ccc(OC)c(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(=O)(=O)c2ccccc2)c1	224282790	RQMKBLPXQCRWBJ-UHFFFAOYSA-N	603.719	2.879	0	40	KFAB	
CS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc(Br)c1	224366245	MGUKPNBBEIORFL-UHFFFAOYSA-N	574.519	2.585	0	40	KFAB	
CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	224368024	MGXWJRQKRYRMFZ-FQEVSTJZSA-N	509.600	2.552	0	40	KFAB	
CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O	224618952	UQBDMYGZURPAGV-QFIPXVFZSA-N	517.648	2.948	0	40	KFAB	
CN1CCN(C(=O)CC2(COc3ccc(F)cc3)CCN(S(=O)(=O)c3ccccc3F)CC2)CC1	257283733	OZRCWCLJWGIYLV-UHFFFAOYSA-N	507.603	2.979	0	40	KFAB	
CCOc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1	408548310	GBTHRNNTYPBFHL-LICLKQGHSA-N	532.347	2.931	0	40	KFAB	
CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)cc1	409389912	QTZRJBSDUOTNMV-UHFFFAOYSA-N	505.574	2.551	0	40	KFAB	
Cc1cc(OC[C@]2(CC(=O)N3CCOCC3)CN(C(=O)CCc3cn(C)nc3C)CCO2)ccc1Cl	585287502	YGWSGVLHPIDACZ-SANMLTNESA-N	519.042	2.548	0	40	KFAB	
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](CCSC)C(=O)NC[C@H]3CCS(=O)(=O)C3)c(=O)cc1[C@H](NC(C)=O)CC2	1565538604	YMMYBIRAEFLUQG-RZPHLTDDSA-N	647.816	2.948	0	40	KFAB	biogenic
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)CCn4nc(C(F)(F)F)c(Cl)c4C)[C@H]3SC2)s1	2786712	BJZGECNHMSXRLY-BLLLJJGKSA-N	583.039	2.945	0	40	KFAB	
O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	6250866	FJNUNHLIQABSCR-IBGZPJMESA-N	522.008	2.723	0	40	KFAB	
CCOC(=O)C1=c2s/c(=C/c3ccc(Cl)cc3)c(=O)n2C(N)=C(C(=O)OC)[C@H]1c1ccc(Cl)cc1	8448686	JNGWZWAKNOEMAD-XCMFGDQWSA-N	531.417	2.857	0	40	KFAB	
Cc1ccnc(SCCn2c(N3CCC(Cc4ccccc4)CC3)nc3c2c(=O)n(C)c(=O)n3C)n1	8794681	HTDSXWGUKHSYTM-UHFFFAOYSA-N	505.648	2.784	0	40	KFAB	
COc1ccc(CCNC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC	20005204	ZNAIYKCKISCMCH-QFIPXVFZSA-N	528.627	2.970	0	40	KFAB	
CCOC(=O)N1CCN(C(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)CC1	20239442	JVNFFPSDBSBKKT-UHFFFAOYSA-N	519.620	2.817	0	40	KFAB	
Cc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc3c(c2)OCCO3)cc1	38145864	LEEGEPYAIONGQW-JPYJTQIMSA-N	551.625	2.587	0	40	KFAB	
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN3C(=O)S/C(=C\c4ccccc4)C3=O)cc2)nn1	101001361	CAFCGZJKYNEVDL-AQTBWJFISA-N	525.568	2.961	0	40	KFAB	
C[C@@H]([C@@H]1C[C@@H]2CC[C@@H]1C2)n1c(COc2ccccc2F)nnc1SCC(=O)c1c(N)n(C)c(=O)n(C)c1=O	103141819	DDXGBFDTSWBNOB-HZMVEIRTSA-N	542.637	2.948	0	40	KFAB	
COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)ccc1OCC(=O)N1CCOCC1	106711419	DGQPFOJYLLGTCN-STZFKDTASA-N	511.556	2.608	0	40	KFAB	
C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	222655506	FYVSVPLYYOSDER-GOSISDBHSA-N	503.621	2.556	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1	224320662	MALITKUTNBABSH-DEOSSOPVSA-N	563.742	2.641	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	225180089	ODYYTLFFNUGDFY-GOSISDBHSA-N	523.627	2.943	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	225400046	IAKCJJYZHWFBNU-ZWKOTPCHSA-N	519.620	2.522	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](NC(=O)c2cc(-c3ccccc3)nc3ccccc23)[C@H](OC(C)=O)[C@H]1OC(C)=O	245285109	VVMNWCWAUDNQKP-WHIZXEAUSA-N	578.574	2.715	0	40	KFAB	
O=C(N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(CC4CCCCC4)C[C@H]3C(=O)NC[C@H]1O2)C1CCOCC1	253403849	QNSCSBFQNZNIIL-RKDXIHMYSA-N	596.769	2.751	0	40	KFAB	
C[C@@]12CC[C@@]3(C(=O)O)CC[C@@](C)(C(=O)O)C[C@@H]3C1=CC[C@@H]1[C@@]3(C)C[C@H](O)[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@](C)(CO)[C@@H]3CC[C@]12C	256003942	UERRXLUEVHKNBY-HPPIBUQZSA-N	650.806	2.705	0	40	KFAB	
COc1cccc(CN(C(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)[C@H](C)C(=O)NC(C)C)c1	260754940	RKYNWDDFUSNXLX-LJQANCHMSA-N	533.647	2.912	0	40	KFAB	
Cc1ccc(N([C@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)cc1C	260886101	DVEDFAGZABSCAL-OAQYLSRUSA-N	537.704	2.828	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)[C@H](C)C(=O)NCC(C)C)cc1	260931988	XCDIOZMHQBBZGB-LJQANCHMSA-N	522.643	2.637	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)O)cc3)c(=O)n2[C@@H]1c1ccccc1OCC	408738988	QWQBPIRJWMROSK-OBVMJLIASA-N	522.579	2.660	0	40	KFAB	
CC(=O)N1CCCN(C)CCN(C(=O)CCc2cc([C@H]3CCCN(S(C)(=O)=O)C3)nc(C)n2)Cc2ccccc21	643553750	DXNVTVGIRZOWNX-DEOSSOPVSA-N	570.760	2.574	0	40	KFAB	
COc1ccc(CNS(=O)(=O)c2cc(S(=O)(=O)NCc3ccc(OC)cc3)c(OC)cc2OC)cc1	1565523258	KJOCKSRCQCKDOY-UHFFFAOYSA-N	536.628	2.678	0	40	KFAB	
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CSc3nnc(-c4ccc(F)cc4)n3N)cc2)nc(C)n1	2335094	LMMNLZXQULVZKC-UHFFFAOYSA-N	528.595	2.736	0	40	KFAB	
COC(=O)C1=C(C(=O)c2ccc(Br)cc2)[C@H](c2ccc(OC)c(OC)c2)n2nnnc2N1	10232010	DLNMCVQSEJTKCN-SFHVURJKSA-N	500.309	2.778	0	40	KFAB	
COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1	16187650	XWDZKQRTXXCOIK-UHFFFAOYSA-N	501.527	2.692	0	40	KFAB	
CS(=O)(=O)N(CC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Cc1ccc(Cl)cc1	20031058	XFCCSMYTTYPFQW-UHFFFAOYSA-N	514.069	2.593	0	40	KFAB	
Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1	20458615	SYLYUWSTEBHBIG-QFIPXVFZSA-N	501.586	2.962	0	40	KFAB	
Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)S(C)(=O)=O)cc1	20489066	MBZOWLYEAVPPAW-UHFFFAOYSA-N	503.606	2.607	0	40	KFAB	
O=c1cc(CN2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)nc2sc(-c3ccccc3)nn12	41077601	ZTCCJEISZVHGNX-UHFFFAOYSA-N	503.556	2.603	0	40	KFAB	
C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2nc3cc(Cl)ccc3c(=O)n2C[C@@H]2CCCO2)C1=O	103122840	MGWIOWWBLBJHRI-GKVSMKOHSA-N	542.017	2.819	0	40	KFAB	
C[C@H]1COC[C@H](C)N1CC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)CN3[C@@H](C)COC[C@H]3C)cc2)cc1	104082391	QVGHCTDLXSPMIS-MYGLTJDJSA-N	558.701	2.615	0	40	KFAB	
CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O	222898663	LOCGHQUCBKJRBT-KRWDZBQOSA-N	510.454	2.729	0	40	KFAB	
Cc1ccc(C)c(OCCNC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)c1	223995552	UECZKEUFIURUOL-UHFFFAOYSA-N	502.374	2.869	0	40	KFAB	
CCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O	225384051	CTESGPQWSQUOQM-JOCHJYFZSA-N	515.632	2.954	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1cccc(OC)c1)[C@@H](C)C(=O)NC(C)C)c1ccc2c(c1)OCCO2	225660574	VUZYJVIJMDARGL-IBGZPJMESA-N	533.647	2.564	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN(C)S(=O)(=O)c1ccc(SC)cc1	225786740	POPOSKVTHNAFKF-UHFFFAOYSA-N	527.690	2.851	0	40	KFAB	
COc1ccc(S(=O)(=O)N2C[C@H](C(=O)N[C@H](C)c3ccc(S(C)(=O)=O)cc3)Oc3ccccc32)cc1	260917290	CXIZOLZQMBPUOQ-MZNJEOGPSA-N	530.624	2.932	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCC(=O)O)c3)c(=O)n2[C@@H]1c1cccc(OC)c1OCC	408908377	RRGHMRSHCDFUFS-JRXNCPAPSA-N	552.605	2.669	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409036541	LMZMNIFHKRETAT-ARLGEPFESA-N	566.632	2.757	0	40	KFAB	
COc1cccc(-c2ccc3c(c2)OCCC2(CCN(CC(C)C)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2S3(=O)=O)c1	1548888783	AOIBEWWZDWNNLJ-NOZRDPDXSA-N	557.713	2.875	0	40	KFAB	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCO4)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1	660644	SKWGHHGQASSRGT-QJWUKVPRSA-N	522.579	2.933	0	40	KFAB	
CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)C(=O)N[C@H](CCC(=O)Oc1ccccc1)C(N)=O	4016608	QYVVHYYWZLGGLY-FGZHOGPDSA-N	541.601	2.759	0	40	KFAB	
COc1ccc(CN(CC(=O)Nc2ccc(N3CCOCC3)cc2)C(=O)Cn2nnc3ccccc32)cc1	8694414	KPHAPYDIBSWWDL-UHFFFAOYSA-N	514.586	2.944	0	40	KFAB	
NC(=O)c1nsc(C(=O)N(c2ccccc2)[C@H](C(=O)NC[C@H]2CCCO2)c2c[nH]c3ccccc23)c1N	12467766	NZTUEHLMGIVIKN-ZHRRBRCNSA-N	518.599	2.989	0	40	KFAB	
COCCOc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCO3)C1=O	12589983	RPNXBPDTYSBOEQ-JOCHJYFZSA-N	509.437	2.865	0	40	KFAB	
CC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)NC1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1	13565705	LZEBITBPHWWJRZ-NRFANRHFSA-N	515.529	2.861	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1	20111499	LKMNBZLJWJZCPL-KRWDZBQOSA-N	527.690	2.971	0	40	KFAB	
COc1cc(C(=O)NCC(=O)NCCN2C(=O)S/C(=C\c3ccccc3Cl)C2=O)cc(OC)c1OC	38152220	YJFKHPSZHIYUGC-UNOMPAQXSA-N	533.990	2.948	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	222721248	IQHJYWVWNPEDCG-AWEZNQCLSA-N	519.426	2.909	0	40	KFAB	
CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H](C(=O)NCc3ccccc3)Oc3ccccc32)ccc1OC	222913586	UYEZKENJHKVXCN-QHCPKHFHSA-N	509.584	2.718	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	223270017	JKTGZAIQWBEMSK-SFHVURJKSA-N	510.607	2.911	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O	225517779	XZOAXMRXMHSMFJ-XMMPIXPASA-N	519.623	2.997	0	40	KFAB	
CN1CCN(C(=O)C[C@@]2(COc3cccc(Cl)c3)CCCN(C(=O)CCCn3cncn3)C2)CC1	257213187	CGMOCVWEXSZPTP-VWLOTQADSA-N	503.047	2.564	0	40	KFAB	
CN1CCN(C(=O)C[C@H]2CN(C(=O)CCc3ccnn3C)CC[C@@H]2Oc2cccc(Br)c2)CC1	257311415	UJIFBUNDVSAKNO-CVDCTZTESA-N	532.483	2.575	0	40	KFAB	
CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2OC)C(C(=O)OCC)=C(C)N=3)cc1	408920351	IRXBEHZKOZFILA-BQKWAYIGSA-N	536.606	2.749	0	40	KFAB	
O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1ccc(C2CCCCC2)cc1)C(Cl)(Cl)Cl	575423701	QALWPOSDAWLXDF-CVEARBPZSA-N	517.884	2.665	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(c3ccc4c(c3)OCCO4)[C@@H](C)C(=O)NC3CCCCC3)n2)cc1	886355	XPXHEQTVHHXPJJ-SFHVURJKSA-N	520.590	2.991	0	40	KFAB	
COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2cccs2)cc1	6973698	VEJKUUHVPVOQIM-BEFAXECRSA-N	515.617	2.578	0	40	KFAB	
CC[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O	13712318	NXCCNWHJNFSNGD-HXUWFJFHSA-N	516.041	2.544	0	40	KFAB	
CCCCn1c(N)c(N(CC(C)C)C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)c(=O)[nH]c1=O	15323909	GSAYJZGCUFWKKX-UHFFFAOYSA-N	519.668	2.705	0	40	KFAB	
Cc1ccc2c(c1)[C@]1(N[C@@H](Cc3ccc(O)cc3)[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2	15968795	LIAUUERUCMHZKT-CVRJGYJLSA-N	511.534	2.593	0	40	KFAB	biogenic
CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(OC)cc(OC)cc3OC)c(=O)n2[C@@H]1c1ccccc1OC	16682384	MUMDKJODXSFJSQ-MGSPXPDISA-N	524.595	2.833	0	40	KFAB	
COCCn1nnnc1[C@@H](c1cc2c(C)ccc(C)c2[nH]c1=O)N1CCN(c2cccc(OC)c2)CC1	20083286	UFNCQUHSROWMSN-RUZDIDTESA-N	503.607	2.698	0	40	KFAB	
COCCn1nnnc1[C@@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)N1CCN(c2cc(C)ccc2C)CC1	20084123	GZSKRRLEOQXCSY-AREMUKBSSA-N	533.633	2.707	0	40	KFAB	
Cc1ccc(-c2nn3c(=O)cc(CN4CCN(S(=O)(=O)c5ccc(F)c(F)c5)CC4)nc3s2)cc1	41077515	BPYWNCPHMOXAQQ-UHFFFAOYSA-N	517.583	2.911	0	40	KFAB	
O=C(O)/C=C/c1ccc(O)c2c1[C@H](C(=O)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O)[C@@H](c1ccc(O)c(O)c1)O2	67913696	HHKGQYGYEDKXNE-RGKBJLTCSA-N	538.461	2.769	0	40	KFAB	biogenic,in-vitro
CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3C[C@@H](C(=O)OC)Oc4ccccc43)CC2)cc1C	222579439	AWPBMFGTGQYAKD-QHCPKHFHSA-N	502.589	2.762	0	40	KFAB	
C[C@H](NC(=O)CN(c1ccc(I)cc1)S(C)(=O)=O)c1ccc2c(c1)OCCO2	222674387	IHRLALYGPGRSJB-ZDUSSCGKSA-N	516.357	2.706	0	40	KFAB	
CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	223123035	UEMRKIYMEJSHGZ-LJQANCHMSA-N	512.028	2.677	0	40	KFAB	
CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O	223474628	KGNYAEZLRCGZGO-HXUWFJFHSA-N	510.454	2.811	0	40	KFAB	
CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223590719	RTXMLBHFWHYRHW-QFIPXVFZSA-N	517.648	2.948	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)c2ccccc2F)cc1	224206882	WECLDYODTPWWHF-UHFFFAOYSA-N	549.646	2.775	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCCOc3ccc(S(=O)(=O)N(C)C)cc3)Oc3cc(C)ccc32)cc1	224246430	GAHVXCURIOVCGP-SANMLTNESA-N	573.693	2.705	0	40	KFAB	
CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O	225020634	NOKPQHHZYAFSKH-IBGZPJMESA-N	505.637	2.722	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	225412429	MGTDZJUGDHJJPK-QZTJIDSGSA-N	501.605	2.562	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	225568712	YCPBFEULUDQNSE-XMMPIXPASA-N	519.623	2.916	0	40	KFAB	
CN1CCN(C(=O)CC2(COc3ccccc3)CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)CC1	257210119	BTFZPQKIQANRNV-UHFFFAOYSA-N	507.603	2.979	0	40	KFAB	
C[C@H](Oc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1)C(=O)N1CCOCC1	408593220	LWYCLICJTSTANX-AWEZNQCLSA-N	516.357	2.718	0	40	KFAB	
O=C1N[C@@H]2CCN(C(=O)CCN3CCCC3)C[C@@H]2CC=CCC2(CCOCC2)C(=O)N[C@H]1Cc1ccccc1	1615124298	SHODDWDXHLVCRL-VJGNERBWSA-N	536.717	2.680	0	40	KFAB	
CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC[C@@H]2NC(=O)[C@@H](Cc3ccccc3)NC(=O)C3(CC=CC[C@H]2C1)CCOCC3	2037829043	CZFBEHDBYDBIEQ-LYBRAKKWSA-N	616.759	2.647	0	40	KFAB	
CCOCCCN(C(=O)Cn1nnc(-c2ccc(C)o2)n1)[C@H](C(=O)NC[C@H]1CCCO1)c1ccc(F)cc1	6600062	SENVQAZNIJMONJ-QPPBQGQZSA-N	528.585	2.672	0	40	KFAB	
COc1ccc(-c2ccnc(N[C@H]3CO[C@@H]4[C@@H](NC(=O)Nc5cc(OC)cc(OC)c5)CO[C@H]34)n2)cc1	8297331	PMSZIRCGJPGHCT-CJRSTVEYSA-N	507.547	2.938	0	40	KFAB	biogenic,in-vitro
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O	12625704	SUBKATKKUAMZHH-SANMLTNESA-N	526.615	2.592	0	40	KFAB	
COCCn1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CC=C(c2ccc(F)cc2)CC1	57608909	HNIYWDRQQLDUGX-XMMPIXPASA-N	504.522	2.908	0	40	KFAB	
COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O	60028352	FBOZGJORKNELCO-UHFFFAOYSA-N	534.454	2.549	0	40	KFAB	
CCn1cc(C(=O)NCc2ccc3c(c2)OCO3)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1	67338527	DRMZEMZORFSKHA-UHFFFAOYSA-N	525.631	2.689	0	40	KFAB	
Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@]1(CC(O)=N2)C(=O)N(CC(=O)NCc2cccs2)c2ccccc21	101408054	XAPJLQCYJVXXMP-AREMUKBSSA-N	539.581	2.849	0	40	KFAB	
COc1cc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCCN4CCOCC4)CC(=O)N32)cc(OC)c1OC	104313816	HUIUCGDPSHQXLF-NEKDWFFYSA-N	548.640	2.601	0	40	KFAB	
CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	224240937	JPCGDLXUIGEDEL-OAQYLSRUSA-N	505.637	2.722	0	40	KFAB	
O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1	226051226	NDXYKAONGQNCNV-UHFFFAOYSA-N	533.716	2.937	0	40	KFAB	
O=C1NC[C@H]2O[C@H](CCOc3ccccc3C(=O)N3CCN(Cc4ccc(C(F)(F)F)cc4)C[C@@H]13)CC[C@@H]2O	253408932	ZACZOYYOLSANDV-ALJFMCDRSA-N	547.574	2.839	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)Cc3cc(OC)c(OC)c(OC)c3)C2)cc1OC	260740173	LRPBFKPWVKOFJH-SFHVURJKSA-N	522.620	2.789	0	40	KFAB	
NS(=O)(=O)c1ccc(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1	409005245	SXXJWPMTPPDDGS-UHFFFAOYSA-N	552.472	2.969	0	40	KFAB	
Cc1cc(OC[C@@]2(CC(=O)N3CCN(C)CC3)CN(C(=O)C[C@H]3CCCCO3)CCO2)ccc1Cl	585286886	RZOKXLUPRLUORY-QFQXNSOFSA-N	508.059	2.748	0	40	KFAB	
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	2060999638	VNVVACHTDGQAHA-AFDYZZJYSA-N	767.010	2.810	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC(C)=O)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1	625797	SNXDCLCESYASEZ-IGSWSUAKSA-N	520.563	2.649	0	40	KFAB	
Cc1nnc(SCCn2c(N3CCC(Cc4ccccc4)CC3)nc3c2c(=O)n(C)c(=O)n3C)s1	9392053	JTKXBLKWQZTAEN-UHFFFAOYSA-N	511.677	2.845	0	40	KFAB	
CON(C)S(=O)(=O)c1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)ccc1Cl	13062632	CHEYLCIDERJSCV-HNNXBMFYSA-N	511.984	2.543	0	40	KFAB	
COc1ccc(Cl)cc1C(=O)OCC(=O)N(CC(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	24772199	JMJWFWNTARHINM-UHFFFAOYSA-N	514.966	2.675	0	40	KFAB	
CC[C@H](C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OC)N(c1ccc(F)cc1)S(C)(=O)=O	30859360	QPFXZUSKBDBVLR-HXUWFJFHSA-N	513.613	2.802	0	40	KFAB	
COc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCC(=O)Nc4ccc(C(C)=O)cc4)nn23)cc1	100928622	TZQSAWVPZDYTBW-UHFFFAOYSA-N	540.627	2.587	0	40	KFAB	
CC(C)(c1ccc(OC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1)c1ccc(OC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1	102557676	QICXMZFJKBFXOW-WOJBJXKFSA-N	550.655	2.564	0	40	KFAB	
CC[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)N(c1cc(C)cc(C)c1)S(C)(=O)=O	224333769	RCWPTTCBHHZELC-XMMPIXPASA-N	537.704	2.828	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O	225452486	PISADXOTIGYEQI-CQSZACIVSA-N	500.390	2.518	0	40	KFAB	
C[C@H]1CC[C@]2(C(=O)O)CC[C@]3(C(=O)O)C(=CC[C@H]4[C@@]5(C)CC[C@@H](O[C@H]6O[C@H](C)[C@H](O)[C@@H](O[C@H]7O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]7O)[C@@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1C	253500600	BZXXSUZFEIFGEX-OAVNOWKKSA-N	794.976	2.830	0	40	KFAB	biogenic,in-vitro
CC(C)(O)[C@@H](O)CC[C@@H](CO)[C@H]1CC[C@@]2(C)C3=C(C[C@@H](O)[C@]12C)[C@@]1(C)C[C@@H](O)[C@@H](OC(=O)C[C@@](C)(O)CC(=O)NCC(=O)O)C(C)(C)[C@H]1CC3	253529965	IOMBMOCSWVAYQU-OCIOLGCVSA-N	709.918	2.842	0	40	KFAB	endogenous,in-man
COc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1C(=O)N1CCC(C)CC1	408705876	PGTOUSNOCNEGBQ-UHFFFAOYSA-N	515.632	2.803	0	40	KFAB	
C/C=C/C=C/C=C/C(=O)O[C@H]1[C@H]2C(C)(C)CCC[C@@]2(C)C2=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)C2=O)[C@H]1O	1772591755	NXFORTNJXMYGOQ-OGOISUPUSA-N	529.586	2.777	0	40	KFAB	
CCOC(=O)CNC(=O)[C@@H](c1c[nH]c2ccccc12)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(C)c1	6546593	XRHOJXOETZKTDM-JOCHJYFZSA-N	534.598	2.681	0	40	KFAB	
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)cc2)C1	13138201	MOTHWNJSGXNTPC-OALUTQOASA-N	521.661	2.626	0	40	KFAB	
COc1ccccc1OCCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2	223858826	CZLGMGLVEAGXSE-UHFFFAOYSA-N	516.547	2.996	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225187872	ADIOGEVOAAZLOQ-SFHVURJKSA-N	521.611	2.697	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)Nc1ccccc1C(=O)NCc1ccco1	225886655	DZIARLLXTAURGK-UHFFFAOYSA-N	527.599	2.810	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(C/C=C/c4ccccc4)CC3)C2)cc1OC	408586904	AADHFSHUCBRVQK-LNLBBOMNSA-N	513.660	2.962	0	40	KFAB	
COc1ccc(N(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)S(=O)(=O)c2ccccc2)c(OC)c1	409025864	YYYWNRGRYCTCDH-UHFFFAOYSA-N	553.637	2.972	0	40	KFAB	
C[C@@H]1O[C@H](O[C@@H]2CCCC3=CC[C@@H]4[C@@H](CC[C@@]5(C)[C@H]6[C@@H](C[C@H]45)O[C@@]4(CC[C@@H](C)CO4)[C@@H]6C)[C@@]32C)[C@@H](O)[C@@](O)(O[C@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O	2060997164	YSAIEUUBBXPLJH-DSRXLYGSSA-N	722.913	2.738	0	40	KFAB	
COc1cc([C@H]2c3cc4c(cc3[C@@H](O[C@H]3O[C@H]5CO[C@H](c6cccs6)O[C@@H]5[C@@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O	3831509	NRUKOCRGYNPUPR-BLAFDNCNSA-N	656.662	2.753	0	40	KFAB	
COc1ccc(CCN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccncc2)cc1OC	17376537	ZCFPVQZTCBOCCJ-IADCTJSHSA-N	558.639	2.951	0	40	KFAB	
COC(=O)c1cc(NC(=O)C[C@@H]2C(=O)N[C@H]3CCCC[C@@H]3N2C(=O)Nc2ccccc2)cc(C(=O)OC)c1	22846921	RQPJYDGWYLOZKI-FDFHNCONSA-N	522.558	2.932	0	40	KFAB	
O=S(=O)(c1ccc(S(=O)(=O)N2CCC(c3nc(O)c4nnn(Cc5ccccc5Cl)c4n3)CC2)cc1)N1CCCC1	100446260	ZODYBAIXJHMCKG-UHFFFAOYSA-N	618.141	2.981	0	40	KFAB	
O=C(COC(=O)C12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	104533162	XSZXRAZHMXIUBW-PQJGELLGSA-N	541.464	2.923	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)[C@@H](C)C(=O)NC(C)(C)C)c1	223047329	FERKNOFUOTYAMY-SFHVURJKSA-N	522.643	2.779	0	40	KFAB	
CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223612407	DBRGXIVAYRXEDD-QFIPXVFZSA-N	547.674	2.955	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O	224035282	LRETWFJLMKSSHI-GOSISDBHSA-N	519.620	2.524	0	40	KFAB	
COc1ccc(N(CC(=O)NCCSc2nc(C)n[nH]2)S(=O)(=O)c2cc(C)ccc2OC)cc1	226056807	CSVILLLNQAJQOZ-UHFFFAOYSA-N	505.622	2.543	0	40	KFAB	
CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(I)c(OCC(=O)O)c(OC)c2)C1=O	409019907	KULUUYZVXSMVAP-PBJWJZLWSA-N	535.312	2.751	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(CC(=O)N4CCOCC4)c4ccccc34)c(=O)n2[C@@H]1c1ccccc1	409151440	BJRUNXJSWMEOAF-GKKFRVOYSA-N	570.671	2.612	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCCC4)c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	409156307	NLEXAJANPPVNIZ-YIECNSLDSA-N	621.712	2.825	0	40	KFAB	
CCCCCn1c(S[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2NC(C)=O)nnc1-c1ccccc1	504796630	JESOEUQUEIIHTN-VEGWMBEDSA-N	576.672	2.884	0	40	KFAB	biogenic
O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4ccccc41)CC[C@@H]3O)N(Cc1ccc(Cl)c(F)c1)C2	514287584	OAJZAEAODRYFDU-IOIRJSPFSA-N	532.012	2.659	0	40	KFAB	
COc1cccc([C@@H]2[C@@H](C(C)C)CN(C(C)=O)C[C@H](OC)[C@@H](O)[C@@H](O)COCCCCN2C(=O)CN(C)Cc2ccncc2)c1	643550811	YRGUTATZYQHOTN-FWLJPKAVSA-N	628.811	2.760	0	40	KFAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCOc2cccc(C)c2C)CC(=O)N[C@@H](Cc2ccccc2)C1=O	643579261	VMIWIFQUGQADFX-NSOVKSMOSA-N	600.716	2.956	0	40	KFAB	
CC(C)CCNC(=O)c1cnc(Nc2cccc([C@H]3CN(S(=O)(=O)c4cn(C)cn4)CCO3)n2)s1	2037836260	WRCCRTUNJKUINW-QGZVFWFLSA-N	519.653	2.553	0	40	KFAB	
Cc1cc(NC(=O)CSC2=Nc3ccccc3C3=N[C@H](CC(=O)NCc4cccs4)C(=O)N23)n[nH]1	2967733	IDXHCOBVSJTKTQ-QGZVFWFLSA-N	507.601	2.817	0	40	KFAB	
Cc1ccc(C)c(-n2c(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)nc3sc4c(c3c2=O)CCCC4)c1	3378403	YKVSYLPRTNLCBA-UHFFFAOYSA-N	537.667	2.897	0	40	KFAB	
CCOC(=O)CNC(=O)[C@@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C(C)C)cc1	6546749	XTSNCDLRUYMPCC-JOCHJYFZSA-N	539.614	2.721	0	40	KFAB	
CCOC(=O)CNC(=O)[C@@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(C)cc(C)c1	6546780	MCPJFSSDVGWHMY-JOCHJYFZSA-N	539.614	2.517	0	40	KFAB	
COC(=O)c1cc(NC(=O)C[C@@H]2C(=O)N[C@H]3CCCC[C@@H]3N2C(=O)NC2CCCCC2)cc(C(=O)OC)c1	9926942	NYAALBCKLNZTFN-FDFHNCONSA-N	528.606	2.742	0	40	KFAB	
COc1cc(C(=O)OCC(=O)c2cc(C)n(C[C@@H]3CCCO3)c2C)ccc1OCC(=O)N1CCOCC1	12533305	IAUYJOXOOCICAX-NRFANRHFSA-N	514.575	2.570	0	40	KFAB	
COCCn1c(N)c(N(Cc2ccccc2)C(=O)[C@@H](C)Oc2ccc(Br)cc2)c(=O)[nH]c1=O	12922861	DBRFWMJLJHFGMI-OAHLLOKOSA-N	517.380	2.528	0	40	KFAB	
CC(C)(C)NC(=O)[C@H](c1cccs1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCO2	13023393	GITCHLMHNCFKIP-KRWDZBQOSA-N	501.590	2.917	0	40	KFAB	
COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2OC)cc1OC	100309789	FMLXQDGYFQAMPN-QMHKHESXSA-N	569.640	2.533	0	40	KFAB	
CCOc1ccc2c(c1)s/c(=N\C(=O)c1ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc1)n2CC(=O)OC	100877137	DYSGUCQDFUQVNN-PZLTZHMVSA-N	547.655	2.814	0	40	KFAB	
CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1	102777741	LCKKSIKTNHBWRM-SANMLTNESA-N	555.628	2.810	0	40	KFAB	
CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](CC(N)=O)N[C@]4(C(=O)N(Cc5ccccc5Cl)c5ccccc54)[C@H]3C2=O)cc1	103006233	ZALQIYJYTUALPI-GYMZGOSFSA-N	572.021	2.694	0	40	KFAB	
CN(CC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccc2c(c1)OCO2)S(C)(=O)=O	223043678	PRZXOWOOMKRCPK-DEOSSOPVSA-N	537.638	2.563	0	40	KFAB	
CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	223167373	NJNNJWYXFYJLTG-LJQANCHMSA-N	512.028	2.677	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NS(=O)(=O)c1nnc(NC(=O)c2ccccc2C)s1	224384140	AUNMHHFPZGOKHW-UHFFFAOYSA-N	537.645	2.693	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	260968282	LZNDHIMYKHJQDR-MSOLQXFVSA-N	523.627	2.941	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccc(Br)cc43)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	409115903	JQCWDJAGOLIAAI-SADKCHQCSA-N	584.448	2.900	0	40	KFAB	
CC(=O)N[C@@H]1[C@H](Sc2nc3ccccc3n2CCOc2ccccc2)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	504693289	JTNYANXZRVQOMD-ABTFIVDISA-N	599.662	2.864	0	40	KFAB	biogenic
CCn1c(CCC(=O)N2CCC3(CCCCn4cc(nn4)COCCNC3=O)CC2)nc2ccccc21	643564051	ZVHLTNFYIIWCIH-UHFFFAOYSA-N	507.639	2.706	0	40	KFAB	
CCc1ccc(OCc2nnc(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)n2[C@@H](C)c2ccccc2)cc1	3360915	FVVQRFCTKKYIDU-KRWDZBQOSA-N	534.642	2.983	0	40	KFAB	
Cn1c(N)c(C(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccco2)CCC3)c(=O)n(C)c1=O	12541435	CUUZRUJRGKUEMU-FYWRMAATSA-N	500.511	2.724	0	40	KFAB	
COc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CCN(C(=O)c4ccco4)CC3)cc2c1	19940652	JFQHXUREGWOMAW-RUZDIDTESA-N	525.569	2.712	0	40	KFAB	
CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H](Cc4ccc(O)cc4)N[C@@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)cc1	20533442	HBPDCJCYTCWGJM-QUIZSENMSA-N	515.497	2.624	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)Cc2c(F)cccc2Cl)cc1	59837723	HSAFPDOCSHSMMV-UHFFFAOYSA-N	540.038	2.942	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O	222567510	XHDGPIVGBSWTRZ-INIZCTEOSA-N	510.012	2.778	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1	224307560	MBAGVDZOJYIGOS-UHFFFAOYSA-N	565.714	2.709	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	225404257	GDCKBAIAJAGXJN-VQTJNVASSA-N	547.674	2.955	0	40	KFAB	
COC(=O)[C@@H]1CN(C(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c2ccccc2O1	226012449	IEVZREGNQLMPGW-VWLOTQADSA-N	556.593	2.875	0	40	KFAB	
CC(C)(O)[C@@H](O)CC[C@@H](CO)[C@H]1CC[C@@]2(C)C3=C(C[C@H](O)[C@@]12C)[C@@]1(C)C[C@@H](O)[C@@H](OC(=O)C[C@@](C)(O)CC(=O)NCC(=O)O)C(C)(C)[C@H]1CC3	253529964	IOMBMOCSWVAYQU-IECKCVCPSA-N	709.918	2.842	0	40	KFAB	endogenous,in-man
Cn1c(CCC(=O)N2CCC3(CC2)COC[C@@](C)(O)[C@H](n2cnc4c(N)ncnc42)C3)nc2cc(Cl)ccc21	257314868	UYVYIMDNXOFMNP-FQRUVTKNSA-N	553.067	2.903	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(=O)O)cc3)c(=O)n2[C@H]1c1cccc(OC)c1OCC	408912144	PDPRNEIXLREKSD-FGGAIWKESA-N	522.579	2.904	0	40	KFAB	
CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)cc1	409030474	DNFRPLYCCDJFJD-VNSJDZJPSA-N	506.580	2.740	0	40	KFAB	
CN(C)c1ccc(C(=O)N2CCO[C@@](COc3cccc(Cl)c3)(CC(=O)N3CCOCC3)C2)cc1	585286114	NCLDTCUJGYJBAF-SANMLTNESA-N	502.011	2.945	0	40	KFAB	
CCOC(=O)C12C(C)=CC(C)([C@H]3C(=O)N(c4ccc(OC(C)=O)cc4)C(=O)[C@@H]31)[C@H]1C(=O)N(c3ccc(OC(C)=O)cc3)C(=O)[C@@H]12	8397150	BVJDYHYRDSMKSB-RZILEHQGSA-N	614.607	2.978	0	40	KFAB	
COC(=O)c1ccc(NC(=O)Cn2cc(OC)c(=O)cc2CN2CCN(c3ccc(F)cc3)CC2)cc1	16974603	HGBWPSTWVCFAOP-UHFFFAOYSA-N	508.550	2.744	0	40	KFAB	
COC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=S)N2CCCN2CCOCC2)cc1	19810165	PHKLSLGCBHDJGL-QFIPXVFZSA-N	510.616	2.526	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)CCC(=O)c3ccc(Cl)cc3)CC2)c(C)c1	32797481	VPSBXKHZZDFAMF-UHFFFAOYSA-N	507.008	2.996	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1Cl	59952425	FQRWINRLVJVYOL-NRFANRHFSA-N	538.047	2.914	0	40	KFAB	
CCOC(=O)/C=c1\s/c(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)c(=O)n1CC(=O)N[C@@H](C)CC	102979098	KMFKJSHKIWHJNS-BGVGXNCXSA-N	560.676	2.858	0	40	KFAB	
CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@H]2[C@@H](OC)[C@H]([C@@H]13)[C@@]1(OC(C)=O)C[C@H](OC)[C@@]2(O)C[C@@H]4[C@@H]1[C@H]2OC(=O)c1ccc(OC)cc1	103499409	GAZDXIGXYWVWQX-PKWKUSPHSA-N	643.774	2.715	0	40	KFAB	
CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O	222825996	FLBMLXWPPLRFOT-OAQYLSRUSA-N	505.637	2.802	0	40	KFAB	
CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O	223389965	MAFTZJROCQIFKG-LJQANCHMSA-N	512.028	2.677	0	40	KFAB	
CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	224153080	AACFJERUSZTCJX-OAQYLSRUSA-N	505.637	2.722	0	40	KFAB	
COc1ccc(OC)c(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(N4C(=O)CCC4=O)cc3)cc2)c1	225080506	YBRMGVZHNBCPPC-UHFFFAOYSA-N	545.595	2.959	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	225222839	ORGURGGEZSJOKA-ZWKOTPCHSA-N	523.627	2.941	0	40	KFAB	
COc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc(Br)c1OCc1cccc(C(=O)O)c1	408594146	SNRLMAJHXWXNFC-VIZOYTHASA-N	505.277	2.712	0	40	KFAB	
COCCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O	408608557	NYVBIHMTLBYUDZ-UHFFFAOYSA-N	512.426	2.929	0	40	KFAB	
O=C([C@H](CCCCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)N1CCCCCC1	408681026	IUGOSLKBUXVTBK-IVKVWBQSSA-N	523.674	2.990	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3/C(=O)N(CC)c4ccccc43)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1	409147297	VPWITOROPSBWNN-DYDJWCHCSA-N	563.632	2.561	0	40	KFAB	
CS(=O)(=O)N1CCN(Cc2cccnc2)C[C@H](C(=O)N2CCC3(CCCCc4ccccc4OCCCNC3=O)CC2)C1	643560486	TYDKLMCFIRYEER-NDEPHWFRSA-N	611.809	2.696	0	40	KFAB	
CC(C)c1ccc2c(c1)OCCC1(CCN(Cc3cccs3)CC1)NC(=O)[C@@H]1C[C@@H](O)CN1S2(=O)=O	1548891102	WFYZMHWSNWKOBQ-IRLDBZIGSA-N	533.716	2.929	0	40	KFAB	
COc1c2c(c(C)c3c1[C@H](OC(C)=O)[C@@H]1[C@](C)(C[C@H](O)[C@]4(O)C(C)(C)OC(=O)CC[C@]14C)O3)COC2=O	1772591540	DPTMJUCCXFJMTQ-ZYYJSSEYSA-N	518.559	2.663	0	40	KFAB	
Cc1nn(C)cc1[C@H](C(=O)NC1CCCCC1)N(C(=O)Cn1nnc2ccccc21)c1ccc(S(=O)(=O)N(C)C)cc1	922699	ADQFMPBJULGAGW-MUUNZHRXSA-N	592.726	2.947	0	40	KFAB	
CCCCn1c(N)c(N(CC(C)C)C(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c(=O)[nH]c1=O	13004016	UJZRVMRYBPXSRK-UHFFFAOYSA-N	519.668	2.786	0	40	KFAB	
CC(=O)N[C@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)O[C@@H]1Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1	98044709	AUZCUOOUVRHFOF-KNJMJIDISA-N	559.412	2.759	0	40	KFAB	
COc1ccc(CCN(Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)Cc2nnnn2C[C@H]2CCCO2)cc1OC	100368838	QUORUJOKVPCULA-JOCHJYFZSA-N	562.627	2.727	0	40	KFAB	
CC(C)[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCC2	102777708	RUPRDKAPKWCJPA-SFHVURJKSA-N	558.476	2.583	0	40	KFAB	
CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccccc4)coc3c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	103692548	IKJNNQJEFRCUHB-YOTWPPPCSA-N	568.531	2.922	0	40	KFAB	
COc1cccc(CN2CCN3C(=O)c4ccccc4OCC[C@@H]4CC[C@@H](NC(=O)NC(C)C)[C@@H](CNC(=O)[C@@H]3C2)O4)c1	253397458	FQZRQKJTEJJPSY-USCUKXROSA-N	593.725	2.544	0	40	KFAB	
COCc1cn([C@@H]2CC[C@H]3CCOc4ccccc4C(=O)N4CCN(CC5CCCCC5)C[C@H]4C(=O)NC[C@H]2O3)nn1	253406859	VDVDMDYEMSYIKX-DXLYGPJMSA-N	580.730	2.819	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	261016104	VHAFBGREODAUFA-MOPGFXCFSA-N	535.663	2.810	0	40	KFAB	
CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	261027943	WRFGGXFAKMMOQT-XXBNENTESA-N	547.674	2.955	0	40	KFAB	
COc1ccc(N(CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)S(C)(=O)=O)c(OC)c1	408622859	WKRMXWFGUYFHCT-UHFFFAOYSA-N	501.527	2.837	0	40	KFAB	
CCOC(=O)COc1cccc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)c1	409034020	GINRKONMUHTILX-VOZFUJEASA-N	506.580	2.740	0	40	KFAB	
Cc1ccc(NC(=O)CN2C(=O)N/C(=C\c3ccc(OCC(=O)N4CCOCC4)c(Br)c3)C2=O)cc1	409387809	QZJWPOUXRRPMFO-MOSHPQCFSA-N	557.401	2.527	0	40	KFAB	
CC(C)C[C@@H]1NC(=O)[C@H](CO)NC(=O)c2ccccc2OC[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCNC(=O)CC(C)(C)C)NC1=O	643580890	XLPZSIQUVJPZQD-SYKYGTKKSA-N	679.859	2.636	0	40	KFAB	
COCCNC(=O)[C@H](c1ccc2ncccc2c1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1	6136222	GTCDGZQPUMNJIB-QFIPXVFZSA-N	534.598	2.532	0	40	KFAB	
COC(CN(Cc1nc(N)nc(Nc2ccc(C)cc2)n1)Cc1nc(N)nc(Nc2ccc(C)cc2)n1)OC	13131467	SWSDIQVYFTXOPY-UHFFFAOYSA-N	531.625	2.946	0	40	KFAB	
COCCCNC(=O)Cn1c(=O)n(CCCCCC(=O)NCc2ccccc2Cl)c(=O)c2sccc21	33357756	ZAQBZBXUIRGZNT-UHFFFAOYSA-N	535.066	2.908	0	40	KFAB	
CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)N(CC(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	38140493	AWTPQIITHXOIHA-UHFFFAOYSA-N	541.630	2.650	0	40	KFAB	
COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1	59837934	QAYLPXLMKKYWCE-UHFFFAOYSA-N	531.656	2.766	0	40	KFAB	
O=C1[C@@H]2[C@@H](Cc3ccc(O)cc3)N[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C(=O)N1Cc1ccc2c(c1)OCO2	70701461	USLUCCCHZMUGNA-OHRDTETDSA-N	531.952	2.938	0	40	KFAB	biogenic
COc1ccc(OC)c2[nH]c(=O)c(CCNC(=O)C(=O)c3cn(CC(=O)N4CCCC4)c4ccccc34)cc12	97994487	APLZOHJKGBTZBB-UHFFFAOYSA-N	530.581	2.664	0	40	KFAB	
CCC(C)(C)NC(=O)[C@H](c1ccc(OC)cc1OC)N(CCN1CCOCC1)C(=O)Cn1nnc2ccccc21	100355919	QHQVUTXMLBCWPP-MHZLTWQESA-N	552.676	2.655	0	40	KFAB	
COc1ccccc1CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222857763	RANGBWPRICEODF-QFIPXVFZSA-N	599.681	2.968	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1	224339159	FAHDIQXZDXIZCY-NRFANRHFSA-N	570.133	2.862	0	40	KFAB	
NC(=O)c1ccnc2c1ccn2[C@@H]1CN(C(=O)CCCn2c(C(F)(F)F)nc3ccccc32)C[C@H]1O	257232464	GKYMPSVAKOZTJZ-RTBURBONSA-N	500.481	2.728	0	40	KFAB	
CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc(Br)c1OCC(=O)O	408550781	JXGYGTCGJAPYJJ-OQLLNIDSSA-N	513.366	2.970	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCC(=O)O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1	408833287	XNXJJFXKQDVWSI-MTCPJELPSA-N	664.474	2.884	0	40	KFAB	
CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(I)c1OCC(=O)O	409107230	RENKUAMZMNRWAG-RQZCQDPDSA-N	579.347	2.993	0	40	KFAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C3/C(=O)Nc4ccc(C)cc43)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	409116461	LYCXFJGQQJPXRG-SBXHHDGASA-N	546.649	2.752	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3/C(=O)N(CC)c4ccccc43)c(=O)n2[C@H]1c1cc(OC)ccc1OC	409145883	QLAJPNJDBFPYIL-AYWGPLOBSA-N	533.606	2.552	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCCC4)c(OC)c3)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1	409157145	UKTLDPOIGFAGJI-DVUZPASPSA-N	651.738	2.834	0	40	KFAB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)ccc3O[C@@H](C)C(=O)OC)C2=O)o1	409399456	IWIJJAWCERWBQT-GPILYODUSA-N	507.293	2.862	0	40	KFAB	
CCN1CCOc2ccccc2CCCC[C@]2(CN(C(=O)Cn3ncc4ccccc4c3=O)CCO2)C1=O	643557345	RYZZXDZJADSMDW-LJAQVGFWSA-N	518.614	2.648	0	40	KFAB	
CC[C@H](C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCOc2ccc(F)cc2)NC(=O)c2ccccc2OC[C@H](CC(C)C)NC1=O	643565244	DYRFVFIQBRRARM-RZVQSFSYSA-N	584.689	2.964	0	40	KFAB	
COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C4/C(=O)N(C)c5ccccc54)c(=O)n32)cc1	635386	XPRAACWAOFQVAJ-MOBKVPTQSA-N	503.580	2.542	0	40	KFAB	
COC[C@@H](C)n1c(COc2ccccc2F)nnc1SCC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O	3294659	GVZUFOWFTMPGBL-QGZVFWFLSA-N	568.631	2.670	0	40	KFAB	
CCCC(=O)OC[C@H]1O[C@@H](n2cnc3c(=S)nc(N)[nH]c32)[C@@H](OC(=O)CCC)[C@@H]1OC(=O)CCC	4887540	PBICKNLZVRHBCU-ACDDUUFCSA-N	509.585	2.736	0	40	KFAB	
Cc1ccc(NC(=O)C(=O)NCCN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1Cl	19830713	CLWUEUOCQUOVFF-UHFFFAOYSA-N	515.035	2.863	0	40	KFAB	
O=C([C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	19860901	KVUQMEWVDFNNTQ-NRFANRHFSA-N	520.051	2.955	0	40	KFAB	
O=C(C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1cn(CC(=O)N2CCCC2)c2ccccc12	21727988	YLORXAZKPSYQRQ-UHFFFAOYSA-N	502.571	2.520	0	40	KFAB	
Cc1coc2c(C)c3oc(=O)c(CC(=O)NCC(=O)NCC(=O)N[C@H](Cc4ccc(Cl)cc4)C(=O)O)c(C)c3cc12	70704920	CYYKUKSEFQOISX-JOCHJYFZSA-N	582.009	2.705	0	40	KFAB	biogenic
C[C@H]1CN(C(=O)COc2ccc(S(=O)(=O)c3ccc(OCC(=O)N4C[C@H](C)O[C@H](C)C4)cc3)cc2)C[C@H](C)O1	103110028	SJSDDOOPPNKPAV-MYGLTJDJSA-N	560.669	2.549	0	40	KFAB	
O=c1cccc2n1C[C@H]1C[C@H]2CN(S(=O)(=O)c2ccc3c(c2)OCCOCCOc2cc(S(=O)(=O)N4C[C@H]5C[C@H](C4)c4cccc(=O)n4C5)ccc2OCCOCCO3)C1	150520039	IMVHYSWWBHTDEG-HRDPQUPSSA-N	864.996	2.888	0	40	KFAB	
COc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2OC)cc1I	215961312	HUBWMKWLYMGDOF-UHFFFAOYSA-N	552.412	2.894	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	223067212	ZPCNVZVEVWLCFB-KRWDZBQOSA-N	568.490	2.930	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	223501555	VNTOXKMPUSMOQK-LJQANCHMSA-N	522.643	2.781	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O	223614782	NDGVIPCSZHGGLA-KRWDZBQOSA-N	557.454	2.919	0	40	KFAB	
Cc1ccc(OCCNC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)c(C)c1	223773800	XONLDUWVJIMQLA-UHFFFAOYSA-N	502.374	2.869	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1	224320087	AKWCVXCNWCICON-UHFFFAOYSA-N	614.584	2.971	0	40	KFAB	
CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	224381591	KSWGMEMZZUVWKU-FQEVSTJZSA-N	507.584	2.654	0	40	KFAB	
CC(C)c1ccccc1N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)S(C)(=O)=O	224394727	NELKZWIBVUGYDG-UHFFFAOYSA-N	537.704	2.946	0	40	KFAB	
COCCNS(=O)(=O)c1ccc(OCC(=O)N2CCN(c3cccc(Cl)c3)CC2)c(Cl)c1	408637105	XSVWSRQJTMUFDX-UHFFFAOYSA-N	502.420	2.646	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(=O)O)cc3)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1	408828132	LESJLGNPERFXNZ-VMOHIOPYSA-N	538.578	2.522	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/[C@H]3C(=O)N(c4ccccc4)N=C3C)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	409018599	NEEBFXBNLFFQNZ-WIJHPOSRSA-N	560.632	2.806	0	40	KFAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cn(CC(=O)N4CCOCC4)c4ccccc34)c(=O)n2[C@@H]1c1ccccc1OC	409163735	XCCVZHUJQXQQMD-KUSDHMTMSA-N	627.767	2.926	0	40	KFAB	
CC(=O)N1CCN(Cc2ccc(OCCCN3CCCCC3=O)cc2)C[C@](O)(COc2ccccc2)C1	585281092	WAUMUUUCPSTVAQ-GDLZYMKVSA-N	509.647	2.942	0	40	KFAB	
COCC(=O)N1CCN(CC2(O)CCN(c3cccc(C)c3)CC2)C[C@@](O)(COc2ccc(C)c(C)c2)C1	585283734	UEYPRBJRCAVQNZ-PMERELPUSA-N	525.690	2.544	0	40	KFAB	
O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)N1CCO[C@@]2(CCCCc3ccccc3OCCNC2=O)C1	643554586	FUNJNQIPJMIYRX-SANMLTNESA-N	525.009	2.513	0	40	KFAB	
O=C(CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc3c(c2)OCCO3)c1=O)NCc1ccco1	2689123	MIEBVJISKYKPKB-UHFFFAOYSA-N	532.553	2.653	0	40	KFAB	
CSCC[C@@H](C(=O)O[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)N1C(=O)c2ccccc2C1=O	3309162	DTZMRMKOQITDCN-UTKZUKDTSA-N	536.610	2.773	0	40	KFAB	
O=C(COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)Nc1ccccc1OC(F)F	8692390	HJGPWLRPUKQPFF-UHFFFAOYSA-N	526.514	2.642	0	40	KFAB	
O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1	20033152	TYTJSIVNNOZSPG-UHFFFAOYSA-N	505.662	2.551	0	40	KFAB	
COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1	60028875	YPTKEXYGPCPNIC-DEOSSOPVSA-N	545.639	2.977	0	40	KFAB	
COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H]2CN(S(=O)(=O)Cc3ccccc3)c3ccccc3O2)c1	100091260	MJYOVMNYJBYPOI-QHCPKHFHSA-N	524.551	2.996	0	40	KFAB	
COc1cc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccccc2F)ccc1-n1cnnn1	100337613	KXJZVYOELANYMP-WTYVLRPYSA-N	585.600	2.624	0	40	KFAB	
Cc1c(NC(=O)CSc2ccccc2C(=O)O[C@@H](C)C(=O)N2CCOCC2)c(=O)n(-c2ccccc2)n1C	103128264	LMQCRJFMEBBEBE-IBGZPJMESA-N	538.626	2.619	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	222855748	BXMAYTVTHBANKG-VWLOTQADSA-N	569.680	2.865	0	40	KFAB	
CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	224001823	JTYBWDFUAJPTSE-XMMPIXPASA-N	519.623	2.997	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)c2ccc(F)cc2)cc1	224218007	JKIKCKYADKRFNQ-UHFFFAOYSA-N	579.672	2.865	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1ccc(OC)cc1)[C@@H](C)C(=O)NCC(C)C)c1ccc2c(c1)OCO2	224472635	HYBWPJQCTOCVQU-IBGZPJMESA-N	533.647	2.770	0	40	KFAB	
C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1F)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C	224689645	UFKULEQEUTWFEY-IBGZPJMESA-N	504.628	2.915	0	40	KFAB	
COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]2[C@H]2C[C@H]3[C@@H]3C(=O)N(CCCC(=O)O)C(=O)[C@@H]23)cc1	248251852	PVTXWLUCAKHKQB-KTQPIVTQSA-N	500.598	2.783	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)[C@H](C)C(=O)NC2CCCC2)c1	260828974	ZVQDJBTXQWFPCE-LJQANCHMSA-N	534.654	2.923	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	261027941	WRFGGXFAKMMOQT-CVDCTZTESA-N	547.674	2.955	0	40	KFAB	
COc1ccc(N2C(=O)NC(=O)[C@@](Cc3ccc(O)c(OC)c3)(CN3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)C2=O)cc1	263585575	KFYSGPSROCVUBA-XYTRMVCOSA-N	572.618	2.502	0	40	KFAB	biogenic
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCCC4)cc3)c(=O)n2[C@H]1c1ccccc1	409155957	SEBOKBQILLFYSJ-QAHUDSGCSA-N	531.634	2.800	0	40	KFAB	
CCOC(=O)CN1C(=O)/C(=c2/sc3n(c2=O)[C@H](c2ccc(SC)cc2)C(C(=O)OCC)=C(C)N=3)c2ccccc21	409388022	JYABNGRSUPGBTI-SBXHHDGASA-N	577.684	2.800	0	40	KFAB	
CC1(C)NC(=O)C[C@@H](C(=O)NCCCN2CCCCCC2)NC(=O)c2ccccc2OC[C@@H](Cc2ccccc2)NC1=O	643568219	QKZLVDHAIGVPBW-VPUSJEBWSA-N	591.753	2.572	0	40	KFAB	
CC(C)[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCc2ccc(F)cc2)CCC(=O)N2CCC[C@H]2C(=O)N1	643572531	YTKLFSFPVIIXBK-SDHOMARFSA-N	552.647	2.587	0	40	KFAB	
CCCNC(=O)[C@@H]1CC(=O)N[C@@H](CC(C)C)C(=O)N(C)CCCCCCOc2ccccc2C(=O)N1	1615160907	RQDVZHUJRPIVSS-VXKWHMMOSA-N	502.656	2.643	0	40	KFAB	
COC(=O)c1cc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc4cc(OC)ccc4c3)C2=O)cc(C(=O)OC)c1	12645032	WPEVWEUEXGCDLF-MHZLTWQESA-N	519.510	2.827	0	40	KFAB	
Cc1c(Cl)ccc2c1NC(=O)[C@]21N[C@@H](CCC(N)=O)[C@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]21	16010393	OPQHQZAYMBZLGC-XITLKHQFSA-N	505.333	2.631	0	40	KFAB	
COc1ccc(C(=O)N[C@@H](CO)c2nnc(SCC(=O)Nc3ccc(Br)cc3)n2C)cc1	33671285	AIYGCYBYXZVHJI-KRWDZBQOSA-N	520.409	2.780	0	40	KFAB	
Cc1cccc(NC(=O)Cn2nc3n(CCC(C)C)c(=O)c4ccc(C(=O)NC(C)C)cc4n3c2=O)c1	64581251	OLFNDFQVPPWVGC-UHFFFAOYSA-N	504.591	2.942	0	40	KFAB	
OCCN1CCN(C[C@@H](O)Cn2c3ccc(I)cc3c3cc(I)ccc32)CC1	97986469	ZTVDEXVYOMZYID-QGZVFWFLSA-N	605.258	2.975	0	40	KFAB	
COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(-n3cnnn3)c(OC)c2)cc1OC	100335695	VUQCPGPFURAGCG-CHJDUVSTSA-N	627.662	2.503	0	40	KFAB	
COc1ccc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4C[C@H]([C@H]5C(=O)N(CCCC(=O)O)C(=O)[C@H]45)[C@H]23)cc1	100922229	PVTXWLUCAKHKQB-PBIFMTAESA-N	500.598	2.783	0	40	KFAB	
O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(Cc2ccccc2)CC1)Nc1ccc(Oc2ccccc2)cc1	101264718	IWWDWGFUIDEIHJ-NDEPHWFRSA-N	541.652	2.952	0	40	KFAB	
COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CCCN(c1ccccc1OC)S(C)(=O)=O	223903388	HVKALRFDZFHZTI-UHFFFAOYSA-N	513.638	2.575	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)N1CCN(c2cccc(Cl)c2)CC1	223947952	RXCWFKBAOJKZPW-UHFFFAOYSA-N	508.040	2.651	0	40	KFAB	
CSc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1NC(C)=O	224347243	QVDZJPXUSQRXOT-UHFFFAOYSA-N	513.663	2.509	0	40	KFAB	
CC(C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	224731443	XVRRGXKPBHGLKS-INIZCTEOSA-N	536.448	2.926	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O	225491704	ABNQZULNVOSTTB-OAHLLOKOSA-N	522.421	2.537	0	40	KFAB	
Cc1cc(C)cc(N(CCCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)S(C)(=O)=O)c1	225600494	LTLXCAFUTLNORH-UHFFFAOYSA-N	536.720	2.733	0	40	KFAB	
COc1ccc([C@@H](CC(=O)N2C[C@H](C(=O)NCc3ccccc3)Oc3ccccc32)NS(C)(=O)=O)cc1	225953545	XGPWGAXWUXIBPT-RCZVLFRGSA-N	523.611	2.786	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@H](C(=O)NC[C@H]3CCCO3)c3ccc(F)cc3)n2)cc1OC	245229845	HBHXJMCWVQQFKN-KHVXQDHOSA-N	582.633	2.541	0	40	KFAB	
CC(C)(C)OC(=O)COc1ccc(C(=O)N[C@@H]2C[C@H](n3cnc4c(NCc5ccccc5)ncnc43)[C@H](O)[C@@H]2O)cc1	257306076	SSUUKRGGFHFVLC-GETZNYBYSA-N	574.638	2.624	0	40	KFAB	
COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1C(=O)N1CCOCC1	408693414	SRNYZEVBRVOQJG-UHFFFAOYSA-N	549.602	2.908	0	40	KFAB	
COC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCC(=O)O)c3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC	408934770	CYFJOQSWFWGLRQ-BQHBEAIMSA-N	528.970	2.534	0	40	KFAB	
CCOC(=O)COc1cc(Br)c(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)cc1OC	409089442	NSFLJMSWVJLXTH-MIJYTDESSA-N	502.339	2.997	0	40	KFAB	
Cc1cc(OC[C@]2(CC(=O)N3CCN(C)CC3)CN(C(=O)CC[C@H]3CCCO3)CCO2)ccc1Cl	585285644	LWACPBCSCOORBW-RLWLMLJZSA-N	508.059	2.748	0	40	KFAB	
COC(=O)/C=C/CC/C=C/[C@H](OC)[C@H](O)[C@H](C)/C=C(/C)[C@H](O)[C@H](C)C(=O)CCCC1CC(=O)NC(=O)C1	1775963848	GNDOFUKVROHLCO-UFVBTLKVSA-N	521.651	2.800	0	40	KFAB	biogenic,in-vitro
CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)NC1CCN(c2c(Cc3ccccc3)c(C)nc3ncnn23)CC1	13565718	WZKWBANLSARAAE-AREMUKBSSA-N	529.620	2.995	0	40	KFAB	
Cc1c2c(=O)n(-c3ccccc3)nc-2c2c(n1CCN1CCOCC1)OC(=O)C[C@@H]2C(=O)Nc1ccccc1	19944021	SVZMJODBZXRJNG-QFIPXVFZSA-N	527.581	2.811	0	40	KFAB	
CCC(C)(C)NC(=O)[C@@H](c1ccccc1F)N(CCN1CCOCC1)C(=O)Cn1nnc2ccccc21	20109305	RHOUCTIUXWLKQD-RUZDIDTESA-N	510.614	2.777	0	40	KFAB	
CCOc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(S(=O)(=O)N(CC)CC)cc3)C2=O)cc1	32811075	GCYGHCIDRVKXFX-DEOSSOPVSA-N	502.593	2.522	0	40	KFAB	
O=C(Nc1snnc1C(=O)N1CCN(c2cccc(Cl)c2)CC1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O	101377996	YJZMTYUMYJOHCO-SJORKVTESA-N	540.049	2.967	0	40	KFAB	
COC(=O)[C@@H]1[C@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C/c3c(C)nn(-c4ccccc4)c3C)c(=O)n12	105263537	ZGQVOMJTPLZNRP-IKOLKIHISA-N	500.580	2.662	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O	216243060	XZLOTKJLKIEHNZ-UHFFFAOYSA-N	516.041	2.846	0	40	KFAB	
Cc1ccc(S(=O)(=O)NCCNC(=O)COc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2C)cc1	222786350	YIBLUTLCNVIIKF-UHFFFAOYSA-N	557.694	2.918	0	40	KFAB	
COC(=O)CSc1nnc(NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)s1	223284518	KMUYZTPVZZAZEG-UHFFFAOYSA-N	598.681	2.672	0	40	KFAB	
CN(CC(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1)S(C)(=O)=O	223469750	LSUOTKOFVLJZNC-AREMUKBSSA-N	541.601	2.832	0	40	KFAB	
CSc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1NC(=O)C(C)C	223780181	LSVSEYQLIJNOAS-UHFFFAOYSA-N	513.663	2.825	0	40	KFAB	
Cc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)C[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N3CCCC3)cc1)O2	224324596	PNPDOEYQFGKQAD-MHZLTWQESA-N	585.704	2.931	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O	225484004	ZJUBFVVSZZRZLS-CQSZACIVSA-N	500.390	2.518	0	40	KFAB	
C[C@@H]1CC[C@]2(C(=O)O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O	253529482	AWFZJSUJFSUBQU-DSCUDYERSA-N	664.833	2.528	0	40	KFAB	biogenic,in-vitro
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCOCC4)o3)c(=O)n2[C@H]1c1ccccc1OC	409097306	MXSHEEHLWXKIFS-MSMNXAATSA-N	536.654	2.542	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C)c4ccccc43)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1	409111847	CPVNYFUCRZAYKU-AGGMBTAESA-N	568.449	2.916	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1	1780158	VUPPLOWXEISRMM-CBYYHRJHSA-N	550.589	2.658	0	40	KFAB	
Cc1ccc(-n2c(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)nc3sc4c(c3c2=O)CCCC4)cc1	3361398	MFIOMLYMEPTZBL-UHFFFAOYSA-N	523.640	2.589	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@@H](C(=O)NC3CCCC3)c3cccs3)n2)cc1	7060463	PNJFPVMLAKJUGR-AREMUKBSSA-N	567.716	2.761	0	40	KFAB	
COCCNC(=O)[C@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(C)ccc1C	12467358	IYOHZNQHQJDKFJ-NRFANRHFSA-N	511.604	2.600	0	40	KFAB	
COc1ccc(/C=c2/sc3n(c2=O)N[C@@]2(c4ccccc4)N(C)C(=O)N(C)[C@]2(c2ccccc2)N=3)cc1	13764103	MMGMNUOTXKHGRH-FXLYIBRJSA-N	511.607	2.627	0	40	KFAB	
Cc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OCC(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1	59852034	QYJLTILGRWESMT-UHFFFAOYSA-N	543.667	2.692	0	40	KFAB	
NC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2c1CCN(Cc1ccccc1)C2	97957491	HFHPVDJAGHOZOS-UHFFFAOYSA-N	540.667	2.679	0	40	KFAB	
COc1ccc(C(=O)N[C@@H](CCSC)C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1	103038289	UZJLOESCRPMSHN-KRWDZBQOSA-N	532.109	2.795	0	40	KFAB	
COC(=O)c1cc(NC(=O)CN2C(=O)NC(c3ccc(OC)cc3)(c3ccc(OC)cc3)C2=O)cc(C(=O)OC)c1	103136709	RULWGIBXOYECAT-UHFFFAOYSA-N	561.547	2.711	0	40	KFAB	
CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H](C(=O)NCCc3ccccc3)Oc3ccccc32)ccc1OC	222913739	NUQCQJAPHAXEJC-DEOSSOPVSA-N	523.611	2.760	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O	223051041	AHDOAFLVYONHDU-MRXNPFEDSA-N	526.453	2.777	0	40	KFAB	
O=C1[C@@H]2C[C@@H](O)CN2C2(CN(Cc3cccc(OC(F)(F)F)c3)C2)C(=O)N1Cc1cccc(Cl)c1	225389597	VUYGDQBHLXHXHY-QUCCMNQESA-N	509.912	2.797	0	40	KFAB	biogenic,in-vitro
CN1CCN(C(=O)C[C@H]2CN(C(=O)CCCn3cccn3)CC[C@@H]2Oc2cccc(Br)c2)CC1	257230735	GDQZLTMAWGHDNY-REWPJTCUSA-N	532.483	2.886	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/[C@H]3C(=O)N(c4ccccc4)N=C3C)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	409017802	HQCCRUJZXOBOHY-XQAGHGPTSA-N	544.589	2.518	0	40	KFAB	
COc1ccc(OC)c([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C4/C(=O)Nc5ccc(C)cc54)c(=O)n32)c1	409121202	SWJSHOGMKOZNIH-ZHHPLPSFSA-N	533.606	2.835	0	40	KFAB	
CCOC(=O)COc1c(/C=C2/NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(Br)cc1OC	409398805	CVOJCQOBHFXMGO-OVCLIPMQSA-N	537.319	2.872	0	40	KFAB	
COC(=O)C[C@H](c1cccc(OCC(N)=O)c1)c1c(O)c(C(C)=O)cc([C@H]2OCc3cnc(C)c(O)c32)c1O	524732034	UQWCUWMSTNSNKX-WHLCRQNOSA-N	536.537	2.888	0	40	KFAB	biogenic
CC(=O)N1CCCN(C)CCN(C(=O)[C@@H]2CCN(S(=O)(=O)c3ccc(F)cc3)C2)Cc2ccccc21	618017079	BEKGGFUICMJFDI-JOCHJYFZSA-N	516.639	2.554	0	40	KFAB	
CCC(CC)C(=O)N1CC(=O)N2CC[C@@H](CC(=O)N3CCN(C=O)CC3)[C@@H](C=CCOc3ccccc3C1)C2	958317827	QGWIYUDGMUFVOO-DQEYMECFSA-N	538.689	2.555	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCN3CC(=O)Nc4cc(-c5cccnc5F)ccc4OC[C@H]3C2)cc1	1772594622	QTMANDUMAMWZSS-GOSISDBHSA-N	512.563	2.602	0	40	KFAB	
Cc1ccc(-c2nnn(CC(=O)N(c3ccccc3)[C@@H](C(=O)NC[C@H]3CCCO3)c3ccncc3)n2)o1	903981	LJGPOWPVYYRRCE-ZJSXRUAMSA-N	501.547	2.706	0	40	KFAB	
COC(=O)c1ccc(C(=O)OC)c(NC(=S)N2CCN(C(=S)Nc3cc(C(=O)OC)ccc3C(=O)OC)CC2)c1	4767809	SDYMTIACOFVGMW-UHFFFAOYSA-N	588.664	2.544	0	40	KFAB	
CC(=O)OC[C@H]1O[C@@H](n2nc(/C=C\c3ccco3)c(=O)n(-c3ccccc3)c2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	5439800	PMQNGEUTJPILSW-RKGJACCLSA-N	627.628	2.782	0	40	KFAB	
CC(C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O	8876596	FTEVFWCCRZCTJD-UPUUWEMXSA-N	509.628	2.988	0	40	KFAB	biogenic
Cn1c(=O)c2c(nc3n(Cc4ccc5c(c4)OCO5)c(-c4ccc(Br)cc4)cn23)n(C)c1=O	9192079	JTMHGMCHPATJDZ-UHFFFAOYSA-N	508.332	2.893	0	40	KFAB	
O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1nn(Cc2ccccc2)c(=O)c2ccccc12	13163318	CRTYFGPRQCQOHN-UHFFFAOYSA-N	504.568	2.718	0	40	KFAB	
CCN1C(=O)/C(=c2\sc3n(c2=O)[C@@H](c2ccccc2Cl)C(C(=O)OCCOC)=C(C)N=3)c2ccccc21	100754956	QFJPCAPALPOYEZ-VFJWVMJUSA-N	538.025	2.815	0	40	KFAB	
CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O	223394225	LRGGJDROCYIEOP-HXUWFJFHSA-N	573.453	2.619	0	40	KFAB	
CC(=O)N[C@@H]1CC(=O)[C@]23C(=O)N[C@H](Cc4c[nH]c5ccccc45)[C@@H]2C(C)=C(C)[C@H](O)[C@@H]3/C=C/C[C@H](C)/C=C(/C)[C@H](O)[C@H]1O	252514966	FOADMCJCIRJHTO-NRCFYWFYSA-N	589.733	2.867	0	40	KFAB	biogenic,in-vitro
CC(C)[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)CCC(=O)N(C)CC(=O)N1	643572325	UQCGBUZIYZRQJW-UIOOFZCWSA-N	596.700	2.561	0	40	KFAB	
CON(C)S(=O)(=O)c1ccc(Cl)c(C(=O)O[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)c1	13076296	RITQOMYQVQDRQM-OAHLLOKOSA-N	511.984	2.543	0	40	KFAB	
COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)cc3)c(=O)n2[C@H]1c1ccc(C(=O)OC)cc1	16713842	MGJNHCMPKMLXTA-QFVBLGFASA-N	506.580	2.520	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@@H](C(=O)NC3CCCC3)c3ccc(C)o3)n2)cc1	17376571	QYARZVQBYMZCMB-HHHXNRCGSA-N	565.675	2.601	0	40	KFAB	
Cc1ccc(NC(=O)C[S@@](=O)CC(=O)N(CC(=O)NC2CCCC2)c2ccc3c(c2)OCCO3)cc1	20097725	GBZJJIJFGDAQCH-BHVANESWSA-N	513.616	2.545	0	40	KFAB	
Cc1noc(CCCn2c(=O)c3cc4c(cc3n(CC(=O)Nc3cccc(Cl)c3C)c2=O)OCO4)n1	62728278	OABHSDKYOKUGEA-UHFFFAOYSA-N	511.922	2.817	0	40	KFAB	
COc1cccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c1OC	100468868	SNDHHHAZAWNEFN-OAQYLSRUSA-N	557.591	2.739	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NS(=O)(=O)c1nnc(NC(=O)c2ccc(C)cc2)s1	222840532	ZOUPGZJASSZYFK-UHFFFAOYSA-N	537.645	2.693	0	40	KFAB	
C[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(Br)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	224105026	JFVRHQOKTZKNLC-OAHLLOKOSA-N	536.448	2.926	0	40	KFAB	
C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)[C@H](O)C[C@]2(C)[C@]12Cc1c(O)cc3c(c1O2)CN([C@H](CCC(=O)O)C(=O)O)C3=O	257809834	DIVSBLPHAPTLNH-CYABWLGASA-N	531.602	2.544	0	40	KFAB	biogenic,in-vitro
CCOC(=O)N1CCN(C(=O)COc2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2Cl)CC1	408636104	SGEINOFPFQULTC-UHFFFAOYSA-N	522.023	2.767	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)ccc3O)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	408718870	QUAITMYYNNSCHZ-LYFUXTGPSA-N	590.395	2.837	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/[C@H]3C(=O)NC(=S)N(c4ccccc4)C3=O)c(=O)n2[C@@H]1c1ccccc1OC(C)C	408824550	IFCWJTMGFYCRNE-XUBMBQCSSA-N	604.710	2.601	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccc(Cl)cc43)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	409121589	WWCPEEIZRAUMLB-AGGMBTAESA-N	539.997	2.791	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCCC4)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC	409160053	PJQMHFZRBQKJJF-DBLMTGOPSA-N	591.686	2.817	0	40	KFAB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(O[C@@H](C)C(=O)OC)c(Br)c3)C2=O)o1	409402551	WOXUBOOUZBJUOI-GPILYODUSA-N	507.293	2.862	0	40	KFAB	
COc1ccc(OC)c(S(=O)(=O)N(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]2NCc2ccccc2)c1	575423419	QCEFZJGVMCIVSX-BJKOFHAPSA-N	530.668	2.850	0	40	KFAB	
COc1cccc([C@@H]2[C@@H](C(C)C)CN(C(C)=O)C[C@H](OC)[C@@H](O)[C@@H](O)COCCCCN2C(=O)CN(C)CCc2ccccn2)c1	643585134	QNRCMNLVPWQQIE-HYKYCYJKSA-N	642.838	2.802	0	40	KFAB	
O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1)Nc1nnc(C(F)(F)F)s1	1872531	ZEUWLUHXIKAQMU-UHFFFAOYSA-N	562.415	2.633	0	40	KFAB	
O=C(COc1ccc(F)cc1)NCCn1ncc2c(=O)n(Cc3ccc(Br)cc3)cnc21	12071341	WDEMLTARWUAWJT-UHFFFAOYSA-N	500.328	2.738	0	40	KFAB	
O=C1[C@H]2[C@@H](C(=O)N1C[C@H]1CCCO1)[C@H]([C@H](O)c1ccc(Cl)cc1)N[C@@]21C(=O)Nc2c(Cl)cccc21	13607841	HDWWXRJOJFWTMD-DUZRCNAVSA-N	516.381	2.626	0	40	KFAB	
C[C@@H](NS(=O)(=O)c1ccc(CCC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1)c1ccccc1	20032954	LGHGZBSQXMANFG-GOSISDBHSA-N	501.630	2.623	0	40	KFAB	
COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1C(=O)N1CCCC1	20041237	IMGNVWZZLOOJQX-UHFFFAOYSA-N	516.601	2.928	0	40	KFAB	
CC[C@H]1CCc2sc(C(=O)OCC(=O)N(CCOC)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)cc2C1	38140771	KIRWWGAGCYBTGO-KRWDZBQOSA-N	540.642	2.580	0	40	KFAB	
Cn1c(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c(O)c1CN1CCN(Cc2cccc(Cl)c2)CC1	85878203	LAFUCBJSKQCBBO-PKTZIBPZSA-N	550.103	2.843	0	40	KFAB	biogenic
CC[C@H]1CCCCN1S(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)ccc1OC	98005159	BOEVVVIJJFZJOB-QFIPXVFZSA-N	564.730	2.837	0	40	KFAB	
COc1cc(/C=c2\sc3nc(-c4ccccc4OC(C)=O)nn3c2=O)cc(Br)c1OC(C)=O	98046299	GTEPEXQYRQMDBP-ZDLGFXPLSA-N	530.356	2.987	0	40	KFAB	
Nc1nc(COC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)nc(Nc2ccccc2)n1	102904501	XEAWVGVPNAQVKL-UHFFFAOYSA-N	519.381	2.758	0	40	KFAB	
C[C@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2nc3cc(Cl)ccc3c(=O)n2C[C@@H]2CCCO2)C1=O	103122842	MGWIOWWBLBJHRI-SSOJOUAXSA-N	542.017	2.819	0	40	KFAB	
CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc(Cl)cc3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	103692690	JWTWVAVUQMMSIC-VNGQLYDISA-N	592.981	2.933	0	40	KFAB	
CCCn1c(N2CCN(C[C@H](O)COc3c(Br)cc(Br)cc3Br)CC2)nc2c1c(=O)[nH]c(=O)n2C	150376972	MYPUDEZCOMGRJD-AWEZNQCLSA-N	679.208	2.683	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1OC)S(C)(=O)=O	222755191	PNGVVCRZJFIBGN-CQSZACIVSA-N	502.420	2.931	0	40	KFAB	
CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O	223391383	GXDIASZJUWDFAY-LJQANCHMSA-N	526.453	2.777	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O	225393415	LBKQCRGESPOJQG-CQSZACIVSA-N	563.845	2.874	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	225410087	OIVDQQFCECPKPW-RBUKOAKNSA-N	522.643	2.779	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C	225538578	DOBYYPRGBFTERC-SANMLTNESA-N	522.671	2.994	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225563345	SQGPZESAELEZNE-VWLOTQADSA-N	551.665	2.918	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(C)CC(=O)N2C[C@@H](C(=O)NCCc3ccccc3)Oc3ccccc32)cc1	226001972	DIHPXTSHQULOEY-VWLOTQADSA-N	507.612	2.769	0	40	KFAB	
COc1cccc(OC)c1C(=O)NN1C[C@@H](C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)CC1=O	408661450	VWGBFJKJZIQAAU-LBPRGKRZSA-N	510.330	2.686	0	40	KFAB	
CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc(I)c1OCC(=O)O	409229198	LBNAYGRNOXCZGF-CXUHLZMHSA-N	595.346	2.693	0	40	KFAB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@H]2NCc2ccccc2)cc1	575426413	SRBLGIZPSKPQGX-JWQCQUIFSA-N	500.642	2.842	0	40	KFAB	
CC(=O)O[C@H]1[C@@H](OC(=O)c2ccc(C)cc2)[C@@H](COC(=O)c2ccc(C)cc2)O[C@H]1n1cc(I)c(=O)[nH]c1=O	5223268	NRUPRHFQGBCWJJ-HOUBMWHVSA-N	648.406	2.670	0	40	KFAB	biogenic,in-vitro
Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(c3ccccc3)CC1)n2CCSc1nc2ccccc2o1	9282060	IFLOTPJEYYWKDV-UHFFFAOYSA-N	503.588	2.683	0	40	KFAB	
NC(=O)c1nsc(C(=O)N(c2ccc3c(c2)OCO3)[C@H](C(=O)NC2CCCC2)c2ccc(O)cc2)c1N	12474245	LZRIPUDFOLNERS-NRFANRHFSA-N	523.571	2.705	0	40	KFAB	
CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O	13712320	NXCCNWHJNFSNGD-FQEVSTJZSA-N	516.041	2.544	0	40	KFAB	
COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1	59838644	RMCHYEBXVLZEOE-JOCHJYFZSA-N	549.715	2.895	0	40	KFAB	
COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3cc(C(F)(F)F)ccc3N3CCOCC3)C2=O)cc1OC	102996710	RJHXVASHKHUIBP-DEOSSOPVSA-N	536.507	2.965	0	40	KFAB	
COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2n[nH]c(=O)c3ccccc23)ccc1N1CCOCC1	103011857	SJXIGGHKZRIFLA-UHFFFAOYSA-N	535.582	2.821	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1	222949258	BOPYKQQRJHGKMX-HXUWFJFHSA-N	501.649	2.966	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223498164	PGASHNZKVVTLKM-IBGZPJMESA-N	533.647	2.566	0	40	KFAB	
CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	224936470	MMEAGPWEGRHTKG-JOCHJYFZSA-N	515.632	2.809	0	40	KFAB	
S=C(NCCN1CCOCC1)Nc1nc(N2CCN(c3ccccc3)CC2)cc(N2CCc3ccccc3C2)n1	225904748	XBGORVHRWCGNQG-UHFFFAOYSA-N	558.756	2.985	0	40	KFAB	
CC(=O)N[C@@H]1CC(=O)[C@]23C(=O)N[C@H](Cc4c[nH]c5ccccc45)[C@@H]2C(C)=C(C)[C@H](O)[C@@H]3/C=C/C[C@H](C)/C=C(/C)[C@@H](O)[C@@H]1O	252514967	FOADMCJCIRJHTO-WFUXLQSNSA-N	589.733	2.867	0	40	KFAB	biogenic,in-vitro
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(=O)[C@H](C)[C@H]2OC(=O)O[C@@]12C	257493649	NKLGIWNNVDPGCA-HBQMJTBESA-N	759.931	2.968	0	40	KFAB	biogenic
CCS(=O)(=O)N(CC(=O)N(CCc1ccccc1)[C@H](C)C(=O)NC(C)(C)C)c1ccc2c(c1)OCCO2	260792353	OBSQVIMRDJMSRK-HXUWFJFHSA-N	531.675	2.988	0	40	KFAB	
CCC(C)(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	299818022	YLXBZBPHTNJZQE-WWQMJVPQSA-N	591.753	2.911	0	40	KFAB	world
Cc1cc(NC(=O)CSC2=Nc3ccccc3C3=N[C@@H](CC(=O)NCc4ccccc4)C(=O)N23)n[nH]1	2968165	QEBLOHVLEYESDP-IBGZPJMESA-N	501.572	2.755	0	40	KFAB	
COc1ccc(N(CC(=O)NCc2ccccc2)C(=O)Cn2nnc(-c3ccccc3F)n2)cc1OC	12705695	SRKIUOGURLZNAJ-UHFFFAOYSA-N	504.522	2.846	0	40	KFAB	
O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1	20033090	VUIUSSRIQBCFGP-UHFFFAOYSA-N	519.689	2.895	0	40	KFAB	
COCCN(C(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	95567231	RKAMINLREKOJNB-UHFFFAOYSA-N	539.976	2.522	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NCCN2C(=O)S/C(=C\c3ccc4c(c3)OCO4)C2=O)c1	97980398	SLACSLXCYCZPRL-UCQKPKSFSA-N	572.665	2.732	0	40	KFAB	
CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	222867926	PQMCMBVIVIYPEB-QFIPXVFZSA-N	535.663	2.810	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O	223224813	YOILVSVUALOBQU-AREMUKBSSA-N	523.655	2.843	0	40	KFAB	
COc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc(OC)c(N4CCCC4=O)c3)n2)cc1OC	223606967	AHJQMSXUHFZTMM-UHFFFAOYSA-N	502.549	2.710	0	40	KFAB	
Cc1c(CCC(=O)N2CC[C@H](Oc3cccc(Cl)c3)[C@@H](CC(=O)N3CCN(C)CC3)C2)cnn1C	257212343	CCYWXYQUPXZXRW-URXFXBBRSA-N	502.059	2.775	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O	260940641	ISDGXNBIWRWDDJ-MOPGFXCFSA-N	517.648	2.996	0	40	KFAB	
COc1cc(OC)cc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3ccc(Br)cc3Cl)CC2=O)c1	408663430	YEIFWHHPNZZNFB-CYBMUJFWSA-N	554.781	2.795	0	40	KFAB	
COCC(=O)N1CCCN(C)CCN(C(=O)c2nc(C)n(-c3ccc(OC)cc3)n2)Cc2ccccc21	643554910	PQDLZNSKTLRSOC-UHFFFAOYSA-N	506.607	2.542	0	40	KFAB	
Cc1ccccc1-n1c(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)nnc1-c1c[nH]c2ccccc12	3359221	ZHPYCZHKWPFIDX-UHFFFAOYSA-N	501.572	2.679	0	40	KFAB	
COc1ccc([C@@H](CNC(=O)CCNS(=O)(=O)c2ccccc2C(F)(F)F)N2CCOCC2)cc1	32969186	PVCCCORJEFPTFT-HXUWFJFHSA-N	515.554	2.572	0	40	KFAB	
O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)NCc1ccc(S(=O)(=O)N2CCCC2)cc1	59838911	UHKCPNFIFGPFRS-UHFFFAOYSA-N	535.688	2.777	0	40	KFAB	
COc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1S(=O)(=O)NCc1ccccc1	59852305	IFVSOBITOHQIAF-UHFFFAOYSA-N	543.667	2.888	0	40	KFAB	
COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@@H](CO)C(=O)O)C(=O)N32)c1	70707017	QAVZZVFVPJFAED-GVUKDKGQSA-N	554.559	2.835	0	40	KFAB	biogenic
COC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](c3nc(O)c4nnn(Cc5ccccc5Cl)c4n3)C2)cc1	100467226	UDCZJOSAADGWCV-KRWDZBQOSA-N	543.005	2.984	0	40	KFAB	
CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](Cc4ccc(O)cc4)N[C@@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)cc1	101276566	UREWEQHDQCCSQR-HNFJUSDZSA-N	529.524	2.876	0	40	KFAB	
C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC[C@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCO5)c(C(F)(F)F)oc3c2)[C@@H](O)[C@H](O)[C@@H]1O	150426255	XDLBSNLAIQNWON-QETIAIEOSA-N	697.612	2.893	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)cc1	224223978	BJKOLJXRJQVUKF-UHFFFAOYSA-N	530.068	2.574	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	224680826	DXIHOJWXIFVDBX-LJQANCHMSA-N	505.637	2.722	0	40	KFAB	
CN(CC(=O)NCCSc1nc(-c2ccccc2)n[nH]1)S(=O)(=O)c1ccc(Br)cc1	226020875	VOCGDSLWUMXLQO-UHFFFAOYSA-N	510.439	2.763	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)C2)cc1	260728454	BJLBMGDLFVVSIL-SFHVURJKSA-N	509.650	2.683	0	40	KFAB	
CC(C)C[C@H]1NC(=O)C[C@@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)NC(=O)c2ccccc2OCCN(C)C1=O	643565155	CMFLKWIZGPFMBE-IZZNHLLZSA-N	596.700	2.561	0	40	KFAB	
c1ccc(OCCOCCOCCOCCNCCOCCOCCOCCOc2ccccc2)cc1	4792234	UMLZKIKDKUNPMX-UHFFFAOYSA-N	521.651	2.834	0	40	KFAB	
COC(=O)c1ccc(NC(=O)CSc2ccc3nnc(CCNC(=O)c4ccc(C)cc4)n3n2)cc1	9578490	IAOCWKRWSBOAAL-UHFFFAOYSA-N	504.572	2.923	0	40	KFAB	
CCOC(=O)CNC(=O)CSc1nnc(Cn2c(=O)sc3ccccc32)n1CCc1ccccc1	11758362	LOUNZWOQJSOSGG-UHFFFAOYSA-N	511.629	2.717	0	40	KFAB	
CC(C)CN(C(=O)COC(=O)c1nc(Cl)ccc1Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	13014937	RLRMJGHYOLIYEH-UHFFFAOYSA-N	520.373	2.715	0	40	KFAB	
CCN(c1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)cc1)S(C)(=O)=O	14167450	BXPBQVCCSWRTKZ-NRFANRHFSA-N	508.394	2.885	0	40	KFAB	
CCOc1cc(NC(=O)c2cccs2)c(OCC)cc1NC(=O)CCC(=O)NCCN1CCOCC1	19823942	CGXVEHMVPLHKKY-UHFFFAOYSA-N	518.636	2.965	0	40	KFAB	
Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1	20032542	XPVIOFDNXXUUPX-UHFFFAOYSA-N	517.629	2.741	0	40	KFAB	
CC(=O)Nc1cc(NC(C)=O)cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1	23074380	KGTRALCYFMTOFC-HNNXBMFYSA-N	516.576	2.572	0	40	KFAB	
NS(=O)(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCCC2)c2ccco2)cc1	100285759	AQPJRIPYQPXYHD-VWLOTQADSA-N	536.614	2.895	0	40	KFAB	
COc1cc(S(=O)(=O)N2CCC(c3nc(O)c4nnn(Cc5c(Cl)cccc5Cl)c4n3)CC2)ccc1-n1cnnn1	100446403	XZYDUGXQUWSIIE-UHFFFAOYSA-N	617.479	2.835	0	40	KFAB	
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)/N=c3\sc4cccc(OC)c4n3CC)cc2)CC1	100820330	FQHSSLUACZSFJH-BZZOAKBMSA-N	532.644	2.935	0	40	KFAB	
CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1	103099894	VRBPMHZNRDQHBR-UHFFFAOYSA-N	602.131	2.506	0	40	KFAB	
NS(=O)(=O)c1ccc(NC(=O)COC(=O)C[C@H](NS(=O)(=O)c2ccc(Cl)cc2)c2ccc(F)cc2)cc1	103118467	UXFBQLZFTDOVML-NRFANRHFSA-N	570.020	2.718	0	40	KFAB	
CCOc1ccccc1N(CCCC(=O)N(Cc1cccc(OC)c1)[C@@H](C)C(=O)NC)S(C)(=O)=O	222819684	KGYVEYSRRCDLJJ-IBGZPJMESA-N	505.637	2.803	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223452059	CHHBYODAQFLDMD-IBGZPJMESA-N	533.647	2.566	0	40	KFAB	
C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O	223525257	QIBVXXDZRDADKK-OAHLLOKOSA-N	501.577	2.933	0	40	KFAB	
CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	225434510	WSYHHKPLQVBWBD-JOCHJYFZSA-N	519.664	2.846	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCC2)cc1	260747709	AQRHDJDTHWWDLI-LJQANCHMSA-N	547.674	2.955	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)[C@H](C)C(=O)NC(C)(C)C)cc1	260813205	VAOIJDSHZZZPEW-GOSISDBHSA-N	505.637	2.802	0	40	KFAB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OC)cc4OC)c(=O)n32)cc1OCC	408939792	UJTTVYCZAANZJS-HYIDZWCSSA-N	524.595	2.833	0	40	KFAB	
CC[C@H](C)N(C(=O)COC(=O)CNC(=O)c1sc2ccccc2c1Cl)[C@H]1CCS(=O)(=O)C1	14672566	DVZXKZPJQZRKMB-KBPBESRZSA-N	501.026	2.642	0	40	KFAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)c4cc(F)c(F)cc4Cl)[C@@H]3SC2)s1	17356883	UAHYTULENJCXQX-LRDDRELGSA-N	518.976	2.923	0	40	KFAB	
O=c1[nH]c2cc3c(cc2cc1CN(CCc1ccccc1)Cc1nnnn1C[C@H]1CCCO1)OCCO3	20109368	MNQYSTHVEQYKGW-JOCHJYFZSA-N	502.575	2.710	0	40	KFAB	
CCOC(=O)CSc1nc2cc3c(cc2c(=O)n1CCC(=O)N1CCN(c2ccccc2)CC1)OCO3	20644479	RQRRNVHEZINSSD-UHFFFAOYSA-N	524.599	2.519	0	40	KFAB	
O=C1C[C@@H](N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)C(=O)N1c1ccc(F)cc1F	25777280	CVPUIQBLICINJZ-GOSISDBHSA-N	503.449	2.622	0	40	KFAB	
COC(=O)[C@]1(C)[C@@H](OC(C)=O)C[C@@H](OC(C)=O)[C@]2(C)c3c(O)cc(C(C)C)cc3[C@@H](O)[C@@H](OC(C)=O)[C@@H]12	72320268	CDYGRHOHQUXDMN-LPPXMCOVSA-N	520.575	2.815	0	40	KFAB	biogenic,in-vitro
C[C@H](OC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1)C(=O)N[C@@H]1CCCC[C@@H]1C	108318655	VWTOETCPMQEPDG-RLFYNMQTSA-N	517.442	2.710	0	40	KFAB	
O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1	215956384	UCEPNUPIVQVLKE-HSZRJFAPSA-N	551.606	2.872	0	40	KFAB	
COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)[C@H](C)C(=O)NCCO)cc1	222940242	OUCYYLGWTFDMMH-LJQANCHMSA-N	559.616	2.540	0	40	KFAB	
CC(C)CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	224508792	ISCMJSYGDTXWCX-HXUWFJFHSA-N	506.644	2.671	0	40	KFAB	
Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)s2)c1	225188296	SINAFFFPYIRKKF-INIZCTEOSA-N	501.590	2.808	0	40	KFAB	
COc1ccc(NC(=O)CCCN(c2cccc(C)c2C)S(C)(=O)=O)cc1S(=O)(=O)N1CCOCC1	225407297	AVSZTHXTBMSPBO-UHFFFAOYSA-N	539.676	2.518	0	40	KFAB	
COc1ccc([C@H](CC(=O)N2C[C@H](C(=O)NCc3ccccc3)Oc3ccccc32)NS(C)(=O)=O)cc1	225953556	XGPWGAXWUXIBPT-WIOPSUGQSA-N	523.611	2.786	0	40	KFAB	
CC(C)(O)CCC(=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@H](O)C4(C)C)[C@]3(C)C(=O)C[C@@]12C	253610391	VVBWBGOEAVGFTN-BYYYRFDPSA-N	520.707	2.944	0	40	KFAB	biogenic
Cc1ccccc1S(=O)(=O)N1CCO[C@@](COc2cccc(Cl)c2)(CC(=O)N2CCN(C)CC2)C1	257281298	OOMWAFAXWFLEDK-VWLOTQADSA-N	522.067	2.651	0	40	KFAB	
CCOC(=O)c1ccc(NC(=O)CSc2nnc([C@H](CO)NC(=O)c3ccc(OC)cc3)n2CC)cc1	408597026	YTLNZQCTMUEHGE-FQEVSTJZSA-N	527.603	2.678	0	40	KFAB	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)O)cc3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC	408942738	LBKXOZUPQVQNOJ-CVUKOHAISA-N	528.970	2.534	0	40	KFAB	
O=C(C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1)O[C@@H]1C[C@H](C(=O)O)[C@H](O)[C@H](O)[C@@H]1O	504010045	LPTYJDZEBFATMR-IDXBRKCQSA-N	595.620	2.533	0	40	KFAB	
O=C(Cc1noc2ccccc12)N1CCCCC2(CCN(Cc3ccncc3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1	643577761	FUHUDQNFWHAVPE-IZZNHLLZSA-N	550.656	2.715	0	40	KFAB	
CC(C)C[C@H]1C(=O)O[C@@H](C(C)C)C(=O)N[C@H](C(C)C)C(=O)N[C@H](CC(C)C)C(=O)O[C@@H](C(C)C)C(=O)N[C@H](C(C)C)C(=O)N1C	1078028700	VDFMWZBFYMHHDB-PXCGUVFGSA-N	638.847	2.821	0	40	KFAB	
COc1cccc(CN(Cc2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(-n3cnnn3)c(OC)c2)c1	934187	BMLJMKSUQMCDJD-UHFFFAOYSA-N	509.544	2.799	0	40	KFAB	
COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)N4CCN(c5cccc(OC)c5)CC4)ccc3c2=O)cc1	4766481	PMOXFEOPHSNRCA-UHFFFAOYSA-N	500.555	2.718	0	40	KFAB	
Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1	12520833	YCHZWTTVQCEUAM-UHFFFAOYSA-N	507.572	2.985	0	40	KFAB	
CCOC(=O)[C@H]1C(c2ccc(Cl)cc2)[C@@H](C(=O)OCC)[C@@](O)(C(F)(F)F)N[C@@]1(O)C(F)(F)F	16682654	ZVQCIDVGBSULAA-KYQOMENCSA-N	507.811	2.887	0	40	KFAB	
C[C@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)CN([C@@H](CCC(N)=O)C(=O)O)C3=O	35270925	VGRPJNIVIGBNNK-BPUOFSLQSA-N	514.619	2.974	0	40	KFAB	biogenic,in-vitro
COc1cccc(C[C@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c1OC	100468865	SNDHHHAZAWNEFN-NRFANRHFSA-N	557.591	2.739	0	40	KFAB	
COc1ccccc1[C@H]1c2sc(=O)[nH]c2S[C@@H]2[C@@H]3C[C@H]([C@H]4C(=O)N(CCCC(=O)O)C(=O)[C@H]34)[C@H]12	101175515	XVVGVKNGWMLMJP-WGUHKWFESA-N	500.598	2.783	0	40	KFAB	
Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)OCC(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)c2)cc1	103086310	FJCHXXMQHIIWSB-UHFFFAOYSA-N	587.676	2.637	0	40	KFAB	
COc1ccc(-c2coc3cc(O[C@H]4O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]4OC(C)=O)ccc3c2=O)cc1	170621355	FTCLAIAXKAGMBI-PAVWDGINSA-N	598.557	2.931	0	40	KFAB	
CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	222819192	UYTLAAXZFMIDKO-JOCHJYFZSA-N	535.663	2.810	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1	224233659	ZBHZOLATLPOCGP-UHFFFAOYSA-N	509.631	2.608	0	40	KFAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cn(CC(=O)N4CCOCC4)c4ccccc34)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	409163325	PQMBLSYNAAGVDZ-PEPUGYCWSA-N	657.793	2.934	0	40	KFAB	
Cc1ccccc1OCCN(C)C(=O)[C@@H]1CCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N(C)CCOc2ccccc2C(=O)N1	643579744	CRJRQXQIFWJFQK-NSOVKSMOSA-N	616.715	2.695	0	40	KFAB	
Cc1ccccc1OCCN(C)C(=O)[C@@H]1CCC(=O)N[C@H](CC(C)C)C(=O)N(C)CCOc2ccccc2C(=O)N1	643580671	RQEDKTBOVUXPRG-LOSJGSFVSA-N	566.699	2.793	0	40	KFAB	
CN(C)CCNC(=O)[C@@H]1CCC(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)CCCCCCOc2ccccc2C(=O)N1	1615116437	BPKOFFFUYYVQNS-NSOVKSMOSA-N	593.769	2.724	0	40	KFAB	
COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1	2652393	OLNJVZWYDPLHKZ-UHFFFAOYSA-N	534.594	2.711	0	40	KFAB	
CN(C)c1ccc(C(=O)N2CCN(C(=O)NC3CCCCC3)[C@H](C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(N)=O)C2)cc1	8627215	OGKXXFMDVZKFHC-IZLXSDGUSA-N	587.725	2.615	0	40	KFAB	biogenic,in-vitro
C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](OC(=O)CBr)CC[C@]34C=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1	8788773	HQEHABLFHCPQHP-BWGLVEIYSA-N	525.436	2.844	0	40	KFAB	biogenic
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Cl)c(S(=O)(=O)N4CCCCC4)c3)CC2)cc1	13649548	KJZIHSAWJGLQRH-UHFFFAOYSA-N	526.080	2.970	0	40	KFAB	
O=C(Cc1ccccc1)N[C@@H]1C(=O)N2[C@H](C(=O)OC(c3ccccc3)c3ccccc3)[C@H](O)CS[C@@H]12	21986010	JSNDVKXNQUBARH-LLUKFRMWSA-N	502.592	2.691	0	40	KFAB	
Cc1cc(-c2c(-c3ccco3)nn(CC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)c(=O)c2CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)on1	100490801	MJJDWZQMTAINNL-UHFFFAOYSA-N	621.570	2.626	0	40	KFAB	
Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1S(=O)(=O)N1CCCCCC1	102593390	CBAGRQMCLOHHON-UHFFFAOYSA-N	551.687	2.598	0	40	KFAB	
CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	222819344	RRDQOFIPMZESHZ-JOCHJYFZSA-N	535.663	2.810	0	40	KFAB	
CCc1cccc(C)c1NC(=O)COc1ccc(N2C[C@@H](C(=O)NCCCN3CCOCC3)CC2=O)cc1	408580975	SDMKPHGWTZQJNO-QHCPKHFHSA-N	522.646	2.766	0	40	KFAB	
CN(Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1)S(C)(=O)=O	408703699	XCSSCRQALFHEIM-UHFFFAOYSA-N	509.650	2.660	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccs3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409039936	RNFHFQUIRZDWRH-BXDIUNCMSA-N	542.635	2.810	0	40	KFAB	
Cc1noc(C)c1C(=O)N1CCCCC2(CCN(Cc3ccccc3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1	643577977	KDDACYOWIYCYRJ-BJKOFHAPSA-N	513.635	2.855	0	40	KFAB	
Cc1cc(C(=O)OCC(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c2ccccc2n1	12867014	QDYLYZBNYJCKGL-UHFFFAOYSA-N	515.570	2.870	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(CCCN(CC(=O)OCl)S(=O)(=O)c2ccc(C)cc2)CC(=O)OCl)cc1	68604898	LZKKQJRYNZIJGZ-UHFFFAOYSA-N	567.469	2.769	0	40	KFAB	
CCCCCCOc1ccc(N2C(=O)C[C@H](N(CCc3ccc(S(N)(=O)=O)cc3)C(=O)/C=C/C(=O)O)C2=O)cc1	100172368	FRQGREBQWRVUHT-ZXYASIKESA-N	571.652	2.637	0	40	KFAB	
COc1ccc(CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@H](C(=O)NC[C@@H]2CCCO2)c2nc3ccccc3n2C)cc1	100378084	GCSMCNYCKCBNCZ-IADCTJSHSA-N	631.711	2.792	0	40	KFAB	
O=C(COC(=O)/C=C\c1cn(-c2ccccc2)nc1-c1cccnc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1	150651166	RTXRBJXDLWEPDK-FLIBITNWSA-N	658.737	2.987	0	40	KFAB	
CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O	224995486	KYIRGOOSUFRTDN-SFHVURJKSA-N	503.621	2.607	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409035519	PWTTXODZGYHISR-OFCKJYIJSA-N	566.632	2.757	0	40	KFAB	
CC1CCN(CC(=O)N2CCCCNC(=O)c3cc(Cl)ccc3OC[C@H](C(C)C)NC(=O)C2)CC1	643556154	GHVHTAQQUMCGAR-JOCHJYFZSA-N	507.075	2.944	0	40	KFAB	
CO[C@@H]1C[C@H](O[C@H]2CC[C@@]3(C)C(=CC[C@]4(O)[C@@H]3C[C@@H](OC(=O)c3ccc(O)cc3)[C@]3(C)[C@](O)(C(C)=O)CC[C@]43O)C2)O[C@@H](C)[C@H]1O	2061000626	BBHWWOFPWSEYTP-KTYQPLLJSA-N	644.758	2.936	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@H]1c1cccs1	635021	AWUJQOHTFHUCKE-SQWSFHKJSA-N	500.598	2.886	0	40	KFAB	
O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	2645015	UTYHEQHDXOMWKF-UHFFFAOYSA-N	514.917	2.545	0	40	KFAB	
CCOCCCN(C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccc(F)cc1	6600132	KDAFWEVEVOUTAR-WNCULLNHSA-N	584.649	2.788	0	40	KFAB	
CC(=O)Oc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4cccc(Br)c4)C(=O)[C@H]3[C@@H]3C=CC=NN32)cc1	15987341	LOCPYPYMRKFPJL-XSDIEEQYSA-N	508.328	2.971	0	40	KFAB	
COc1cccc(N(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(=O)(=O)c2cc(C)ccc2OC)c1	59838054	FUNJMLVYMGLBSB-UHFFFAOYSA-N	603.719	2.545	0	40	KFAB	
CCCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@H](C)C4)cc3)c2C(=O)NC)C1	97963856	QBCHOPWYCMQXIA-CALCHBBNSA-N	534.704	2.926	0	40	KFAB	
Cc1ccccc1CCN(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccc(F)cc1	100284336	AGYIEYRHGLMCQU-REWPJTCUSA-N	539.633	2.993	0	40	KFAB	
COc1ccc(NC(=O)Cn2c(=O)n(Cc3nc(-c4ccccc4)no3)c(=O)c3cc4c(cc32)OCO4)cc1	102089418	FULLBXAKZGJCQJ-UHFFFAOYSA-N	527.493	2.638	0	40	KFAB	
CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)OCC(=O)Nc1cccc(S(N)(=O)=O)c1	103060080	DEPGWHSCTMTGEF-QGZVFWFLSA-N	534.443	2.674	0	40	KFAB	
COc1cccc(CN(C(=O)CCN2C(=O)c3ccccc3S2(=O)=O)[C@H](C)C(=O)NC(C)(C)C)c1	223053568	MNBBNJIHOUPYML-QGZVFWFLSA-N	501.605	2.562	0	40	KFAB	
CCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225379110	FYXRSUPFRCFWES-QFIPXVFZSA-N	533.647	2.566	0	40	KFAB	
C[C@@H](NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1)c1ccc(S(C)(=O)=O)cc1	260915078	CKGBSGGPSMCVLA-UZUQRXQVSA-N	500.598	2.924	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCC(=O)O)c(OC)c3)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1	408832353	YDWIXGONZFCSKJ-JNRZQUBYSA-N	724.526	2.901	0	40	KFAB	
CCn1c(CCC(=O)N2CCC3(CCCCOCCCNC(=O)[C@H](C)NC3=O)CC2)nc2ccccc21	643564101	HYSFWHLKFQDTNS-NRFANRHFSA-N	511.667	2.809	0	40	KFAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCc2cccc(CN3CCOCC3)c2)CC(=O)N(Cc2ccccc2)CC1=O	643570475	GTPYMSXKSUJIAX-HKBQPEDESA-N	641.769	2.593	0	40	KFAB	
CCN(CC)C(=O)CN1C(=O)[C@]2(N[C@H](CC(C)C)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)c2ccccc21	2192229	HNCICGFNJFYBRP-SHJMPOBASA-N	516.642	2.916	0	40	KFAB	
CC(=O)OC[C@H]1O[C@H](Oc2ccc3c(=O)c(-c4csc(C)n4)c(C)oc3c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	70665809	MPYSQDHQADOJMQ-WZJDRPDSSA-N	603.602	2.995	0	40	KFAB	biogenic
CCOCCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)sc2cc(S(N)(=O)=O)ccc21	100873638	ALSLIYCLFSRPPP-LCUIJRPUSA-N	566.727	2.548	0	40	KFAB	
COc1ccc(CCNC(=O)c2ccccc2NS(=O)(=O)c2cc3c(cc2C)n(C)c(=O)n3C)cc1OC	102451047	HEODFACLHIWZMK-UHFFFAOYSA-N	538.626	2.976	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCC(N(C)C)CC4)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	105498130	IGOZQEDLRUFNGA-VEOZPNHKSA-N	580.707	2.939	0	40	KFAB	
COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(F)cc3)S(=O)(=O)N(C)C)cc2)c1	113516178	UHJOCQPHAKXPSF-UHFFFAOYSA-N	566.633	2.895	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c2ccccc2)cc1OC	113635141	FGQNALRKTBCBNE-UHFFFAOYSA-N	573.693	2.741	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CCCN(c1ccccc1F)S(C)(=O)=O	222570702	JHQNYHDOYRALHX-UHFFFAOYSA-N	513.613	2.804	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(S(=O)(=O)NC)ccc3C)C2)cc1C	222591461	JTDLEDBOFDIECQ-GOSISDBHSA-N	509.650	2.650	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	222748649	BTZDKDJRXJWGEX-AWEZNQCLSA-N	532.446	2.940	0	40	KFAB	
COc1ccc(CN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)[C@@H](C)C(=O)NCc2ccccn2)cc1	222938055	UNIVJKBCZJAMJQ-NRFANRHFSA-N	524.643	2.586	0	40	KFAB	
C[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	223119807	VMNGVCAQNBQIPY-IBGZPJMESA-N	506.644	2.813	0	40	KFAB	
COc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)cc1OC	224122566	MQQOQTQRBANGJB-FQEVSTJZSA-N	519.664	2.968	0	40	KFAB	
O=C(Nc1nnc(S(=O)(=O)NCc2ccccc2CN2CCOCC2)s1)c1ccccc1Cl	225237397	CQLJKYMQIUJDKF-UHFFFAOYSA-N	508.025	2.755	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(OC)c(S(=O)(=O)N4CCCCC4)c3)CC2)cc1	225498241	YDEIBZCIQKJTQN-UHFFFAOYSA-N	551.687	2.918	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccncc3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1	409088691	GMDIPONDTDSBGU-OBXYEHHASA-N	514.401	2.964	0	40	KFAB	
COc1ccccc1N(CC(=O)Nc1cccc(N(C)S(C)(=O)=O)c1)S(=O)(=O)c1ccccc1	409129892	LDAOTTIYYAIUQD-UHFFFAOYSA-N	503.602	2.925	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(CC(=O)N4CCOCC4)c4ccccc34)c(=O)n2[C@@H]1c1cccc(OC)c1	409171297	ZPPCEADSDYBSBW-RGDUZTMSSA-N	600.697	2.620	0	40	KFAB	
COc1cc(CN2CCN(C(C)=O)C[C@](O)(COc3ccc(F)cc3)C2)ccc1OCCCn1ccnc1	585280747	SBABQZSMOAHDEV-NDEPHWFRSA-N	526.609	2.974	0	40	KFAB	
COc1ccc(C(=O)N2CCO[C@@](COc3cccc(Cl)c3)(CC(=O)N3CCN(C)CC3)C2)cc1OC	2037905311	FFNBXIWWHLKHFL-MHZLTWQESA-N	532.037	2.812	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@H](C(=O)NC(C)(C)C)c3ccc(F)cc3)n2)cc1OC	6074883	MRZVECXFESVECI-MHZLTWQESA-N	597.692	2.703	0	40	KFAB	
CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1	13114284	CLWQDXHCMHXHCE-UHFFFAOYSA-N	515.613	2.785	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(CNC(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1	20032599	QACOIZRMRIPSOD-UHFFFAOYSA-N	521.592	2.572	0	40	KFAB	
O=C(NC[C@@H]1CCCO1)[C@@H](c1ccco1)N(Cc1ccc(F)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	33356876	LAWFSAQGLPPLSE-NBGIEHNGSA-N	555.584	2.629	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@H](Oc2cc3oc(=O)c4c(c3cc2Cl)CCCC4)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	72332858	MSFMMJSYVUWAEJ-DKLFHUDLSA-N	580.970	2.787	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CN(S(=O)(=O)c2ccccc2)c2cc(Cl)ccc2O1	224477364	HQHGQMCROOSJBN-AREMUKBSSA-N	622.121	2.512	0	40	KFAB	
CCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	225372583	BNYYRNUGGMPNKD-QFIPXVFZSA-N	535.663	2.812	0	40	KFAB	
CCc1nccn1CC(=O)N1CC[C@H](Oc2cccc(Br)c2)[C@@H](CC(=O)N2CCOCC2)C1	257210600	BVIFLMUPTKMIOW-RXVVDRJESA-N	519.440	2.753	0	40	KFAB	
CCc1noc(CCC(=O)N2CC[C@H](Oc3ccc(Cl)cc3)[C@@H](CC(=O)N3CCN(C)CC3)C2)n1	257314445	UWZIDGAZQPIGBT-RXVVDRJESA-N	504.031	2.678	0	40	KFAB	
Cc1csc(CCCNC(=O)[C@@H]2CCC(=O)N[C@@H](Cc3ccccc3)C(=O)NCCCOc3ccccc3C(=O)N2)n1	643567199	UOXHDGRRPDFICW-DQEYMECFSA-N	591.734	2.705	0	40	KFAB	
COc1cc([C@@H](C(=O)NC2CCCC2)N(Cc2ccccc2)C(=O)c2snc(C(N)=O)c2N)ccc1O	6906701	BFTHSPMYIUQBEU-QFIPXVFZSA-N	523.615	2.981	0	40	KFAB	
COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(OC)cc2)cc1	7059062	VGDFQLJTRJMZHT-KNQAVFIVSA-N	539.614	2.525	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)OC)cc3)c(=O)n2[C@H]1c1ccc(C)cc1	8454174	FAUPKXWBCBEVSZ-ZBXXMNEPSA-N	506.580	2.659	0	40	KFAB	
COc1ccc(CCN2C(=O)N[C@](NC(=O)c3cc(OC)c(OC)c(OC)c3)(C(F)(F)F)C2=O)cc1	9281470	QFMCAJMSUAVNEC-QFIPXVFZSA-N	511.453	2.504	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(c3ccccc3OC)[C@H](C)C(=O)NC3CCCC3)n2)cc1OC	12701583	OJKSYOHAAIEINK-QGZVFWFLSA-N	508.579	2.846	0	40	KFAB	
COC(=O)c1cc(NC(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc(C(=O)OC)c1	16194009	WODLBZMDIYKUTP-UHFFFAOYSA-N	504.561	2.888	0	40	KFAB	
CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)c(C)c2)cc1	59852112	YQVXCPKEFWEGFZ-UHFFFAOYSA-N	603.719	2.911	0	40	KFAB	
CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCN(S(=O)(=O)c4ccccc4Cl)CC3)C2=O)cc1	96019699	GKPPLNCOBRXTPM-AREMUKBSSA-N	547.077	2.938	0	40	KFAB	
C[C@]12C=C[C@]3(O1)[C@@H](C(=O)NC1CCCCC1)N(C[C@@H]1CCCO1)C(=O)[C@@H]3[C@@H]2C(=O)NCc1cccs1	100431911	UFBZYNGEHDMXAQ-XSDSUJMHSA-N	513.660	2.533	0	40	KFAB	
CC(C)(C)OC(=O)CN1CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CC1	137610368	DWYNJWTYDHZUQY-UHFFFAOYSA-N	628.852	2.575	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	223546286	ONQWFKDOPFXFRA-NRFANRHFSA-N	531.675	2.990	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223633846	SGIPRHFURXLVKA-FQEVSTJZSA-N	517.648	2.866	0	40	KFAB	
CC[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O	224316194	UIGDQWYNYREBPN-QFIPXVFZSA-N	544.095	2.864	0	40	KFAB	
CC[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)N(c1ccc(C)cc1)S(C)(=O)=O	224316319	XHWIGYUHNJANLO-QHCPKHFHSA-N	523.677	2.519	0	40	KFAB	
COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1S(=O)(=O)N1CCCCC1	225509835	OYKNVLZSOFODMD-LJQANCHMSA-N	521.661	2.909	0	40	KFAB	
C[C@@]12C=C[C@]3(O1)[C@@H](C(=O)NC1CCCCC1)N(C[C@@H]1CCCO1)C(=O)[C@@H]3[C@H]2C(=O)NCc1cccs1	245230537	UFBZYNGEHDMXAQ-PCLLFAKXSA-N	513.660	2.533	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c(OC)c3)c(=O)n2[C@@H]1c1cccc(OC)c1OCC	408905795	DYMQYKSMQQGZGR-XOYGFPHKSA-N	524.595	2.920	0	40	KFAB	
CCOC(=O)COc1c(I)cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1OCC	409145407	HZRXFFRERLEVKN-GZTJUZNOSA-N	604.419	2.527	0	40	KFAB	
Cc1cc(OC[C@]2(CC(=O)N3CCC(O)CC3)CCCN(C(=O)CN3CCN(C)CC3)C2)cc(C)c1Cl	585288245	ZFOUXMSDANGZDX-NDEPHWFRSA-N	535.129	2.565	0	40	KFAB	
CO[C@@H]1CN(C(=O)c2ccccc2F)C[C@@H](CC(C)C)N(C(=O)CNC[C@@H](Cc2ccccc2)N(C)C)CCCCOC[C@@H](O)[C@H]1O	643586688	OUJOPZQLIDCHLP-GDPIVQNESA-N	658.856	2.821	0	40	KFAB	
COCCNC(=O)[C@@H]1CCC(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)CCCCCCOc2ccccc2C(=O)N1	1615159611	NYIXURZIIYLXID-SVBPBHIXSA-N	580.726	2.809	0	40	KFAB	
CN(Cc1ccccc1)C(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl	3234652	XOZYBFPPFFJOEJ-UHFFFAOYSA-N	501.388	2.830	0	40	KFAB	
COc1ccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3cccc4ccccc34)CC2)cc1	13565651	VNUDDLBBZTVALF-RUZDIDTESA-N	509.628	2.865	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@@H](SCCOc2ccc(Br)cc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	33355113	ZDUHEZBXPHVNCZ-WIYBCGNWSA-N	563.419	2.644	0	40	KFAB	
O=C(c1ccc(N2CCCS2(=O)=O)cc1)N1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1	96021442	NNIOLQUHKNPAKV-UHFFFAOYSA-N	562.895	2.789	0	40	KFAB	
CCC[C@H](C(=O)NC1CCCCC1)N(CCCN1CCOCC1)C(=O)C[S@](=O)CC(=O)Nc1ccc(C)cc1	100331184	YBGQAVUONAYUOD-DZUVLVPSSA-N	562.777	2.851	0	40	KFAB	
COc1ccc(S(=O)(=O)N(c2ccc(N3CCN(C)CC3)c3nonc23)S(=O)(=O)c2ccc(OC)cc2)cc1	102371159	HSOYQJOMARAVKX-UHFFFAOYSA-N	573.653	2.576	0	40	KFAB	
CCN(C(=O)CSc1nnc2c3ccccc3n(CC)c2n1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	103117986	AONBFLVZWOXKDL-UHFFFAOYSA-N	530.614	2.625	0	40	KFAB	
Cc1ccc(C)c(-n2nnnc2SCC(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1	103131198	GCPCKQILRSWCJR-UHFFFAOYSA-N	544.659	2.728	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)N1CCN(C/C=C/c2ccccc2)CC1	223914569	LUEPASIEIWRRLT-VMPITWQZSA-N	513.660	2.506	0	40	KFAB	
CS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(F)c(Cl)c1	224374377	BUGDPPPUNSTTEK-UHFFFAOYSA-N	548.058	2.615	0	40	KFAB	
CC(C)[C@@H]1CCC(CO)=C[C@@H]1/C=C(\CO)C(=O)OC[C@]1(O)CC[C@H](C(C)C)[C@@H]2C=C(C(=O)O)COC(=O)[C@H]21	253389572	RCOCBDNPQGVEDL-RMDUTDBZSA-N	534.646	2.647	0	40	KFAB	biogenic,in-vitro
COc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c(OC)c1	260797245	PBKPBGHPLCRBPU-QGZVFWFLSA-N	523.627	2.941	0	40	KFAB	
CCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1	408690448	VJPYQMYUCWSCJU-FJFAMUBHSA-N	518.566	2.987	0	40	KFAB	
COCCN1CCN(C(=O)[C@@H]2CCC(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)[C@H](Cc3ccccc3)COc3ccccc3C(=O)N2)CC1	643569673	POYOEYUBBMIZHI-JXFVGPSASA-N	669.823	2.545	0	40	KFAB	
CCOc1ccc(CCCNC(=O)[C@@H]2CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C)COc3ccccc3C(=O)N2)cc1OC	643572788	IHYUBSYXNSUSNR-MBBGRUDASA-N	695.858	2.900	0	40	KFAB	
CCOc1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)N4CCN(C(=O)c5ccco5)CC4)cc3C2=O)cc1	3294000	CRXSFHWSRYBFIP-UHFFFAOYSA-N	531.521	2.620	0	40	KFAB	
COC(=O)C1=C(C(=O)c2ccc(Br)cc2)[C@@H](c2ccc(OC)cc2OC)n2nnnc2N1	10232011	WXKIRVIKHIETEI-GOSISDBHSA-N	500.309	2.778	0	40	KFAB	
COc1ccc(-c2nc(SCC(=O)Nc3ccc(C(C)=O)cc3)c3c(=O)n(C)c(=O)n(C)c3n2)cc1	11758150	HHISYBQLNLPYOV-UHFFFAOYSA-N	505.556	2.636	0	40	KFAB	
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1	12546802	PEVKADZKNFFDGC-UHFFFAOYSA-N	519.620	2.594	0	40	KFAB	
COc1cccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c1	13565613	QEFNAVWPWHTWIC-JOCHJYFZSA-N	527.565	2.731	0	40	KFAB	
Cc1cccc2c1NC(=O)[C@]21N[C@@H](Cc2ccc(O)cc2)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21	15969365	UBEYPJWMLZAJLZ-WENIATCFSA-N	511.534	2.593	0	40	KFAB	biogenic
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cc(Cl)ccc3C)S(C)(=O)=O)cc2)n1	59852849	HFBIFBGXDAJXLS-UHFFFAOYSA-N	524.024	2.952	0	40	KFAB	
C[C@]1(C(=O)O)C[C@@H](O)[C@H](CC(=O)/C=C\c2ccc(O)c(O)c2)[C@H](OC(=O)/C=C\c2ccc(O)c(O)c2)C1	95630326	VQOCGEDVOQRNED-RDJSAJBDSA-N	512.511	2.968	0	40	KFAB	
COc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2-c2ccccc2)cc1	97985078	PNBSKZSWSFPSAL-UHFFFAOYSA-N	622.729	2.958	0	40	KFAB	
Cn1cc(C(=O)N2CCN(c3ccccc3F)CC2)c(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)n1	102920216	HIWQMHWEVJDJCB-UHFFFAOYSA-N	547.056	2.686	0	40	KFAB	
CCOC(=O)C1CCN(C(=O)COC(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)CC1	103070711	VEBYTMWEDHQLET-UHFFFAOYSA-N	535.446	2.739	0	40	KFAB	
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	211008428	NGMYNFJANBHLKA-ZHSUUFGVSA-N	514.527	2.595	0	40	KFAB	biogenic
Cc1cccc(CN(C(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)c1	222731233	QIGPDABSFBHJPL-SFHVURJKSA-N	503.621	2.822	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	223066991	KNWMKCYAPAFOQH-MRXNPFEDSA-N	554.463	2.887	0	40	KFAB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N(C)Cc2nc(-c3cccc(Br)c3)no2)cc1OC	225143691	TWXXLJIOJADIRU-UHFFFAOYSA-N	539.408	2.795	0	40	KFAB	
COC(=O)c1cc(OC)c(OC)cc1NC(=O)COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1	408620959	KNLADTWLEDQSSM-UHFFFAOYSA-N	506.577	2.929	0	40	KFAB	
COc1cc(OC)cc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3ccc(Br)c(Cl)c3)CC2=O)c1	408661491	WBENGTCEFBDMFA-CYBMUJFWSA-N	554.781	2.795	0	40	KFAB	
CCOC(=O)COc1ccc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)cc1I	409064718	DTARPKTWZYEREK-WWNSAXIVSA-N	519.313	2.831	0	40	KFAB	
CCc1noc(CCC(=O)N2CCCCN(C)C(=O)[C@H](CCCN(C)C(C)=O)N(C)C(=O)c3ccccc3OCCC2)n1	643560261	HUITWUHVIGOQFU-VWLOTQADSA-N	598.745	2.814	0	40	KFAB	
CC(C)c1ccc2c(c1)OCCC1(CCN(C(=O)NCc3ccccc3)CC1)NC(=O)[C@@H]1C[C@@H](O)CN1S2(=O)=O	1548888780	ADLLZBWWZZKKGH-RPWUZVMVSA-N	570.712	2.577	0	40	KFAB	
CCCn1c(CCC(=O)NCc2cccc(OC)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	12535017	JZWLKFWURRGWNQ-UHFFFAOYSA-N	500.621	2.725	0	40	KFAB	
O=C(COC(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1)N[C@H]1CCS(=O)(=O)C1	12541916	QMPOUESOTVKPJE-KRWDZBQOSA-N	508.021	2.677	0	40	KFAB	
COCCN(CC(=O)Nc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C)cc1	13496941	GRJOQYJANYNCFS-WMZHIEFXSA-N	523.677	2.819	0	40	KFAB	
O=c1[nH]c2cc3c(cc2cc1CN(CCCN1CCOCC1)C(=S)NCCc1ccccc1)OCCO3	19940542	VVBHVRFDOAKBDG-UHFFFAOYSA-N	522.671	2.941	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(CNC(=O)CCc2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1	20032982	LELCBGCSEPQBPP-UHFFFAOYSA-N	515.657	2.664	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC(=O)CN1C(=O)N[C@]2(C[C@H](C)CC(C)(C)C2)C1=O	95567791	YTUHNNRCUNSYIW-CLYVBNDRSA-N	562.689	2.788	0	40	KFAB	
CN(C)S(=O)(=O)c1cccc(NC(=S)NC2CCC(NC(=S)Nc3cccc(S(=O)(=O)N(C)C)c3)CC2)c1	97981364	RUUOAJNOFJSIOT-UHFFFAOYSA-N	598.842	2.771	0	40	KFAB	
O=C(Nc1nc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2)cs1)c1ccc(S(=O)(=O)N2CCOCC2)cc1	97985027	KERKGLXEKPUREL-UHFFFAOYSA-N	704.834	2.813	0	40	KFAB	
CCN(CC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(NC(C)=O)ccc3n2CC(=O)OC)cc1	100876884	UTMLDVFXKQGLBS-BZZOAKBMSA-N	518.617	2.606	0	40	KFAB	
CCOC(=O)Cn1/c(=N/C(=O)COc2ccc(Cl)cc2Cl)sc2cc(S(N)(=O)=O)ccc21	100877566	PAPMIXUCNQGQKC-NMWGTECJSA-N	518.400	2.726	0	40	KFAB	
CC(C)CN(C(=O)CN(C)C(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	103038432	VEMPSVOXHYVFLD-OAHLLOKOSA-N	542.464	2.997	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccccc1OC)S(C)(=O)=O	222517433	HXTONRAQONFFQS-XMMPIXPASA-N	527.618	2.986	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	222662188	GVTFENTXNCZKAW-CYBMUJFWSA-N	516.403	2.651	0	40	KFAB	
COCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1	222734209	YRITYMKNSZCLDS-FQEVSTJZSA-N	501.649	2.630	0	40	KFAB	
COc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1	223036455	ONMINOFPRRZOJQ-SFHVURJKSA-N	505.637	2.802	0	40	KFAB	
C[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O	224254210	KQYPVWYTJOJZJU-CQSZACIVSA-N	538.475	2.593	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O	261040259	YNJJQJKIBYNNTJ-OALUTQOASA-N	505.637	2.802	0	40	KFAB	
CCOc1cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)cc(I)c1OCC(=O)OC	409073978	OQCNIERBVWBUNJ-CEITULEQSA-N	549.339	2.840	0	40	KFAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(O)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	409107461	QBPHOARZDJGOCK-ZDGAQAAHSA-N	537.638	2.835	0	40	KFAB	
COc1cc([C@@H](CC(=O)NCc2c3c(c(OC)c4c2OCO4)CN(C)CC3)c2oc(C)cc(=O)c2O)ccc1O	604404155	KETRIXRSPNMILX-GOSISDBHSA-N	552.580	2.932	0	40	KFAB	biogenic
COc1cccc(CCCNC(=O)[C@@H]2CCC(=O)N[C@@H](CC(C)C)C(=O)N(C)CCOc3ccccc3C(=O)N2)c1	643569391	SHZZMAUJPKDVTL-UIOOFZCWSA-N	566.699	2.705	0	40	KFAB	
CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4C[C@H]5C[C@@H](C4)c4cccc(=O)n4C5)ccc3OCC)nc12	2126313	STQIWWNMIGLZGK-MSOLQXFVSA-N	564.668	2.645	0	40	KFAB	biogenic
Cn1c(=O)c2c(nc(SCC(=O)Nc3ccccc3C(=O)O)n2Cc2ccccc2Cl)n(C)c1=O	3627117	LCNOOTJUQZOFFX-UHFFFAOYSA-N	513.963	2.564	0	40	KFAB	
CCCCn1c(CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	6095170	MKCUOTMCSUTXNW-AVRWGWEMSA-N	517.652	2.858	0	40	KFAB	
CCOC(=O)c1ccc(N2C(=O)C=C(NC3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)C2=O)cc1	8771791	DQEOVWZPWAQQKI-UHFFFAOYSA-N	517.991	2.717	0	40	KFAB	
O=C(NCC(=O)N(Cc1ccc2c(c1)OCO2)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccccc1)c1ccco1	12485681	CDBQEQQWTPAVCL-LVXARBLLSA-N	519.554	2.803	0	40	KFAB	
CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)/C=C/c1ccc(C)o1	12546090	CFLMRVPYPLIFMM-DHZHZOJOSA-N	505.593	2.650	0	40	KFAB	
O=C(NCCN1CCN(C(=O)c2cccc(Br)c2)CC1)C(=O)Nc1ccc(Br)cc1	38144962	BRMXVFMIQGPMCX-UHFFFAOYSA-N	538.240	2.724	0	40	KFAB	
COc1ccc(NC(=O)c2cn(C)nc2S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)cc1OC	67338114	DHQVJDSXBTZPGG-UHFFFAOYSA-N	513.620	2.817	0	40	KFAB	
COc1ccc(N(CC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)S(=O)(=O)c2ccccc2)cc1	100089277	AWBAFMKPMHUMKC-UHFFFAOYSA-N	543.667	2.732	0	40	KFAB	
CCOC(=O)c1ccccc1NC(=O)Cn1c(=O)n(CC(=O)NC2CCCC2)c(=O)c2oc3ccccc3c21	101354079	DJSVZLNLZMSBNS-UHFFFAOYSA-N	532.553	2.784	0	40	KFAB	
Cc1ccc(N2C[C@H](C(=O)OCC(=O)N3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)CC2=O)cc1	103057506	OEINRBQURQKPQL-HSZRJFAPSA-N	535.622	2.577	0	40	KFAB	
CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OC)n2c(s/c(=C\c3ccc(N4CCN(C)CC4)o3)c2=O)=N1	103708784	OEWUZHLXJBVKDD-JNWJWRTLSA-N	550.681	2.932	0	40	KFAB	
COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)N(C)Cc2cc(OC)c(OC)c(OC)c2)CC1	222619361	NCTBTANYFSQXJJ-UHFFFAOYSA-N	510.584	2.919	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O	223439811	MXOZMGURBWRTKY-IBGZPJMESA-N	505.637	2.803	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1	224202751	JKSZAIVVRPVCTG-UHFFFAOYSA-N	552.074	2.981	0	40	KFAB	
Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1C	224452893	OYANAXIINQDIIB-UHFFFAOYSA-N	573.693	2.934	0	40	KFAB	
CNS(=O)(=O)c1ccc(C)c(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(Cl)c3)CC2)c1	226080271	IRCLEBBKBHOWKQ-UHFFFAOYSA-N	516.041	2.605	0	40	KFAB	
COc1ccccc1[C@@H]1c2sc(=O)[nH]c2S[C@@H]2[C@H]3C[C@@H]([C@@H]4C(=O)N(CCCC(=O)O)C(=O)[C@@H]43)[C@@H]12	245229435	XVVGVKNGWMLMJP-SXLGDUGKSA-N	500.598	2.783	0	40	KFAB	
COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(C/C=C/c4ccccc4)CC3)C2)c1	408588625	DLUXSHYEIFFCKE-LNLBBOMNSA-N	513.660	2.962	0	40	KFAB	
CC(=O)Nc1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1	408686383	MZTFHDUWXAXRCE-DWBCCHGXSA-N	501.539	2.545	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OCCCn3ccnc3)c(OC)c2)C[C@@](O)(COc2cc(F)cc(F)c2)C1	585275149	YIGLSFKTDGUSIR-LJAQVGFWSA-N	574.625	2.740	0	40	KFAB	
CCn1c(=O)n(CC)c2cc(NC(=O)CN3CCO[C@@]4(CCCCc5ccccc5OCCNC4=O)C3)ccc21	643554664	NHDRJMBZBXYILN-PMERELPUSA-N	549.672	2.774	0	40	KFAB	
CC(C)[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCOc2ccc(F)cc2)CCC(=O)NC2(CCCC2)C(=O)N1	643577937	KDHHOVUVGQSZPQ-LOSJGSFVSA-N	582.673	2.862	0	40	KFAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N(C)CCOc2ccccc2OC)CC(=O)N[C@H](Cc2ccccc2)C1=O	643579326	YOGUWWWIZMRBRY-SXOMAYOGSA-N	616.715	2.690	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccnn3CC)c(=O)n2[C@H]1c1ccc(Br)cc1	2788243	ALNUFHZRPQPTGB-WPNIOXTASA-N	501.406	2.777	0	40	KFAB	
Cc1c(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)c2)c(=O)n(-c2ccccc2)n1C	3304916	OXFGSZPTKPMECB-UHFFFAOYSA-N	532.582	2.731	0	40	KFAB	
CC[C@@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)C[C@@H]2CCCO2)cc1	8671349	RYOGQSCHULUCMJ-QUCCMNQESA-N	509.650	2.572	0	40	KFAB	
Cc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2C(F)(F)F)cc1S(=O)(=O)N1CCOCC1	8692567	UZACIWIZHXODOX-IBGZPJMESA-N	561.604	2.827	0	40	KFAB	
COc1cc(OC)c(NS(=O)(=O)c2cccc(C(=O)OCC(=O)NC[C@@H]3CCCO3)c2)cc1Cl	12599514	GMFLEMKYMORRBK-HNNXBMFYSA-N	512.968	2.610	0	40	KFAB	
CC(=O)N1CCN(Cn2nc(-c3cccc(S(=O)(=O)N4CCCC4)c3)n(-c3ccccc3)c2=S)CC1	12622967	FBBAKENPKVLKBM-UHFFFAOYSA-N	526.688	2.976	0	40	KFAB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CCC(C(=O)N[C@H](C(=O)O)c3ccccc3)CC2)cc1	12866269	ADAAQRSCRWGURL-ZEQRLZLVSA-N	529.659	2.869	0	40	KFAB	biogenic
COc1cccc(-c2nc(S(=O)(=O)c3ccc4c(c3)OCCO4)c(NCCN3CCOCC3)o2)c1	13722290	JFIRCPLDEPUGQI-UHFFFAOYSA-N	501.561	2.698	0	40	KFAB	
O=C(COC(=O)CCc1c[nH]c2ccccc12)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl	14357816	GZBJJFLBEFOQIM-UHFFFAOYSA-N	505.980	2.957	0	40	KFAB	
COC(=O)c1cc(OC)c(OC)cc1NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1	19935485	KIIRSWZVMNSOAK-UHFFFAOYSA-N	512.968	2.946	0	40	KFAB	
CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(SC)c(C(=O)N3CCOCC3)c2)cc1	26117772	JGSUQERBAYGDIC-UHFFFAOYSA-N	527.690	2.712	0	40	KFAB	
CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(CNS(=O)(=O)c3ccc(NC(C)=O)cc3)cc2)cc1	97945525	YRLZSTFRTPVANS-UHFFFAOYSA-N	530.628	2.560	0	40	KFAB	
CCOC(=O)c1oc2cc(OC[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)ccc2c(=O)c1-c1cscn1	195528874	PVMPTMQZVPQGRW-UCQRENLISA-N	661.638	2.598	0	40	KFAB	
Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)S(C)(=O)=O)c(C)c1	216406620	KXDPEZPMFVMEML-UHFFFAOYSA-N	503.606	2.607	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O	222707795	UBJODRJWZIDUJJ-AWEZNQCLSA-N	502.420	2.931	0	40	KFAB	
CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	224336551	CDZJLKKJYQHJHM-HXUWFJFHSA-N	524.039	2.821	0	40	KFAB	
COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(C/C=C/c4ccccc4)CC3)C2)c1	408588629	DLUXSHYEIFFCKE-PQCQUMGKSA-N	513.660	2.962	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCCC4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	409155935	JIRHREKCVUFQSH-NAIWQIQESA-N	621.712	2.825	0	40	KFAB	
CCOc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)ccc1OCC(=O)N1CCOCC1	409159197	VGRUXNFDQVEVEH-CBPRFPNYSA-N	648.782	2.749	0	40	KFAB	
CC(=O)Nc1cc(C(=O)Nc2cccc(C3=NCCN3)c2)ccc1C(=O)Nc1cccc(C2=NCCN2)c1	1681991	QOGIHRPJAZAGOL-UHFFFAOYSA-N	509.570	2.849	0	40	KFAB	
CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2c3c(nn2-c2ccc(OC)cc2)CS(=O)(=O)C3)cc1	3009456	TXRXSDPIMMGSPU-UHFFFAOYSA-N	518.617	2.592	0	40	KFAB	
CCOC(=O)C1CCN([C@@H](c2cc3ccc(OC)cc3[nH]c2=O)c2nnnn2Cc2ccc(OC)cc2)CC1	6194697	UNSOWAHTGVXNKU-VWLOTQADSA-N	532.601	2.945	0	40	KFAB	
CCOc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(Cc2cccc(OC)c2)C(=O)c2snc(C(N)=O)c2N)cc1	6601444	KIKQSJHJKQDMSI-QPPBQGQZSA-N	567.668	2.910	0	40	KFAB	
CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)NCC2CCC(C(=O)O)CC2)CC1	12870717	YZRKUTTYVWZOQF-WGYUTPKQSA-N	535.707	2.934	0	40	KFAB	biogenic
Cc1cc(C)c(NC(=O)CNC(=O)COC(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c(C)c1	12939376	NZHDVHIBBBKOOI-UHFFFAOYSA-N	529.659	2.928	0	40	KFAB	
CCn1c(=O)c(C(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c(N)n(Cc2ccccc2)c1=O	34850691	KKYVNGPMWDXOPX-UHFFFAOYSA-N	515.536	2.684	0	40	KFAB	
C/C=C(\C)C[C@H](/C=C(\C)[C@H](O)[C@@H](C)/C=C(\C)[C@H](O)[C@@H](C)/C=C/[C@H](O)C/C=C/[C@H](O)[C@H](O)C(=O)O)C(=O)O	38143648	YKAQENKKQWMYFZ-HDSBBLDOSA-N	524.651	2.600	0	40	KFAB	biogenic,in-vitro
COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)c1	38144967	IASZNDLFCYJBJD-NQIIRXRSSA-N	527.578	2.655	0	40	KFAB	
CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(OC)c(OCCOC)c3)CC2)o1	62590049	SLTICYUXPLGLES-UHFFFAOYSA-N	510.565	2.530	0	40	KFAB	
O=C(Nc1nc(=O)c2ncn([C@@H]3O[C@@H](COC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@@H]3O)c2[nH]1)c1ccccc1	104852181	HIJNYMIHLOJOED-FVBUEAAESA-N	595.568	2.713	0	40	KFAB	
C[C@@H](C(=O)NCCCO)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1	222811544	VOKMCUZMANVUIP-SFHVURJKSA-N	522.067	2.629	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1	224465118	NGDVNAXIOJRTMJ-HXUWFJFHSA-N	620.577	2.751	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O	225480531	MGNCKPZKJNSING-CQSZACIVSA-N	500.390	2.518	0	40	KFAB	
COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1	225832802	NOXUKHLUBPZRRM-UHFFFAOYSA-N	539.676	2.700	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	261050271	ZZEYXGWDNIJHIQ-UXHICEINSA-N	517.648	2.864	0	40	KFAB	
O=C(Nc1cccc(F)c1)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	409025839	YDRNJDFQGVUNPF-JOCHJYFZSA-N	503.577	2.528	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C)c4ccc(Br)cc43)c(=O)n2[C@H]1c1ccc(OC)cc1OC	409117439	LWDDZMBMBMAONU-VFJWVMJUSA-N	598.475	2.925	0	40	KFAB	
CC[C@H](C)OCCOCCOC(=O)[C@H](C)OC(=O)OCCOCCOC(=O)O[C@@H](C)C(=O)OCCOCCO[C@H](C)CC	4353212	XJGWOYZOZDTHEY-KIHHCIJBSA-N	626.693	2.836	0	40	KFAB	
COc1ccc(CCN2C(=O)N[C@](NC(=O)c3ccc(OC)c(OC)c3)(C(F)(F)F)C2=O)cc1OC	12371298	RGNXVNIUOBHCHY-QFIPXVFZSA-N	511.453	2.504	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OC	16732789	BIFPIFLIZPBHNY-MGSPXPDISA-N	522.579	2.741	0	40	KFAB	
CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)S(C)(=O)=O	44899837	MKYAFYWTEQGJFF-UHFFFAOYSA-N	504.590	2.686	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1Cl	59838180	OJDFMIBXVHMOOV-MRXNPFEDSA-N	530.068	2.506	0	40	KFAB	
COc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(OC)ccc3OC)cc2)S(C)(=O)=O)c1	59881526	VLKKDHXSHFSDST-UHFFFAOYSA-N	549.627	2.918	0	40	KFAB	
CC(C)NS(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cc1	103032300	LKRCKTXQXVAMFO-UHFFFAOYSA-N	537.660	2.574	0	40	KFAB	
CC(=O)OCC(=O)[C@]1(O)CC[C@H]2[C@@H]3C[C@@H](C)[C@@]4(O)CC5(CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)OCC(C)(C)CO5	118936671	ZLQSMGWGWLVEOS-HODXZAIQSA-N	522.679	2.993	0	40	KFAB	
COC(=O)[C@H]1CN(C(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2Cl)c2ccccc2O1	222825186	GLDSOPPLVQIJTR-OAQYLSRUSA-N	508.980	2.861	0	40	KFAB	
C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223740596	TUUXLIYYUNUTAU-IBGZPJMESA-N	515.632	2.700	0	40	KFAB	
COc1ccc(OC)c(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c1	224291638	MKTFMYOKJLTBFE-SFHVURJKSA-N	523.627	2.798	0	40	KFAB	
Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc2C)cc1	224459430	CWCHOMMYTRTWAZ-UHFFFAOYSA-N	573.693	2.934	0	40	KFAB	
CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225442088	FSWSJMFOFOUUQP-QFIPXVFZSA-N	517.648	2.600	0	40	KFAB	
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@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@@H]4O)C(C)(C)[C@@H]3CC[C@]12C	257493395	NJUXRKMKOFXMRX-YYEACQBESA-N	767.010	2.954	0	40	KFAB	endogenous,in-man
CCOC(=O)C1=C(C)N=c2s/c(=C/[C@H]3C(=O)N(c4ccccc4)N=C3C)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	409022323	JYIMUEXVLZHGMG-WIJHPOSRSA-N	560.632	2.806	0	40	KFAB	
COc1ccc(S(=O)(=O)NCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1OC	409110073	QVWWZXNMHSILFB-UHFFFAOYSA-N	509.628	2.916	0	40	KFAB	
COC(=O)COc1c(Br)cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1OC	409209746	HQUUYPYFTGFENX-LZYBPNLTSA-N	536.310	2.680	0	40	KFAB	
CCn1c(CNC(=O)c2ccc(C)cc2)nnc1SCC(=O)Nc1cccc(C(=O)N2CCOCC2)c1	409354823	BIAOTXMQTPPSOA-UHFFFAOYSA-N	522.631	2.740	0	40	KFAB	
O=S1(=O)C[C@@H](N(Cc2ccccc2)S(=O)(=O)c2cc(Br)ccc2Br)[C@@H](O)C1	575425304	XVFJHCSAPNADLG-CVEARBPZSA-N	539.267	2.560	0	40	KFAB	
COC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H]1CN(C(=O)c2ccc(N(C)C)cc2)CCN1C(=O)c1cccs1	4147947	AWYCIRZOFLJAFX-LOSJGSFVSA-N	578.691	2.690	0	40	KFAB	biogenic,in-vitro
COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(F)cc2)cc1	7059059	GTGPROFXKUSQGC-NQIIRXRSSA-N	527.578	2.655	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(CCO)[C@@H](C(=O)NC3CCCC3)c3ccc(Cl)cc3)n2)cc1	7060520	BVZGQUVBENMWRK-HSZRJFAPSA-N	512.998	2.623	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2)cc1C	59838529	PZLSONQYNNMOCC-UHFFFAOYSA-N	549.715	2.895	0	40	KFAB	
Cc1coc2c(C)c3oc(=O)c(CC(=O)NCC(=O)NCC(=O)N[C@@H](Cc4ccc(Cl)cc4)C(=O)O)c(C)c3cc12	70704916	CYYKUKSEFQOISX-QFIPXVFZSA-N	582.009	2.705	0	40	KFAB	biogenic
NS(=O)(=O)c1cc(C(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)c(NCc2ccco2)cc1Cl	100224358	GSGFCMJGYNNAMR-UHFFFAOYSA-N	521.935	2.759	0	40	KFAB	
CO[C@H](/C=C/CC/C=C/C(=O)O)[C@H](O)[C@H](C)/C=C(\C)[C@H](O)[C@H](C)C(=O)CCCC1CC(=O)NC(=O)C1	105152579	HJCZOTBHYAPUHT-BLCGRJGISA-N	507.624	2.711	0	40	KFAB	biogenic,in-vitro
Cc1ccc(S(=O)(=O)NCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4ccccc4c3)C2)cc1	222552350	FMGFDHCSIKVBOO-QFIPXVFZSA-N	515.657	2.644	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O	223789426	IWPIASBYOGJXKB-HNNXBMFYSA-N	514.417	2.908	0	40	KFAB	
COc1ccc(OC)c([C@@H](C)NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)c1	223953298	JMYBLHTVVVMKFV-CYBMUJFWSA-N	518.373	2.952	0	40	KFAB	
CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	224754243	FLGAPGOBHMOQLR-IBGZPJMESA-N	505.637	2.722	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1ccc(OC)cc1)[C@H](C)C(=O)NCC(C)C)c1ccc2c(c1)OCCO2	260880208	HZOFPGXCLLLUIH-HXUWFJFHSA-N	547.674	2.812	0	40	KFAB	
Cc1ccc(C)c(NC(=O)COc2ccc(N3C[C@H](C(=O)NCCCN4CCOCC4)CC3=O)cc2)c1	408582134	VPSPRHRVWZILGX-JOCHJYFZSA-N	508.619	2.512	0	40	KFAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)cc3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	409096236	JHCKRBCEIWWSOQ-XPCGLTFESA-N	507.612	2.826	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OCCCn3ccnc3C)cc2)C[C@](O)(COc2ccc(F)cc2)C1	585272183	GXZWQKPBPZDZAZ-GDLZYMKVSA-N	540.636	2.900	0	40	KFAB	
COc1cc(CN2CCOC[C@](O)(COc3ccc(F)cc3)C2)ccc1OCCCN1CCCC1=O	585282147	YIGCTOFODTXSTG-MHZLTWQESA-N	502.583	2.868	0	40	KFAB	
CSc1cccc(NC(=O)Cn2c(=O)n(CC(=O)NCCc3ccccc3)c(=O)c3ccccc32)c1	2686575	VOOHERFLIALUFO-UHFFFAOYSA-N	502.596	2.883	0	40	KFAB	
CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)OC(C)(C)C	5461732	DYJGHQWHYDJVBG-MOPGFXCFSA-N	509.669	2.818	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(CCC(C)C)CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	14356533	COXWNKYQFBHGOQ-UHFFFAOYSA-N	523.677	2.691	0	40	KFAB	
NC(=O)c1nsc(C(=O)N(Cc2ccccc2Cl)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(O)cc2)c1N	38145031	ZDUMZIRLKIBJGQ-LAUBAEHRSA-N	544.033	2.862	0	40	KFAB	
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)cc2)n1	38753113	DRDJDEICFNYYIO-UHFFFAOYSA-N	521.646	2.687	0	40	KFAB	
COc1ccc(CCNC(=O)c2ccccc2NC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1OC	60028567	XARQLRHOHFCWTL-VWLOTQADSA-N	539.610	2.842	0	40	KFAB	
CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)sc(C(=O)N(C)C)c1C	72135748	QVQCCWIZQIYCCR-UHFFFAOYSA-N	532.543	2.727	0	40	KFAB	
C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NCCNC(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)cc1	100952458	CGDORPCOIVWEIT-SZPZYZBQSA-N	590.768	2.973	0	40	KFAB	
CC1=C[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2C[C@@H]1n1[nH]c(=O)n(Cc2ccccc2)c1=O	102533789	XIYJHAGDCOPHAY-AQNXPRMDSA-N	509.360	2.846	0	40	KFAB	
CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)OCC(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1	102777928	WQBWICYOIVRUDD-DEOSSOPVSA-N	551.687	2.736	0	40	KFAB	
COc1cc([C@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@H](c6cccs6)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O	204007294	NRUKOCRGYNPUPR-VEUOYOFCSA-N	656.662	2.753	0	40	KFAB	
CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	223203763	IEBBLRKVJWJRKG-XMMPIXPASA-N	519.623	2.916	0	40	KFAB	
CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	224153265	LPOMQDOGIGWMSM-NRFANRHFSA-N	505.637	2.722	0	40	KFAB	
CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	224196882	HXWDAVXFJXUROY-OAQYLSRUSA-N	505.637	2.722	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	225359270	SJPGKURGUWDBIP-RTBURBONSA-N	535.663	2.810	0	40	KFAB	
COc1ccc([C@H](CC(=O)N2C[C@@H](C(=O)NCCc3ccccc3)Oc3ccccc32)NS(C)(=O)=O)cc1	225953590	LVJCGBWJYHNGAC-OZXSUGGESA-N	537.638	2.829	0	40	KFAB	
COCc1cn([C@@H]2CC[C@H]3CCOc4ccccc4C(=O)N4CCN(Cc5ccc(F)cc5)C[C@H]4C(=O)NC[C@H]2O3)nn1	253407554	WPCHUGAFRFBWFL-DXLYGPJMSA-N	592.672	2.578	0	40	KFAB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cccc(OC)c4O)c(=O)n32)cc1OCC	408937479	QTBGGDPDCSSPHP-JFLYLQGUSA-N	510.568	2.530	0	40	KFAB	
COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc(I)c1O	409021529	LUPMWCBJRRESCZ-OVCLIPMQSA-N	507.284	2.845	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1	409154188	NYMCPGMWCVVASB-WWFXOLRUSA-N	612.104	2.698	0	40	KFAB	
COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)ccc1OCC(=O)O	409195412	PSGCQLUZTQWXMH-DJKKODMXSA-N	500.485	2.605	0	40	KFAB	
COc1cc(C(=O)O[C@H](C(=O)NCc2ccccc2)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)O)ccc1OC(C)=O	409386504	LYIVKENNBQRACE-RRPNLBNLSA-N	623.567	2.706	0	40	KFAB	
CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)c(Br)cc1OCC(=O)OC	409400334	OQTDYLJSEXRVJW-CHHVJCJISA-N	537.319	2.872	0	40	KFAB	
CCN1CC(=O)N[C@@H](C(C)C)COc2ccccc2C(=O)N[C@H](C(=O)NCCCc2ccccc2)CCC1=O	643579346	UAJYJWCFVVRKDP-LOSJGSFVSA-N	536.673	2.696	0	40	KFAB	
CO[C@@]1(COc2cccc(Cl)c2)COCCN(Cc2ccc(OCCCN3CC(=O)NC3=O)cc2)C1	2037928480	UPTDXYPTLFYGFQ-AREMUKBSSA-N	518.010	2.957	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OC)c(OCCn3ccnc3C)c2)C[C@@](O)(COc2ccc(F)cc2)C1	2037931617	BYNJPYQKSRCLMS-LJAQVGFWSA-N	556.635	2.519	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OC)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1	2177313	GCMADUSEPXWWKK-CVGPFBNFSA-N	554.621	2.841	0	40	KFAB	
CSCC[C@H](C(=O)O[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)N1C(=O)c2ccccc2C1=O	3309161	DTZMRMKOQITDCN-LAUBAEHRSA-N	536.610	2.773	0	40	KFAB	
CC(=O)c1cccc(S(=O)(=O)N2CCC[C@H](c3nc(O)c4nnn(Cc5ccc(F)cc5)c4n3)C2)c1	6161899	FFYOTDOPRNBWNE-SFHVURJKSA-N	510.551	2.885	0	40	KFAB	
COc1cccc(CN[C@@H]2CC(=O)N(c3ccc(N4C(=O)C[C@@H](NCc5cccc(OC)c5OC)C4=O)cc3)C2=O)c1OC	8412237	NQKQKFIAUROWOV-DNQXCXABSA-N	602.644	2.564	0	40	KFAB	
CCc1nnc(NS(=O)(=O)c2ccc(NC(=S)N3C[C@H]4C[C@H](C3)c3cccc(=O)n3C4)cc2)s1	102942269	GPHLENMXGCVMEY-HUUCEWRRSA-N	516.674	2.879	0	40	KFAB	biogenic
CNS(=O)(=O)c1ccc(C)c(NC(=O)c2ccc(OC)c(S(=O)(=O)NCCc3ccccc3)c2)c1	222930814	VFEOWRAEKAAEAI-UHFFFAOYSA-N	517.629	2.685	0	40	KFAB	
Cc1ccc(N(CCCC(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)cc1	224404400	YZZFOQZTBJXOLB-UHFFFAOYSA-N	537.704	2.911	0	40	KFAB	
CCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1OCC)S(C)(=O)=O	224568863	LGCLDRAIGAMLME-NRFANRHFSA-N	505.637	2.803	0	40	KFAB	
CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	224754346	UYIDXFHMKQYIIL-IBGZPJMESA-N	505.637	2.722	0	40	KFAB	
CCN(CC(=O)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)S(=O)(=O)c1ccc(Br)cc1	226073387	PXIHPRJRZMDJDK-UHFFFAOYSA-N	558.520	2.603	0	40	KFAB	
COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)c(C)c2)C1	408589817	GACASBCZOAJGFP-INIZCTEOSA-N	506.577	2.847	0	40	KFAB	
COc1cccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2cccc(OC)c2)C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)c1	409378410	PFXJZQULSLEVRG-NRHDKYBCSA-N	511.527	2.844	0	40	KFAB	
COCC(=O)N1C[C@H](CC(C)C)N(C(=O)CSc2ncnc3sc(C)c(C)c23)CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)C1	643912848	BYHIRIITRCAPGQ-IILZIBOQSA-N	626.842	2.666	0	40	KFAB	
O=C(NCc1ccc(Cl)cc1)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	854529	QTHGHEKXMFLEPO-QHCPKHFHSA-N	534.059	2.720	0	40	KFAB	
CCOC(=O)Cn1nnnc1CN(CCc1ccc(OC)c(OC)c1)Cc1cc2c(C)ccc(C)c2[nH]c1=O	927071	ARCBEBOQPSKZBU-UHFFFAOYSA-N	534.617	2.957	0	40	KFAB	
COc1ccc(CCNC(=O)CCCCCn2c(SCC(N)=O)nc3cc4c(cc3c2=O)OCO4)cc1OC	4175740	WPXJTKDGWUMGST-UHFFFAOYSA-N	556.641	2.639	0	40	KFAB	
COc1cc(S(=O)(=O)N2CCOCC2)ccc1NC(=O)COc1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1	17527687	RDTIZYGSVQJFRA-UHFFFAOYSA-N	589.692	2.867	0	40	KFAB	
CCOC(=O)[C@@](NC(=O)c1ccco1)(Nc1ccc(S(=O)(=O)Nc2cc(OC)nc(OC)n2)cc1)C(F)(F)F	33353735	KEHMXWYHCSUOJI-NRFANRHFSA-N	573.506	2.551	0	40	KFAB	
Cn1cc(C(=O)N2CCN(c3ccccc3F)CC2)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)n1	102920463	YUOYMEKTFDZWPV-UHFFFAOYSA-N	547.056	2.686	0	40	KFAB	
COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)COC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)cc1OC	103129090	DHSSHPRZFZIQQJ-HXUWFJFHSA-N	548.577	2.690	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)cc1	223078799	QQOIIXDJENSZHD-SFHVURJKSA-N	533.647	2.564	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	260984039	ORGURGGEZSJOKA-ROUUACIJSA-N	523.627	2.941	0	40	KFAB	
O=C(NCCCN1CCOCC1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1	408583061	YLEIUHKWYILTFO-SFHVURJKSA-N	529.435	2.893	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OCCn3c(=O)n(C)c4ccccc43)cc2)C[C@](O)(COc2ccc(F)cc2)C1	585274748	ZAXVGBVADUXILQ-JGCGQSQUSA-N	592.668	2.659	0	40	KFAB	
COc1cc(CN2CC[C@H](O)[C@@](O)(COc3cc(C)ccc3Cl)C2)ccc1OCCn1cnnc1	2037942874	KNEHORXEJKECJN-DQEYMECFSA-N	502.999	2.704	0	40	KFAB	
CCS[C@H]1[C@@H](n2cnc3c(Cl)nc(Cl)nc32)O[C@@H]([C@@H](COC(C)=O)OC(C)=O)[C@H]1OC(C)=O	5120789	ZHGZDYNKUOXKLU-DJSHQUBXSA-N	521.379	2.579	0	40	KFAB	
O=S(=O)(c1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(Br)cc1)N1CCOCC1	10119326	ZPRPPKVAJBWXLJ-UHFFFAOYSA-N	501.424	2.612	0	40	KFAB	
CCOC(=O)c1cccc(NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)c1	10441177	LJGOGOFVXSKOSS-UHFFFAOYSA-N	502.330	2.873	0	40	KFAB	
COC(=O)c1c(NC(=O)COC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)sc(C)c1C	12524985	VOHQQPAKONEDCC-UHFFFAOYSA-N	523.633	2.798	0	40	KFAB	
COc1ccccc1NS(=O)(=O)c1cc(NC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)ccc1Cl	13134658	OYNWWABBSONHLE-UHFFFAOYSA-N	514.947	2.791	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)C1CCN(S(=O)(=O)Cc2cccc(C)c2)CC1	59853367	ZWQCJHLNNDSULV-UHFFFAOYSA-N	535.688	2.969	0	40	KFAB	
O=S(=O)(NC1CC1)c1ccc(S(=O)(=O)N2CCC(c3nc(O)c4nnn(Cc5cccc(Cl)c5)c4n3)CC2)cc1	100445748	DKZPRHPBZCQFTM-UHFFFAOYSA-N	604.114	2.638	0	40	KFAB	
CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)/C=C/c2ccc(S(=O)(=O)Nc3cccc(S(N)(=O)=O)c3)cc2)c1	102932157	SWOQBPBOBIKERW-BJRSVTDJSA-N	571.633	2.921	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c2ccccc2)cc1	113634381	RGFYOHBBHIRFIY-UHFFFAOYSA-N	543.667	2.732	0	40	KFAB	
COc1ccccc1CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222857702	RANGBWPRICEODF-JOCHJYFZSA-N	599.681	2.968	0	40	KFAB	
CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	223249981	JYXGABWPACYDFD-DEOSSOPVSA-N	519.623	2.916	0	40	KFAB	
O=C1[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccc(OC(F)(F)F)cc3)C2)C(=O)N1Cc1cccc(Cl)c1	225440169	ALLJOHBMLMQUFW-QUCCMNQESA-N	509.912	2.797	0	40	KFAB	biogenic,in-vitro
COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)c(C)c2)C1	408589819	GACASBCZOAJGFP-MRXNPFEDSA-N	506.577	2.847	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCC(=O)O)c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1	408832364	YDWIXGONZFCSKJ-RQPWHTLTSA-N	724.526	2.901	0	40	KFAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCc2ccc(CN3CCCC3=O)cc2)CC(=O)N(Cc2ccccc2)CC1=O	643570923	YROYLNCXOBRXOT-PMERELPUSA-N	639.753	2.884	0	40	KFAB	
COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCc3ccccc3)N3CCN(C(=O)c4ccco4)CC3)cc2c1	1382158	JVJJTHQMHGNPEM-SANMLTNESA-N	539.596	2.906	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nnc(-c4cc(Cl)ccc4Cl)n3N)CC2)cc1	3391402	UZPPGOVLCRWVTR-UHFFFAOYSA-N	541.486	2.899	0	40	KFAB	
CCOC(=O)C1=c2s/c(=C/c3ccc(Cl)cc3)c(=O)n2C(N)=C(C(=O)OC)[C@@H]1c1ccc(Cl)cc1	8448685	JNGWZWAKNOEMAD-WQJNHMDYSA-N	531.417	2.857	0	40	KFAB	
Cc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(Cc2ccc(F)cc2)C(=O)c2snc(C(N)=O)c2N)o1	12715083	IZVQHXXRPYFBQO-JXFKEZNVSA-N	515.567	2.544	0	40	KFAB	
CCOC(=O)N1CCN(C(=O)c2cc(OC)c(OC)cc2N(Cc2ccccc2)S(C)(=O)=O)CC1	22253653	OHTQTQIMJAOHDK-UHFFFAOYSA-N	505.593	2.584	0	40	KFAB	
O=C(NC[C@H](c1cccs1)N1CCOCC1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl	38139855	WXQIZZKRMSHWDG-GOSISDBHSA-N	534.487	2.879	0	40	KFAB	
O=C(O)/C=C/c1ccc(O)c2c1[C@H](C(=O)O[C@@H](Cc1ccc(O)c(O)c1)C(=O)O)[C@@H](c1ccc(O)c(O)c1)O2	67913695	HHKGQYGYEDKXNE-WDMOTZMRSA-N	538.461	2.769	0	40	KFAB	biogenic,in-vitro
Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)N(CC(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	97982494	SKKHQAOBOHOOPC-UHFFFAOYSA-N	544.612	2.816	0	40	KFAB	
Cc1ccc(N2C(=O)NC(=O)[C@H](C(c3ccncc3)[C@@H]3C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)C2=O)cc1	100313815	VHHSZSIZEYUING-FRIKZZABSA-N	525.521	2.580	0	40	KFAB	
Cc1ccc(C)c(Cn2nnc3c(O)nc(C4CCN(S(=O)(=O)c5ccc6c(c5)OCCO6)CC4)nc32)c1	100445867	LZTDAMZCGNTFPO-UHFFFAOYSA-N	536.614	2.932	0	40	KFAB	
O=C(CCCCN1C(=O)c2ccccc2C1=O)N1CCOCCN(C(=O)CCCCN2C(=O)c3ccccc3C2=O)CCOCC1	100892753	XJQWVBIRUOZJHT-UHFFFAOYSA-N	632.714	2.623	0	40	KFAB	
COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)c1OC	102955706	LEIFEIADRCSDIB-UHFFFAOYSA-N	567.686	2.542	0	40	KFAB	
CN1CCC(C(=O)Nc2ccc3c(ccn3C)c2)(N(CCCn2ccnc2)C(=O)CN2C(=O)c3ccccc3C2=O)CC1	105594845	XYVCGLJNRIKIEO-UHFFFAOYSA-N	581.677	2.993	0	40	KFAB	
C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(COc2ccccc2F)nnc1SCC(=O)c1c(N)n(C)c(=O)n(C)c1=O	108823608	DDXGBFDTSWBNOB-LTIDMASMSA-N	542.637	2.948	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O	222374357	AFYFIICYSRAWTM-INIZCTEOSA-N	543.427	2.529	0	40	KFAB	
Cc1ccc(S(=O)(=O)NCCNC(=O)COc2ccc(S(=O)(=O)N[C@H](C)c3ccccc3)cc2)cc1	222642929	LVRNLNUYFCJFMM-HXUWFJFHSA-N	531.656	2.508	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O	222842414	AYEXKPUXRONVFA-CQSZACIVSA-N	502.420	2.931	0	40	KFAB	
CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	222932386	GYIRBXCRSOQUBQ-QHCPKHFHSA-N	506.644	2.813	0	40	KFAB	
CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	223156826	OJSZUOKNFCQRHT-XMMPIXPASA-N	519.623	2.916	0	40	KFAB	
COc1cccc(-c2noc(CN(C)S(=O)(=O)c3nnc(NC(=O)c4cccc(C)c4)s3)n2)c1	224045777	HDXQTNUXRLTOOZ-UHFFFAOYSA-N	500.562	2.978	0	40	KFAB	
CN1CCN(C(=O)C[C@]2(COc3ccccc3)CCCN(S(=O)(=O)c3c(F)cccc3F)C2)CC1	257342637	ZPNDBFWUNBWKAD-RUZDIDTESA-N	507.603	2.979	0	40	KFAB	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(=O)OC)cc3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC	408947602	QLGSUYMFJJNPLB-XQJRBFNUSA-N	512.971	2.857	0	40	KFAB	
CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OC)n2c(s/c(=C3\C(=O)N(C)c4ccccc43)c2=O)=N1	409114573	HNVYOJBRPRELRF-KXNAUXDSSA-N	517.607	2.934	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OCCCn3ccnc3C)cc2)C[C@@](O)(COc2ccc(F)cc2)C1	585272192	GXZWQKPBPZDZAZ-LJAQVGFWSA-N	540.636	2.900	0	40	KFAB	
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C(=S)NC(=O)c4ccccc4F)CC3)cc21	2338875	XDYSBUAWRBKWTK-UHFFFAOYSA-N	500.527	2.835	0	40	KFAB	
CC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)cc3)c2C(N)=O)C1	3007310	WJONFCZTMQGVAE-GJZGRUSLSA-N	518.661	2.671	0	40	KFAB	
COc1cccc(C(=O)Oc2ccc(C(=O)COC(=O)[C@H]3CC(=O)N(NC(=O)c4ccccc4)C3)cc2)c1	8927397	MGEUXRCOLUTIQF-NRFANRHFSA-N	516.506	2.834	0	40	KFAB	
COCCn1nnnc1[C@H](c1cc2ccc(C)cc2[nH]c1=O)N1CCN(c2nc3ccccc3s2)CC1	20082540	UMAKLXAAEABDPZ-QHCPKHFHSA-N	516.631	2.991	0	40	KFAB	
CCOc1nc2sc3c(c2c(=O)n1CCN1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)CCCC3	104131253	DCSFLSLACBJGLL-UHFFFAOYSA-N	532.688	2.751	0	40	KFAB	
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)OC	150663561	AUHQZSDJRFBFIE-RKIKPYJTSA-N	746.947	2.668	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	222866011	YAWQDOXOBFALBQ-XMMPIXPASA-N	553.637	2.576	0	40	KFAB	
CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	222867626	KHJSONHBDIFKNN-QFIPXVFZSA-N	535.663	2.810	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1cccc(OC)c1)[C@@H](Cc1ccccc1)C(=O)NC)c1ccc2c(c1)OCO2	222870966	FBQNKQDHMXBSEU-VWLOTQADSA-N	567.664	2.966	0	40	KFAB	
CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@H](C(=O)NCCO)c2ccccc2)cc1	223517593	VFSRLZLIAQVDME-NDEPHWFRSA-N	553.681	2.805	0	40	KFAB	
CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	224241192	OBAWWROSKKTODO-OAQYLSRUSA-N	505.637	2.722	0	40	KFAB	
Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NCCOc3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2)c1	224396387	VZHJDCJYLMMJJZ-UHFFFAOYSA-N	563.742	2.907	0	40	KFAB	
CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	225082700	QLEOJCCNDAFZCI-OAQYLSRUSA-N	505.637	2.803	0	40	KFAB	
CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1cc(S(=O)(=O)NC(C)C)ccc1OC	225442532	UZGAMGBDEFLJPE-HXUWFJFHSA-N	513.638	2.574	0	40	KFAB	
COC(=O)[C@]1(c2ccccc2)N[C@H](c2ccc(O)cc2)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21	245230755	YFEFDAGKSLPAEF-GFXAMXPBSA-N	500.507	2.682	0	40	KFAB	
CC(C)NC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(CC4CCCCC4)C[C@H]3C(=O)NC[C@H]1O2	253395845	CPNYLNLQFOZRQH-JGDRUYDSSA-N	569.747	2.916	0	40	KFAB	
CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(OCC(=O)N4CCOCC4)cc3)c2=O)=N1	409150828	DYHYCZKLKCSERM-FWESEHMYSA-N	635.739	2.833	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(CC(=O)N4CCOCC4)c4ccccc34)c(=O)n2[C@H]1c1cccs1	409164333	GYNYOQPUJZQPOZ-WPUHHHFCSA-N	576.700	2.673	0	40	KFAB	
CC(C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCCc2ccccc2)NC(=O)c2ccccc2OC[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O	643574805	RVDIWVCYXLJRNS-CIYYUPPYSA-N	655.796	2.643	0	40	KFAB	
CCCN(CC(=O)N1CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)CN(C(=O)c2ccccc2F)C[C@H]1CC(C)C)C[C@@H]1CCCO1	643586682	NUJKQKDPZCOWCA-NPHOFPSWSA-N	623.807	2.949	0	40	KFAB	
CC(C)N1CC(=O)NCCCCCOc2ccc(CCC(=O)N3CCN(c4ncccn4)CC3)cc2C1	1848441830	JZWHCSBSBQYVPA-UHFFFAOYSA-N	508.667	2.647	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCN(c3nc4ccccc4nc3-n3nc(C)cc3C)CC2)cc1OC	9605392	XPZQVBCYJFWPMU-UHFFFAOYSA-N	508.604	2.960	0	40	KFAB	
CCC(C)(C)n1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(C(=O)c2ccco2)CC1	20080831	ZNWQBMJANBFKBU-JOCHJYFZSA-N	519.562	2.529	0	40	KFAB	
COCCn1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N(Cc1cccnc1)Cc1ccco1	57531074	IBFKRDUUKHGMIK-DEOSSOPVSA-N	515.530	2.670	0	40	KFAB	
Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccc(I)cc3)CC2)n1	100956996	CYLZUTLDGBDGGS-UHFFFAOYSA-N	527.432	2.891	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	223485950	SPIPZBNUFZWIHZ-IBGZPJMESA-N	535.663	2.812	0	40	KFAB	
CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	224717917	XZBQGEQJPGZTCS-IBGZPJMESA-N	505.637	2.722	0	40	KFAB	
COC(=O)CSc1nnc(NC(=O)[C@H]2CN(S(=O)(=O)Cc3ccccc3)c3ccccc3O2)s1	225622288	GGPWBIOZMRKSBY-QGZVFWFLSA-N	520.614	2.539	0	40	KFAB	
Cc1cccc(C)c1NC(=O)COc1ccc(N2C[C@H](C(=O)NCCCN3CCOCC3)CC2=O)cc1	408581874	UYJGBTVTPJESHR-JOCHJYFZSA-N	508.619	2.512	0	40	KFAB	
O=C1NC2(CCOc3cc(-c4ccccc4)ccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(Cc1nccs1)CC2	1548890548	SJDSTLTWQGYTKH-PKTZIBPZSA-N	568.721	2.868	0	40	KFAB	
NS(=O)(=O)c1ccc(CCNC(=O)CSC2=Nc3ccccc3C3=N[C@H](Cc4ccccc4)C(=O)N23)cc1	2964465	MSJPOLXQDJDWSQ-HSZRJFAPSA-N	547.662	2.627	0	40	KFAB	
CCN(CC)C[C@H](O)COc1ccc(S(=O)(=O)c2ccc(OC[C@@H](O)CN(CC)CC)cc2)cc1	4257944	LTOPLLSXFRYAET-VXKWHMMOSA-N	508.681	2.682	0	40	KFAB	
CCc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NCCOC)c1ccc(OC)cc1	6860699	IWNHCRDASKYPJC-OAQYLSRUSA-N	511.604	2.546	0	40	KFAB	
CCn1cc(C(=O)N[C@@H](CC(C)C)C(=O)N2CCN(c3ccccn3)CC2)c(=O)c2cc3c(cc21)OCO3	9305087	XEBNCFULQLYZGX-NRFANRHFSA-N	519.602	2.638	0	40	KFAB	
COc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccco2)C(=O)c2snc(C(N)=O)c2N)cc1OC	12716783	YELWFOAKZJNBMT-OAQYLSRUSA-N	527.603	2.877	0	40	KFAB	
O=C(Nc1ccc(N2CCOCC2)cc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)OCCO2	15980474	QVIMTBGNONRUAV-DEOSSOPVSA-N	523.611	2.823	0	40	KFAB	
CCOc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C[C@@H]2CCCO2)C(=O)Cn2nnc3ccccc32)cc1	33936857	RGEUHPYCZFZXLD-KHVXQDHOSA-N	521.618	2.874	0	40	KFAB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	44791693	JXLIXHMJOMNBPE-UHFFFAOYSA-N	515.613	2.542	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)ccc3OC)c(=O)n2[C@H]1c1ccc(OC)cc1OC	59418411	IXCRIIZEEKRFAW-MFUBYVTQSA-N	524.595	2.833	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	222716274	OQUMVEBIIIHLHJ-AWEZNQCLSA-N	519.426	2.909	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O	222842323	FPXGPIYXIJYKNE-HNNXBMFYSA-N	501.527	2.643	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1	224717237	XIYFQTGKUMGROC-UHFFFAOYSA-N	565.714	2.852	0	40	KFAB	
O=C(CN1CC[C@@]2(CCCN2Cc2ccccc2)[C@@H](O)C1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1	257339234	ZAVHUNJSMNXOFO-XCZPVHLTSA-N	526.703	2.901	0	40	KFAB	
COc1ccc(CN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NCCN2CCOCC2)cc1	260722671	RHOMRCIUFLJFIE-WJOKGBTCSA-N	622.788	2.545	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1	409014658	XWOGAOUXQILPOU-KEBLUXQBSA-N	605.713	2.743	0	40	KFAB	
COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccc(C)cc1	409390732	VPEKHHBRLIKUOF-UHFFFAOYSA-N	503.602	2.793	0	40	KFAB	
COc1cc([C@H](CC(=O)NCc2c3c(c(OC)c4c2OCO4)CN(C)CC3)c2oc(C)cc(=O)c2O)ccc1O	604404157	KETRIXRSPNMILX-SFHVURJKSA-N	552.580	2.932	0	40	KFAB	biogenic
COCC(=O)N1C[C@H](CC(C)C)N(C(=O)CSc2nnc(-c3ccncc3)n2-c2cccc(OC)c2)CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)C1	643913335	RLUNFNZZCZLBRX-GUCGJYCKSA-N	714.886	2.696	0	40	KFAB	
Nc1nc(SCC(=O)Nc2ccc(F)cc2F)[nH]c(=O)c1NC(=O)c1ccc(Br)o1	9518239	RUUQXPGKTFFTOI-UHFFFAOYSA-N	500.281	2.969	0	40	KFAB	
CCOc1ccc(CC(=O)N/N=C/c2cc(I)c(OCC(=O)O)c(OC)c2)cc1	10476001	BJZROIPHPJHXOZ-SSDVNMTOSA-N	512.300	2.855	0	40	KFAB	
C[C@H](C(=O)NC(C)(C)C)N(C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1F	12708885	JSTODYCWGVBITQ-GEFOQTLXSA-N	505.568	2.578	0	40	KFAB	
COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2cccs2)c1	12711307	LFXOGZURSAMNRC-HNAYVOBHSA-N	515.617	2.578	0	40	KFAB	
COc1cc(CNCCc2ccc(S(N)(=O)=O)cc2)ccc1OCc1nnnn1-c1ccc(C)cc1	22108236	CKQLYCUWRFMARJ-UHFFFAOYSA-N	508.604	2.538	0	40	KFAB	
CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)N[C@H](C(=O)O)c2ccccc2)CC1	38140337	OZSFTISQEJOMNF-GOTSBHOMSA-N	547.699	2.576	0	40	KFAB	biogenic
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1	59837464	WNDNHDSZKSCOBO-UHFFFAOYSA-N	622.563	2.977	0	40	KFAB	
CCOC(=O)c1oc2cc(O[C@H]3O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)ccc2c(=O)c1-c1cscn1	85866771	SFBDPQSPXMSRAI-YAOHRGSISA-N	647.611	2.555	0	40	KFAB	biogenic
COc1cc(/C=C/C(=O)NCCOC(=O)/C=C/c2cc(OC)c3c(c2OC)OCO3)c(OC)c2c1OCO2	100237714	RLWIORPFMBQXME-KQQUZDAGSA-N	529.498	2.564	0	40	KFAB	
CCOCCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)sc2cc(S(N)(=O)=O)ccc21	100873646	DVSFWFPIKOYXBE-HIDBMEOHSA-N	566.727	2.548	0	40	KFAB	
CCn1cc(C(=O)Nc2ccc(S(C)(=O)=O)cc2)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1	102920975	QMNWBLTURIABDH-UHFFFAOYSA-N	545.687	2.687	0	40	KFAB	
CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O	223474744	ZVOHAKKHZAAWKH-HXUWFJFHSA-N	510.454	2.811	0	40	KFAB	
COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1	225522313	UBHXORUSIHGVEA-GOSISDBHSA-N	509.650	2.730	0	40	KFAB	
O=C1C[C@@H](C(=O)NC2CCCC2)NC(=O)c2ccccc2OCCCCCCNC(=O)[C@H](Cc2ccc(O)cc2)N1	1615159255	MWSAPGNOZHQQDF-UIOOFZCWSA-N	564.683	2.736	0	40	KFAB	
COc1cc(NC(=O)[C@H](CCSC)NC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(OC)c1	2094118	KDERFFSXHGPMLQ-WWMYMODYSA-N	500.621	2.755	0	40	KFAB	biogenic
CN(C)S(=O)(=O)c1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4ccccc4c3)C2)cc1	20032040	OZMLKRNTQXDHAE-QFIPXVFZSA-N	515.657	2.807	0	40	KFAB	
COC(=O)c1c(N(S(C)(=O)=O)S(C)(=O)=O)sc2c1CCN(c1ncc(C(F)(F)F)cc1Cl)C2	38139053	FGGKYCZHAMIHNN-UHFFFAOYSA-N	547.986	2.890	0	40	KFAB	
CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCOCC3)c2)CC1	38139533	LXXYMIBXTBDHKS-UHFFFAOYSA-N	540.564	2.647	0	40	KFAB	
Cc1nnc(NC(=O)CSc2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)s2)s1	97961380	CPMURZCXMJELHT-UHFFFAOYSA-N	539.690	2.856	0	40	KFAB	
COc1cc(C=C(C(=O)NC[C@@H]2CCCO2)C(=O)NC[C@H]2CCCO2)ccc1OCC(=O)Nc1ccc(C)cc1	97981422	VDIIXQJBOSERJM-PSWAGMNNSA-N	551.640	2.995	0	40	KFAB	
COc1cc(C[C@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)cc(OC)c1	100472137	BEVRSVCMBNECIL-QFIPXVFZSA-N	557.591	2.739	0	40	KFAB	
O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccc(Cl)cc2)CC1)Nc1ccc(Br)cc1	102100824	RKZPUBSEMRLESU-OAQYLSRUSA-N	548.869	2.580	0	40	KFAB	
CO[C@@H]1[C@H](O)[C@H](O[C@@H]2C[C@@H]3CC[C@@H]4[C@H](CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@@]45O)[C@@]3(C)[C@H](OC(C)=O)C2)O[C@@H](C)[C@H]1O	118926884	NTCQLIABTKPIND-XRNMOCLBSA-N	592.726	2.652	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCN(S(=O)(=O)Cc4cccc(Cl)c4)CC3)CC2)cc1	216255424	DZTJUCQDRTYJQJ-UHFFFAOYSA-N	540.107	2.723	0	40	KFAB	
CCOc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)S(C)(=O)=O)cc1	216282548	PIMYFVYJYRWLRT-QGZVFWFLSA-N	533.632	2.778	0	40	KFAB	
COCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	223150280	PBPVBWXHNYEVRV-LJAQVGFWSA-N	613.708	2.628	0	40	KFAB	
COc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c(OC)c1	223731990	ZYEHZJIDPKILQP-IBGZPJMESA-N	517.648	2.946	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	224405559	NGGQRZKRFNRRDN-QHCPKHFHSA-N	556.106	2.863	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCCSc2ncn[nH]2)cc1Cl	226052419	WHXFCEMBNYYNOS-UHFFFAOYSA-N	510.041	2.609	0	40	KFAB	
CC(C)(C)OC(=O)NCc1ccc(C(=O)N(Cc2ccccc2)C[C@@H]2C[C@H](O)[C@@H](n3ccc(O)nc3=O)[C@@H]2O)cc1	257251261	JQASKLNIQFXHMX-IHBRBHLJSA-N	564.639	2.599	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCCOc3ccc(S(=O)(=O)N(C)C)cc3)Oc3cc(C)ccc32)cc1	260886156	GAHVXCURIOVCGP-AREMUKBSSA-N	573.693	2.705	0	40	KFAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(O)c(OC)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	409108146	VRIGHIHDXRLWNH-ZDGAQAAHSA-N	567.664	2.844	0	40	KFAB	
CCOc1cc(/C=C2/SC(=O)N(CCOC)C2=O)cc(I)c1OCC(=O)O	409132112	LFYGZPNBMZMPLC-MDWZMJQESA-N	507.302	2.836	0	40	KFAB	
CCCN1C(=O)N/C(=C/c2cc(I)c(OCC(=O)OC)c(I)c2)C1=O	409239040	FQJANIXEQJHJME-KPKJPENVSA-N	570.121	2.750	0	40	KFAB	
COc1cc([C@@H](CC(=O)NC[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)c2oc(C)cc(=O)c2O)ccc1O	524730473	KOLDXNBRTHNRJM-RTBURBONSA-N	552.580	2.973	0	40	KFAB	biogenic
O=S1(=O)C[C@@H](O)[C@H](N(Cc2ccccc2)S(=O)(=O)c2cc(Br)ccc2Br)C1	575425306	XVFJHCSAPNADLG-HZPDHXFCSA-N	539.267	2.560	0	40	KFAB	
CC(C)C[C@H]1NC(=O)C[C@@H](C(=O)NCC(C)(C)c2ccc(F)cc2)NC(=O)c2ccccc2OCCN(C)C1=O	643565051	AHEVGXWJTPEVNG-BJKOFHAPSA-N	554.663	2.790	0	40	KFAB	
O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1	3397074	SCWJYUCWGJVXFV-UHFFFAOYSA-N	533.509	2.500	0	40	KFAB	
CC(C)C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(N)=O	4574644	XBCBVEZYAJFLPS-QNWVGRARSA-N	548.681	2.560	0	40	KFAB	aggregator
C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](CC(=O)O)C(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C	9033643	ZNPMAJFFZNNVII-XWPMQBAESA-N	500.592	2.730	0	40	KFAB	biogenic
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(C(=O)N2CCC[C@H]2C(=O)O)CC1	12863836	PQYVBAQOKOZGBD-VXKWHMMOSA-N	512.607	2.918	0	40	KFAB	biogenic
COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H](CC(N)=O)N[C@@]12C(=O)Nc1ccc(Br)cc12	16027182	QXHHTWPQPJNDRS-BRZCCTTDSA-N	507.772	2.751	0	40	KFAB	biogenic
COc1ccc([C@@H](CNC(=O)[C@@H](CCSC)NS(=O)(=O)c2ccc(C)cc2)N2CCOCC2)cc1	33026080	OGADJNZGDCMTKC-DNQXCXABSA-N	521.705	2.593	0	40	KFAB	
COc1ccc(CCNC(=O)C(=O)NC[C@H](c2ccco2)N2CCN(c3ccccc3F)CC2)cc1OC	56945728	FHQZNFQNEDHMCH-HSZRJFAPSA-N	524.593	2.774	0	40	KFAB	
COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1	59838894	HTLUQMSVTWXMGI-HXUWFJFHSA-N	553.678	2.726	0	40	KFAB	
CCN(CC)S(=O)(=O)c1cc(NC(=O)/C=C/c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)ccc1C	97980128	LAUIFYBSTUXFCR-FMIVXFBMSA-N	551.687	2.707	0	40	KFAB	
CCc1ccccc1N(CC(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)S(=O)(=O)c1ccccc1	224202434	KRIXLKKBOZTHHY-UHFFFAOYSA-N	545.683	2.890	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	260935262	ICGZLURJWONPHW-MOPGFXCFSA-N	535.663	2.810	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409049349	QMPPEKYKAQCQJK-FPDADZIKSA-N	624.668	2.683	0	40	KFAB	
COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc(I)c1OC(C)C	409143144	ZHIHBVKURFECQT-MHWRWJLKSA-N	546.383	2.982	0	40	KFAB	
COCC(=O)N1C[C@H](CC(C)C)N(C(=O)C2(c3ccccc3F)CCCC2)CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)C1	643586355	USTLCOLBYIVESW-UMDVNSCSSA-N	580.738	2.903	0	40	KFAB	
COc1cccc(-c2ccc3c(c2)OCCC2(CCN(Cc4cccnc4)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2S3(=O)=O)c1	1548889876	LJRBIPYKMXTBBA-VPUSJEBWSA-N	592.718	2.815	0	40	KFAB	
O=C(NCc1ccc(NC(=O)[C@H]2C[C@@H]2c2cccnc2)cc1F)c1ccc(N2CCN(C(=O)CCOCCN3C(=O)C=CC3=O)CC2)cc1	1772572891	ZIJGVXBDFVHKQP-IHLOFXLRSA-N	668.726	2.873	0	40	KFAB	
Cc1nc(NC(=O)CN2CCC[C@@]3(CC=CCOc4ccccc4C(=O)NCCNC3=O)C2)sc1C	2037879714	MFTOKLUNWUHZEG-SANMLTNESA-N	511.648	2.666	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)cc3OC)c(=O)n2[C@H]1c1cccs1	634476	IAZLRWOKJOUXIZ-RZXXJPOTSA-N	500.598	2.886	0	40	KFAB	
COC(=O)c1sc(NC(=O)COC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2cccs2)c(C(=O)OC)c1C	2657016	KFAHOJKEODDQNQ-KRWDZBQOSA-N	592.673	2.989	0	40	KFAB	
CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)/C=C/c2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)c1C	3376134	XILWWXVZJWGCTA-LFAOLKIESA-N	511.984	2.765	0	40	KFAB	
N[C@@H](CCC(=O)N[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NCC(=O)O)C(=O)O	5067023	WLSQFRDQFMRSMZ-BJKOFHAPSA-N	549.649	2.589	0	40	KFAB	
CN(C)c1ccc(-c2ccnc(N[C@H]3CO[C@@H]4[C@@H](NC(=O)CC5(CC(=O)O)CCCC5)CO[C@H]34)n2)cc1	5399522	JMBNOSCCWFFVOT-KXTAGPOFSA-N	509.607	2.698	0	40	KFAB	biogenic,in-vitro
CCOC(=O)C[C@@]1(O)Oc2cc3c(cc2[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@@H]1C(=O)OCC)OCO3	5664472	MTMPILBIFFMRTK-JQYIIUTOSA-N	518.515	2.787	0	40	KFAB	
O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl	12620039	HWGGTLGUPPNXME-XMMPIXPASA-N	517.007	2.847	0	40	KFAB	
CCCn1cc(C(=O)N2CCN(CC(C)C)CC2)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)n1	67337656	RPFUXLOYRYRJRL-UHFFFAOYSA-N	537.130	2.871	0	40	KFAB	
C[C@]12C[C@H](O)[C@@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O	79221536	OIFUSWZLCJYPAZ-HORRXRAPSA-N	662.736	2.888	0	40	KFAB	biogenic
Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2nn(C)cc2C(=O)N2CCN(c3ccccc3)CC2)CC1	102920756	OMKQMVCICRLOQD-UHFFFAOYSA-N	543.093	2.855	0	40	KFAB	
NC(=O)[C@](O)(CNc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1F)C(F)(F)F	221102162	YWQFJNWMWZMXRW-HXUWFJFHSA-N	509.395	2.512	0	40	KFAB	
CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	222485439	HEKWSTKTUCXKTA-NRFANRHFSA-N	503.621	2.822	0	40	KFAB	
Cc1ccc(S(=O)(=O)NCCNC(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1	222560446	AQRQMNKHBMGAET-UHFFFAOYSA-N	515.657	2.644	0	40	KFAB	
O=C(COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)NCCSc1ncn[nH]1	222729013	CISMLYAHBBRWMM-UHFFFAOYSA-N	501.512	2.912	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223125300	RKKILODSBVEDFP-FQEVSTJZSA-N	517.648	2.866	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O	223439665	ZWZFJKNUQPGLPP-IBGZPJMESA-N	505.637	2.803	0	40	KFAB	
O=C(NCc1cccc(CN2CCOCC2)c1)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1	224731999	SBRNDJSNEHLYMY-MHZLTWQESA-N	521.639	2.933	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225113912	BZKXMFCYJYTQFF-WOJBJXKFSA-N	517.648	2.864	0	40	KFAB	
CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225270791	FKCUIJOINANQLN-NRFANRHFSA-N	521.611	2.697	0	40	KFAB	
CCOC(=O)c1ccc(NC(=O)COc2ccc(Br)cc2/C=c2\sc3ncnn3c2=O)cc1	256055487	IIPKGIJEKCNUCD-ZDLGFXPLSA-N	529.372	2.655	0	40	KFAB	
CCCC1=C(C(=O)OCC)[C@H](c2cccc(OC)c2)n2c(s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)c2=O)=N1	409155644	MCOGNWNABWSKFS-ZNRKBWGRSA-N	635.739	2.833	0	40	KFAB	
Cc1cc(OC[C@@]2(CC(=O)N3CCN(C)CC3)CN(C(=O)C[C@@H]3CCCCO3)CCO2)ccc1Cl	585286884	RZOKXLUPRLUORY-HFZDXXHNSA-N	508.059	2.748	0	40	KFAB	
COC(C)(C)C(=O)N(C)CCCC[C@H]1C(=O)N(C)CCCCNCCCOc2ccccc2C(=O)N1C	643560001	HODJOPCJHUTCBA-QHCPKHFHSA-N	518.699	2.792	0	40	KFAB	
CCOC(=O)CNC(=O)[C@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)c(C)c1	6546987	FSCSPRHUUSZTIT-NRFANRHFSA-N	527.578	2.648	0	40	KFAB	
O=C(COc1nc2ccccc2nc1N1CCOCC1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1	8692638	BDUMDUDIJGOORZ-UHFFFAOYSA-N	511.604	2.659	0	40	KFAB	
C[C@@H](OC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1)C(=O)N[C@@H]1CCCC[C@H]1C	12978235	VWTOETCPMQEPDG-IIDMSEBBSA-N	517.442	2.710	0	40	KFAB	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1	13139933	PRUSDZWKSOSWQP-UHFFFAOYSA-N	509.650	2.765	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1	15318721	XCTLFBCRTJJAIN-QGZVFWFLSA-N	515.588	2.633	0	40	KFAB	
COCCn1nnnc1[C@H](c1cc2cc(C)c(C)cc2[nH]c1=O)N1CCN(c2cccc(OC)c2)CC1	20083632	ANIMFZOOEXDBEF-VWLOTQADSA-N	503.607	2.698	0	40	KFAB	
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCCC4)ccc3C)cc2)n1	30853735	WXEJOBFEXRRDFU-UHFFFAOYSA-N	515.617	2.931	0	40	KFAB	
CC[C@H](C)[C@H](NC(=O)C1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(C)cc2)CC1)C(=O)O	38144947	WKVSFTRPXKAZBK-OPXMRZJTSA-N	543.686	2.739	0	40	KFAB	biogenic
COc1ccc(CCn2c3c(c(=O)[nH]c2=O)[C@@](NC(=O)CCC2CCCCC2)(C(F)(F)F)C(=O)N3)cc1OC	100934341	SRLSKKZWKNZKHI-VWLOTQADSA-N	552.550	2.983	0	40	KFAB	
C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)NCc4ccco4)cc3)cc2)C[C@@H](C)O1	102970610	BBZFAXXURUMCKZ-HDICACEKSA-N	533.628	2.808	0	40	KFAB	
COC(=O)Cn1c(=O)c(C(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)c(N)n(Cc2ccccc2)c1=O	103072029	LCROHZNVICILKD-UHFFFAOYSA-N	576.679	2.882	0	40	KFAB	
COc1ccc(-c2coc3cc(O[C@H]4O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]4OC(C)=O)ccc3c2=O)cc1	170621357	FTCLAIAXKAGMBI-HRZHTRQKSA-N	598.557	2.931	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O	222612221	IKWKDQAOFDXLDN-OAHLLOKOSA-N	514.417	2.826	0	40	KFAB	
CCn1c(=O)oc2cc(S(=O)(=O)N3C[C@@H](C(=O)NCCc4ccccc4)Oc4ccccc43)ccc21	223032692	NXSLAIWXDRXQJN-DEOSSOPVSA-N	507.568	2.930	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1	223885434	VCHARQWXRMZCPG-FQEVSTJZSA-N	515.632	2.960	0	40	KFAB	
CS(=O)(=O)N(CCCC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Cl)c(Cl)c1	224488425	YTRNDAPWSGDOFD-UHFFFAOYSA-N	594.539	2.756	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O	225485083	HLKRUTFQFBEXIU-OAHLLOKOSA-N	524.437	2.581	0	40	KFAB	
Cc1nc(N(C)S(C)(=O)=O)sc1C(=O)N1C[C@@H](C(=O)NCCc2ccccc2)Oc2ccccc21	225879729	MYJOJGBJWCNXOH-FQEVSTJZSA-N	514.629	2.614	0	40	KFAB	
CN1CCN(C(=O)C[C@H]2CN(C(=O)C3CCOCC3)CC[C@@H]2Oc2cccc(Br)c2)CC1	257239488	HPMNPJQMYPTZLO-UGKGYDQZSA-N	508.457	2.636	0	40	KFAB	
COc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(OC)c(C(=O)N4CCOCC4)c3)cc2)cc1	408693381	RFFQZTYFEUHLAU-UHFFFAOYSA-N	561.638	2.778	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/[C@H]3C(=O)N(c4ccccc4)N=C3C)c(=O)n2[C@@H]1c1ccc(OC)cc1	409018961	ZOFUFTCAQSRFRP-ZEUVTLAWSA-N	530.606	2.798	0	40	KFAB	
COc1cc(CN2CCN(C(C)=O)C[C@](O)(COc3ccc(C)cc3)C2)ccc1OCCn1ccnc1	585274767	NJNPMXKYLXWHED-NDEPHWFRSA-N	508.619	2.753	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OCCCn3ccnc3C)c(OC)c2)C[C@](O)(COc2ccccc2)C1	585280795	SMXCABWLLMPLQY-SSEXGKCCSA-N	552.672	2.770	0	40	KFAB	
COc1ccccc1OCC(=O)N1CCO[C@@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CCOCC2)C1	585284776	IPHYEEICBDOQEF-MHZLTWQESA-N	533.021	2.961	0	40	KFAB	
O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1	14014080	JFFPMHRKRLUZBS-UHFFFAOYSA-N	519.576	2.900	0	40	KFAB	
COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1	59838876	RCWYOIAFMNFTFC-UHFFFAOYSA-N	579.741	2.557	0	40	KFAB	
CCOC(=O)c1ccc2c(c1)s/c(=N\C(=O)c1ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc1)n2CC(=O)OC	100876164	SJRIOJRIDLXRIX-LRGHJIPQSA-N	575.665	2.592	0	40	KFAB	
COc1ccc(CCN2C(=O)NC(=O)[C@@]3(Cc4c(nc5c(C)cccn5c4=O)N4CCc5ccccc5[C@H]43)C2=O)cc1OC	101670755	ZUOAONDVUWSROA-UBOZLPQGSA-N	593.640	2.988	0	40	KFAB	
CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(I)cc1	198095997	VCAAZKHIPXHKRL-UHFFFAOYSA-N	577.466	2.871	0	40	KFAB	
CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@@H](Cc2ccccc2)C(=O)NCCO)cc1	223162969	YLUJQBMCLLTOES-MHZLTWQESA-N	555.672	2.805	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O	223439607	ZWZFJKNUQPGLPP-LJQANCHMSA-N	505.637	2.803	0	40	KFAB	
COc1ccc(OC)c(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c1	224154434	BLRUJCLNTMOPHA-FQEVSTJZSA-N	519.664	2.968	0	40	KFAB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-n3cnnc3)c2C)cc1NS(C)(=O)=O	225474676	NSIKRVPDCNUHKH-XZOQPEGZSA-N	538.659	2.960	0	40	KFAB	
O=S1(=O)NC[C@H](O)CN(CCc2ccccc2)C[C@]2(COc3cc(-c4ccccc4F)ccc31)C[C@H](O)[C@H](O)C2	253399976	KHGHMTNLFSICGA-KABOGAJBSA-N	570.683	2.571	0	40	KFAB	
COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)CC2)c1	408593703	NVGSKVVJLJREIH-RMKNXTFCSA-N	513.660	2.962	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC	409160607	UTTVXYNGLAZGCM-ZUCAMLDZSA-N	642.130	2.707	0	40	KFAB	
CCOC(=O)Cn1nnnc1CN(Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)c(C)cc2[nH]c1=O	927256	YRPJENNJZULXMR-UHFFFAOYSA-N	504.547	2.626	0	40	KFAB	
Cc1cc(C)cc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(O)cc2)c1	12474036	UBXXNLUAACSIEY-UGKGYDQZSA-N	523.615	2.830	0	40	KFAB	
O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(I)cc1	28208610	ZLLSYQACDJMYKJ-UHFFFAOYSA-N	500.358	2.883	0	40	KFAB	
COc1cccc([C@H](C(=O)NC[C@H]2CCCO2)N(Cc2cccs2)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1	33356891	SIXLIFWDGWPYSE-QFQXNSOFSA-N	583.688	2.967	0	40	KFAB	
CC(=O)Nc1ccc(S(=O)(=O)N[C@@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=S)n3CCc2ccccc2)cc1	100181393	OFPKHYHYMPOYHZ-JOCHJYFZSA-N	567.571	2.795	0	40	KFAB	
CCOC(=O)c1ccc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H]5[C@@H]4Sc4[nH]c(=O)sc4C5(C)C)[C@H]3C2=O)cc1	101273406	CPTVKKABNVQKSK-HXOUQKOFSA-N	541.651	2.871	0	40	KFAB	
CC(=O)O[C@H](c1nc2ccccc2c(=O)n1[C@@H]1C[C@]2(OC1=O)c1ccccc1N1C(=O)[C@H](C)N(O)[C@H]12)C(C)C	105368785	HHNRKSWQUGTUBV-PEYHEJLLSA-N	532.553	2.806	0	40	KFAB	
COc1ccccc1N(CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)S(=O)(=O)c1ccccc1	215851254	OWPNMUHCCKRTET-UHFFFAOYSA-N	543.667	2.732	0	40	KFAB	
Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)N1C[C@H](C(=O)NCc2ccccc2)Oc2ccccc21	222794514	MCCFYRVCNPJHMU-HHHXNRCGSA-N	565.648	2.505	0	40	KFAB	
COc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c(OC)c1	224154352	NLVXQOJUFRMSDY-FQEVSTJZSA-N	519.664	2.968	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1	224211105	ZABNGACGLRPAKY-UHFFFAOYSA-N	558.000	2.570	0	40	KFAB	
CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1cc(S(=O)(=O)NC(C)C)ccc1OC	225442577	UZGAMGBDEFLJPE-FQEVSTJZSA-N	513.638	2.574	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	225475625	PQDQSHUPBVMPCU-WIYYLYMNSA-N	503.621	2.903	0	40	KFAB	
Cc1cccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NCCCN4CCOCC4)CC3=O)cc2)c1C	408574955	DTDQTQCJICEBTE-JOCHJYFZSA-N	508.619	2.512	0	40	KFAB	
COc1cc(C(=O)N2CCC(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2)cc(OC)c1OC	409051770	MYGFFASWUFVVAR-UHFFFAOYSA-N	525.602	2.638	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OCCn3ccnc3C)cc2)C[C@](O)(COc2ccc(C)cc2)C1	585273008	MMQFHEHRQVLQGM-GDLZYMKVSA-N	522.646	2.680	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OCCN3CCCC3)cc2)C[C@@](O)(COc2ccc(C)cc2)C1	585278785	ADFAYVMTNPZEAJ-LJAQVGFWSA-N	511.663	2.570	0	40	KFAB	
Cc1cc(OC[C@@]2(CC(=O)N3CCN(C)CC3)CN(C(=O)CC[C@@H]3CCCO3)CCO2)ccc1Cl	585285630	LWACPBCSCOORBW-HFZDXXHNSA-N	508.059	2.748	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(Cc3ccc4c(c3)OCO4)[C@H](C)C(=O)NC3CCCCC3)n2)cc1OC	886348	VZYLKIWYZAOHEA-GOSISDBHSA-N	550.616	2.952	0	40	KFAB	
COc1ccc(Br)cc1S(=O)(=O)N1CCN(S(=O)(=O)c2cc(Br)ccc2OC)CC1	11853144	CNBVSZPUHYZEIE-UHFFFAOYSA-N	584.308	2.924	0	40	KFAB	
CCN(CC)S(=O)(=O)c1cccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1	15978723	ONIQOWDWWXFVSY-UHFFFAOYSA-N	512.679	2.547	0	40	KFAB	
O=c1cc(CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nc2sc(-c3ccc(F)cc3)nn12	41085845	OFBWBNDHNSHJCT-UHFFFAOYSA-N	503.556	2.603	0	40	KFAB	
COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1OC	59838316	HUOCBCVITBCIQT-RUZDIDTESA-N	587.720	2.694	0	40	KFAB	
COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1)S(C)(=O)=O	60028896	WBKPWGXBCWDPGW-UHFFFAOYSA-N	554.050	2.961	0	40	KFAB	
CN1C(=O)N(C)C(=O)C(Cc2ccc(OC[C@@H](O)c3ccccc3)cc2)(CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)C1=O	70672287	VOYKGCIIGXHHRT-KSCKTEMCSA-N	584.673	2.659	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccc(C)cc5)sc4n3)CC2)cc1OC	102350039	UDJGXVUWMTUMGQ-UHFFFAOYSA-N	541.655	2.650	0	40	KFAB	
O=S(=O)(Nc1nc2ccccc2nc1Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc2c(c1)OCCO2	102923550	RRDXZIDFYJWFKN-UHFFFAOYSA-N	583.648	2.966	0	40	KFAB	
CO[C@H]1[C@@H](O)[C@H](C)O[C@@H](O[C@@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)[C@@H](OC(C)=O)C[C@@]5(O)[C@@H]4CC[C@@H]3C2)[C@H]1O	118931131	UZQOZJNEDXAJEZ-NUONQECMSA-N	592.726	2.652	0	40	KFAB	
O=C(O)CN(CC(=O)O)S(=O)(=O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)O	150472418	CCVBOSYUAXSKPF-UHFFFAOYSA-N	632.859	2.595	0	40	KFAB	
CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)Oc2ccc(Cl)cc21	216332136	KFEHNXFJZBQBKN-KRWDZBQOSA-N	529.021	2.763	0	40	KFAB	
Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)N1C[C@H](C(=O)NCCc2ccccc2)Oc2ccccc21	222814951	QLDULVYZOPIVJT-AREMUKBSSA-N	537.638	2.777	0	40	KFAB	
C[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	223124315	GSRPBOILMUALML-LJQANCHMSA-N	506.644	2.813	0	40	KFAB	
CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1	408925668	SFFHXKNBEFNEND-ARLGEPFESA-N	566.632	2.757	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)c(=O)n2[C@H]1c1ccccc1Cl	409012134	IYLQJXKDLCLWHR-WALVNQSHSA-N	582.078	2.689	0	40	KFAB	
CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(I)c(OCC(=O)OC)c(OC)c2)C1=O	409237099	IYELKWRXQVALTC-VCHYOVAHSA-N	593.374	2.945	0	40	KFAB	
COCC(=O)N1CCN(Cc2cccc(OCCN3CCCCC3)c2)C[C@@](O)(COc2ccc(F)c(F)c2)C1	585281283	YKMHMIGHHCMZIP-LJAQVGFWSA-N	547.643	2.930	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OC)c(OCCn3ccnc3C)c2)C[C@](O)(COc2cccc(F)c2)C1	585281878	RUEGYEIAICRRJE-GDLZYMKVSA-N	556.635	2.519	0	40	KFAB	
Cc1cc(OC[C@@]2(CC(=O)N(C)Cc3ccccc3)CN(C(=O)CN3CCN(C)CC3)CCO2)ccc1Cl	585285592	LUVSUDKFMOKAGZ-GDLZYMKVSA-N	543.108	2.921	0	40	KFAB	
Cc1csc(CCCNC(=O)[C@@H]2CC(=O)NC3(CCCC3)C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCCOc3ccccc3C(=O)N2)n1	643576027	DWRLUVBDONCITE-NSOVKSMOSA-N	688.851	2.744	0	40	KFAB	
O=C(Nc1cccc(C(F)(F)F)c1)N[C@H]1CO[C@@H]2[C@@H](n3nnnc3Oc3cccc(N4CCOCC4)c3)CO[C@H]12	4147781	KQJHEKYAHLUUAB-FNAHDJPLSA-N	561.521	2.850	0	40	KFAB	biogenic,in-vitro
COc1ccccc1NC(=S)NNC(=S)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl	12564277	FIMBLWVWGDIGIU-UHFFFAOYSA-N	516.070	2.558	0	40	KFAB	
COC(=O)c1c(COC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)nc2ccccc2c1C	13016969	PSRMVGISGXLNLS-UHFFFAOYSA-N	527.599	2.774	0	40	KFAB	
COc1ccc(NC(=O)[C@H](c2ccc(OC)cc2)N(Cc2ccco2)C(=O)C[C@H]2NC(=O)NC2=O)cc1	13146690	QYOLBTBPLYDETO-GGAORHGYSA-N	506.515	2.604	0	40	KFAB	
Cc1c(N(C)S(=O)(=O)c2cc(C(=O)NC[C@H]3CCCO3)ccc2Cl)c(=O)n(-c2ccccc2)n1C	23080627	WNSADOBEMSJIHN-LJQANCHMSA-N	519.023	2.872	0	40	KFAB	
Cn1c(=O)[nH]c(=O)c2c1nc(N1CCC(Cc3ccccc3)CC1)n2CCSc1nnnn1-c1ccccc1	97957497	LCSSXWGRQGEBHB-UHFFFAOYSA-N	543.657	2.650	0	40	KFAB	
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C(=S)NC(=O)c4cc(OC)c(OC)c(OC)c4)CC3)cc21	102452419	BPZDKPHATSGHLS-UHFFFAOYSA-N	572.615	2.721	0	40	KFAB	
CCc1cccc2c(C(=O)COC(=O)[C@@H](NC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)C(C)C)c[nH]c12	102778309	DNJXIWLXLYIHSB-VWLOTQADSA-N	555.653	2.932	0	40	KFAB	
CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NCCO)cc1	223018636	WBCMMUPXVYXJTG-MHZLTWQESA-N	537.682	2.666	0	40	KFAB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1CCCN1CCOCC1	223179033	CHUJTXKLJKCHIS-RRPNLBNLSA-N	526.751	2.917	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1	224421595	JHXJGKDGBHOTGU-UHFFFAOYSA-N	579.741	2.782	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)Oc3ccc(Cl)cc32)cc1	224477680	YZWQBZUMZOGPGS-MHZLTWQESA-N	636.148	2.821	0	40	KFAB	
CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	224928272	UECWFFOOEYFCOQ-JOCHJYFZSA-N	533.647	2.770	0	40	KFAB	
COc1ccc(CCNC(=O)[C@@H]2CC(=O)NC3(CCCC3)C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCCOc3ccccc3C(=O)N2)cc1	643576619	WUURYXQQOOUIKE-CONSDPRKSA-N	683.806	2.598	0	40	KFAB	
CCOC(=O)CCC(=O)O[C@@H]1[C@@H](N(C)C)C[C@@H](C)O[C@@H]1O[C@H]1[C@@H](C)[C@H](O[C@H]2C[C@](C)(OC)[C@@H](O)[C@H](C)O2)[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@@]1(C)O	1547138080	NSYZCCDSJNWWJL-YQEGSCGSSA-N	862.064	2.680	0	40	KFAB	
C[C@H](OC(=O)[C@H](C)Oc1ccc(-c2coc3cc(O[C@H](C)C(=O)O[C@H](C)C(=O)O)cc(O[C@H](C)C(=O)O[C@@H](C)C(=O)O)c3c2=O)cc1)C(=O)O	2060993797	ZQYXYHRZMDDTPS-XNIJUTNWSA-N	702.618	2.811	0	40	KFAB	
Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(O)cc2)c1	12473912	HWMVWOPGMJSTNB-RXVVDRJESA-N	509.588	2.522	0	40	KFAB	
CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)COC(=O)Cn1[nH]c(=O)c2ccccc2c1=O	12595478	LLESFIHOAMWAHK-UHFFFAOYSA-N	507.524	2.777	0	40	KFAB	
CCC[C@H](c1nnnn1CC(=O)OCC)N(Cc1ccco1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3	13499401	IPFKXVXFXCRWMR-OAQYLSRUSA-N	522.562	2.986	0	40	KFAB	
COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2c1	19360912	HSMUGBRKZIMTBE-RUZDIDTESA-N	531.617	2.914	0	40	KFAB	
CCOc1ccc2oc(C(=O)N(C)CC(=O)N(CC(C)C)c3c(N)n(CC(C)C)c(=O)[nH]c3=O)c(C)c2c1	32971936	LEKNYZSMALQUIV-UHFFFAOYSA-N	527.622	2.989	0	40	KFAB	
COc1ccc([C@@H](CNC(=O)[C@H](CCSC)NS(=O)(=O)c2ccc(C)cc2)N2CCOCC2)cc1	33026086	OGADJNZGDCMTKC-BJKOFHAPSA-N	521.705	2.593	0	40	KFAB	
COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1OCCOc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)OC	100926330	YGVNRJDECUGHMA-DNQXCXABSA-N	550.568	2.746	0	40	KFAB	
CCn1c(SCC(=O)N(C2CCCCC2)[C@@H]2CCS(=O)(=O)C2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	103123515	ZFWJZOOALCPGEN-HXUWFJFHSA-N	584.786	2.518	0	40	KFAB	
COC(=O)c1c(NC(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)cc(OC)c2OC)sc(C)c1Cc1ccc2c(c1)OCO2	150482953	SJNFULWZNCAQDM-UHFFFAOYSA-N	676.722	2.996	0	40	KFAB	
C[C@@H](C(=O)NCc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222700910	WRQGFZGKZBCKAJ-QHCPKHFHSA-N	551.665	2.820	0	40	KFAB	
Cc1ccc(S(=O)(=O)NCCNC(=O)COc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)cc1	222707635	QDOHPZMTBIMQAE-UHFFFAOYSA-N	543.667	2.610	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	223506257	TXRUIVRHDNTHKJ-LJQANCHMSA-N	522.643	2.781	0	40	KFAB	
COc1ccc(NC(=O)[C@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1S(=O)(=O)N1CCCCC1	224114968	KSRQCKOFVMXFPU-HNNXBMFYSA-N	531.603	2.941	0	40	KFAB	
C[C@@H]1C2=CC(=O)O[C@]2(O)C[C@@H]2[C@@H]1[C@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)[C@@]1(O)[C@@](C)(C(=O)O)[C@H](O)CC[C@]21C	253388448	WHOBGBIOIFGGMR-KOBBBWFLSA-N	620.651	2.878	0	40	KFAB	biogenic,in-vitro
CCOC(=O)C1=C(C)N=c2s/c(=C/[C@H]3C(=O)N(c4ccccc4)N=C3C)c(=O)n2[C@H]1c1ccc(F)cc1	409022067	IOKUHSJUOSUAIE-MWBOZUNASA-N	518.570	2.928	0	40	KFAB	
CC(C)CCNC(=O)[C@@H](c1ccncc1)N(C[C@H]1CCCO1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1	6076925	IOTOPIJDMFYUKE-ISKFKSNPSA-N	509.586	2.785	0	40	KFAB	
O=C(COc1ccccc1F)NCCn1ncc2c(=O)n(Cc3ccc(Br)cc3)cnc21	12071340	MMWPFAZUGSJNAF-UHFFFAOYSA-N	500.328	2.738	0	40	KFAB	
COC(=O)c1cc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)cc(C(=O)OC)c1	20008217	ZNDNFJSQIJIFIQ-JOCHJYFZSA-N	514.531	2.927	0	40	KFAB	
Cc1ccc(CN(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	20030688	ZMVZJHSTHDKLLC-UHFFFAOYSA-N	522.048	2.803	0	40	KFAB	
COc1ccc(CNC(=O)CC[C@@H]2N=C3c4ccccc4N=C(SCC(=O)NC[C@H]4CCCO4)N3C2=O)cc1	38150019	MKSDDXMMPLLTEO-OFNKIYASSA-N	549.653	2.779	0	40	KFAB	
CCOC(=O)CN1C(=O)[C@@]2(N[C@@H](CCSC)[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]32)c2ccccc21	98006116	JFSACOGEXOVPMC-GDNALLQQSA-N	528.030	2.976	0	40	KFAB	
Cn1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)n1	102920496	BPGCYRMNLGDCQN-UHFFFAOYSA-N	547.056	2.686	0	40	KFAB	
COc1cccc(NC(=O)CN(C)C(=O)c2cccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)c2)c1	103045043	DMBAWQAVFFBWNC-UHFFFAOYSA-N	536.654	2.912	0	40	KFAB	
COc1ccc(-c2coc3cc(O[C@@H]4O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]4OC(C)=O)cc(OC(C)=O)c3c2=O)cc1	150343764	XHCIZLWHEPIQDR-QGPAZHQZSA-N	656.593	2.856	0	40	KFAB	biogenic,in-vitro
COC(=O)[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3OC)CC2)c2ccccc2O1	222593954	NRXCDBXUABBBKF-HXUWFJFHSA-N	508.980	2.717	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1	223585634	CJONXCCEZPDKQH-KRWDZBQOSA-N	525.649	2.672	0	40	KFAB	
CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	224210823	NQQMSCKVHVNNTM-OAQYLSRUSA-N	503.621	2.823	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1	224350014	GEHMAEDHLLOTJJ-IBGZPJMESA-N	556.106	2.720	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2cccc(C(C)=O)c2)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C)cc1	224469536	YKENPDNQTMUPQQ-IBGZPJMESA-N	517.648	2.853	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	225448988	BIKNGNURCDIDKZ-WOJBJXKFSA-N	506.644	2.813	0	40	KFAB	
CCOC(=O)COc1c(/C=c2\sc3n(c2=O)[C@@H](c2ccc(F)cc2)C(C(=O)OCC)=C(C)N=3)cccc1OC	408801484	AYWDGNJCWOPBPQ-WNOSOOIWSA-N	554.596	2.888	0	40	KFAB	
O=C1c2ccccc2C(=O)N1CC(=O)N(CCc1c[nH]c2ccccc12)C1(C(=O)NCCCN2CCOCC2)CCCC1	575443659	GSDNGVBXWKJCIM-UHFFFAOYSA-N	585.705	2.987	0	40	KFAB	
COc1ccc(OCCN(C)C(=O)[C@@H]2CCC(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1	643580115	KUQFJBKEQBIIMF-VMPREFPWSA-N	616.715	2.690	0	40	KFAB	
CCCc1nnc(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)s1	2588276	NYZRSPZLABAXJJ-UHFFFAOYSA-N	536.499	2.566	0	40	KFAB	
CCOc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(Cc2cccs2)C(=O)c2snc(C(N)=O)c2N)cc1	6601446	PQHOVSWCDAXAFM-UTKZUKDTSA-N	543.671	2.963	0	40	KFAB	
COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(Cc2ccco2)C(=O)CNC(=O)c2ccco2)cc1OC	12485602	HTDCNYSXNWOXKA-CLOONOSVSA-N	525.558	2.685	0	40	KFAB	
CC[C@@H](c1nnnn1C[C@@H]1CCCO1)N(CCCN1CCOCC1)Cc1cc2cc(C)ccc2[nH]c1=O	13501187	LIFWRMHDMRWOSF-ZCYQVOJMSA-N	509.655	2.678	0	40	KFAB	
COc1ccc(Nc2nnc(-c3ccc(C)c(S(=O)(=O)NCCO)c3)c3ccccc23)cc1C(N)=O	17146684	XYIDDLMUWWVVTK-UHFFFAOYSA-N	507.572	2.727	0	40	KFAB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)C2CCCCC2)c(C)c1	20030902	FVBFGNNCLJMMEA-UHFFFAOYSA-N	507.678	2.899	0	40	KFAB	
Cc1ccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2c1C	22872778	HQNGPAHKWGDDQO-QDPGVEIFSA-N	557.655	2.946	0	40	KFAB	
O=C(NCCN1CCN(c2ccccc2F)CC1)c1ccc2c(=O)n(CCc3ccccc3)c(=O)[nH]c2c1	59523672	IFPLSJLYJAOEMU-UHFFFAOYSA-N	515.589	2.624	0	40	KFAB	
CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)ccc1OC	103013684	XRJAIYCSXUJMST-UHFFFAOYSA-N	546.067	2.652	0	40	KFAB	
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cccc(Cl)c3C)S(C)(=O)=O)cc2)n1	215913710	TWGJGBCIHUNPBJ-UHFFFAOYSA-N	524.024	2.952	0	40	KFAB	
Cc1ccc(S(=O)(=O)NCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4ccccc4c3)C2)cc1	222552296	FMGFDHCSIKVBOO-JOCHJYFZSA-N	515.657	2.644	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O	222748242	LLWGYENRDUCRCB-CQSZACIVSA-N	502.420	2.931	0	40	KFAB	
COc1ccc(CN(C(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)cc1	223087024	IROKWHSYRTWQAE-SFHVURJKSA-N	515.632	2.952	0	40	KFAB	
COCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O	223225878	MFZNRKAZSRZBOC-MUUNZHRXSA-N	567.708	2.860	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCCN(c3cc(C)cc(C)c3)S(C)(=O)=O)CC2)cc1	224510203	YENLVBWUGWHWTP-UHFFFAOYSA-N	507.678	2.691	0	40	KFAB	
CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O	224654576	SMCVFEDSOZEGJD-IBGZPJMESA-N	503.621	2.905	0	40	KFAB	
CC1CCC(N2CCN3C(=O)c4ccccc4OCC[C@@H]4CC[C@@H](NC(=O)C5CCOCC5)[C@@H](CNC(=O)[C@@H]3C2)O4)CC1	253400699	LMXOBLIMCOIEHF-PYLSPLMPSA-N	596.769	2.749	0	40	KFAB	
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(=O)[C@H](C)[C@H]2OC(=O)O[C@]12C	257493650	NKLGIWNNVDPGCA-OVMYSMQDSA-N	759.931	2.968	0	40	KFAB	biogenic
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cccc(OC)c4OC)c(=O)n32)cc1OCC	408934830	DGPHKFDEBLHROG-DZSAKIAFSA-N	524.595	2.833	0	40	KFAB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4ccc(OC(C)=O)cc4)c(=O)n32)cc1OCC	408949893	SOKATYSTHKPZET-JDQXFBDKSA-N	522.579	2.741	0	40	KFAB	
CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc(Cl)c1OCC(=O)O	409245182	OPYSSFHCHOOUPV-CXUHLZMHSA-N	503.895	2.742	0	40	KFAB	
Cn1cnnc1[C@@H]1CCCN(C(=O)CN2CCC3(CCCCc4ccccc4OCCNC3=O)CC2)C1	643558431	LGUHLZBUBRHHJB-HSZRJFAPSA-N	508.667	2.525	0	40	KFAB	
O=C1C[C@@H](C(=O)NCCc2ccccc2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCC2)N1	643576435	IZYIKXKEAWOPGW-KYJUHHDHSA-N	653.780	2.589	0	40	KFAB	
Cn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1ccc(S(=O)(=O)N2CCCC2)cc1	931275	PGGGZXNFFMHOHN-UHFFFAOYSA-N	515.617	2.769	0	40	KFAB	
O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccccc1	1333344	SMRYVDGDSBICPJ-UHFFFAOYSA-N	547.630	2.676	0	40	KFAB	
CCOC(=O)C1=C(N)n2c(s/c(=C\c3ccccc3F)c2=O)=C(C(=O)OC(C)C)[C@@H]1c1ccccc1F	1883835	QFMINWHYGKZMRD-QRRJMBGHSA-N	526.561	2.607	0	40	KFAB	
CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1	6122519	QUAFBWVFESCWPB-UHFFFAOYSA-N	530.676	2.641	0	40	KFAB	
CCOc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2cccs2)cc1	6601083	OWSHGOPRGFBOLM-OXJNMPFZSA-N	529.644	2.968	0	40	KFAB	
NS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc54)cc3)sc2c1	9404234	YBKLFOVTQIYEQJ-UHFFFAOYSA-N	514.610	2.947	0	40	KFAB	
O=C([C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	19860900	KVUQMEWVDFNNTQ-OAQYLSRUSA-N	520.051	2.955	0	40	KFAB	
O=C(c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1)N1CCN(C/C=C/c2ccccc2)CC1	66138869	YEDQZIOMEZEVTF-QPJJXVBHSA-N	534.476	2.941	0	40	KFAB	
CC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3nnc4n(CCC(C)C)c(=O)c5ccccc5n34)CC2)cc1	97981602	BWSBRQGNQHVKCJ-UHFFFAOYSA-N	536.658	2.799	0	40	KFAB	
CCC(C)(C)NC(=O)[C@H](c1cc(OC)c(OC)c(OC)c1)N(CCN1CCOCC1)C(=O)Cn1nnc2ccccc21	100355644	QPPLQSCJEJRZOU-MHZLTWQESA-N	582.702	2.664	0	40	KFAB	
Cc1nn2c(=O)c(C(c3ccc(Br)cc3)c3c(O)nc4sc(C)nn4c3=O)c(O)nc2s1	100547132	FRLXDIWVRYCPCT-UHFFFAOYSA-N	533.389	2.586	0	40	KFAB	
Cc1cccc(NS(=O)(=O)c2cccc(C(=O)OCC(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)c2)c1	103096666	CDASOOQFTMDHPT-UHFFFAOYSA-N	573.649	2.612	0	40	KFAB	
COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)NCCN3CCOCC3)c(=O)cc1[C@@H](NC(C)=O)CC2	108449945	ORTSQKLOQYRGEO-DEOSSOPVSA-N	582.698	2.504	0	40	KFAB	biogenic
NCCCC[C@H](N[C@H](CCc1ccccc1)C(=O)NCCCC[C@@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@@H]1C(=O)O)C(=O)N1CCC[C@@H]1C(=O)O	150338987	HLRMNXJOFRUYAM-RNWIJBBMSA-N	792.975	2.557	0	40	KFAB	in-vitro
COC(=O)[C@H]1CN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c2ccccc2O1	222714768	VWHCKJWOJMPAHN-JOCHJYFZSA-N	500.504	2.973	0	40	KFAB	
CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O	223411368	KSPXIMVNCWYRIF-QHCPKHFHSA-N	505.637	2.803	0	40	KFAB	
CC[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O	224256579	PFYVCDBXGRDOCO-NRFANRHFSA-N	532.084	2.639	0	40	KFAB	
CC[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O	224316772	KFOFBHDFAHPAQS-XMMPIXPASA-N	537.704	2.828	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NS(=O)(=O)c1nnc(NC(=O)c2cccc(C)c2)s1	225062835	UZVQBZYNEQUKDE-UHFFFAOYSA-N	537.645	2.693	0	40	KFAB	
CC(C)C(=O)Nc1nnc(S(=O)(=O)N(C)Cc2nc(-c3cccc(Br)c3)no2)s1	225261569	DYAMAYUUDVRGJH-UHFFFAOYSA-N	501.388	2.766	0	40	KFAB	
CN1CCN(C(=O)C[C@H]2CN(C(=O)c3cncs3)CC[C@@H]2Oc2cccc(Br)c2)CC1	257238368	HKQYNOCKRUCIDV-LPHOPBHVSA-N	507.454	2.979	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	260991357	QCHMQGGYVNCBDL-OALUTQOASA-N	522.643	2.779	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	261040138	YJYLHDNBCAFFDQ-MOPGFXCFSA-N	533.647	2.912	0	40	KFAB	
CCOc1c(Br)cc(C(c2c(O)n(C)c(=S)n(C)c2=O)c2c(O)n(C)c(=S)n(C)c2=O)cc1OC	409072012	RGDLGQFCDZVMHX-UHFFFAOYSA-N	585.502	2.981	0	40	KFAB	
CCOC(=O)Cn1cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)c2cc(Br)ccc21	409146372	SJLOZYCYYWGDIF-NVMNQCDNSA-N	536.404	2.862	0	40	KFAB	
COC(=O)c1ccc(Cl)c(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c1	409260847	XMIAGVSBVOBBLB-QHCPKHFHSA-N	578.068	2.829	0	40	KFAB	
NS(=O)(=O)c1cc(Cl)c(NC(=O)COC(=O)C[C@@H]2Sc3ccccc3NC2=O)c(Cl)c1	3435769	FCTWLZTZXGWHOM-AWEZNQCLSA-N	504.373	2.626	0	40	KFAB	
CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CO[C@@H]3[C@H](OC(=O)Nc4cccc(C(F)(F)F)c4)CO[C@H]23)cc1	4222885	DWNOXSOEUNDSLL-MTQWCTHYSA-N	529.493	2.726	0	40	KFAB	biogenic,in-vitro
Cc1ccc(C(=O)NCCc2nnc3ccc(SCC(=O)Nc4ccc5c(c4)OCCO5)nn23)cc1	9578469	WIMLUVIVXVBQCI-UHFFFAOYSA-N	504.572	2.907	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(S(=O)(=O)N4CCCC4)ccc3Cl)CC2)cc1	13674829	GAFDTJBAPNLPMJ-UHFFFAOYSA-N	512.053	2.580	0	40	KFAB	
COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2c1	19366624	HSMUGBRKZIMTBE-VWLOTQADSA-N	531.617	2.914	0	40	KFAB	
CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)CC1	59838754	IPNRVNYKYKUGHZ-UHFFFAOYSA-N	544.095	2.706	0	40	KFAB	
C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222857273	JXZPBPXSMNMJFC-NRFANRHFSA-N	613.664	2.688	0	40	KFAB	
C[C@H](C(=O)NCCO)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1	222864628	FKQQTOMEIIWLTF-GOSISDBHSA-N	547.580	2.670	0	40	KFAB	
COc1ccc(CN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)[C@@H](C)C(=O)NCc2ccco2)cc1	222937867	WZQFXMOIJZAAAL-FQEVSTJZSA-N	513.616	2.784	0	40	KFAB	
COc1cccc(N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c1	224088658	SEDTUBUZYDTFRL-FQEVSTJZSA-N	501.649	2.980	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)cc1	224214872	KWPXBKUKBXYXHO-UHFFFAOYSA-N	531.656	2.712	0	40	KFAB	
CC(C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O	225467962	CQPNSDILSAGTCM-IBGZPJMESA-N	503.621	2.903	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1	225522233	APBJSPOHPYJUJK-LJQANCHMSA-N	521.661	2.828	0	40	KFAB	
CCc1ccc(N([C@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)cc1	260888198	JXJALULZPMAGCY-HXUWFJFHSA-N	537.704	2.773	0	40	KFAB	
CCOC(=O)N1CCN(C(=O)COc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2C)CC1	408635992	NMEPSILXCIUQMX-UHFFFAOYSA-N	501.605	2.816	0	40	KFAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	409087637	JGAFTOPHZIIJJV-INJUALFYSA-N	524.643	2.780	0	40	KFAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(O)c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	409108144	VRIGHIHDXRLWNH-AQIZGWBQSA-N	567.664	2.844	0	40	KFAB	
CCOC(=O)COc1c(I)cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc1I	409146129	ROTNGGQRNDPTPE-VZUCSPMQSA-N	617.155	2.959	0	40	KFAB	
O=C(CNS(=O)(=O)c1ccc2c(c1)OCCO2)N1CCC2(CCCCc3ccccc3OCCCNC2=O)CC1	643560102	KQJLDJZTKMIZHH-UHFFFAOYSA-N	571.696	2.657	0	40	KFAB	
COc1cccc(CCNC(=O)[C@@H]2CCC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@H](C(C)C)COc3ccccc3C(=O)N2)c1	643571579	GQDNYMGZGDYIBQ-DTXPUJKBSA-N	630.742	2.899	0	40	KFAB	
O=C1NC2(CCOc3cc(-c4ccccc4)ccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(CC1CC1)CC2	1548888856	BDQWLKUETALFRQ-RPWUZVMVSA-N	525.671	2.621	0	40	KFAB	
O=C1N[C@@H]2CCN(C(=O)c3cnc4sccn4c3=O)C[C@@H]2CC=CCC2(CCOCC2)C(=O)N[C@H]1Cc1ccccc1	2037879943	YFZMDZBQDNQVFP-CAOCKLPOSA-N	589.718	2.577	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)C2)cc1	20031784	ITZGQPSZWIXOMT-QFIPXVFZSA-N	519.689	2.887	0	40	KFAB	
COc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1S(=O)(=O)N1CCCC1	20033202	LQPCXBSKZXWWOM-UHFFFAOYSA-N	521.661	2.584	0	40	KFAB	
COc1ccc(CCN(C)C(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)cc1OC	32720248	CRVZAUWHQXZHCK-UHFFFAOYSA-N	510.572	2.989	0	40	KFAB	
CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O	43947645	CBVCZFGXHXORBI-SQLLRNRGSA-N	613.803	2.867	0	40	KFAB	
Cc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@@H](C(=O)NC(C)(C)C)c3ccc(F)cc3)n2)o1	100275894	HVZWOEZEHAHMAM-XMMPIXPASA-N	541.628	2.588	0	40	KFAB	
CCCN1C(=O)/C(=c2\sc3n(c2=O)[C@H](c2ccc(OC)c(OC)c2)C(C(=O)OC)=C(C)N=3)c2ccccc21	100725623	MMKRVFRWAPOJQH-UGUGFTGJSA-N	533.606	2.552	0	40	KFAB	
COc1ccc(S(=O)(=O)NCc2nc3ccccc3n2S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC	102485717	JIEJLUBFQULVSU-UHFFFAOYSA-N	547.611	2.786	0	40	KFAB	
O=C(CN1C(=O)S/C(=C\c2cc(Br)cc(I)c2O)C1=O)N1CCOCC1	106692241	ANZGBUNFQFNBCC-SDQBBNPISA-N	553.172	2.654	0	40	KFAB	
CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cc(S(=O)(=O)NC)ccc2C)c(Cl)c1	222843614	QQVGJIVCCRFKHC-UHFFFAOYSA-N	504.030	2.652	0	40	KFAB	
COc1cccc(-c2noc(CN(C)S(=O)(=O)c3nnc(NC(=O)c4ccccc4C)s3)n2)c1	223102738	DGYGVOVGQOFUAH-UHFFFAOYSA-N	500.562	2.978	0	40	KFAB	
Cc1ccccc1S(=O)(=O)N1CCO[C@](COc2cccc(Cl)c2)(CC(=O)N2CCN(C)CC2)C1	257281297	OOMWAFAXWFLEDK-RUZDIDTESA-N	522.067	2.651	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(F)cc1	409152223	ANXBAYAVBSVGCQ-GKKFRVOYSA-N	609.676	2.574	0	40	KFAB	
CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)c2=O)=N1	409160026	SBJOJJHWUPFTMT-FABFSAKGSA-N	665.765	2.842	0	40	KFAB	
CC(=O)N[C@@H]1[C@H](Sc2nnc(COc3ccccc3C)n2-c2ccccc2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	504223144	OKYFYXJXMVBPKJ-GLOKNNJPSA-N	626.688	2.903	0	40	KFAB	biogenic
CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCOCc2ccccc2Cl)CC(=O)N[C@H](Cc2ccccc2)C1=O	643579099	QCIINLFBQALITE-RRPNLBNLSA-N	607.107	2.740	0	40	KFAB	
COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(F)cc2)cc1	7059772	GTGPROFXKUSQGC-GHTZIAJQSA-N	527.578	2.655	0	40	KFAB	
O=C(c1ccc(-n2cnc3ccccc3c2=O)cc1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1	32740930	OSXIPCOQCQTINH-UHFFFAOYSA-N	510.522	2.811	0	40	KFAB	
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)[C@H](C)CC)C(=O)O	70705036	ZADGHZJEVVLUPY-HIKRFXOYSA-N	536.629	2.620	0	40	KFAB	biogenic
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccccc43)c(=O)n2[C@H]1c1ccccc1OC(C)C	96265824	YGJHNFUFHPZEBU-VFJWVMJUSA-N	503.580	2.908	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl	224306997	DCGILBRFMFEVDY-UHFFFAOYSA-N	542.079	2.718	0	40	KFAB	
COc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)cc1OC	260931990	XCHGYAALZKSTDR-GOSISDBHSA-N	523.627	2.798	0	40	KFAB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(OC)c(O)c(OC)c4)c(=O)n32)cc1OCC	408933354	IUUSVJALEVCJPK-TYBHGIAWSA-N	540.594	2.538	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409036542	LMZMNIFHKRETAT-SCRHHBKZSA-N	566.632	2.757	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(CC(=O)N4CCOCC4)c4ccccc34)c(=O)n2[C@@H]1c1ccccc1OC	409153180	LBFLCUSRYDNROZ-RGDUZTMSSA-N	600.697	2.620	0	40	KFAB	
O=C(NC[C@@H]1C=CS(=O)(=O)C1)Nc1ccc(-c2ccc(NC(=O)NC[C@H]3C=CS(=O)(=O)C3)cc2)cc1	575424668	VEWGPKGDZKGEIN-HDICACEKSA-N	530.628	2.713	0	40	KFAB	
Cc1ccccc1CC(=O)N1CCCCC2(CCN(Cc3ccccn3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1	643578364	AGWYTRIMORSOIV-RRPNLBNLSA-N	523.674	2.883	0	40	KFAB	
COc1ccc(C)c(NC(=O)CN2CCC[C@]3(CC=CCOc4ccccc4C(=O)NCCNC3=O)C2)c1	2037879844	TWSQLGKWCFIBRB-GDLZYMKVSA-N	520.630	2.909	0	40	KFAB	
Cc1c(-n2c(SCC(=O)NCC(F)(F)F)nc3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C	3356054	LTBNIZLBTUJECG-UHFFFAOYSA-N	503.506	2.954	0	40	KFAB	
CCSc1nnc(NC(=O)CSc2nc(-c3ccc(F)cc3)nc3c2c(=O)n(C)c(=O)n3C)s1	11758204	LLBOBDMPKTXPAP-UHFFFAOYSA-N	519.609	2.528	0	40	KFAB	
Cc1cc(C)cc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(O)cc2)c1	12474031	UBXXNLUAACSIEY-SIKLNZKXSA-N	523.615	2.830	0	40	KFAB	
O=C(COC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)NC(=O)NC1CCCC1	12543058	RKFNFVQEMPTSJT-UHFFFAOYSA-N	506.408	2.706	0	40	KFAB	
O=S(=O)(NC[C@H]1CCCO1)c1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1	12876965	DIGPSOHIXOGXTI-GOSISDBHSA-N	504.634	2.589	0	40	KFAB	
CC[C@H](c1nnc(SCC(=O)Nc2cccc(S(N)(=O)=O)c2)n1-c1ccc(OC)cc1)N(C)C	13135813	KUHJPOYFCFFCCP-LJQANCHMSA-N	504.638	2.667	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(OCC)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	59418448	DLHLCECUVNQYJM-MFUBYVTQSA-N	524.595	2.920	0	40	KFAB	
COC1=C[C@]23CCCN2CCc2cc4c(cc2[C@]3(C)[C@H]1OC(=O)[C@@](O)(CCCC(C)(C)O)CC(=O)O)OCO4	59817095	DJIVDDPFKDEQIR-PAHDPSBJSA-N	545.629	2.666	0	40	KFAB	biogenic,investigational
Cc1c2c(cc(=O)n1N1CCOCC1)[C@H](C(=O)Nc1ccc(F)cc1)NN(c1nc3ccccc3s1)C2=O	98042797	YCUOSNGYEJYAGN-HSZRJFAPSA-N	534.573	2.719	0	40	KFAB	
Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccccc1C(=O)OCC(=O)N(C)[C@@H]1CCS(=O)(=O)C1	103090068	COGOLLZWRSVOQO-LJQANCHMSA-N	536.672	2.896	0	40	KFAB	
Cc1ccccc1NC(=O)COC(=O)CN1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccccc3C)cc2C1=O	103258507	PKZXTAOIRJXSMR-UHFFFAOYSA-N	543.532	2.877	0	40	KFAB	
CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC[C@@H]2CCCO2)cc1	222871553	DZNKGZPPXDIWIS-XXBNENTESA-N	519.639	2.769	0	40	KFAB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1CCCN1CCOCC1	223135539	DKVKVEMYMFSVPG-CLJLJLNGSA-N	512.724	2.527	0	40	KFAB	
CCCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	224059149	HOLAEIHBMHMZJR-HSZRJFAPSA-N	531.675	2.990	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1F)S(C)(=O)=O	225452435	VRPDCADINJGQQS-AWEZNQCLSA-N	500.390	2.518	0	40	KFAB	
COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@](COc3ccccc3)(CC(=O)N3CCN(C)CC3)C2)c1	257303479	SHKYRRNWJRYKLM-HHHXNRCGSA-N	531.675	2.718	0	40	KFAB	
CCc1ccccc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@H](C)C(=O)NC)S(C)(=O)=O	260751918	DFEKIDSRMPIYES-MRXNPFEDSA-N	510.454	2.941	0	40	KFAB	
Cc1cc(Br)ccc1NC(=O)COc1ccc(N2C[C@H](C(=O)NC[C@H](C)O)CC2=O)cc1	408575762	FSKMMSIRHRRJJO-JKSUJKDBSA-N	504.381	2.625	0	40	KFAB	
CS(=O)(=O)N(CCCC(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1ccc2c(c1)OCO2	408703761	GUYYVLAQHCFOQE-SFHVURJKSA-N	503.577	2.509	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(=O)OC)cc3)c(=O)n2[C@H]1c1ccccc1OCC	408739038	RWRZNXUQTQXEAE-RNHBDSLOSA-N	506.580	2.984	0	40	KFAB	
Cc1nc2ccc(C(=O)N3CCCCC4(CCN(Cc5ccccn5)CC4)C(=O)OC[C@@H](O)[C@@H](O)CC3)cc2[nH]1	643580403	GRWQHMCMGJBIGD-RRPNLBNLSA-N	549.672	2.830	0	40	KFAB	
Cc1cc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)O)nc(C2CCNCC2)n1	2037879549	CZLDDDRAECGHCI-ZEQRLZLVSA-N	509.651	2.528	0	40	KFAB	
CC(=O)Nc1cccc(NC(=O)CN2CCC[C@]3(CC=CCOc4ccccc4C(=O)NCCNC3=O)C2)c1	2037879719	MLRBIKVIEKOUOG-GDLZYMKVSA-N	533.629	2.551	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCCO4)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	680294	LCBCLAOKKZZQCE-RWTNITNYSA-N	522.579	2.587	0	40	KFAB	
NC(=O)N[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1	5179654	NGOXGWUANSSZOJ-BXXSPATCSA-N	504.495	2.688	0	40	KFAB	
COC(=O)C1=C(C(=O)c2ccc(Br)cc2)[C@@H](c2ccc(OC)c(OC)c2)n2nnnc2N1	10232009	DLNMCVQSEJTKCN-GOSISDBHSA-N	500.309	2.778	0	40	KFAB	
Cc1ccc(NC(=O)COC(=O)Cc2ccc(Br)cc2)cc1S(=O)(=O)N1CCOCC1	12533417	OCWCTBNMAYINON-UHFFFAOYSA-N	511.394	2.503	0	40	KFAB	
COC(=O)[C@H](C)Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1-c1ccc(F)cc1	13113255	SPSFRIHBHWWORM-HNNXBMFYSA-N	506.581	2.748	0	40	KFAB	
COc1cccc(C[C@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)c1	13565612	QJVUMYXGRXDXPO-NRFANRHFSA-N	527.565	2.731	0	40	KFAB	
Cc1nc2c(C)cccn2c(=O)c1Cc1nnc(SCC(=O)N[C@@H](C)c2nc3ccccc3[nH]2)n1C	41078204	KYJCTGIMOQSOAV-INIZCTEOSA-N	502.604	2.876	0	40	KFAB	
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	97957254	TYQXKHPOXXXCTP-CCGMVTRHSA-N	790.001	2.747	0	40	KFAB	biogenic
COc1ccc(CCN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@@H]2CCCO2)c2cccnc2)cc1OC	100337237	RNDMYLUYBGGLHF-IADCTJSHSA-N	558.639	2.951	0	40	KFAB	
CCOC(=O)c1c(NC(=O)COC(=O)CCNS(=O)(=O)c2ccc(OCC)cc2)sc(C(C)=O)c1C	103060832	VIQWFUXASKLNAP-UHFFFAOYSA-N	540.616	2.685	0	40	KFAB	
CCOC(=O)CC[C@H](NC(=O)c1ccc(N(C)Cc2ccc3nc(C)[nH]c(=O)c3c2)s1)C(=O)OCC	104822196	MMEWNGFFTNKUFD-IBGZPJMESA-N	514.604	2.934	0	40	KFAB	
COC(=O)COC(=O)[C@@H](Cc1ccc(OC(=O)COCc2ccccc2)cc1)NC(=O)COCc1ccccc1	113548147	RURKDMOGLQSIHH-AREMUKBSSA-N	549.576	2.769	0	40	KFAB	
CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	224298731	GKYNROZTANREGS-QGZVFWFLSA-N	507.584	2.510	0	40	KFAB	
CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCCN3CCOCC3)c(Cl)c2)cc1	408635705	HNPPPHUJBDXIQV-UHFFFAOYSA-N	512.028	2.757	0	40	KFAB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4ccc5c(c4)OCCO5)c(=O)n32)cc1OCC	408935425	DUAGDYOLSJOFLI-NXAROGRYSA-N	522.579	2.587	0	40	KFAB	
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)N[C@@H]3CCS(=O)(=O)C3)C(C)C)c(=O)cc1[C@H](NC(C)=O)CC2	1565538070	RAIQXJQXNGXAAS-ZHCYEPILSA-N	601.722	2.603	0	40	KFAB	biogenic
CCn1cc(NC(=O)CN2CC[C@H]3NC(=O)[C@@H](Cc4ccccc4)NC(=O)C4(CC=CC[C@H]3C2)CCOCC4)c(C)n1	2037879260	JTKPSVLOJHWYOS-OYUWMTPXSA-N	576.742	2.831	0	40	KFAB	
O=C([C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc2c(c1)OCCO2)N1CCN(Cc2ccccc2)CC1	3259073	ZINICTBKMQJZOD-SANMLTNESA-N	533.650	2.918	0	40	KFAB	
C[C@@H]1Cc2cc(S(=O)(=O)N3CCOCC3)ccc2N1S(=O)(=O)c1ccc(Br)cc1	10119324	UURPHDOSFJWGGT-CQSZACIVSA-N	501.424	2.610	0	40	KFAB	
COc1ccc(C(NC(=O)CSC2=NCCS2)NC(=O)CSC2=NCCS2)cc1OC	12042523	WVADYDKMSUCXSW-UHFFFAOYSA-N	500.693	2.607	0	40	KFAB	
CSCC[C@@H](NC(=O)c1ccccc1C)C(=O)OCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O	14356826	QRAFNBOEUSAOEI-OAQYLSRUSA-N	510.616	2.826	0	40	KFAB	
COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NC(=S)N4CCN(C)CC4)c3n2)cc1OC	19899406	UGASJNQOOKJMIT-UHFFFAOYSA-N	508.526	2.694	0	40	KFAB	
Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)N(CC(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	38150086	RYXAGMGRJCPFOI-UHFFFAOYSA-N	531.569	2.977	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc2nnn(OCC(=O)N3N=C(c4ccc(Cl)cc4)C[C@@H]3c3ccco3)c2c1	103052219	YZGRGHBDSZIAAB-OAQYLSRUSA-N	528.978	2.735	0	40	KFAB	
CCOC(=O)C1=C[C@@H]2C=C[C@H]([C@@H]1C(=O)OCC)[C@H]1C(C(=O)OCC)=C(C(=O)OCC)C(C(=O)OCC)=C(C(=O)OCC)[C@]21OCC	150706247	RXNVFICWEXYGQG-MXFWYPNLSA-N	646.686	2.722	0	40	KFAB	
C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1nc(-c2cccc(Br)c2)no1	222871603	DFOCZMFVYOWQAC-ZDUSSCGKSA-N	509.382	2.979	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1	222915648	QKUMIBJVZXASOF-UHFFFAOYSA-N	517.655	2.507	0	40	KFAB	
COc1cccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)c1	224206238	IOBBDFFTWUHJDR-UHFFFAOYSA-N	561.682	2.644	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O	225390925	NSROSKIUVRBOLB-AWEZNQCLSA-N	502.420	2.931	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1	226078085	KNXRQWXUSKJAMY-INIZCTEOSA-N	500.042	2.938	0	40	KFAB	
O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	408559012	UAOWZEFYHJLXEP-UHFFFAOYSA-N	535.622	2.890	0	40	KFAB	
COc1cc(OC)cc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3ccc(Cl)cc3Cl)CC2=O)c1	408662073	WXPNCECHWMNTSA-ZDUSSCGKSA-N	510.330	2.686	0	40	KFAB	
O=C(CN1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1)NCCc1c[nH]c2ccccc12	1889280230	QFXSLFMTGPMEFY-UHFFFAOYSA-N	509.610	2.894	0	40	KFAB	
Cc1ccc2c(c1)OCCCNC(=O)C1(CCCCNC2=O)CCN(C(=O)CCn2nc(C)nc2C)CC1	2037884048	PTKDEZDTONYMCA-UHFFFAOYSA-N	524.666	2.701	0	40	KFAB	
COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCCC3)cc1	4177367	YNDCIGVPNHQHLU-UHFFFAOYSA-N	509.650	2.652	0	40	KFAB	
COc1cccc(N2CCN([C@@H](c3cc4cc5c(cc4[nH]c3=O)OCO5)c3nnnn3C(C)(C)C)CC2)c1	20084250	RRUGIOMRNRYKMO-DEOSSOPVSA-N	517.590	2.919	0	40	KFAB	
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3ccc(F)cc3)S(C)(=O)=O)cc2)n1	20485724	QSKCQLIVEVOSSA-INIZCTEOSA-N	521.596	2.827	0	40	KFAB	
CCOC(=O)c1oc2cc(O[C@@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)ccc2c(=O)c1-c1ccc2c(c1)OCCO2	79183272	CONXBBMDYHPWGK-DMIMODDUSA-N	698.630	2.870	0	40	KFAB	
COc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1OC	103087991	UDJKGILYCPTMOX-LGMDPLHJSA-N	556.575	2.758	0	40	KFAB	
CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	223432686	RLLHOJQKHCIPEQ-HSZRJFAPSA-N	523.586	2.746	0	40	KFAB	
CC(C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225697326	BXCNHVCMBZHEJN-NRFANRHFSA-N	531.675	2.988	0	40	KFAB	
COC(=O)/C=C/[C@]12COC(C)(C)[C@@H]1[C@H](O)[C@H](OC(C)=O)[C@]1(C)[C@@H]2CC[C@]2(C)[C@H](c3ccoc3)OC(=O)[C@@H]3O[C@]312	252507093	XWOZTQQJYJMHSX-JGDIWHFFSA-N	544.597	2.885	0	40	KFAB	biogenic,in-vitro
CO[C@H](/C=C/CC/C=C/C(=O)O)[C@H](O)[C@H](C)[C@H](O)/C(C)=C/[C@@H](C)C(=O)CCCC1CC(=O)NC(=O)C1	253389715	YQDJUXPUIRGKNV-RUWIIXPZSA-N	507.624	2.711	0	40	KFAB	biogenic,in-vitro
CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2[C@@H](O)C[C@@]3(C)[C@H]4C[C@@H](O)[C@H]5C(C)(C)[C@H](O[C@H]6OC[C@@H](O)[C@@H](O)[C@H]6O)CC[C@@]56C[C@@]46CC[C@]23C)O1	257199186	VXHVFDQYSSFKAR-QYUKTFDQSA-N	622.840	2.900	0	40	KFAB	
Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1C(=O)N(CC(=O)O)Cc1cccc(F)c1F	257262042	LJUSIZRXMAOXSR-UHFFFAOYSA-N	505.522	2.847	0	40	KFAB	
O=c1[nH]c2cc3c(cc2cc1CN(Cc1ccc(F)cc1)Cc1nnnn1C[C@@H]1CCCO1)OCCO3	1373818	USOBIOPFLHUHSN-NRFANRHFSA-N	506.538	2.806	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)O)cc3)c(=O)n2[C@@H]1c1ccc(SC)cc1	2049562	RAHUOJTWCHPLKH-JPFXZVHCSA-N	524.620	2.984	0	40	KFAB	
O=C(CNc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1CCCO1)Nc1ccc(F)c(F)c1	12521678	VEIPFOXKDZCTSO-QGZVFWFLSA-N	510.563	2.627	0	40	KFAB	
O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccc(F)cc2)CC1)Nc1cc(Cl)cc(Cl)c1	19961920	CIDFZDZWNPRQIX-OAQYLSRUSA-N	522.408	2.610	0	40	KFAB	
CC(=O)O[C@H]1C[C@@](C)(O)[C@@H]2CC=C(C)[C@@H]2[C@H]2OC(=O)[C@]3(C[C@@]45C=C[C@]3(C)[C@@H]4[C@H]3OC(=O)[C@@H](CN4CCOCC4)[C@@H]3CC[C@@]5(C)O)[C@H]12	70697693	CBJPQVLGEQCRAI-VEMKZOCKSA-N	639.786	2.800	0	40	KFAB	biogenic
CC[C@@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@H](C(=O)O)c1ccccc1	70705286	HFWGWXQAJGIMAV-NEOYCHAESA-N	556.619	2.947	0	40	KFAB	biogenic
Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]3CCCN3C(=O)OCc3ccccc3)ccc12	71788389	MRWFGPIAYNMAKZ-GOTSBHOMSA-N	562.627	2.589	0	40	KFAB	
CC[C@H](C(=O)N[C@H]1C(=O)N2C(C(=O)O)=C(CSc3nnc(C)s3)CS[C@H]12)n1nc(C)c(Cl)c1C	97947834	ZJZIJNIHLGQSQC-UVBSCNOISA-N	543.096	2.795	0	40	KFAB	
COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(-n3cnnn3)c(OC)c2)cc1OC	100335707	VUQCPGPFURAGCG-YKGWIAGDSA-N	627.662	2.503	0	40	KFAB	
O=C1S/C(=C/c2cccs2)C(=O)N1CCNC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	102972093	ZJNJALTYBNMDTG-NBVRZTHBSA-N	538.698	2.792	0	40	KFAB	
CN(C)S(=O)(=O)c1cc(NC(=O)COC(=O)[C@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)ccc1Cl	103067942	UVIJDZIABIWITF-JPYJTQIMSA-N	556.037	2.802	0	40	KFAB	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3nc4ccc(Cl)cc4n3CCO)n2N)c1	103104316	YWFBKTJRLMBVMH-UHFFFAOYSA-N	536.083	2.977	0	40	KFAB	
CC(C)(C)c1nnc(Nc2ccc(Oc3ccc(Nc4nnc(C(C)(C)C)c(=O)n4N)cc3)cc2)n(N)c1=O	103525463	XIKQTZLLTSSYJO-UHFFFAOYSA-N	532.609	2.892	0	40	KFAB	
COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1I	139675332	MIWMIMZSIBNALO-UHFFFAOYSA-N	546.368	2.691	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O	223786478	KKQYWUFZLOOGLE-OAHLLOKOSA-N	514.417	2.908	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O	224002912	KGIXKJYQLUCMPK-IBGZPJMESA-N	505.637	2.803	0	40	KFAB	
COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)c2ccccc2O1	226083074	GSGSNVDPHNQJHD-QRWLVFNGSA-N	523.405	2.817	0	40	KFAB	
COC(=O)COc1cc(Br)c(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc1OC	409228909	HACQKUBNGKRIBV-LZYBPNLTSA-N	548.346	2.550	0	40	KFAB	
COC(=O)c1ccccc1NC(=O)[C@H](OC(=O)c1ccc(OC(C)=O)c(OC)c1)[C@@H](OC(=O)c1ccc(OC(C)=O)c(OC)c1)C(=O)O	409383506	WBICTHMRHGOEAE-KAYWLYCHSA-N	667.576	2.815	0	40	KFAB	
CCOc1ccc(CCCNC(=O)[C@@H]2CC(=O)N[C@@H](CC(C)C)C(=O)NCCCOc3ccccc3C(=O)N2)cc1OC	643566062	VBFAOLIUCWQJSJ-DQEYMECFSA-N	596.725	2.761	0	40	KFAB	
COc1cccc(CN2CCN(CC(=O)N3CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)CN(C(=O)c4ccccc4F)C[C@H]3CC(C)C)CC2)c1	643586720	XNXNEDWIYSPBQR-YBAUYUGWSA-N	686.866	2.885	0	40	KFAB	
O=C(c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)N1CCN(c2ncnc3sc4c(c23)CCCC4)CC1	1332400	HZBUAHOMKOCWDN-LJQANCHMSA-N	541.699	2.990	0	40	KFAB	
CCOc1ccc(CCn2c3c(c(=O)[nH]c2=O)[C@@](NC(=O)c2ccccc2)(C(F)(F)F)C(=O)N3)cc1OCC	2192589	KYIYEKZGARHELC-VWLOTQADSA-N	546.502	2.716	0	40	KFAB	
CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)/C=C/c2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)c1C	3376137	XILWWXVZJWGCTA-LQYUOIDQSA-N	511.984	2.765	0	40	KFAB	
CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@@H]3N(C)C2)O[C@@]2(O)[C@H]3CCCN3C(=O)[C@@H](Cc3ccccc3)N2C1=O	3947494	DEQITUUQPICUMR-KTWGCUQZSA-N	611.743	2.717	0	40	KFAB	
CN(C(=O)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCC3)[C@H]1CCS(=O)(=O)C1	9003939	IKNNFNMJWOMIKS-KRWDZBQOSA-N	517.698	2.927	0	40	KFAB	
Cc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)S(C)(=O)=O)cc1	44843083	ZIEOWRISPWZPBS-QGZVFWFLSA-N	503.606	2.687	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	222584149	QIGZXXXTLMPRAD-HSZRJFAPSA-N	523.586	2.746	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)Nc1cccc(N(C)S(C)(=O)=O)c1	223272257	LVVOACPBLFRIPO-UHFFFAOYSA-N	509.650	2.837	0	40	KFAB	
COc1ccc(CNC(=O)[C@@H](c2ccccc2)N(Cc2ccc(OC)cc2)C(=O)CN(C)S(C)(=O)=O)cc1	223538137	PVUWGRDEBUXJMQ-HHHXNRCGSA-N	539.654	2.982	0	40	KFAB	
CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	224166966	UKNGFVYDGXLWPC-QFIPXVFZSA-N	517.648	2.866	0	40	KFAB	
CN1CCN(C(=O)C[C@@]2(COc3cccc(Cl)c3)CCCN(C(=O)CN3CCCCCC3=O)C2)CC1	257207041	BGCCBWSUTABZQV-MHZLTWQESA-N	519.086	2.894	0	40	KFAB	
COc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)ccc1OCc1ccc(I)cc1	408595488	XCTOETVXLSUIBD-OVCLIPMQSA-N	508.268	2.856	0	40	KFAB	
CC[C@H](C)[C@@H]1NC(=O)C[C@@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)NC(=O)c2ccccc2OCCN(C)C1=O	643565278	ASAPHKGGBDWSFY-QLADTWODSA-N	596.700	2.561	0	40	KFAB	
COc1cccc(CCNC(=O)[C@@H]2CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCCOc3ccccc3C(=O)N2)c1	643576255	SKWWATJDSHJBJZ-CPCREDONSA-N	685.822	2.700	0	40	KFAB	
CC(C)[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCC2CC2)CCC(=O)N(Cc2ccccc2)CC(=O)N1	643577867	HPURPGKIDDXKNA-LOSJGSFVSA-N	534.657	2.653	0	40	KFAB	
CCOC(=O)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	675082818	NSYZCCDSJNWWJL-FLWLGJRHSA-N	862.064	2.680	0	40	KFAB	
O=C1NC2(CCOc3cc(-c4ccccc4)ccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(Cc1ccncc1F)CC2	1548889530	HMBZGHHHTWUGAZ-RSXGOPAZSA-N	580.682	2.945	0	40	KFAB	
O=C1N[C@@H]2CCN(CC(=O)N3CCCCC3)C[C@@H]2CC=CCC2(CCOCC2)C(=O)N[C@@H]1Cc1ccccc1	1615125662	GDWRQWZLMFACHV-OYUWMTPXSA-N	536.717	2.680	0	40	KFAB	
Cc1cccc(-n2c(SCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)nc3ccccc3c2=O)c1	13112517	DQCBNRSFKCQISJ-UHFFFAOYSA-N	508.625	2.793	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCNS(=O)(=O)c1ccc(C)c(C)c1	14359655	HMETWQZJVWUUTK-UHFFFAOYSA-N	509.650	2.794	0	40	KFAB	
O=C(NCc1ccc(CN2CCOCC2)cc1)c1ccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1	60061145	PUQDKSDEYOPOTQ-UHFFFAOYSA-N	548.709	2.955	0	40	KFAB	
CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(=O)c(-c4cscn4)c(C)oc3c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	70665835	QLPBVUOEXHYSIY-BYBMWWPSSA-N	589.575	2.687	0	40	KFAB	biogenic
NS(=O)(=O)c1ccc(NC(=O)[C@@H]2Sc3[nH]c(=O)sc3[C@@H]3c4cc(Br)ccc4OC(=O)[C@H]32)cc1	100912557	GVXFLXRNUUZJOC-RBSFLKMASA-N	568.452	2.626	0	40	KFAB	
CCOC(=O)C1=c2s/c(=C/c3ccc(OC)cc3)c(=O)n2C(N)=C(S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(OC)cc1	102649823	NWTJMCVDWNDDAQ-GBOLQPHISA-N	604.706	2.826	0	40	KFAB	
CCN(C(=O)CSc1nnc(-c2nn(Cc3ccccc3)c(=O)c3ccccc23)o1)[C@@H]1CCS(=O)(=O)C1	103137529	DPIBFRLUDUQOBZ-GOSISDBHSA-N	539.639	2.623	0	40	KFAB	
CCOC(=O)C1=C[C@@H]2C=C[C@@H]([C@H]3C(C(=O)OCC)=C(C(=O)OCC)C(C(=O)OCC)=C(C(=O)OCC)[C@]23OCC)[C@H]1C(=O)OCC	150706245	RXNVFICWEXYGQG-FKPSCVOTSA-N	646.686	2.722	0	40	KFAB	
CCOCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O	222862208	KPGXBUXURXHSSO-HXUWFJFHSA-N	507.628	2.547	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	222904873	VHELVJZVAVRBIA-INIZCTEOSA-N	512.028	2.677	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	223450257	FVJREQOUBUAVDL-GOSISDBHSA-N	519.620	2.524	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)N(C)Cc1nc(-c2ccccc2C)no1	225549157	NISICTJGHPCFLR-UHFFFAOYSA-N	514.604	2.666	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(=O)OC)cc3)c(=O)n2[C@H]1c1cccc(OC)c1OCC	408913874	UTVSFJVXVDEBBR-QFVBLGFASA-N	536.606	2.992	0	40	KFAB	
CCOc1c(OC)cccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccccc3)c(=O)n21	409012080	HMEIFQLRUWSOBQ-BTZCDPCDSA-N	508.596	2.832	0	40	KFAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N2CCN(Cc3ccc(F)cc3)CC2)CC(=O)N[C@@H](Cc2ccccc2)C1=O	643582524	GBZRCIXPDMJORT-KYJUHHDHSA-N	629.733	2.627	0	40	KFAB	
O=C(CN1CCC[C@@]2(CC=CCOc3ccccc3C(=O)NCCNC2=O)C1)Nc1ccnn1C1CCCC1	2037879843	SZIKVSWMFHSBKX-LJAQVGFWSA-N	534.661	2.904	0	40	KFAB	
CC(=O)c1cccc(N[C@@H](NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)C(Cl)(Cl)Cl)c1	956030	JJCGDYMYRSCXIQ-SFHVURJKSA-N	504.779	2.958	0	40	KFAB	
O=Cc1ccc2c(c1)OCCOCCOCCOc1cc(C=O)ccc1OCCOCCOCCO2	8892801	LONBQJZWQFAIKM-UHFFFAOYSA-N	504.532	2.607	0	40	KFAB	
Cn1c(=O)c2c(nc3n2[C@@H](c2ccccc2)C(c2ccc(-c4ccccc4)cc2)=NN3CCO)n(C)c1=O	9464607	IKSDUKPOMOIEQS-DEOSSOPVSA-N	506.566	2.907	0	40	KFAB	
O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)NCc1ccc(S(=O)(=O)N2CCCC2)cc1	59851791	KPTNYHUPHIICEX-UHFFFAOYSA-N	529.640	2.967	0	40	KFAB	
CC(=O)N[C@H]1[C@H](Sc2nnc(-c3ccccc3)n2C2CCCC2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	70712163	UXKUGZQSJSOUCD-YLLXKFEGSA-N	574.656	2.808	0	40	KFAB	biogenic
COc1ccc(C[C@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3cccc4ccccc34)CC2)c(OC)c1	100472088	GWHLFCQUHIHWNM-VWLOTQADSA-N	539.654	2.874	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@@H](NC(=S)Nc2ccc(Oc3ccccc3)cc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	101462054	RPGZUPIDELFEPL-QJJBCJIQSA-N	574.608	2.848	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccc(C)cc2)cc1	224444935	XTJILCKVDLRCSZ-UHFFFAOYSA-N	617.746	2.805	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	225585355	PELPBGGBGZQYJS-HSZRJFAPSA-N	505.596	2.526	0	40	KFAB	
COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC	225864064	XHQWQKFLDSOUGK-UHFFFAOYSA-N	539.676	2.700	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)c2ccccc2)cc1OC	408629775	HSHZNMSYBHJZFH-UHFFFAOYSA-N	510.572	2.728	0	40	KFAB	
CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(OCC(=O)N5CCOCC5)c(OC)c4)c(=O)n32)cc1	409173202	HNISOTCKKQFVIQ-FWESEHMYSA-N	635.739	2.832	0	40	KFAB	
CC(=O)OCC(=O)N1CCCC[C@H]1C(=O)N1CCC(c2nc(C)cc(Nc3ncc(C)s3)n2)CC1	585263587	QNFOAQMKTFLGNX-IBGZPJMESA-N	500.625	2.944	0	40	KFAB	
COCC(=O)N1CCN(Cc2cccc(OCCn3cc(C)cn3)c2)C[C@@](O)(COc2ccc(C)cc2)C1	585281405	ZRZGBVGFBZVPBZ-LJAQVGFWSA-N	522.646	2.680	0	40	KFAB	
CC(C)[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCOc2ccc(F)cc2)CCC(=O)NC2(CCCC2)C(=O)N1	643571813	KDHHOVUVGQSZPQ-DQEYMECFSA-N	582.673	2.862	0	40	KFAB	
CO[C@H](/C=C/CC/C=C/C(=O)O)[C@@H](O)[C@@H](C)/C=C(\C)[C@@H](O)[C@@H](C)C(=O)CCCC1CC(=O)NC(=O)C1	3946015	HJCZOTBHYAPUHT-FNHQLPBFSA-N	507.624	2.711	0	40	KFAB	biogenic,in-vitro
COC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)OCCO4)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1	8438042	DQDZHQJKBZKJMZ-YXDQGSNCSA-N	536.606	2.975	0	40	KFAB	
COC(=O)c1ccc(NC(=O)CSc2nnc(CNC(=O)/C=C/c3ccc(OC)c(OC)c3)n2C)cc1	10041398	OIILVGSXWUHMTF-WUXMJOGZSA-N	525.587	2.679	0	40	KFAB	
Cn1c(N)c(C(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCCC4)c(=O)n(C)c1=O	12541514	JGVFAIHVELNKSX-UHFFFAOYSA-N	523.640	2.671	0	40	KFAB	
CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccccc1F	20047449	SDTHNXQOOTUNHM-UHFFFAOYSA-N	512.629	2.642	0	40	KFAB	
CC(C)(O)CCC(=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@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C	38143731	VVBWBGOEAVGFTN-FEDHIQBYSA-N	520.707	2.944	0	40	KFAB	biogenic,in-vitro
O=C(NC(=S)Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1	97982356	KXZUEVTXEIIZIC-UHFFFAOYSA-N	540.671	2.819	0	40	KFAB	
CCCCn1c(SCC(=O)N(CC)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)nc2ccccc2c1=O	103083074	ITUKBOPTQYPEQK-UHFFFAOYSA-N	534.642	2.822	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1	215990310	GMJGHLIIFZGXRT-UHFFFAOYSA-N	570.531	2.831	0	40	KFAB	
COCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1	222874664	KHQCDVDPCNRGOK-HXUWFJFHSA-N	519.639	2.723	0	40	KFAB	
CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223825470	SEPKQPZWXKGSKP-KRWDZBQOSA-N	524.039	2.821	0	40	KFAB	
C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1F)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C	224689691	UFKULEQEUTWFEY-LJQANCHMSA-N	504.628	2.915	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	225412469	MGTDZJUGDHJJPK-ZWKOTPCHSA-N	501.605	2.562	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)C)cc1	225672321	LDLFQNMLSSEVTP-IBGZPJMESA-N	505.637	2.720	0	40	KFAB	
CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	260989237	PQDQSHUPBVMPCU-NQIIRXRSSA-N	503.621	2.903	0	40	KFAB	
COc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc(I)c1OCc1cccc(C(=O)O)c1	408596568	ZZWXOTUWXGQKTO-VIZOYTHASA-N	552.277	2.554	0	40	KFAB	
CCOc1ccc(CC(=O)N2CCO[C@@](COc3ccc(F)cc3)(CC(=O)N3CCOCC3)C2)cc1	585285251	PQOJWVIIZCLTAB-MHZLTWQESA-N	500.567	2.692	0	40	KFAB	
Cc1cccc(C(=O)N2CCCCC3(CCN(Cc4ccncc4)CC3)C(=O)OC[C@@H](O)[C@@H](O)CC2)c1	643578221	RJNABYNWZQPRNF-IZZNHLLZSA-N	509.647	2.954	0	40	KFAB	
C[C@@H]1O[C@H](O[C@@H]2CC[C@@]3(C)[C@H](CC[C@]4(C)[C@@H]3C=C[C@]35OC[C@@]6(CCC(C)(C)C[C@@H]63)[C@H](O)C[C@@]54C)C2(C)C)[C@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O	2061000955	KQGDHYQRJRGMDG-SICAGKOXSA-N	764.994	2.805	0	40	KFAB	
Cc1cc(NC(=O)COC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)ccc1Br	3276117	HESQVMJQWQCCKC-UHFFFAOYSA-N	511.394	2.882	0	40	KFAB	
COc1cc(NC(=O)O[C@@H]2CC[C@@]3(C)[C@H](CC(=O)N4CC[C@@H](O)C4)[C@H](O)CC[C@H]3[C@]2(C)CO)cc(OC)c1OC	4236795	XLCTXLUINOBOKU-LMTWOPQZSA-N	564.676	2.799	0	40	KFAB	biogenic,in-vitro
CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=S)N2CCN2CCOCC2)cc1	12469849	QBMDDSPIFSKUBJ-QFIPXVFZSA-N	510.616	2.526	0	40	KFAB	
CN1CCN(C(=O)c2cc(Oc3c(F)c(F)c(F)c(F)c3F)cc(C(=O)N3CCN(C)CC3)c2)CC1	13138833	RTPFYBFBEIBBSN-UHFFFAOYSA-N	512.479	2.950	0	40	KFAB	
Cc1cc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2cc1C	22870180	LKOZNGZAISLSIB-LXFBAYGMSA-N	557.655	2.946	0	40	KFAB	
COc1ccc(CNC(=O)CCCn2c(SCC(=O)NC[C@H]3CCCO3)nc3cc4c(cc3c2=O)OCO4)cc1	102755535	WKZMLHDVEAKWGX-HXUWFJFHSA-N	568.652	2.618	0	40	KFAB	
Cn1c([C@H](C(=O)NC[C@H]2CCCO2)N(Cc2ccc3c(c2)OCO3)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)nc2ccccc21	150384292	KUTRYFNHFDSVRM-ONOMSOESSA-N	645.694	2.512	0	40	KFAB	
Cc1cc(C)cc(N(CCCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)c1	223675784	DLPUMVQQWOXREL-UHFFFAOYSA-N	509.650	2.509	0	40	KFAB	
Cc1ccc(CN(CC(=O)NCCCN2CCOCC2)S(=O)(=O)c2ccc(Br)cc2)cc1	408620821	MEZISNZAONDAST-UHFFFAOYSA-N	524.481	2.787	0	40	KFAB	
Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1	408681857	ZWGAELMEPBURKC-UHFFFAOYSA-N	505.662	2.960	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc2c(c1)OCCO2	408705843	OLUAMOFUTPLHCU-UHFFFAOYSA-N	513.538	2.982	0	40	KFAB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\[C@H]4C(=O)N(c5ccccc5)N=C4C)c(=O)n32)cc1OCC	408932962	GBTBBZZYCNEJAT-RJKCYMBZSA-N	560.632	2.806	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/[C@H]3C(=O)N(c4ccccc4)N=C3C)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1	409013549	BFNGVLGVKAZESE-WIJHPOSRSA-N	590.658	2.815	0	40	KFAB	
COC(=O)c1ccccc1NC(=O)[C@H](OC(=O)c1cccc(OC)c1)[C@@H](OC(=O)c1cccc(OC)c1)C(=O)O	409377687	KLEACQVDEPBNKM-DHIUTWEWSA-N	551.504	2.965	0	40	KFAB	
COc1ccc(-c2coc3ccc(O[C@H]4O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]4OC(C)=O)c(OC(C)=O)c3c2=O)cc1OC	585162778	UBKMVBJOKZDNNY-OHZQLAQRSA-N	686.619	2.864	0	40	KFAB	
CC(C)[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCCCN2CCCC2)CCC(=O)NC2(CCCC2)C(=O)N1	643571765	IKPLFMZAFYRRAA-DQEYMECFSA-N	569.747	2.520	0	40	KFAB	
CN1CCOc2ccccc2C(=O)N[C@H](C(=O)N(C)CCOc2ccc(Cl)cc2)CC(=O)N[C@@H](Cc2ccccc2)C1=O	643578984	MGMPIEHEIYNRTN-SVBPBHIXSA-N	607.107	2.944	0	40	KFAB	
CC(=O)N[C@@H]1CC(=O)[C@]23C(=O)N[C@H](Cc4c[nH]c5ccccc45)[C@@H]2C(C)=C(C)[C@H](O)[C@@H]3C=CC[C@H](C)C=C(C)[C@@H](O)[C@H]1O	958322868	FOADMCJCIRJHTO-NJHUDTMUSA-N	589.733	2.867	0	40	KFAB	
CCOC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)OC(C)(C)C	4015576	JMQNNNWOMOJVBU-DYIKCSJPSA-N	660.768	2.962	0	40	KFAB	
CC(C)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@H](C)C4)cc3)c2C(N)=O)C1	4177787	VDUBBDLCBOVYQY-IYBDPMFKSA-N	520.677	2.664	0	40	KFAB	
COCCNC(=O)[C@H](c1ccc2ncccc2c1)N(Cc1ccccc1)C(=O)c1snc(C(N)=O)c1N	6136215	GLVSWLXRDFRKKC-QFIPXVFZSA-N	518.599	2.519	0	40	KFAB	
COc1cc([C@H](C(=O)NC2CCCC2)N(Cc2ccco2)C(=O)c2snc(C(N)=O)c2N)cc(OC)c1OC	6906370	FEOXQSTYUXHDBI-OAQYLSRUSA-N	557.629	2.886	0	40	KFAB	
O=S(=O)(Nc1ccc(Br)c2cccnc12)c1ccc(S(=O)(=O)N2CCOCC2)cc1	9968608	XHKCQIDPLQOLJQ-UHFFFAOYSA-N	512.407	2.819	0	40	KFAB	
CCCOc1ccc(C(=O)N(C)CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)cc1OCC	32971951	ACQQAXAEPMHXCA-UHFFFAOYSA-N	531.654	2.724	0	40	KFAB	
COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1Cl	59838346	OBRMHWJTPHQWSS-VWLOTQADSA-N	608.138	2.576	0	40	KFAB	
COc1ccc(CCN(Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)Cc2nnnn2C[C@@H]2CCCO2)cc1OC	100368835	QUORUJOKVPCULA-QFIPXVFZSA-N	562.627	2.727	0	40	KFAB	
COC(=O)[C@@]1(CCSC)N[C@H](c2ccc(OC)cc2OC)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21	100421137	WVBQHKKDSUDZBV-HULNYRCFSA-N	502.564	2.958	0	40	KFAB	
NC(=O)c1ccsc1NC(=O)COC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1	103071188	PFAPNJVULWQJKQ-UHFFFAOYSA-N	525.967	2.914	0	40	KFAB	
C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O[C@H]5O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]5O)CC[C@@]43C)[C@@H]1CC[C@H]2c1ccc(=O)oc1	118929832	PXOPSICDLOGGMK-IUROOSFWSA-N	530.658	2.871	0	40	KFAB	
CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	224166831	YMPXXYFNGNOENK-NRFANRHFSA-N	503.621	2.823	0	40	KFAB	
CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(OC)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	224586312	OGFAIYIAPLDXDO-QFIPXVFZSA-N	513.616	2.706	0	40	KFAB	
CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	225719464	UVSQLQSFPCRFEY-INIZCTEOSA-N	536.448	2.783	0	40	KFAB	
CCOC(=O)COc1cccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OCC(=O)OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)c1	409045876	JHCALNLOEXTJSV-QFYGQVNBSA-N	638.695	2.691	0	40	KFAB	
Cn1c(O)c(C(c2cccc(Br)c2)c2c(O)n(C)c(=S)n(C)c2=O)c(=O)n(C)c1=S	409071044	NAIMSLWHRBBGBP-UHFFFAOYSA-N	511.423	2.574	0	40	KFAB	
COc1cccc(-c2ccc3c(c2)OCCC2(CCN(C(=O)Nc4cccnc4)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2S3(=O)=O)c1	1548888920	CUPXMLDTMIPKLX-RSXGOPAZSA-N	621.716	2.847	0	40	KFAB	
CCOC(=O)c1c(NC(=O)CSc2nnnn2-c2ccc(OC)cc2)sc(C(=O)N(C)C)c1C	2656544	UJKFVDRWBJFLOZ-UHFFFAOYSA-N	504.594	2.650	0	40	KFAB	
O=C(CCCn1c(=O)[nH]c2ccc(Br)cc2c1=O)NCCCN1CCN(c2ccccc2F)CC1	4766542	QCEPFQZSBBIZNX-UHFFFAOYSA-N	546.441	2.700	0	40	KFAB	
CC(C)(C)NC(=O)[C@@H](c1ccc(O)cc1)N(C[C@H]1CCCO1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1	6074565	WGFLXRCZQQGXMX-FYYLOGMGSA-N	510.570	2.848	0	40	KFAB	
O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)N1CCN(S(=O)(=O)c2cccs2)CC1	13109006	GCLLAHRUVXAKMG-UHFFFAOYSA-N	518.082	2.723	0	40	KFAB	
CC(C)(C)n1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(c2ccc(O)cc2)CC1	20084236	ZJIOYHPVTMWVOH-QHCPKHFHSA-N	503.563	2.616	0	40	KFAB	
O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	22246310	SGSKBLSJYCDENW-DEOSSOPVSA-N	507.612	2.649	0	40	KFAB	
C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)CCc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)C1	103038207	DVTICMHTROCCSY-HXUWFJFHSA-N	535.688	2.699	0	40	KFAB	
CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O	216468985	AVOPGMMSIVVYAV-FQEVSTJZSA-N	521.596	2.908	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	222470436	KFKMPSYWFOLVOU-JOCHJYFZSA-N	526.014	2.871	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O	222511647	QFSYNUIBEONYFT-AWEZNQCLSA-N	563.845	2.874	0	40	KFAB	
COc1ccc(C(=O)NCCNc2ccnc3cc(Cl)ccc23)cc1S(=O)(=O)N1CCOCC1	222920225	YIGRAZWSWBSEFE-UHFFFAOYSA-N	504.996	2.760	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1	224397178	GTLMWPZOLVZFPN-UHFFFAOYSA-N	541.717	2.519	0	40	KFAB	
CC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4ccc(OC(F)(F)F)cc4)C[C@H]3C(=O)NC[C@H]1O2	253396466	DVQCHXILVNMLOL-SDBGCZOPSA-N	604.626	2.863	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	261029133	WYJPHEGBGPQGDE-OALUTQOASA-N	535.663	2.810	0	40	KFAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCC(=O)O)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	409101760	XUSRVNRINLTVSX-ZKZBLMLZSA-N	565.648	2.584	0	40	KFAB	
CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OC)c2)n2c(s/c(=C3\C(=O)N(C)c4ccccc43)c2=O)=N1	409112009	AJHXLQAAYFPIHV-KXNAUXDSSA-N	517.607	2.934	0	40	KFAB	
COc1cccc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c1OCC(=O)O	409205954	SBZGAKFULTXMRV-XSFVSMFZSA-N	511.556	2.544	0	40	KFAB	
O=C(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1	20451727	PVERHEUHHHEVJO-MRXNPFEDSA-N	506.631	2.983	0	40	KFAB	
COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O	20491768	RVKORIQIMBUYPC-CQSZACIVSA-N	504.030	2.829	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@@H](C(=O)NC3CCCC3)c3ccc(F)cc3)n2)cc1OC	100276364	RJDDCTUAZROAGG-GDLZYMKVSA-N	609.703	2.847	0	40	KFAB	
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3F)S(=O)(=O)N(C)C)cc2)cc1	216013120	XVBZJHPMRMDTRX-UHFFFAOYSA-N	536.607	2.887	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O	216236934	CIRJZTCLZJXLTD-GOSISDBHSA-N	509.650	2.890	0	40	KFAB	
CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O	223043463	XUWONCLNLCENNJ-NRFANRHFSA-N	503.621	2.823	0	40	KFAB	
Cc1ccccc1CN(C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C)[C@@H](C)C(=O)NCC(C)C	224135722	DXBHFBJMWIGJLA-FQEVSTJZSA-N	506.644	2.936	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2cccc(C)c2)cc1	224438167	ZGLJMPLSNCXEIQ-UHFFFAOYSA-N	587.720	2.715	0	40	KFAB	
CCOc1ccc(-c2noc(CN(C)C(=O)CCc3cc(S(=O)(=O)N4CCOCC4)ccc3OC)n2)cc1	225681505	GHJMSCPTOJYIKU-UHFFFAOYSA-N	544.630	2.756	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)[C@H](C)C(=O)NC(C)(C)C)c1	260756159	FERKNOFUOTYAMY-GOSISDBHSA-N	522.643	2.779	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1ccccc1F)[C@H](C)C(=O)NCC(C)C)c1ccc2c(c1)OCCO2	260962387	YHXXPGPAXGRBCJ-LJQANCHMSA-N	535.638	2.943	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1C(=O)N1CCOCC1	408692985	AEQFLVPFSHDWDI-UHFFFAOYSA-N	513.538	2.697	0	40	KFAB	
CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	409121140	WJAWVKWEHDJNBA-RLWLMLJZSA-N	584.720	2.917	0	40	KFAB	
CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OC)n2c(s/c(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)c2=O)=N1	409171082	YRZOJLQZUFMBDV-HMXFMCBNSA-N	605.713	2.825	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(N)=O)c(OCC)c3)c(=O)n2[C@H]1c1ccccc1Cl	409204309	FUHWFCVFUKVFCX-GXPYYPFNSA-N	556.040	2.715	0	40	KFAB	
COc1cc([C@H](CC(=O)NCCNC(=O)c2cc3ccccc3[nH]2)c2oc(C)cc(=O)c2O)ccc1O	524730108	WBNICPMNHUYKHI-SFHVURJKSA-N	505.527	2.918	0	40	KFAB	biogenic
COC(=O)C[C@H](c1ccc2c(c1)n(C)c(=O)n2C)c1oc(CN2CCc3ccccc3C2)cc(=O)c1O	524730839	YZAQUTQTAHEHIX-OAQYLSRUSA-N	503.555	2.789	0	40	KFAB	biogenic
CC(C)CCO[C@@H]1CN(C(=O)c2ccccc2F)CCN(CC2CCOCC2)CCCCOC[C@@H](O)[C@H]1O	643913450	YGQALTDMWZUQCZ-JCYYIGJDSA-N	538.701	2.960	0	40	KFAB	
COc1ccc(CN(CC(=O)Nc2ccc3c(c2)OCO3)C(=O)CN2C(=O)C(=O)c3ccccc32)cc1	3766547	OZZZSYGWDWBGFA-UHFFFAOYSA-N	501.495	2.621	0	40	KFAB	
CC(=O)OC[C@H]1O[C@@H](Sc2ccccc2)[C@H](N[C@@H](O)C(Cl)(Cl)Cl)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	8497609	KOGJCNZKPPVDLZ-QMROVXIMSA-N	544.837	2.577	0	40	KFAB	
COc1ccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)cc1	13565647	YUDRHVXDJQBMBR-OAQYLSRUSA-N	527.565	2.731	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	13801938	RZDCWQQGTDMBOO-KIHONOKQSA-N	508.552	2.544	0	40	KFAB	
NC(=O)COc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc1	16742436	WFVWTCPWXIBLDU-HSZRJFAPSA-N	511.962	2.578	0	40	KFAB	
NS(=O)(=O)c1ccc(CNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	20030652	VTJSMTOQXXBJJQ-UHFFFAOYSA-N	522.048	2.537	0	40	KFAB	
C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N5C[C@H](O)C[C@H]5C(=O)OC)CC[C@]4(C)[C@H]3CC[C@@]21C	35361917	KWFXBLQFMPZAOR-MHTPWCPHSA-N	512.647	2.821	0	40	KFAB	biogenic
CO[C@H](/C=C/CC/C=C/C(=O)O)[C@@H](O)[C@H](C)[C@H](O)/C(C)=C/[C@@H](C)C(=O)CCCC1CC(=O)NC(=O)C1	35457112	YQDJUXPUIRGKNV-ONHAQTJWSA-N	507.624	2.711	0	40	KFAB	biogenic,in-vitro
COc1ccc(CCNC(=O)CSc2ccc3nnc(CCNC(=O)c4ccc(C)cc4)n3n2)cc1OC	38139058	BWESEBZCVDXJGF-UHFFFAOYSA-N	534.642	2.873	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(O)c3)c(=O)n2[C@H]1c1ccc(OC)cc1OC	59418382	ZHXBRDCXAJRRLZ-JUTHHCEFSA-N	510.568	2.530	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc4c(cc3Cl)OCO4)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	101953265	YAXLPTWBQVZUTB-NCBZSOBPSA-N	526.954	2.909	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1I	224281120	ONYBAOIFEHUNKC-UHFFFAOYSA-N	500.358	2.885	0	40	KFAB	
O=C(Nc1nnc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)s1)c1ccc(Cl)cc1Cl	225363502	AYWBLRUGJQZPJL-UHFFFAOYSA-N	562.482	2.792	0	40	KFAB	
CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	225719436	UVSQLQSFPCRFEY-MRXNPFEDSA-N	536.448	2.783	0	40	KFAB	
CN(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccccc1)S(C)(=O)=O	260722478	OZQMLAUNTHCDDQ-GMAHTHKFSA-N	508.040	2.597	0	40	KFAB	
COc1ccccc1CNC(=O)COc1ccc(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)cc1	409239622	ZROIMMDRTYECCV-UHFFFAOYSA-N	514.600	2.929	0	40	KFAB	
Cn1cnnc1[C@@H]1CCCCN1C(=O)CN1CCC2(CCCCc3ccccc3OCCNC2=O)CC1	643558562	QKKUBVHQYNJFDL-QHCPKHFHSA-N	508.667	2.873	0	40	KFAB	
O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1	12530193	MVRJLLHRGXXJHU-UHFFFAOYSA-N	527.690	2.515	0	40	KFAB	
COc1ccccc1NS(=O)(=O)c1cc(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)ccc1C	32999882	AGKKIYTYUZBGIH-UHFFFAOYSA-N	500.577	2.998	0	40	KFAB	
COc1ccc(C[C@@]2(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)C(=O)NC(=O)N(c3ccccc3)C2=O)cc1OC	70669827	IXAGSFIVMXXDHV-ITOWZWGRSA-N	556.619	2.797	0	40	KFAB	biogenic
O=C1[C@H]2[C@@H](C(=O)N1c1ccc3c(c1)OCCO3)[C@@H]1C=Cc3ccccc3N1[C@H]2C(=O)n1nnc2ccccc21	100888178	LCBFJLLDKQSLQC-CPPMQADQSA-N	519.517	2.933	0	40	KFAB	
CCOC(=O)C1=c2s/c(=C/c3cccs3)c(=O)n2C(N)=C(S(=O)(=O)c2ccccc2)[C@@H]1c1cccs1	102649858	DVIYNFDFQYZXNO-YWXUCKCNSA-N	556.712	2.932	0	40	KFAB	
CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	224620202	FZZJAQJYKAPHIQ-OAQYLSRUSA-N	503.621	2.557	0	40	KFAB	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(OC)c3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC	408934649	CSKSYZDGRFEWKC-LYFUXTGPSA-N	500.960	2.784	0	40	KFAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C3/C(=O)Nc4ccc(C)cc43)c(=O)n2[C@H]1c1ccccc1OC	409117723	MHZOMRVVSOASRG-AYWGPLOBSA-N	516.623	2.743	0	40	KFAB	
C[C@@H]1COc2ccccc2C(=O)NCCCCC2(CCN(C(=O)CCc3ccc4c(c3)n(C)c(=O)n4C)CC2)C(=O)N1	643560934	NLXACOUEVSYYID-JOCHJYFZSA-N	575.710	2.916	0	40	KFAB	
COc1ccc(CCCNC(=O)[C@@H]2CC(=O)N3CCC[C@@H]3C(=O)N[C@@H](CC(C)C)COc3ccccc3C(=O)N2)cc1OC	643564918	NGBOGHVPPXPCAS-AYRHNUGRSA-N	608.736	2.856	0	40	KFAB	
COc1ccc(OCCNC(=O)[C@@H]2CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCCOc3ccccc3C(=O)N2)cc1	643576602	VNOXTHIJGRYYBV-ZDCRTTOTSA-N	715.848	2.878	0	40	KFAB	
CCN1C(=O)[C@@H](CC(=O)Nc2ccc(I)cc2)N(NC(=O)c2cccc(F)c2)C1=S	1078081	MWGKKXNGRPAZTA-MRXNPFEDSA-N	540.358	2.922	0	40	KFAB	
COc1ccc([C@@H]2OC[C@@H]3O[C@@H](O[C@@H]4c5cc6c(cc5[C@H](c5cc(OC)c(O)c(OC)c5)[C@H]5C(=O)OC[C@H]45)OCO6)[C@@H](O)[C@@H](O)[C@@H]3O2)cc1	4429641	PYIDINPDCKPLKA-OHAZICDMSA-N	680.659	2.700	0	40	KFAB	
CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(F)cc1	9694803	ODQBPWGFCMPGLG-UHFFFAOYSA-N	506.581	2.878	0	40	KFAB	
CC(=O)Nc1ccc(NC(=O)CS(=O)(=O)c2cn(CC(=O)N3C[C@@H](C)O[C@H](C)C3)c3ccccc23)cc1	10460510	NRKFJSBKHLZRRE-QZTJIDSGSA-N	526.615	2.648	0	40	KFAB	
CCOc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1OCC(=O)N1CCOCC1	12998530	WGGPFOJRKPYDKN-UHFFFAOYSA-N	531.631	2.750	0	40	KFAB	
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(Cl)cc3)CC2)N[C@H]1c1ccc(O)c(OCC)c1	20674860	NHMXATDZIGWDPB-VXKWHMMOSA-N	500.983	2.973	0	40	KFAB	
Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)c1C	38139715	ZVFGOCZNLMJDBS-UHFFFAOYSA-N	549.715	2.981	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1	60060706	ZNEOXKPXUTVCNB-UHFFFAOYSA-N	572.105	2.550	0	40	KFAB	
COc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(F)cc2)cc1N(C)S(=O)(=O)c1ccccc1	95117008	NFQDMWMKERELIF-UHFFFAOYSA-N	521.592	2.967	0	40	KFAB	
CCOc1ccc(CCNC(=S)NC(=O)/C=C/c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1OCC	97982376	CBILXONIDZODQG-XYOKQWHBSA-N	547.699	2.752	0	40	KFAB	
COc1ccc(NS(=O)(=O)c2cc(NC(=O)Cn3[nH]c(=O)c4ccccc4c3=O)ccc2N2CCCC2)cc1	103049529	IDJNRASHCJYNSV-UHFFFAOYSA-N	549.609	2.738	0	40	KFAB	
CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	223758817	SFILICXBLSYRHN-VWLOTQADSA-N	567.664	2.966	0	40	KFAB	
CCN(Cc1nc(-c2cccs2)no1)C(=O)CCc1cc(S(=O)(=O)N2CCOCC2)ccc1OC	224947296	OCXFMTKJBBKRFS-UHFFFAOYSA-N	520.633	2.809	0	40	KFAB	
Cc1c(CCC(=O)N2CC[C@H](Oc3cccc(Br)c3)[C@@H](CC(=O)N3CCOCC3)C2)cnn1C	257239201	HOIIWLMVXIGTII-REWPJTCUSA-N	533.467	2.969	0	40	KFAB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N2C[C@H](C(=O)NCc3ccccc3)Oc3ccccc32)cc1C	260825687	JKUHRSJTAQQLSG-RUZDIDTESA-N	523.611	2.735	0	40	KFAB	
CC1(C)NC(=O)N(CCCOc2ccc(CN3CCOC[C@@](O)(COc4cccc(F)c4)C3)cc2)C1=O	585279696	FXJDAXJCGZZNET-HHHXNRCGSA-N	515.582	2.567	0	40	KFAB	
Cc1nc(C)n(CCC(=O)N2CCN(C(C)C)CCCN(S(C)(=O)=O)c3cc(Cl)ccc3C2)n1	643560649	YFCJZNGYGDVRHD-UHFFFAOYSA-N	511.092	2.847	0	40	KFAB	
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(S(=O)(=O)c4ccc(NC(=O)OC)cc4)CC3)cc21	1241281	IYULWAWZSYJCLE-UHFFFAOYSA-N	532.550	2.548	0	40	KFAB	
COCCn1nnnc1[C@H](c1cc2cc(OC)ccc2[nH]c1=O)N1CCN(c2nc3ccccc3s2)CC1	6239191	NWLUGUUGQFYQRC-QHCPKHFHSA-N	532.630	2.691	0	40	KFAB	
CCOC(=O)c1ccc(NC(=O)c2ccc(O[C@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)c(OC)c2)cc1	8431864	PUSBLAHHWCDZSD-WZVVFXDKSA-N	645.614	2.586	0	40	KFAB	
CCOc1ccccc1NC(=O)Cn1c(=O)n(CCc2ccc(OC)c(OC)c2)c(=O)c2cccnc21	9830986	TZHZEQJAICPTJX-UHFFFAOYSA-N	504.543	2.856	0	40	KFAB	
CSCC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1)c1nc2ccccc2[nH]1	12539335	NUQPVEQGRIJVAN-QFIPXVFZSA-N	515.661	2.640	0	40	KFAB	
Cc1ccc(NC(=O)CSCCC(=O)OCC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1	13165273	KHPVKMSDESVPRU-NRFANRHFSA-N	504.630	2.820	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(C)nn(C)c3C)c(=O)n2[C@@H]1c1ccc(OC(F)F)cc1	22825537	NEZUBNILVOBHAO-BUDOKORBSA-N	502.543	2.750	0	40	KFAB	
C[C@H](OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br)C(=O)N(C)C1CCCCC1	32691572	WMJJSVAHKLOJRM-HNNXBMFYSA-N	517.442	2.806	0	40	KFAB	
COc1cccc(N2C(=O)NC(=O)[C@@](Cc3ccc(OC)cc3OC)(CN3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)C2=O)c1	70671658	OBMKSNSXQAEZGH-OYKDXHIPSA-N	586.645	2.805	0	40	KFAB	biogenic
CCOC(=O)c1ccc(NC(=O)Cn2c(=O)n(CC(=O)NC3CCCC3)c(=O)c3oc4ccccc4c32)cc1	101354090	ABTMZVQXHWMRRT-UHFFFAOYSA-N	532.553	2.784	0	40	KFAB	
CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccccc2)cc1	104183676	ALSHZOOEUOKSBN-UHFFFAOYSA-N	559.666	2.940	0	40	KFAB	
CO[C@H]1[C@@H](O)[C@@H](C)O[C@@H](O[C@@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)[C@@H](OC(C)=O)C[C@@]5(O)[C@@H]4CC[C@@H]3C2)[C@H]1O	118931130	UZQOZJNEDXAJEZ-NHHCCNGYSA-N	592.726	2.652	0	40	KFAB	
COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1	214645026	VZZDKZWIZHPNFQ-HYARGMPZSA-N	525.583	2.916	0	40	KFAB	
COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)c(Cl)c3)C2)c2ccccc2O1	222535619	KLARFANHYSFEHM-VFNWGFHPSA-N	508.980	2.717	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O	222559616	VQNZVMJNXDXIHN-RUZDIDTESA-N	527.618	2.986	0	40	KFAB	
COC(=O)[C@]1(c2ccccc2)N[C@H](c2ccc(OC)cc2OC)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21	229941670	VCVXVWDIPVACJE-VIDGLSEISA-N	544.560	2.994	0	40	KFAB	
CC(=O)Nc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)C(c3ccccc3)c3ccccc3)C2)cc1	408655213	LOFDLHYBZGVQMY-JOCHJYFZSA-N	528.565	2.839	0	40	KFAB	
O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1	408682420	YLDPVXBGRXOHDL-UHFFFAOYSA-N	542.079	2.541	0	40	KFAB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OC)c(OC)c4)c(=O)n32)cc1OCC	408933439	JQPDEVIORFEPLU-HYIDZWCSSA-N	524.595	2.833	0	40	KFAB	
Cn1cc(-c2ccc3c(c2)OCC[C@@H]2CC[C@H](O)[C@@H](CNC(=O)[C@@H]4C[C@@H](CN4Cc4cccc(Cl)c4)NC3=O)O2)cn1	514287665	WUAXFIQKNXSTKS-INWNYEGYSA-N	594.112	2.921	0	40	KFAB	
CNC(=O)Cc1nc2ccccc2n1CC(=O)N1CCO[C@H](c2cc(Nc3ncc(C)s3)nc(C)n2)C1	585263637	XKNIMOQXZCIZAV-FQEVSTJZSA-N	520.619	2.532	0	40	KFAB	
CN(Cc1ccc(OCC(=O)N2CCOCC2)cc1)C[C@H](O)Cn1c(C(F)(F)F)nc2ccccc21	585270349	VGKXEUJAQBNPKN-IBGZPJMESA-N	506.525	2.786	0	40	KFAB	
COc1cc(NC(=O)CN2CCC[C@]3(CC=CCOc4ccccc4C(=O)NCCNC3=O)C2)cc(OC)c1	2037879970	ZUXAUEYYZZTQQC-GDLZYMKVSA-N	536.629	2.609	0	40	KFAB	
Cc1ccc2c(c1)OCCCNC(=O)C1(CCCCNC2=O)CCN(C(=O)Cn2c(=O)n(C)c3ccccc32)CC1	2037883968	KZJYXLFPWUVPTO-UHFFFAOYSA-N	561.683	2.756	0	40	KFAB	
COc1ccc(CN(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2cccs2)cc1	6973528	MEPROULLBDRXOO-UZLBHIALSA-N	529.644	2.573	0	40	KFAB	
CCOP(=O)(OCC)[C@H](NC(=O)OCC(Cl)(Cl)Cl)n1nnc(C(=O)OC)c1C(=O)OC	8665654	PQUNNRWLKHHTOD-GFCCVEGCSA-N	525.666	2.670	0	40	KFAB	
COc1cc(C(=O)/N=c2\sn(-c3ccc(Cl)cc3)nc2C(=O)N2CCOCC2)cc(OC)c1OC	8770699	CZRMWMASLNBZJU-LVWGJNHUSA-N	518.979	2.827	0	40	KFAB	
CC(=O)Nc1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)nc3c2c(=O)n(C)c(=O)n3C)cc1	8897248	UOQTVAJSQRZUKL-UHFFFAOYSA-N	504.572	2.692	0	40	KFAB	
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)cc2)n1	20490086	YUCSGYHJNFINDH-UHFFFAOYSA-N	501.590	2.822	0	40	KFAB	
O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)Nc1ccc(I)cc1	59930347	GVQBXUJYUVUPJV-UHFFFAOYSA-N	536.775	2.983	0	40	KFAB	
CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1	72134100	FPNRVMRHYUNNTL-UHFFFAOYSA-N	537.660	2.532	0	40	KFAB	
COc1cc(C[C@@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc(OC)c1	100472166	HLNFZQAZSOXBEH-HHHXNRCGSA-N	539.654	2.874	0	40	KFAB	
CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223161418	ZTCUOGKHERFVNG-OAQYLSRUSA-N	517.648	2.946	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCC2)c1	224025381	RGFIBYGHDZFJFU-IBGZPJMESA-N	547.674	2.955	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)[C@@H](C)C(=O)NC2CCCC2)c1	224034345	GGUQAQLIAAUISZ-IBGZPJMESA-N	534.654	2.923	0	40	KFAB	
Cc1ccc(S(=O)(=O)NCCNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	226003117	FOYNDYGOVFRHMB-UHFFFAOYSA-N	550.102	2.977	0	40	KFAB	
O=C(C[C@@]1(COc2cccc(Cl)c2)CCCN(C(=O)CN2CCCCCC2=O)C1)N1CCOCC1	257246853	IWCIZKPXUISWEY-SANMLTNESA-N	506.043	2.979	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	260953852	KGUVCDLTCYHWIB-OALUTQOASA-N	533.647	2.912	0	40	KFAB	
COC(=O)c1cc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(C)ccc3OC)C2)cc(C(=O)OC)c1	408584114	LSHUDUOLOGDSTK-INIZCTEOSA-N	504.561	2.616	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/[C@@H]3C(=O)N(c4ccccc4)N=C3C)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	409021703	UIBBZCJORFKGIE-UXBWHSAQSA-N	560.632	2.806	0	40	KFAB	
CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)c(Br)c(Cl)c1OCC(N)=O	409400596	PSOCUAWCGWFSHO-SDQBBNPISA-N	556.753	2.838	0	40	KFAB	
Cc1cc(C)n(CC(=O)N2CCCCNC(=O)c3cc(Cl)ccc3OC[C@@H](C(C)C)NC(=O)C2)n1	643559587	YYZXJNVSXAMJBX-NRFANRHFSA-N	504.031	2.725	0	40	KFAB	
CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)OC(C)(C)C	4015575	JMQNNNWOMOJVBU-OCBJUFRSSA-N	660.768	2.962	0	40	KFAB	
COc1ccc(OC)c2sc(N3CCN(C(=O)[C@@H]4CCCN4S(=O)(=O)c4cccs4)CC3)nc12	10187114	IPCXVQXTLOUAIT-HNNXBMFYSA-N	522.674	2.877	0	40	KFAB	
O=C(NCC(=O)N(Cc1ccc2c(c1)OCO2)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccccc1)c1ccco1	12485675	CDBQEQQWTPAVCL-HFZDXXHNSA-N	519.554	2.803	0	40	KFAB	
COc1ccc(NC(=O)CSc2nc3nc(C)cc(C)c3c(=O)[nH]2)cc1S(=O)(=O)N1CCCCC1	13127237	ZSSYZQQHIYHUCC-UHFFFAOYSA-N	517.633	2.849	0	40	KFAB	
COc1ccccc1[C@H](CNC(=O)/C=C/c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)N1CCCC1	13146148	URASHEDMHKHLGE-XDQZKXAQSA-N	529.659	2.691	0	40	KFAB	
COc1ccc(C(=O)N/C(=C/c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)C(=O)NC[C@@H]2CCCO2)cc1	27023640	AMCXSXUKBUAJGG-VQYZLWMVSA-N	525.583	2.669	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OC)c3C(=O)O)c(=O)n2[C@H]1c1ccc(OC)cc1OC	101535720	WQXVQUVYCJSUKW-AGIMELGASA-N	568.604	2.531	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	260898641	DNUXYEAYMDXTFK-MOPGFXCFSA-N	503.621	2.822	0	40	KFAB	
Cc1nc(Cn2c(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)nc3c2c(=O)nc(O)n3C)nc2ccccc12	299754578	UAJLGUKGVVDZFF-MRXNPFEDSA-N	520.594	2.629	0	40	KFAB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(O[C@@H](C)C(=O)OC)cc3Br)C2=O)o1	409400087	OQYBYZGGKSQIOF-URXIRXLPSA-N	537.319	2.871	0	40	KFAB	
CCc1nccn1CCOc1cc(CN2CCN(C(=O)COC)C[C@@](O)(COc3ccc(F)cc3)C2)ccc1OC	585273622	SRLJXPSXMCPTGP-SSEXGKCCSA-N	570.662	2.773	0	40	KFAB	
COc1ccc(CCNC(=O)c2ccc(Cn3c(SCC(N)=O)nc4cc5c(cc4c3=O)OCO5)cc2)cc1OC	2975665	QWQFFBHLVHREDD-UHFFFAOYSA-N	576.631	2.741	0	40	KFAB	
CC(C)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)c2C(N)=O)C1	3007205	VDUBBDLCBOVYQY-HZPDHXFCSA-N	520.677	2.664	0	40	KFAB	
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)NCC(=O)OC(C)(C)C	5461737	DYJGHQWHYDJVBG-RBUKOAKNSA-N	509.669	2.818	0	40	KFAB	
COCCNC(=O)[C@H](c1ccc2ncccc2c1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)c(OC)c1	6136220	FZJZDTQZMZBMAH-QHCPKHFHSA-N	564.624	2.540	0	40	KFAB	
CCOc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2cccs2)cc1	6601010	OWSHGOPRGFBOLM-JXFKEZNVSA-N	529.644	2.968	0	40	KFAB	
COc1ccccc1CNC(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)n1C	13084673	JRWNCHAZEZRDBQ-UHFFFAOYSA-N	501.634	2.684	0	40	KFAB	
COc1ccccc1N1CCN([C@@H](c2cc3cccc(C)c3[nH]c2=O)c2nnnn2C[C@@H]2CCCO2)CC1	19826408	LXLZRNZAUKKGDI-LVXARBLLSA-N	515.618	2.922	0	40	KFAB	
CN(C)S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)C1	22531410	WRLHCAUTYMLDIE-HNNXBMFYSA-N	501.030	2.598	0	40	KFAB	
COc1cc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@@H]2CCCO2)c2cccs2)ccc1-n1cnnn1	33356967	UNNZKLTVZSBKKV-SIBVEZHUSA-N	573.639	2.547	0	40	KFAB	
CC(=O)c1cc2c(cc1N(C(=O)Cn1nnc3ccccc31)[C@@H](C(=O)NC[C@@H]1CCCO1)c1cccn1C)OCO2	100335877	LZJRHHUOUYZECT-HMILPKGGSA-N	558.595	2.771	0	40	KFAB	
CC(C)CN(C(=O)CN(C)C(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	103038435	VEMPSVOXHYVFLD-HNNXBMFYSA-N	542.464	2.997	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1	140362397	AANUZRPAXGCKFY-UHFFFAOYSA-N	616.556	2.659	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	222522398	RAOCRAVZOCGESZ-DEOSSOPVSA-N	555.628	2.749	0	40	KFAB	
C[C@H](C(=O)NCc1ccccn1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222779626	UOCBCQKELXYPJD-OAQYLSRUSA-N	587.098	2.868	0	40	KFAB	
CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O	224067980	PKXRJHPBNPBROY-KRWDZBQOSA-N	510.454	2.811	0	40	KFAB	
CC[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O	224335168	AKVSJZQBLTTWMR-OAQYLSRUSA-N	574.121	2.873	0	40	KFAB	
CS(=O)(=O)N(CC(=O)NCc1cccc(CN2CCCC2)c1)c1ccc(I)cc1	224603118	CVHZSDNLLAIAFD-UHFFFAOYSA-N	527.428	2.969	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	261040141	YJYLHDNBCAFFDQ-OALUTQOASA-N	533.647	2.912	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCC(=O)O)c(OC)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	408825919	BKJCDNHWAFETRZ-JFOJXTJISA-N	678.457	2.604	0	40	KFAB	
CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1Br	409148291	YDVYTOSUWQLXPG-OQLLNIDSSA-N	547.811	2.940	0	40	KFAB	
CCOc1ccc(S(=O)(=O)CCC(=O)N2CCN(C)CCCN(C(C)=O)c3ccccc3C2)cc1	643554553	VLTAGEFQUHLQMW-UHFFFAOYSA-N	501.649	2.966	0	40	KFAB	
CCC(=O)Nc1cc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)ccc1C	930469	ZEKDZUCJXQBGEP-UHFFFAOYSA-N	520.615	2.870	0	40	KFAB	
COC(=O)c1ccc(CNC(=O)Cn2c(=O)c3c(ncn3CCC(C)C)n(Cc3ccccc3)c2=O)cc1	13098555	YMFRHGZJLQTMSW-UHFFFAOYSA-N	517.586	2.557	0	40	KFAB	
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(Cl)cc3)CC2)N[C@@H]1c1cc(OC)c(OC)c(OC)c1	20674925	OKRQOTFGFROZNO-FCHUYYIVSA-N	531.009	2.894	0	40	KFAB	
Cc1ccc(-c2nn(CC(=O)N3CCN(c4ccccc4)CC3)c(=O)c3ccccc23)cc1S(=O)(=O)N1CCOCC1	29748589	XZFACFWTYVBQKW-UHFFFAOYSA-N	587.702	2.742	0	40	KFAB	
Cc1ccc(S(=O)(=O)[C@H](NC(=O)c2ccccc2)C(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1	36625557	TUISYNRTEWHNJP-VWLOTQADSA-N	505.596	2.509	0	40	KFAB	
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4cccs4)C3)cc2)n1	44846068	GXNLUEHYKLKZFN-MRXNPFEDSA-N	521.646	2.687	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3OC)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	59418408	NSUMFZQFVHDTOW-DKOMQPSQSA-N	524.595	2.833	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O	222559714	INWLCNXOIMDSOR-RUZDIDTESA-N	527.618	2.986	0	40	KFAB	
COc1ccc(CCNC(=O)[C@@H](C)N(Cc2ccccc2)C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	222701945	CYVQDMGJFRCMBR-XMMPIXPASA-N	595.718	2.871	0	40	KFAB	
CCCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	224025296	QXBVJHOIIJOOJU-JOCHJYFZSA-N	515.632	2.954	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCCN(Cc2ccccc2Cl)C1	224489739	WXTNEVNKDAIMJY-NRFANRHFSA-N	522.067	2.768	0	40	KFAB	
O=C(COc1ccc(N2C[C@@H](C(=O)NCCCN3CCOCC3)CC2=O)cc1)Nc1cccc(C(F)(F)F)c1	408580391	QLWCOJTVMOUCRB-IBGZPJMESA-N	548.562	2.914	0	40	KFAB	
COc1cccc(OC)c1C(=O)NN1C[C@H](C(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)CC1=O	408650522	BFFFGIBRHYLOJO-GFCCVEGCSA-N	510.330	2.686	0	40	KFAB	
CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(OC)c(OCC(=O)OC)cc2Br)C1=O	409011625	NYZHWSRXNXSPBE-XVBMGZJVSA-N	502.339	2.997	0	40	KFAB	
O=S1(=O)C[C@@H](N(c2ccccc2)S(=O)(=O)c2cc(Br)ccc2Br)[C@@H](O)C1	575421233	HLSLLBXJVPUAPV-CABCVRRESA-N	525.240	2.565	0	40	KFAB	
Cc1cc(Nc2ncc(-c3ccccc3)s2)nc(C2CCN(C(=O)CN3CCN(CCO)CC3)CC2)n1	585263424	ZBCVIIKAHQESNI-UHFFFAOYSA-N	521.691	2.968	0	40	KFAB	
CC(C)[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCCc2ccccc2)CCC(=O)N[C@H](C(C)C)C(=O)N1	643550698	GDTPGNCXTJYKOO-BXTSTYNKSA-N	550.700	2.988	0	40	KFAB	
CN1CC2(CCN(C(=O)c3ccc4ncccc4c3)CC2)C[C@@H](O)[C@@H](O)Cc2ccccc2OCC1=O	2037946841	BYQDWPQZHRZEAJ-LOSJGSFVSA-N	503.599	2.663	0	40	KFAB	
CC(C)(C)n1nnnc1CN(Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3	1373723	FEWITRLWYMUEIY-UHFFFAOYSA-N	504.547	2.972	0	40	KFAB	
CC(=O)O[C@H](C(=O)Nc1ccccc1C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)Nc1ccccc1C	8430015	ODNNSSVHYRRBGB-POYMRFPPSA-N	556.568	2.607	0	40	KFAB	
O=C(CSC1=Nc2ccccc2C2=N[C@H](CCC(=O)NC3CCCCC3)C(=O)N12)NC[C@@H]1CCCO1	9471932	MUIXFUPUYZUAIO-GHTZIAJQSA-N	511.648	2.903	0	40	KFAB	
O=C(Nc1ccccc1C(=O)N1CCOCC1)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1	26113322	LBQWVVMIJJIUMM-RUZDIDTESA-N	521.595	2.895	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1C	59837990	GHRFYBIVJVIPGJ-UHFFFAOYSA-N	559.710	2.804	0	40	KFAB	
C[C@@]12[C@@H]3[C@@H]4[C@@H]5[C@H]1[C@@H]1[C@H](CC[C@H]1[C@H]5[C@@]1(C)[C@@H](N5C(=O)CCC5=O)O[C@@H]5CC[C@H]3[C@H]5[C@@H]41)O[C@H]2N1C(=O)CCC1=O	104288671	WHKWKQIREHTRPI-XXZFSIIOSA-N	520.626	2.551	0	40	KFAB	
CC(C)CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	224298786	GKYNROZTANREGS-KRWDZBQOSA-N	507.584	2.510	0	40	KFAB	
CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225068505	FIAMNRCVRRBUSS-NRFANRHFSA-N	531.675	2.990	0	40	KFAB	
CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O	225400759	OBEVXQIERNHGFB-QHCPKHFHSA-N	505.637	2.803	0	40	KFAB	
COC(=O)[C@]1(Cc2ccc(O)cc2)N[C@H](c2cccs2)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21	229935785	SWAGACNLJXQZTJ-DVAKJLRASA-N	520.563	2.830	0	40	KFAB	
CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(S(=O)(=O)NC)ccc2C)C1	260734367	HXGOUEQLDSWMJX-INIZCTEOSA-N	530.068	2.995	0	40	KFAB	
CC(=O)Nc1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1	408686381	MZTFHDUWXAXRCE-CQQGMMLSSA-N	501.539	2.545	0	40	KFAB	
CC(C)=CCC[C@@](C)(O)[C@@H]1CC[C@]2(C)[C@H]3C[C@@H](O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)[C@@H]4C(C)(C)[C@H](O)CC[C@@]4(C)[C@@H]3C[C@H](O)[C@@H]12	2060999582	GSQSHJKCFFWWFN-BQMUSJAWSA-N	624.856	2.906	0	40	KFAB	
CCCCOC(=O)C1=C(N)OC(C)=C(C(=O)OCCOC)[C@@]12C(=O)Nc1ccc(Br)cc12	2231497	ZOROAHKWATWFBN-JOCHJYFZSA-N	509.353	2.646	0	40	KFAB	
COc1ccccc1CNC(=O)c1c(N)n(-c2ccc(S(N)(=O)=O)cc2)c2nc3ccccc3nc12	2286191	MRMDIAPIZCSRPA-UHFFFAOYSA-N	502.556	2.742	0	40	KFAB	
CCOC(=O)CNC(=O)[C@@H](c1ccc2ncccc2c1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1C	6089348	AOUCQDNNJPLTJA-HSZRJFAPSA-N	546.609	2.748	0	40	KFAB	
CCC[C@@H](C(=O)NCCC(C)C)N(C[C@@H]1CCCO1)C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1	6501146	ZWKCUODCIFHCKG-SFTDATJTSA-N	516.643	2.696	0	40	KFAB	
COc1cc([C@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2)ccc1O	6906760	SLBPYTQZHOJQCK-OAQYLSRUSA-N	509.588	2.985	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	8438742	SAQQJAPJHFATMU-RWTNITNYSA-N	524.595	2.920	0	40	KFAB	
COc1ccc(OCC(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccc(OC)c5)sc4n3)CC2)cc1	35536041	GKQIVJGZTYTVRF-UHFFFAOYSA-N	521.599	2.558	0	40	KFAB	
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C(=O)OC)CCN(CC)C4)cc2)CC1	97963395	GKAZSJFOFJDTPW-UHFFFAOYSA-N	564.686	2.628	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@H](C(=O)NC[C@@H]3CCCO3)c3ccc(C)o3)n2)cc1OC	100277686	BIHDQZRBDFXRFY-FNZWTVRRSA-N	564.599	2.917	0	40	KFAB	
CCOC(=O)CN(C(=O)C[S@](=O)CC(=O)Nc1ccc(C)cc1)[C@H](CC(C)C)C(=O)NCc1ccc(F)cc1	100331225	VLDVVMBURQXASA-HRDYMXONSA-N	561.676	2.944	0	40	KFAB	
COc1ccc(CCN2C(=O)NC(=O)[C@@]3(Cc4c(nc5c(C)cccn5c4=O)N4CCCCC[C@H]43)C2=O)cc1OC	101670326	KRUPUMUBIVHADI-JHOBJCJYSA-N	559.623	2.633	0	40	KFAB	
Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccccc2)c1	108887783	KEYSAHOAKIGRDY-UHFFFAOYSA-N	529.640	2.850	0	40	KFAB	
COCCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O	223297693	JMHFDAZHQGPCMC-MHZLTWQESA-N	523.655	2.981	0	40	KFAB	
CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	223622943	NCNVVDDOFURLSB-OAQYLSRUSA-N	515.632	2.952	0	40	KFAB	
COC(=O)CSc1nnc(NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)s1	224315141	JNISFWXPTIAFAR-UHFFFAOYSA-N	552.656	2.963	0	40	KFAB	
COC(=O)CSc1nnc(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)s1	225577199	VIXBXOFPCXCVAV-UHFFFAOYSA-N	508.603	2.646	0	40	KFAB	
CCOC(=O)CN1C(=O)/C(=c2/sc3n(c2=O)[C@@H](c2ccc4c(c2)OCO4)C(C(=O)OCC)=C(c2ccccc2)N=3)c2ccccc21	409386882	HEOWZWMVMITBSQ-JYRLHFSUSA-N	637.670	2.944	0	40	KFAB	
CN(C)CCCNC(=O)[C@@H]1CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)[C@H](Cc2ccccc2)COc2ccccc2C(=O)N1	643569579	KEVDXMIZYUEBSQ-LMERMFHRSA-N	627.786	2.823	0	40	KFAB	
CC(C)C[C@H]1NC(=O)C[C@@H](C(=O)NCCOc2ccc(F)cc2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC1=O	643575809	LTUIPSWGVMLBPK-AYQJTBPPSA-N	689.785	2.667	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccn(CC)n3)c(=O)n2[C@H]1c1ccc(Br)cc1	2788432	GGQGFWCJIWGZPM-WPNIOXTASA-N	501.406	2.777	0	40	KFAB	
COC(=O)c1cccc(NC(=S)N[C@H]2CO[C@@H]3[C@@H](Nc4nccc(-c5ccc(OC)cc5)n4)CO[C@H]23)c1	5396356	YINOQZCNHALDSR-MYDTUXCISA-N	521.599	2.872	0	40	KFAB	biogenic,in-vitro
COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccccc2NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1C	6144779	URDBFIIDDHSQGR-AWEZNQCLSA-N	540.554	2.817	0	40	KFAB	
O=C(COC(=O)c1ccc(Br)cc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl	25392849	OAPPUZGHTNDWLO-UHFFFAOYSA-N	517.785	2.919	0	40	KFAB	
COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1	59834448	OWBCOBLISQYQJZ-IBGZPJMESA-N	524.020	2.524	0	40	KFAB	
CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)CNS(=O)(=O)c1ccc(Br)cc1Cl	72104814	IOURROLIBNMLJF-UHFFFAOYSA-N	544.811	2.688	0	40	KFAB	
Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)O[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O	97980022	RTLFGPZMADZHIX-UKMAJIJPSA-N	562.048	2.586	0	40	KFAB	
CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(CCOC)CCOC)cc2)sc2c1CCN(CC)C2	100817680	BVMFLDHTKHCTJL-UHFFFAOYSA-N	553.703	2.839	0	40	KFAB	
Cc1ccc2nc(NC(=O)[C@@H]3SC(NCCN4CCOCC4)=C(C(=O)NCc4ccco4)C3=N)sc2c1	102928712	AQOHXBMVLJLKLS-OAQYLSRUSA-N	540.671	2.721	0	40	KFAB	
O=C(O[Sn](OC(=O)c1ccccn1)(c1ccccc1)c1ccccc1)c1ccccn1	196000241	HQGMJWTVQKNFQG-UHFFFAOYSA-L	517.129	2.747	0	40	KFAB	
Cn1c(=O)n(C)c2cc(NC(=O)C3CCN(S(=O)(=O)Cc4cccc(Br)c4)CC3)ccc21	216369849	VJEGRZRMJUQUKP-UHFFFAOYSA-N	521.437	2.820	0	40	KFAB	
CS(=O)(=O)N(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NCCO)Cc1ccccc1	223083300	ASTNLZPYHCDSPS-SANMLTNESA-N	558.100	2.850	0	40	KFAB	
CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	224765657	FLVDPBUOCPLLOJ-FQEVSTJZSA-N	517.648	2.866	0	40	KFAB	
COc1cccc(C(=O)N2CCO[C@@](COc3cccc(Cl)c3)(CC(=O)N3CCN(C)CC3)C2)c1	257321834	WDLDDJFUEJUFPQ-SANMLTNESA-N	502.011	2.803	0	40	KFAB	
COc1ccc(CN(C(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)[C@H](C)C(=O)NC(C)C)cc1	260761389	UAUOGYAQZPQISA-HXUWFJFHSA-N	547.674	2.955	0	40	KFAB	
O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc(Br)cc2)C1)Nc1ccc(Br)cc1	408663529	YNJKRCXGJJXINB-ZDUSSCGKSA-N	539.180	2.887	0	40	KFAB	
COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(C)cc2)c1	12706248	MHJVWYBKLHGAAD-KNQAVFIVSA-N	523.615	2.825	0	40	KFAB	
C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1	12978236	VWTOETCPMQEPDG-HDMKZQKVSA-N	517.442	2.710	0	40	KFAB	
CCOC(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(OC)c(Cl)c2)CC1	22246792	YDBNQAORUIPFTL-FQEVSTJZSA-N	510.012	2.539	0	40	KFAB	
COc1ccc(CC(=O)N2CC[C@@H](CC(=O)O)[C@@H](CCN3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)C2)cc1	67870982	VTFJENNTYBXERH-NEWJYFPISA-N	507.631	2.848	0	40	KFAB	biogenic,in-vitro
CC(=O)OC[C@H]1O[C@@H](SCCOc2ccc(Br)cc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	70673430	ZDUHEZBXPHVNCZ-FXTUREPZSA-N	563.419	2.644	0	40	KFAB	
CC(=O)Nc1ccc(S(=O)(=O)N[C@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=S)n3CCc2ccccc2)cc1	100181398	OFPKHYHYMPOYHZ-QFIPXVFZSA-N	567.571	2.795	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	222486827	HTPLNAXPUKJJLL-XMSQKQJNSA-N	515.632	2.952	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C	222571914	BGBMVKGEYGUNRS-RUZDIDTESA-N	526.634	2.825	0	40	KFAB	
COc1cccc(CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@H](C)C(=O)NC2CCCCC2)c1	224942955	NLEVKRITYMICKW-GOSISDBHSA-N	513.616	2.706	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	224997120	LAVQBLNQNIQFNY-WOJBJXKFSA-N	517.648	2.946	0	40	KFAB	
CS(=O)(=O)N1CCc2cc(C(=O)N3C[C@@H](C(=O)NCCc4ccccc4)Oc4ccccc43)ccc21	225842932	UPBFXDHDTOSRKE-VWLOTQADSA-N	505.596	2.775	0	40	KFAB	
CS(=O)(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc2c(c1)OCO2	408702217	AFZCCIJNPBOPLA-UHFFFAOYSA-N	538.629	2.858	0	40	KFAB	
CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3cc(I)c(OCC(=O)O)c(OC)c3)c2=O)=N1	409036417	RHCIPZFSLYIFJR-BHSBJAHRSA-N	634.448	2.875	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OCCCn3ccnc3)c(OC)c2)C[C@](O)(COc2ccc(F)c(F)c2)C1	585273901	FYWCZNNIUFMYDU-GDLZYMKVSA-N	574.625	2.740	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OCCn3c(=O)n(C)c4ccccc43)cc2)C[C@@](O)(COc2ccc(F)cc2)C1	585274753	ZAXVGBVADUXILQ-YTTGMZPUSA-N	592.668	2.659	0	40	KFAB	
CC1(C)CCCN(CC(=O)N2CCN(S(C)(=O)=O)CC2)Cc2cccnc2Oc2ccccc2OC1	643575975	UYYXNWVNSNKYCV-UHFFFAOYSA-N	516.664	2.979	0	40	KFAB	
Cc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@@H](C(=O)NC3CCCCC3)c3cccs3)n2)o1	888476	KIQXGRCAOFOUDJ-XMMPIXPASA-N	541.678	2.654	0	40	KFAB	
CC(C)C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc2c(c1)OCO2)C(=O)c1snc(C(N)=O)c1N	6135002	NKXZWESSZPJHOG-INIZCTEOSA-N	501.609	2.669	0	40	KFAB	
CCOC(=O)CNC(=O)[C@@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)c(C)c1	6546784	HJEXHYLOQRCRAA-JOCHJYFZSA-N	539.614	2.517	0	40	KFAB	
COc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(C4CCCCC4)CC3)c(=O)[nH]c2c1	20080205	SLUWIEWNJCDESY-WIOPSUGQSA-N	507.639	2.742	0	40	KFAB	
O=C(C1CCN(S(=O)(=O)CCCc2ccccc2)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	26111605	MELDUYNFPBGKJI-UHFFFAOYSA-N	513.660	2.734	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	59418454	CWHBYFPCTWWUCG-RWTNITNYSA-N	522.579	2.741	0	40	KFAB	
CSC[C@@H](NC(=O)[C@@H](CSC)NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)OC(C)(C)CC3)C(=O)O	103509681	NIBQZUNVWYMGNB-QZTJIDSGSA-N	536.672	2.528	0	40	KFAB	
CN1C(=O)N(C)C(=O)C(Cc2ccc(OC[C@@H](O)c3ccccc3)cc2)(CN2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)C1=O	103542808	VOYKGCIIGXHHRT-YRLRHBCXSA-N	584.673	2.659	0	40	KFAB	
CCCNS(=O)(=O)c1ccc(OCC(=O)N2C[C@H](C(=O)NCCc3ccccc3)Oc3ccccc32)cc1	222666619	LJLCYOFIXJSNIV-AREMUKBSSA-N	537.638	2.907	0	40	KFAB	
CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	225434362	RJUCUUBWMZKWFY-QFIPXVFZSA-N	519.664	2.846	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccccc43)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1	409084172	AEQPJBMEHWFGSQ-LCPUNJGISA-N	554.422	2.892	0	40	KFAB	
CCc1nccn1CCOc1cc(CN2CCN(C(=O)COC)C[C@@](O)(COc3cc(F)cc(F)c3)C2)ccc1OC	585274673	LXRGFIIGZIWPBU-SSEXGKCCSA-N	588.652	2.912	0	40	KFAB	
COc1ccc(NC(=O)CN2CCC[C@]3(CC=CCOc4ccccc4C(=O)NCCNC3=O)C2)cc1	2037879750	NVBVRGRWULSHFP-MUUNZHRXSA-N	506.603	2.601	0	40	KFAB	
Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCC(C(=O)NCC3CCC(C(=O)O)CC3)CC2)C(C)C)cc1	8918116	UPMBWOOGCYONLX-IRSIHTCSSA-N	521.680	2.544	0	40	KFAB	biogenic
Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1	33028998	ONRLRPCQEOULHZ-UHFFFAOYSA-N	513.641	2.620	0	40	KFAB	
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(F)c(F)c3)S(C)(=O)=O)cc2)n1	59924291	LKMYIYXBKJWCEM-UHFFFAOYSA-N	525.559	2.577	0	40	KFAB	
O=S(=O)(NC1CCCC1)c1ccc(S(=O)(=O)N2CCC(c3nc(O)c4nnn(Cc5cccc(F)c5)c4n3)CC2)cc1	100471688	CLAVSGURRGNZJZ-UHFFFAOYSA-N	615.713	2.904	0	40	KFAB	
O=C(O)CN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@H]2C1=O)[C@H]1Sc2[nH]c(=O)sc2[C@H](c2ccc(Br)cc2)[C@H]31	102865362	BKXAIHBEWJHDDZ-DLCVOAQBSA-N	521.414	2.757	0	40	KFAB	
CN(C)S(=O)(=O)c1cc(NC(=O)COC(=O)[C@@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)ccc1Cl	103067934	UVIJDZIABIWITF-FDDCHVKYSA-N	556.037	2.802	0	40	KFAB	
CCOC(=O)c1c(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)sc2c1CCCC2	103113572	JITFTOAHIPMLBU-UHFFFAOYSA-N	536.628	2.620	0	40	KFAB	
CCCOc1c(I)cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1OC	106709476	RNKSZUJSOCRZDU-WJDWOHSUSA-N	546.383	2.984	0	40	KFAB	
CN(C)S(=O)(=O)c1cccc(/N=C2\S[C@@H](CC(=O)Nc3cccc([N+](=O)[O-])c3)C(=O)N2C[C@@H]2CCCO2)c1	109050236	UINYSFFWXJFRHL-NZQVPPJJSA-N	561.642	2.984	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	222467174	OLXMYTXHPXHYIO-LAUBAEHRSA-N	501.605	2.562	0	40	KFAB	
COc1ccccc1CNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)CN(C)S(C)(=O)=O	223332117	DRJGFCGHUSVKRE-AREMUKBSSA-N	509.628	2.973	0	40	KFAB	
CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O	224120897	NFQCVDFXJNCNSD-OAQYLSRUSA-N	503.621	2.905	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O	225390887	NSROSKIUVRBOLB-CQSZACIVSA-N	502.420	2.931	0	40	KFAB	
CCOc1ccc(/C=C2/SC(=O)N(CCNC(=O)[C@@H]3CS[C@]4(C)CCC(=O)N34)C2=O)cc1OC	254343497	PYKTUFMYUVOBIR-CYQJTRJFSA-N	505.618	2.700	0	40	KFAB	
COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cccc(OCC(=O)O)c4)c(=O)n32)cc1	408832549	UMIVJTUKNZONSY-NIQJEMAJSA-N	522.579	2.659	0	40	KFAB	
COC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCC(=O)O)c3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC	408934772	CYFJOQSWFWGLRQ-CVUKOHAISA-N	528.970	2.534	0	40	KFAB	
COCC(=O)N1C[C@H](CC(C)C)N(C(=O)/C=C/c2ccc(F)cc2Cl)CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)C1	643551578	VRNOWXDTIHGEJK-BNICSSRHSA-N	573.102	2.758	0	40	KFAB	
CC(C)[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCc2ccccc2)CCC(=O)NC2(CCCC2)C(=O)N1	643571767	IMCJQKRIENRRNO-DQEYMECFSA-N	548.684	2.886	0	40	KFAB	
CCC(=O)OCCC(=O)O[C@@H]1[C@@H](N(C)C)C[C@@H](C)O[C@@H]1O[C@@H]1[C@@H](C)[C@H](O[C@H]2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[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@]1(C)O	1547138066	OZJXTWMDBPQRGI-ZIHHJQKUSA-N	862.064	2.680	0	40	KFAB	
NC(=S)N[C@@H]1O[C@@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1	4901148	GSDZPETYJHGMLP-GSPCLOLRSA-N	520.563	2.853	0	40	KFAB	
COc1ccc(CN(Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)Cc2nnnn2C[C@H]2CCCO2)cc1	57640443	HTGQTGUIYUOFKF-JOCHJYFZSA-N	518.574	2.676	0	40	KFAB	
COc1ccc(NS(=O)(=O)c2cc(NS(=O)(=O)c3ccc4c(c3)OCCO4)ccc2N2CCOCC2)cc1	100981122	RAYNIIUEALKXKW-UHFFFAOYSA-N	561.638	2.905	0	40	KFAB	
CCOC(=O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)[C@H]1/N=N\c1ccc(S(=O)(=O)O)c2ccccc12	111863520	BINQBZMJVFDZFB-OAFDPHIXSA-N	546.539	2.751	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O	222468878	RUUGNGIZOLKPSB-QGZVFWFLSA-N	510.454	2.995	0	40	KFAB	
CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	222646398	WUEYUJIVUWMDHN-OAQYLSRUSA-N	510.607	2.910	0	40	KFAB	
CN1CC(=O)NCCCOc2ccccc2C(=O)N[C@H](C(=O)O)CCC(=O)N(C)[C@@H](Cc2ccccc2)COc2ccccc2C1=O	643570054	GWMOCTXRIHSSGL-LSYYVWMOSA-N	644.725	2.769	0	40	KFAB	
COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)NCCN4CCN(c5cccc(Cl)c5)CC4)ccc3c2=O)cc1	4766615	RIMUCQKTXZBAFV-UHFFFAOYSA-N	548.043	2.952	0	40	KFAB	
CCOc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(Cc2ccc(OC)cc2)C(=O)c2snc(C(N)=O)c2N)cc1	6601443	CKSRHXMNPRMCAA-QPPBQGQZSA-N	567.668	2.910	0	40	KFAB	
COCCNC(=O)[C@H](c1ccc(C)o1)N(Cc1ccccc1Cl)C(=O)c1snc(C(N)=O)c1N	12467596	IVCOPHFMBCPDPO-SFHVURJKSA-N	505.984	2.525	0	40	KFAB	
C[C@@H](O)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OCc1ccccc1	19892074	CHTJGNNQGAAYAL-NGXZDTIWSA-N	506.555	2.839	0	40	KFAB	
O=C(CSC1=Nc2ccccc2C2=N[C@H](CCC(=O)N3CCN(c4ccccc4)CC3)C(=O)N12)NC[C@@H]1CCCO1	33356296	ONXZYQIJFCFMMM-WIOPSUGQSA-N	574.707	2.803	0	40	KFAB	
COc1ccc(CNC(=O)CN2CCN(S(=O)(=O)c3cc(Br)ccc3Br)CC2)cc1OC	38145413	JNSFFJPWUXZRRG-UHFFFAOYSA-N	591.322	2.852	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1	66148001	ORBWOSGHCKXGIO-RTBURBONSA-N	551.687	2.920	0	40	KFAB	
COc1cc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)ccc1OCC(=O)N1CCOCC1	103020003	LCVZWQYJRIHVLG-PMACEKPBSA-N	545.658	2.852	0	40	KFAB	
CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225566672	VRXUBQOKEXGYQK-QGZVFWFLSA-N	524.039	2.819	0	40	KFAB	
O=C(Nc1nnc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)s1)c1ccccc1Cl	225693702	VMFLSAPBCKNWNV-UHFFFAOYSA-N	522.008	2.679	0	40	KFAB	
Cc1cc(NC(=O)COc2ccc(N3C[C@H](C(=O)NC[C@@H](C)O)CC3=O)cc2)ccc1Br	408580982	SDTSIFKJTCXARB-HZPDHXFCSA-N	504.381	2.625	0	40	KFAB	
COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cccc(OCC(=O)O)c4)c(=O)n32)cc1	408832538	UMIVJTUKNZONSY-DNQIBQKISA-N	522.579	2.659	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCC(=O)O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409043120	ZQKMZOKJYWFNAL-TWBUYNNTSA-N	766.563	2.825	0	40	KFAB	
COC(=O)c1ccccc1NC(=O)[C@@H](OC(=O)c1ccc(OC(C)=O)c(OC)c1)[C@@H](OC(=O)c1ccc(OC(C)=O)c(OC)c1)C(=O)O	409383510	WBICTHMRHGOEAE-RRPNLBNLSA-N	667.576	2.815	0	40	KFAB	
CC(C)CCO[C@@H]1CN(C(=O)c2ccccc2F)CCN(C(=O)c2ccc(CN)cc2)CCCCOC[C@@H](O)[C@H]1O	643551581	VVXPTRNRGBHQAH-MPFGFTFXSA-N	573.706	2.833	0	40	KFAB	
CCOC(=O)CNC(=O)[C@H](c1ccc(OCC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(C)c1	6601367	YPAZKLJJQVZHCN-QFIPXVFZSA-N	539.614	2.599	0	40	KFAB	
CC(C)(C)c1ccc(CN(C(=O)c2nc(S(C)(=O)=O)ncc2Cl)[C@H]2CCS(=O)(=O)C2)cc1	16752731	SJSJZYWWHWDZIV-INIZCTEOSA-N	500.042	2.661	0	40	KFAB	
COc1cc([C@H]2NC(=S)N3[C@H](c4cc(OC)c(OC)c(OC)c4)NC(=S)N23)cc(OC)c1OC	17146158	MDHYGXSDGHLACD-BGYRXZFFSA-N	506.606	2.731	0	40	KFAB	
COc1ccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4ccc(F)cc4)CC3)c(=O)[nH]c2c1	19940439	TWUBEGKCYDFNLS-DHLKQENFSA-N	519.581	2.753	0	40	KFAB	
CN1C(=O)N(C)C(=O)C(Cc2ccc(OC[C@H](O)c3ccccc3)cc2)(CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)C1=O	70672284	VOYKGCIIGXHHRT-CKOJHNACSA-N	584.673	2.659	0	40	KFAB	
COc1ccc(Cc2nn([C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)c(=S)n(-c3ccc(OC)cc3)c2=O)cc1	82186653	GGRYTMHFAXMTQD-JTODZQAJSA-N	685.708	2.627	0	40	KFAB	
CC[C@@H](CCNC(=S)Nc1cccc(S(=O)(=O)N(C)C)c1)NC(=S)Nc1cccc(S(=O)(=O)N(C)C)c1	97981365	JOUYGPVQPZSGJN-KRWDZBQOSA-N	586.831	2.629	0	40	KFAB	
C[C@]12CC[C@H]3[C@@H](CCC4=C[C@H](O[C@H]5O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]5O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1ccc(=O)oc1	118929826	PXOPSICDLOGGMK-NIHLQATESA-N	530.658	2.871	0	40	KFAB	
O=S(=O)(Cc1cccc(Br)c1)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1	224341977	NJEQXNCLLWLQEJ-UHFFFAOYSA-N	503.440	2.732	0	40	KFAB	
COC(=O)C[C@@H](c1ccc2c(c1)n(C)c(=O)n2C)c1oc(CN2CCc3ccccc3C2)cc(=O)c1O	524730838	YZAQUTQTAHEHIX-NRFANRHFSA-N	503.555	2.789	0	40	KFAB	biogenic
COc1cccc(CCCNC(=O)[C@@H]2CC(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)CCOc3ccccc3C(=O)N2)c1	643565668	GLJBWEMJNHTQEA-NSOVKSMOSA-N	586.689	2.511	0	40	KFAB	
CC(C)C[C@H]1COc2ccccc2C(=O)NCCCOc2ccccc2C(=O)N[C@H](C(=O)NCCc2cnccn2)CCC(=O)N1	643570164	OGEIFBQOAGPHBQ-LSYYVWMOSA-N	630.746	2.836	0	40	KFAB	
CO[C@@H]1CN(C(C)=O)C[C@H](CC(C)C)N(C(=O)Cc2ccc(Cl)cc2)CCCCOC[C@@H](O)[C@H]1O	643586360	UXOJDQKAIAWCCH-POMLREGLSA-N	513.075	2.522	0	40	KFAB	
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C(=O)c4cc(OC)c(OC)c(OC)c4)CC3)cc21	1250934	LWSQAOYBZGCGMJ-UHFFFAOYSA-N	513.522	2.847	0	40	KFAB	
COC(=O)C1=C(N)OC(C)=C(C(=O)OC(C)C)[C@@]12C(=O)N(CC(=O)OCc1ccccc1)c1ccccc12	2212144	ATAYBHPALYEHRF-MUUNZHRXSA-N	520.538	2.614	0	40	KFAB	
COc1ccc(-n2c(=O)[nH]c3cc(C(=O)NCCc4ccc(OC)c(OC)c4)ccc3c2=O)c(OC)c1	4792949	PEVHXOMIUANABB-UHFFFAOYSA-N	505.527	2.686	0	40	KFAB	biogenic
CCC[C@H](C(=O)NCCC(C)C)N(CCc1ccc(OC)c(OC)c1)C(=O)c1snc(C(N)=O)c1N	6501452	WJYCJAVNOVHLSB-QGZVFWFLSA-N	519.668	2.857	0	40	KFAB	
COc1ccc([C@@H](CC(=O)NCC(=O)O)NC(=O)CCc2c(C)c3ccc(OC)c(C)c3oc2=O)cc1OC	11867540	HRPQDVLMESEMGF-HXUWFJFHSA-N	540.569	2.817	0	40	KFAB	biogenic
CN(C)S(=O)(=O)c1ccc(NC(=O)COC(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)cc1	14359339	NUIAOQICRZHMCV-UHFFFAOYSA-N	523.567	2.648	0	40	KFAB	
CCOC(=O)N1CCN(C(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)CC1	20239304	BHBADOSYWMBKFK-UHFFFAOYSA-N	505.593	2.508	0	40	KFAB	
CCOc1ccc(N([C@@H](C)C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2OC)S(C)(=O)=O)cc1	20459672	SAROJMZDMNSTMR-KRWDZBQOSA-N	525.649	2.672	0	40	KFAB	
COc1ccc(C(=O)N2CCN(c3ncccn3)CC2)cc1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1	103050461	FMXJTOBPMNSYJX-UHFFFAOYSA-N	557.076	2.612	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O	222377523	QYBWZRFXQUHASN-KRWDZBQOSA-N	510.454	2.995	0	40	KFAB	
CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	223004122	NSYIKAAVHRRDAJ-MUUNZHRXSA-N	565.692	2.863	0	40	KFAB	
CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	223181127	ZJOAKSWVWXHIGW-FQEVSTJZSA-N	524.039	2.821	0	40	KFAB	
CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	225093015	ZEPKIIDEZNGZEM-QFIPXVFZSA-N	517.648	2.948	0	40	KFAB	
CCc1ccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@@H](C)C(=O)NC)S(C)(=O)=O)cc1	225483156	VTXVICDXXGXRQZ-INIZCTEOSA-N	510.454	2.941	0	40	KFAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	409087639	JGAFTOPHZIIJJV-VOZFUJEASA-N	524.643	2.780	0	40	KFAB	
COc1ccc([C@H](CC(=O)Nc2ccc(C(=O)NCC(=O)O)cc2)c2c(O)cc(C)oc2=O)c(OC)c1OC	524730453	JOYDMNWJBUHQIR-SFHVURJKSA-N	540.525	2.655	0	40	KFAB	biogenic
O=C1C[C@@H](C(=O)NCCCn2ccc(C(F)(F)F)n2)NC(=O)c2ccccc2OC[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N1	643567259	XBWWBUPYQCUZJI-VJTSUQJLSA-N	640.663	2.708	0	40	KFAB	
CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(=O)[C@@H](C)[C@H](C)c4ncccc4C(=O)OC[C@@]4(C)O[C@]1([C@@H](OC(=O)c1ccco1)[C@H]4[C@H](OC(=O)c1cccnc1)[C@@H]2OC(C)=O)[C@]3(C)O	2061000517	PMRSIAJYXABCTQ-RDZJRWGESA-N	920.874	2.609	0	40	KFAB	
CCOC(=O)CNC(=O)[C@@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)c(Cl)c1	6546744	JFVKFLHBXAOQOF-HXUWFJFHSA-N	546.005	2.559	0	40	KFAB	
Cc1cc(NC(=O)COC(=O)c2cc(S(=O)(=O)N3CCN(c4ccccc4)CC3)ccc2Cl)no1	13141005	KQDFDGXUHDFNKR-UHFFFAOYSA-N	518.979	2.943	0	40	KFAB	
COC(=O)C1=C(C(=O)OC)[C@H]2c3cccc4cccc(c34)[C@]2(N2CCCC2)C(C(=O)OC)=C1C(=O)OC	19923654	LPTCPUXFVDNFRI-SKCUWOTOSA-N	505.523	2.527	0	40	KFAB	
COc1cc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@H]2CCCO2)c2cccs2)ccc1-n1cnnn1	33356972	UNNZKLTVZSBKKV-BCHFMIIMSA-N	573.639	2.547	0	40	KFAB	
C/C(=C\C(=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	33838877	MINDHVHHQZYEEK-QDFBCEBWSA-N	500.629	2.593	0	40	KFAB	
COc1ccc(CCNC(=O)COc2coc(CN3CCc4cc(OC)c(OC)cc4C3)cc2=O)cc1	49543650	HJJBCSQCQKKITA-UHFFFAOYSA-N	508.571	2.962	0	40	KFAB	biogenic
CCCCn1c(CCC(=O)OCC(=O)Nc2ccc(OC)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	103061032	REASAJIXDXXXFG-UHFFFAOYSA-N	558.657	2.980	0	40	KFAB	
CC(=O)OC[C@H]1O[C@H](Oc2ccc3c(=O)c(-c4cscn4)c(C)oc3c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	170623044	QLPBVUOEXHYSIY-XROHALNKSA-N	589.575	2.687	0	40	KFAB	
CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	222636652	PWRDQXLWFQORTD-OAQYLSRUSA-N	521.611	2.695	0	40	KFAB	
COc1ccc(CNC(=O)[C@H](C)N(Cc2ccccc2)C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	222701713	LWKKYGCFJMHHKE-QHCPKHFHSA-N	581.691	2.829	0	40	KFAB	
CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O	222825940	FLBMLXWPPLRFOT-NRFANRHFSA-N	505.637	2.802	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)cc1	224233575	NHCPAXWNPGREQZ-UHFFFAOYSA-N	523.658	2.632	0	40	KFAB	
CC[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)N(c1cc(Cl)ccc1C)S(C)(=O)=O	224256489	PLEZBIWHIXWTMJ-HXUWFJFHSA-N	532.084	2.639	0	40	KFAB	
CC(C)c1ccccc1N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)S(C)(=O)=O	224317650	PNLDEVMTPDUCPF-UHFFFAOYSA-N	523.677	2.556	0	40	KFAB	
Cc1ccccc1N(CCCC(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)S(C)(=O)=O	224411888	UHGUEUDVUYBAPV-UHFFFAOYSA-N	537.704	2.911	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	224859062	QSCCLHUMYQWLCS-QGZVFWFLSA-N	509.600	2.552	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	225190299	JJTDAKNEXVXSEB-GOSISDBHSA-N	510.607	2.911	0	40	KFAB	
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(N)=O	245380251	USXRRKPOSGWVFO-VABKMULXSA-N	577.723	2.743	0	40	KFAB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OC)c(OC)c4)c(=O)n32)cc1OCC	408933440	JQPDEVIORFEPLU-XKKBFUJGSA-N	524.595	2.833	0	40	KFAB	
CCOc1c(OC)cccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3cc4c(cc3C)OCO4)c(=O)n21	408972711	VAGCFEBZLWCBPU-ZDGAQAAHSA-N	566.632	2.869	0	40	KFAB	
CCOC(=O)CN1C(=O)/C(=c2/sc3n(c2=O)[C@H](c2ccc4c(c2)OCO4)C(C(=O)OCC)=C(c2ccccc2)N=3)c2ccccc21	409386880	HEOWZWMVMITBSQ-FPHZCIQXSA-N	637.670	2.944	0	40	KFAB	
COc1ccc(C(=O)CN(c2ccc(NC(=O)c3ccc(OC)c(OC)c3)cc2)[C@H]2CS(=O)(=O)C[C@@H]2O)cc1OC	575422115	LAVXJXDPYNZIDJ-UPVQGACJSA-N	584.647	2.821	0	40	KFAB	
CC(=O)O[C@@H]1[C@H](O)CO[C@H](O[C@@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@H]([C@@]6(C)CC[C@@H](C(C)(C)O)O6)[C@@H](O)C[C@@]3(C)[C@@H]5C[C@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@@H]3O)[C@H]4C2(C)C)[C@@H]1OC(C)=O	605854529	TZHGYWCJIXHMJK-QXXWOVNZSA-N	839.029	2.505	0	40	KFAB	
CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccccc1	645957	NAGBEWWMGPIYQK-UHFFFAOYSA-N	559.666	2.940	0	40	KFAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)c4nn(C)c(C(F)(F)F)c4Br)[C@H]3SC2)s1	2784625	JEQZXDUZWMVFNC-LKFCYVNXSA-N	599.436	2.506	0	40	KFAB	
O=C(CSc1ncccc1C(=O)OCCN1C(=O)c2ccccc2C1=O)Nc1ccc2c(c1)OCO2	3332029	WLYFKSMZEQZDCV-UHFFFAOYSA-N	505.508	2.994	0	40	KFAB	
CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)C(N)=O	4017038	XSHSLEAKGXFOLI-SYQUUIDJSA-N	724.900	2.999	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3OC)c(=O)n2[C@H]1c1cc(OC)ccc1OC	6488926	KUNXZDXYCPUDJW-XOBACGFXSA-N	524.595	2.833	0	40	KFAB	
O=C(CS(=O)(=O)c1cn(CC(=O)N2CCCCCC2)c2ccccc12)NCc1ccc2c(c1)OCO2	9519829	QIVVAOAIVCXMDE-UHFFFAOYSA-N	511.600	2.863	0	40	KFAB	
Cc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2F)o1	12715061	BKPCITLETFWHLI-YJYMSZOUSA-N	501.540	2.548	0	40	KFAB	
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3ccccc3)S(C)(=O)=O)cc2)n1	20458898	TUTVUCRXCXZJIP-KRWDZBQOSA-N	503.606	2.687	0	40	KFAB	
COC(=O)C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1ccc(C)cc1	24980542	PMXSUJQRYSFXFS-OAQYLSRUSA-N	502.589	2.588	0	40	KFAB	
CC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1	59816496	ZNWLQYFXUANNIK-GDLZYMKVSA-N	567.690	2.952	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)C2CCCCC2)cc1	59838097	NCPKVQNTBKWIAB-UHFFFAOYSA-N	537.704	2.975	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(N4CCOCC4)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	100225544	SJTKREGAKLEHGI-FNUHDPNESA-N	602.463	2.719	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O	222567455	XHDGPIVGBSWTRZ-MRXNPFEDSA-N	510.012	2.778	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O	223449743	KNPPXWYAOCUELB-IBGZPJMESA-N	517.648	2.997	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1Cl	226062087	BGIBXHDCHKJLCV-UHFFFAOYSA-N	504.030	2.557	0	40	KFAB	
CN(C[C@@]1(O)CCCN(c2ccnc3cccnc23)C1)C(=O)c1ccc(OCCN2CCCC2=O)cc1	257276056	NSEUILBUVVODKO-NDEPHWFRSA-N	503.603	2.735	0	40	KFAB	
COc1ccc(N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c(OC)c1	261030501	WZROHFFAHRNJGN-GOSISDBHSA-N	505.637	2.802	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCC(=O)O)c(OC)c3)c(=O)n2[C@H]1c1ccccc1	408827985	IFLMGWRNBVPGFY-LPRAYXGFSA-N	634.448	2.875	0	40	KFAB	
COCC(=O)N1CCN(Cc2cccc(OCCN3CCCC3)c2)C[C@](O)(COc2ccc(F)c(F)c2)C1	585280995	UYGGWJHUWBWJDZ-MUUNZHRXSA-N	533.616	2.540	0	40	KFAB	
COc1ccc(CCNC(=O)[C@@H]2CCC(=O)NC3(CCCC3)C(=O)N[C@H](C(C)C)COc3ccccc3C(=O)N2)cc1	643571461	AWOOOJCTPVROPB-UIOOFZCWSA-N	578.710	2.895	0	40	KFAB	
COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1C	59929741	MTXBREIJOKFDEH-VWLOTQADSA-N	551.665	2.966	0	40	KFAB	
CC(=O)N(C[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1)C[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1	77301858	KZYMHNDGSFJVMU-ZEQRLZLVSA-N	615.634	2.837	0	40	KFAB	in-vitro
CCOC(=O)C1=C(Cn2c(Nc3ccc(C)cc3)nc3c2c(=O)n(C)c(=O)n3C)N(C)C(=O)N[C@@H]1c1ccccc1	100227599	HGDNBMQVYPWAMG-JOCHJYFZSA-N	557.611	2.699	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3OC)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1	100263024	GCMADUSEPXWWKK-XOYGFPHKSA-N	554.621	2.841	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN(c3cc(C(F)(F)F)ccc3Cl)S(C)(=O)=O)CC2)cc1	113634010	ZMYUYRORAIJPJD-UHFFFAOYSA-N	554.012	2.966	0	40	KFAB	
CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CC(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)O	150340288	WHOPFGFKWFYQSR-VJBGVNKVSA-N	747.975	2.588	0	40	KFAB	
CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	222880372	UQVPQWKZXHDYEU-JOCHJYFZSA-N	533.647	2.564	0	40	KFAB	
O=C(C1CC1)N1CCc2cc(S(=O)(=O)NCCOc3ccc(S(=O)(=O)N4CCCCC4)cc3)ccc21	224422939	WDGYPPXTLAHKHC-UHFFFAOYSA-N	533.672	2.518	0	40	KFAB	
Cc1cccc(CN(C(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C)c1	260924035	UWTVZUZUQXOBSE-HXUWFJFHSA-N	517.648	2.722	0	40	KFAB	
COC(=O)c1cc(NC(=O)COc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc(C(=O)OC)c1	408603617	GOZPLOWNVMWUCQ-UHFFFAOYSA-N	504.561	2.698	0	40	KFAB	
COc1cccc(OC)c1C(=O)NN1C[C@@H](C(=O)OCC(=O)Nc2cc(C)c(Br)cc2C)CC1=O	408661952	WMPMPBBLACHAGA-HNNXBMFYSA-N	548.390	2.758	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\[C@@H]3C(=O)NC(=S)N(c4ccccc4)C3=O)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1	409037638	YBUAZFKZOMIQOM-TWVSMTPISA-N	634.736	2.610	0	40	KFAB	
COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)ccc1OCC(=O)N1CCOCC1	409195721	KIUNKBHMQXKHKT-HMAPJEAMSA-N	525.583	2.916	0	40	KFAB	
Cn1cc(CCC(=O)N2CC[C@@H]3NC(=O)[C@@H](Cc4ccccc4)NC(=O)C4(CC=CC[C@@H]3C2)CCOCC4)cn1	1615124203	RKPLTJNLIGWZDB-KWXIBIRDSA-N	547.700	2.560	0	40	KFAB	
COc1ccccc1C(=O)N1CCO[C@@](COc2cccc(Cl)c2)(CC(=O)N2CCN(C)CC2)C1	2037905338	JCTHHUOTUHPWFR-SANMLTNESA-N	502.011	2.803	0	40	KFAB	
C[C@H]1COC[C@@H](C)N1CC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)CN3[C@@H](C)COC[C@H]3C)cc2)cc1	4963291	QVGHCTDLXSPMIS-COPRSSIGSA-N	558.701	2.615	0	40	KFAB	
COc1ccc([C@@H](C(=O)NCCC(C)C)N(Cc2ccco2)C(=O)c2snc(C(N)=O)c2N)cc1OC	6134434	CHOOEMRWXGEEBQ-NRFANRHFSA-N	529.619	2.980	0	40	KFAB	
C[C@@H](C(=O)NC1CCCC1)N(C(=O)C[S@@](=O)CC(=O)Nc1ccc(F)cc1)c1ccc2c(c1)OCCO2	8666914	AVAFVJUTTCCPCU-OUQHYPROSA-N	531.606	2.765	0	40	KFAB	
CCOc1cc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(C(=O)OC)Nc3nnnn32)ccc1O	10232022	RVICYOCNJODODA-SFHVURJKSA-N	500.309	2.865	0	40	KFAB	
COc1ccc(CCN2C(=O)[C@H]3C4C=CC([C@H]3C2=O)[C@H]2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)[C@H]42)cc1OC	17285726	UGZMPGJVXRAOPR-SDPVXEBESA-N	574.630	2.524	0	40	KFAB	
CCOC(=O)/C=c1\s/c(=C/c2ccc(OCc3ccccc3)cc2)c(=O)n1CC(=O)N1CCC(C)CC1	33502725	JNQALONDTIXLDR-BTCPDESZSA-N	520.651	2.920	0	40	KFAB	
COc1ccc(OC)c(NC(=O)CSc2ccc3nnc(CCNS(=O)(=O)c4ccc(C)cc4)n3n2)c1	100928562	LFBBTOQIEXTBBL-UHFFFAOYSA-N	542.643	2.702	0	40	KFAB	
CC1CCN(S(=O)(=O)N2CCN(C(=O)c3cc(Br)cc(Br)c3O)CC2)CC1	102798331	YVYJOSMQKVPZRW-UHFFFAOYSA-N	525.263	2.652	0	40	KFAB	
COc1ccc(C(=O)NC(=S)N[C@@H]2CCCC[C@H]2NC(=S)NC(=O)c2ccc(OC)c(OC)c2)cc1OC	102929550	FQYRLZYUJDRJOK-QZTJIDSGSA-N	560.698	2.941	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1OC)S(C)(=O)=O	222658854	FFBARPVPVYGGIC-CQSZACIVSA-N	502.420	2.931	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O	222798763	QEBNHTNZRSUXSE-AWEZNQCLSA-N	502.420	2.931	0	40	KFAB	
Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)s1	225838628	ZKUPPEFRFIRRLE-HNNXBMFYSA-N	501.590	2.808	0	40	KFAB	
COc1cccc(OC)c1C(=O)NN1C[C@H](C(=O)OCC(=O)Nc2ccc(Br)cc2Cl)CC1=O	408658223	QHZJXSDITGUNEU-GFCCVEGCSA-N	554.781	2.795	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccccc1C(=O)N1CCCCCC1	408703594	UGDGSKDYFTVDJA-UHFFFAOYSA-N	501.605	2.985	0	40	KFAB	
COc1cccc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)NCc2ccccc2)c1	409370243	NLGXTADDMTXHAH-DHIUTWEWSA-N	507.495	2.856	0	40	KFAB	
O=C(N[C@@H]1CCS(=O)(=O)C1)c1cccc(NS(=O)(=O)c2cc(Br)ccc2Br)c1	575424944	WGTCMLBDDHWZNJ-CQSZACIVSA-N	552.266	2.929	0	40	KFAB	
CCc1nccn1CCOc1cc(CN2CCN(C(=O)COC)C[C@](O)(COc3ccc(F)c(F)c3)C2)ccc1OC	585275011	TWBBSCVFTLHAJF-PMERELPUSA-N	588.652	2.912	0	40	KFAB	
COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(N5CCN(C)CC5)o4)c(=O)n32)cc1	8399844	OYRLIKZTNCZKCN-YHHBSCGTSA-N	536.654	2.540	0	40	KFAB	
CCOc1cc(CNc2ccc(N3CCOCC3)c(C(=O)O)c2)cc(Br)c1OCC(N)=O	9892673	DULXQIGDINZYMC-UHFFFAOYSA-N	508.369	2.859	0	40	KFAB	
CCC(=O)NC(=S)Nc1c(I)cc(I)cc1C(=O)O	16609815	YSWHGVJMPLZLLL-UHFFFAOYSA-N	504.087	2.817	0	40	KFAB	
CCOC(=O)[C@H]1C(=O)N(CCCN2CCOCC2)c2nc3ccccc3n2[C@H]1c1ccc(OC)c(O)c1	20802331	BLXZAYSQERECIK-RPWUZVMVSA-N	508.575	2.588	0	40	KFAB	
COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@@H](CO)C(=O)O)C(=O)N32)cc1	70707585	AUSPJMNZPFGWPO-GVUKDKGQSA-N	554.559	2.835	0	40	KFAB	biogenic
COc1ccccc1N1C(=O)[C@H]2[C@H](C)N[C@]3(C(=O)N(CC(=O)N4CCc5ccccc54)c4ccccc43)[C@@H]2C1=O	98006379	OGNKSVOBEJANPK-LETPREFUSA-N	536.588	2.624	0	40	KFAB	
O=C(Nc1ccc(Cl)cc1)Nc1nnc2nc(C(C(=O)c3ccc(O)cc3O)c3nc4nnc(NC(=O)Nc5ccc(Cl)cc5)n4[nH]c3=O)c(=O)[nH]n12	195755846	MCCFBJVDLBAURN-UHFFFAOYSA-N	759.487	2.959	0	40	KFAB	
COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3OC)C2)c2ccccc2O1	222597387	WRTVEMBAPHTZIZ-QRWLVFNGSA-N	508.980	2.717	0	40	KFAB	
CS(=O)(=O)N(CC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCCN1CCOCC1)Cc1ccccc1	223012730	KNJMMKTVLJFJOX-PMERELPUSA-N	592.762	2.537	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O	225480457	FWQZPMYWXNGHFH-CQSZACIVSA-N	500.390	2.518	0	40	KFAB	
O=C(C[C@]1(COc2cccc(Cl)c2)CN(C(=O)c2cnc(C3CC3)nc2)CCO1)N1CCOCC1	585286650	PTWSSVZDRPYJCE-RUZDIDTESA-N	500.983	2.547	0	40	KFAB	
COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)NCCN(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2	604404886	IDQNYHNPIPTPBA-QFIPXVFZSA-N	540.661	2.733	0	40	KFAB	biogenic
C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	2629610	KDTBKJYUQJKPBL-OAHLLOKOSA-N	505.597	2.761	0	40	KFAB	
CC[C@@H](C)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)NCC(=O)N1CCOCCOc2ccccc2OCCOCC1	4577507	KMHDWUBIIWOOQM-OBNYREETSA-N	668.788	2.768	0	40	KFAB	
Cn1c(=O)[nH]c(=O)c2c1nc(NCCc1ccccc1)n2C[C@@H](O)COc1ccc(Cl)cc1Cl	10386367	VRPDAIIMBAWPSB-MRXNPFEDSA-N	504.374	2.825	0	40	KFAB	
Cc1c(Cl)ccc2c1NC(=O)[C@@]21N[C@H](CCC(N)=O)[C@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]21	16009808	OKVIFIZETMQGRF-YUGFUXRRSA-N	502.958	2.992	0	40	KFAB	
COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O	30756952	NXGPBNKDKMGTQU-UHFFFAOYSA-N	505.618	2.940	0	40	KFAB	
NC(=O)c1nsc(C(=O)N(Cc2ccccc2Cl)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(O)cc2)c1N	38145033	ZDUMZIRLKIBJGQ-UTKZUKDTSA-N	544.033	2.862	0	40	KFAB	
COC(=O)[C@H]1O[C@H](OC(=N)C(Cl)(Cl)Cl)[C@H](OC(=O)C(C)C)[C@@H](OC(=O)C(C)C)[C@@H]1OC(=O)C(C)C	77303499	CCIDTXJAPRZHSL-BXIXQQKLSA-N	562.827	2.952	0	40	KFAB	in-vitro
O=C(c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1)N1CCN(C(=O)c2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)CC1	100568462	JNWWRXMTGBUCGZ-HFXSPDLASA-N	616.674	2.908	0	40	KFAB	
CNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	223437065	ASPQECPTUOJDSB-MHZLTWQESA-N	555.628	2.742	0	40	KFAB	
Cc1c(Cl)cccc1N(CCCC(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)S(C)(=O)=O	224259268	BWJNMJDKBVHZCO-UHFFFAOYSA-N	532.084	2.640	0	40	KFAB	
CCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O	224541509	WIDFTHZTEFHGDZ-QFIPXVFZSA-N	533.647	2.914	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	225517261	VSFDGJIDVZUINK-RUZDIDTESA-N	526.634	2.825	0	40	KFAB	
CCN(CC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C)S(=O)(=O)c1ccc(Br)cc1	226054636	VXWQLNYGCWBSEH-UHFFFAOYSA-N	518.455	2.657	0	40	KFAB	
CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](O[C@@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@H]([C@]6(C)CC[C@H](C(C)(C)O)O6)[C@@H](O)C[C@@]3(C)[C@@H]5C[C@H](O[C@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@@H]4C2(C)C)OC[C@H]1O	253506381	TZHGYWCJIXHMJK-SDLDPPNQSA-N	839.029	2.505	0	40	KFAB	
Cc1nn(C)c(C)c1CC(=O)N1CC[C@H](Oc2cccc(Br)c2)[C@@H](CC(=O)N2CCOCC2)C1	257290974	QFBJWYOEWOAPGQ-CVDCTZTESA-N	533.467	2.887	0	40	KFAB	
COC(=O)[C@@H]1CN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)c(Cl)c3)C2)c2ccccc2O1	260737210	KLARFANHYSFEHM-BTYIYWSLSA-N	508.980	2.717	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccc(Cl)cc43)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1	409115097	IJVMARAKKNNFOB-HBFAPYFHSA-N	570.023	2.800	0	40	KFAB	
CCOC(=O)C1CCN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)CC1	409171644	BUFQNXCCFQNYLE-UHFFFAOYSA-N	508.568	2.840	0	40	KFAB	
CC(=O)N1CCN(Cc2ccc(OCCCN3CCCCC3=O)cc2)C[C@@](O)(COc2ccccc2)C1	585281094	WAUMUUUCPSTVAQ-LJAQVGFWSA-N	509.647	2.942	0	40	KFAB	
COc1ccc(NS(=O)(=O)c2ccc(O)c(C(=O)OCC(=O)Nc3ccc4c(c3)OCO4)c2)cc1	3259594	FHPWGWZWRWGWQD-UHFFFAOYSA-N	500.485	2.726	0	40	KFAB	
O=C(OC[C@@H]1O[C@@H](n2cnc3c(=O)[nH]c(=O)[nH]c32)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1	4887497	GNPXLAQWIFFOOV-WCJVPVSSSA-N	596.552	2.619	0	40	KFAB	
COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)c1	38144965	IASZNDLFCYJBJD-RXVVDRJESA-N	527.578	2.655	0	40	KFAB	
COc1ccc(/C=C2/N=C(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)N(c3cc(C)cc(C)c3)C2=O)cc1	97979506	HPIUIYKBMDIGRD-DEDYPNTBSA-N	533.610	2.651	0	40	KFAB	
CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	222891271	KYDWWWNSDXVQGY-NRFANRHFSA-N	501.605	2.562	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O	223059516	UXBCECGMCOFJIB-HNNXBMFYSA-N	514.417	2.908	0	40	KFAB	
COc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c(OC)c1	224122404	IDXQMKTYFYUWNR-FQEVSTJZSA-N	519.664	2.968	0	40	KFAB	
CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	224122614	UKBWYIPHQOJZSG-NRFANRHFSA-N	503.621	2.557	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1	224339022	NJXLSMHCJLLVBW-NRFANRHFSA-N	570.133	2.862	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	225562522	JTYNRWIEFBIHQY-XMMPIXPASA-N	537.638	2.876	0	40	KFAB	
CCOC(=O)[C@H]1[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)OCC)[C@](O)(C(F)(F)F)N[C@@]1(O)C(F)(F)F	248341802	ZVQCIDVGBSULAA-ZWRJDUBHSA-N	507.811	2.887	0	40	KFAB	
CO[C@H](/C=C/CC/C=C/C(=O)O)[C@H](O)[C@H](C)[C@H](O)/C(C)=C/[C@@H](C)C(=O)CCC[C@@H](CC(N)=O)CC(=O)O	253393529	IZBWUVKNXOGJSA-NYWSCFFMSA-N	525.639	2.625	0	40	KFAB	biogenic,in-vitro
COc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c(OC)c1	260929507	KOYIILBXYNNKLQ-GOSISDBHSA-N	523.627	2.798	0	40	KFAB	
NS(=O)(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)cc1	408550919	GHFARBZRABWLOD-UHFFFAOYSA-N	540.417	2.915	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/[C@@H]3C(=O)N(c4ccccc4)N=C3C)c(=O)n2[C@H]1c1ccc(OC)cc1	409018958	ZOFUFTCAQSRFRP-WSLJZXJOSA-N	530.606	2.798	0	40	KFAB	
O=C1CN(C(=O)c2ccccc2)Cc2ccccc2OC/C=C\[C@H]2CN1CC[C@H]2CC(=O)N1CC[C@@H](O)C1	514287564	METDAILMUODGAJ-APNFZSESSA-N	517.626	2.726	0	40	KFAB	
COc1cc(CN2CCN(C(C)=O)C[C@@](O)(COc3ccccc3)C2)ccc1OCCn1ccnc1C	585272917	PGNNWYZOJXJZLZ-MUUNZHRXSA-N	508.619	2.753	0	40	KFAB	
O=c1/c(=C/c2ccc(I)o2)sc2n1CN(c1ccc(Br)cc1)CN=2	2240673	RIQRRUAHBCJIIE-QPEQYQDCSA-N	516.158	2.754	0	40	KFAB	
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cccc(C)c3C)S(C)(=O)=O)cc2)n1	22524225	NDBDYYZUCDLGBF-UHFFFAOYSA-N	503.606	2.607	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)C2)cc1	26111140	SNVZDFMKIKJTLZ-LJQANCHMSA-N	521.661	2.909	0	40	KFAB	
O=C(COC(=O)[C@H](CCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccccc1	100557645	DEBNVJCUUFJKGP-CNVHPWOOSA-N	556.615	2.566	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	261030954	JNVLQWBZEGYBRO-MSOLQXFVSA-N	523.627	2.941	0	40	KFAB	
CCOc1ccc(N(CC(=O)NCCCN2CCOCC2)S(=O)(=O)c2ccc(Br)cc2)cc1	408628464	XUAQKKHPWZOVRR-UHFFFAOYSA-N	540.480	2.882	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccccc43)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1	409084170	AEQPJBMEHWFGSQ-GOBJLOIFSA-N	554.422	2.892	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3/C(=O)N(CC)c4ccccc43)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1	409147301	VPWITOROPSBWNN-QVDHCRFMSA-N	563.632	2.561	0	40	KFAB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(O[C@H](C)C(=O)O)c(OC)c3)C2=O)o1	409399515	JGJLLACGGLKPPJ-QOUOVQQFSA-N	523.292	2.782	0	40	KFAB	
COc1ccc(NC(C)=O)cc1S(=O)(=O)N(Cc1ccccc1)[C@H]1CS(=O)(=O)C[C@@H]1NCc1ccccc1	575425917	JBEOTTKQXHMHFT-DQEYMECFSA-N	557.694	2.800	0	40	KFAB	
Cc1cc(OC[C@@]2(CC(=O)N3CCOCC3)CN(C(=O)Cn3cc(C(F)(F)F)cn3)CCO2)ccc1Cl	585283365	DTKWNGSMACMGTN-HSZRJFAPSA-N	544.958	2.789	0	40	KFAB	
CC(C)[C@H]1NC(=O)CC[C@@H](C(=O)N2CCCN(Cc3cccc(F)c3)CC2)NC(=O)c2ccccc2OC[C@H]2CCCN2C(=O)[C@H](CCCCN)NC1=O	643574960	FQNFIOJNXZGEAH-VOHIZFTDSA-N	749.929	2.577	0	40	KFAB	
O=C(c1cc(F)cc(F)c1)N1CCCCC2(CCN(Cc3ccncc3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1	643578542	XTXDPWCWKITHNP-LOSJGSFVSA-N	531.600	2.923	0	40	KFAB	
CCOC(=O)c1ccc(NC(=O)c2ccc(O[C@@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)c(OC)c2)cc1	8431865	PUSBLAHHWCDZSD-RUFSVEROSA-N	645.614	2.586	0	40	KFAB	
CCOC(=O)CN(C(=O)C[S@](=O)CC(=O)Nc1ccc(C)cc1)[C@H](CC(C)C)C(=O)NC1CCCCC1	12473826	JUZPRTXJCGFKLC-FPHJQGEJSA-N	535.707	2.938	0	40	KFAB	
COc1ccc(C(OC[C@@H](O)CNCCc2ccc(S(N)(=O)=O)cc2)c2ccc(OC)cc2)cc1	12529374	ZMSRJIQKZGKMGK-QFIPXVFZSA-N	500.617	2.650	0	40	KFAB	
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1	38145708	PCCQMUXGGASEKO-UHFFFAOYSA-N	537.610	2.733	0	40	KFAB	
CCOC(=O)N1CCN(C(=O)c2nc(-c3ccc(OC)cc3)cc3c2nc(C)n3[C@@H]2CCS(=O)(=O)C2)CC1	102449532	BVOKJRVPBWLREN-LJQANCHMSA-N	541.630	2.689	0	40	KFAB	
COC(=O)c1sc(N)c(C(=O)OC)c1COC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O	102777772	SMOIQXBLNRBYAH-SFHVURJKSA-N	522.535	2.854	0	40	KFAB	
CC[C@@H](CCNC(=S)NC(=O)c1cccc(OC)c1OC)NC(=S)NC(=O)c1cccc(OC)c1OC	102928519	AHZXTUWXRWJHCZ-HNNXBMFYSA-N	548.687	2.799	0	40	KFAB	
CC(C)(C)C1CCC(C(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)CC1	104524191	RLSWTUKZGAGHJQ-UHFFFAOYSA-N	551.706	2.878	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O	223566868	ZYYZSPPIGGWJAN-CQSZACIVSA-N	517.576	2.551	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O	223792422	FZNNBSMPPCMJOW-OAHLLOKOSA-N	561.417	2.750	0	40	KFAB	
CCc1ccc(N(CC(=O)N(Cc2cccc(Br)c2)[C@@H](C)C(=O)NC)S(C)(=O)=O)cc1	225455641	UMFTZSFGNNHJJK-INIZCTEOSA-N	510.454	2.941	0	40	KFAB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3c(OCC(=O)N4CCOCC4)ccc4ccccc34)C2=O)o1	409398681	FUOYDZJFVIWXGQ-STZFKDTASA-N	519.510	2.550	0	40	KFAB	
O=C(N[C@H]1[C@H](OC(=O)c2cccnc2)O[C@H](COC(=O)c2cccnc2)[C@@H](OC(=O)c2cccnc2)[C@@H]1OC(=O)c1cccnc1)c1cccnc1	4216419	ZLNMZWDQJJAEAM-QPBDZWBWSA-N	704.652	2.650	0	40	KFAB	in-man
COc1cc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(O)c2)ccc1O	6906710	DAKXZAQESKEKDU-NRFANRHFSA-N	525.587	2.691	0	40	KFAB	
COc1cccc(NC(=O)Cn2c(=O)n(CCC(=O)NCc3ccccc3OC)c(=O)c3ccccc32)c1	8593796	MMSVVYKVSVTXIT-UHFFFAOYSA-N	516.554	2.526	0	40	KFAB	
CC(C)CN(C(=O)COC(=O)C12CC3CC(CC(C3)C1)C2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	12918061	MLTXWCMUXSRIFI-UHFFFAOYSA-N	508.619	2.916	0	40	KFAB	
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3nc(O)c4nnn(Cc5ccccc5)c4n3)CC2)cc1	13083264	YEVUIBVCCWXNEM-UHFFFAOYSA-N	507.576	2.502	0	40	KFAB	
COC(=O)c1cc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(OC)c(OC)c2)cc(C(=O)OC)c1	59833953	MYRXHERCJOEQQP-JOCHJYFZSA-N	556.593	2.805	0	40	KFAB	
CC(=O)OC[C@H]1O[C@H](Oc2ccc3c4c(c(=O)oc3c2)CCCCC4)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	70686738	GZYJQIYKODJQNJ-CBNWRBMVSA-N	560.552	2.524	0	40	KFAB	biogenic
C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN3C(=O)N[C@@](C)(c4ccc(Br)cc4)C3=O)cc2)C[C@@H](C)O1	108978907	ZDEMMAZTIIRKBY-JOWJHRDDSA-N	579.473	2.653	0	40	KFAB	
CN(C)S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)C1	215955079	BVAZJSMWCQWXMC-HNNXBMFYSA-N	534.582	2.963	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	223264830	NNMXLFDUSKALMY-QGZVFWFLSA-N	507.584	2.654	0	40	KFAB	
CNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	223292427	LKWKAKLAIQNGFL-MHZLTWQESA-N	537.638	2.602	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O	223461380	DQHZBBXMOMDWEF-IBGZPJMESA-N	515.632	2.954	0	40	KFAB	
O=C(Nc1ccc(I)cc1)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	408787254	VXLOKONKBNPYKH-JOCHJYFZSA-N	611.483	2.994	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OC(C)=O)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409042142	WFKAUPKATNHOCO-LMVGNEGFSA-N	594.642	2.674	0	40	KFAB	
CCN1C(=O)/C(=c2\sc3n(c2=O)[C@@H](c2cccc(OC)c2)C(C(=O)OC(C)C)=C(C)N=3)c2ccccc21	409142391	CWOKTKSUGCJFFN-FEYWKWKCSA-N	517.607	2.932	0	40	KFAB	
COc1ccccc1CNC(=O)[C@@H](OC(=O)c1ccc(OC(C)=O)c(OC)c1)[C@H](OC(=O)c1ccc(OC(C)=O)c(OC)c1)C(=O)O	409376277	WOYBSDSLZJURSE-NSOVKSMOSA-N	653.593	2.715	0	40	KFAB	
O=C1CN2CCN(S(=O)(=O)c3cccnc3)C[C@@H]2COc2ccc(-c3ccc(F)cc3F)cc2N1	1772594660	GONWZFZYPRMCTE-GOSISDBHSA-N	500.527	2.733	0	40	KFAB	
N[C@@H](COc1ccc(Cl)cc1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O)Cc1ccccc1	2037879875	VITTWSTXOUDSHG-GGAORHGYSA-N	509.990	2.831	0	40	KFAB	
CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)c1	16044502	IELPTQJYRADEPY-UHFFFAOYSA-N	508.556	2.552	0	40	KFAB	
O=C(NC[C@H]1CCCO1)[C@H](c1ccco1)N(Cc1ccc(F)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	33356882	LAWFSAQGLPPLSE-NLFFAJNJSA-N	555.584	2.629	0	40	KFAB	
N=C(O)C1(N2CCCCC2)CCN(C(=O)CCCn2c(=O)[nH]c3ccc(Br)cc3c2=O)CC1	33709320	PDPWOVMIOUFQPW-UHFFFAOYSA-N	520.428	2.615	0	40	KFAB	
COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1C(=O)NC(C)C	44850001	OBUAFWJVJYXNQF-UHFFFAOYSA-N	504.590	2.830	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(CN4CCN(S(=O)(=O)c5ccccc5)CC4)cc3)CC2)cc1	100082583	NYOXRONIYSYLAL-UHFFFAOYSA-N	582.748	2.648	0	40	KFAB	
COc1ccc(-c2coc3cc(O[C@@H]4O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]4OC(C)=O)cc(OC(C)=O)c3c2=O)cc1	150343767	XHCIZLWHEPIQDR-GIMGQEMRSA-N	656.593	2.856	0	40	KFAB	biogenic,in-vitro
CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O	222890180	FEZPZJYFYZIHFR-JOCHJYFZSA-N	515.632	2.952	0	40	KFAB	
CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2	222898512	UWWRMOWNZHQXKW-FQEVSTJZSA-N	555.628	2.998	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C	225061843	WYHAYXIAGHELEJ-JOCHJYFZSA-N	502.681	2.902	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	225592479	PZVAZWHJSGLXJQ-DEOSSOPVSA-N	519.623	2.916	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCC(=O)O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409043122	ZQKMZOKJYWFNAL-VRMPQCFQSA-N	766.563	2.825	0	40	KFAB	
CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(I)c1OCC(=O)OC	409400352	PANKWCRGGMBDOL-NVNXTCNLSA-N	584.319	2.714	0	40	KFAB	
CC(=O)N1CCCN(c2ncccn2)CCN(C(=O)c2ccc3c(c2)N(C)C(=O)CO3)Cc2ccccc21	643554512	KUZVGYZPFPMDIV-UHFFFAOYSA-N	514.586	2.737	0	40	KFAB	
C[C@@H]1NC(=O)C2(CCCCOCCCNC1=O)CCN(C(=O)c1cc(-c3ccc(F)cc3)nn1C)CC2	643564130	MINNPLYILHMBBE-IBGZPJMESA-N	513.614	2.660	0	40	KFAB	
O=C(OCOC(=O)C1=[N+](C(=O)CCCCC(=O)N2CCC/C2=C(\O)OCOC(=O)OC2CCOCC2)CCC1)OC1CCOCC1	1560403808	IRXRBPVJIGVONJ-VYIQYICTSA-O	655.674	2.809	0	40	KFAB	
Cc1cc(NC(=O)CSC2=Nc3ccccc3C3=N[C@H](CC(=O)NCc4ccc(F)cc4)C(=O)N23)n[nH]1	2968297	ZSFPBELQZGANJF-LJQANCHMSA-N	519.562	2.894	0	40	KFAB	
O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O	3337799	ZVIPCFRRLPPNKJ-DEOSSOPVSA-N	519.579	2.554	0	40	KFAB	
CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCC(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)o2)cc1	6512046	XOKKHMOTOIUJTE-UHFFFAOYSA-N	553.688	2.748	0	40	KFAB	
COc1cc(/C=C\C(=O)NCCn2ncc3c(=O)n(Cc4ccccc4F)cnc32)cc(OC)c1OC	12071584	LKSKUVORQKZXET-HJWRWDBZSA-N	507.522	2.636	0	40	KFAB	
O=C(NCCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1	22229206	ULHIWCDOQDKAAV-UHFFFAOYSA-N	509.584	2.797	0	40	KFAB	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@H]3O[C@H]5CO[C@@H](c6cccs6)O[C@@H]5[C@@H](O)[C@@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O	28226562	NRUKOCRGYNPUPR-JVNQGFOTSA-N	656.662	2.753	0	40	KFAB	
O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1	59838637	BJPZLXPVPNMGHW-SFHVURJKSA-N	576.524	2.731	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2cccc(C(C)=O)c2)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)c1	223043339	IMYKRBBWJFLUGT-SFHVURJKSA-N	517.648	2.996	0	40	KFAB	
COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCCOc3ccc(S(=O)(=O)N4CCCC4)cc3)Oc3cc(C)ccc32)cc1	224325566	YWCRTQUJCWBXBV-NDEPHWFRSA-N	615.730	2.940	0	40	KFAB	
Cc1ccccc1CN(c1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1)S(C)(=O)=O	224448722	CUZHHLVKSJNEHV-UHFFFAOYSA-N	587.720	2.791	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NC(C)C)c1ccc2c(c1)OCCO2	225587591	HQLIAWRZMPSVFS-SFHVURJKSA-N	521.611	2.695	0	40	KFAB	
COc1ccc(OC)c(N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c1	260893795	MMTRYLQDKIYXDG-LJQANCHMSA-N	505.637	2.659	0	40	KFAB	
CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(OC)c(OCC(=O)OC)cc2Br)C1=O	409011624	NYZHWSRXNXSPBE-MIJYTDESSA-N	502.339	2.997	0	40	KFAB	
NCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)CC[C@@H](C(=O)N2CCC(c3ccccc3)CC2)NC(=O)c2ccccc2OC[C@H]2CCCN2C1=O	643575415	RRZVVXSHRCWKKS-NWAHQLIBSA-N	700.881	2.960	0	40	KFAB	
COc1ccc(CCC(=O)N2CCCCC3(CCN(Cc4ccncc4)CC3)C(=O)OC[C@@H](O)[C@@H](O)CC2)cc1OC	643579058	RNKJRAKQBZARGS-RRPNLBNLSA-N	583.726	2.981	0	40	KFAB	
O=C1CN2CCN(S(=O)(=O)c3ccc(F)cc3)C[C@@H]2COc2ccc(-c3cccnc3F)cc2N1	1772594573	MEYMEFSNNFGGIA-GOSISDBHSA-N	500.527	2.733	0	40	KFAB	
COc1ccc(Cn2nnnc2CN(Cc2cccnc2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1	1325099	NTZPADRMTJPXII-UHFFFAOYSA-N	525.569	2.940	0	40	KFAB	
CCOc1ccccc1N(CC(=O)NCCC(C)C)C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1	6631368	RTLNGWWEGBQLIY-UHFFFAOYSA-N	510.595	2.952	0	40	KFAB	
O=C(c1ccc(N2CCCS2(=O)=O)cc1)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1	12700567	KRPDZFOOMCHODR-UHFFFAOYSA-N	518.444	2.680	0	40	KFAB	
COc1cccc(C[C@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c1	13565614	QEFNAVWPWHTWIC-QFIPXVFZSA-N	527.565	2.731	0	40	KFAB	
CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)NC1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1	13565723	RHCAJECGGPMEDJ-NRFANRHFSA-N	515.529	2.861	0	40	KFAB	
O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)OCC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1	14359164	RGHZQHOHGWHYJH-UHFFFAOYSA-N	502.633	2.920	0	40	KFAB	
CC(C)CN(C(=O)COC(=O)CSc1ccccc1F)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	23078878	LJHHSPRRIPMPNX-UHFFFAOYSA-N	514.579	2.631	0	40	KFAB	
CSC[C@H](NC(=O)[C@H](CSC)NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)OC(C)(C)CC3)C(=O)O	70708368	NIBQZUNVWYMGNB-ROUUACIJSA-N	536.672	2.528	0	40	KFAB	biogenic
COc1ccc(N(CC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)S(=O)(=O)c2ccccc2)c(OC)c1	100082510	MNKMPSYAJAKTPB-UHFFFAOYSA-N	573.693	2.741	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3ccc4c(c3)C(=O)N(c3ccccc3C)C4=O)CC2)cc1	103137579	OVGGHZLCTNIIMI-UHFFFAOYSA-N	561.616	2.794	0	40	KFAB	
CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O	150659231	UVBUBMSSQKOIBE-LEQSTBFWSA-N	721.838	2.564	0	40	KFAB	biogenic,in-vitro
CCOC(=O)C1=C(C)N=c2s/c(=C3/C(=O)Nc4ccccc43)c(=O)n2[C@@H]1c1ccccc1OC(C)C	165158712	YGJHNFUFHPZEBU-HOGKFDNTSA-N	503.580	2.908	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O	222851471	LVJCYPXUOHJGPT-CQSZACIVSA-N	502.420	2.931	0	40	KFAB	
COCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O	223010113	AWDGCBXXQMDDAM-MHZLTWQESA-N	537.682	2.851	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	223026230	IITAOMVUKBRZIH-HNNXBMFYSA-N	522.421	2.537	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	223114054	LMKRIEWFGMPFLK-IAGOWNOFSA-N	507.584	2.652	0	40	KFAB	
Cc1cc(C)cc(OCCNC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)c1	224067872	LYMNMEXKCBFRHY-UHFFFAOYSA-N	502.374	2.869	0	40	KFAB	
CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O	225003102	ATEZWIBZJFOCIL-SFHVURJKSA-N	501.605	2.563	0	40	KFAB	
COC(=O)CSc1nnc(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2)s1	225564150	KUGUZBZEBCSYPO-UHFFFAOYSA-N	522.630	2.954	0	40	KFAB	
CC(=O)c1cccc(N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c1	260934001	XMHHGYSEJOBIBR-HXUWFJFHSA-N	501.649	2.887	0	40	KFAB	
CCOc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc(Br)cc2)C1	408654676	KVIYPLJIDVZVTD-OAHLLOKOSA-N	504.337	2.523	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1ccccc1C(=O)N1CCOCC1	408701174	SUKKDMKXBOJCSD-UHFFFAOYSA-N	501.605	2.841	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)O)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)cc1	408832823	RPAIBYGAYRCABK-MLJBDGAYSA-N	536.606	2.969	0	40	KFAB	
O=C(C[C@@]1(COc2cccc(Cl)c2)CN(C(=O)c2cnc(C3CC3)nc2)CCO1)N1CCOCC1	585286654	PTWSSVZDRPYJCE-VWLOTQADSA-N	500.983	2.547	0	40	KFAB	
Cc1ccc(-c2nnn(CC(=O)N(c3ccc4c(c3)OCCO4)[C@H](C(=O)NC[C@H]3CCCO3)c3ccco3)n2)o1	888707	RJCOBDSZWVXYOE-CLOONOSVSA-N	548.556	2.675	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OC)c(=O)n2[C@H]1c1cc(OC)ccc1OC	1212590	MNVIMMQCPCQZTE-VZIOXZNFSA-N	524.595	2.833	0	40	KFAB	
COc1ccc(CNC(=O)c2c(N)n(-c3ccc(S(N)(=O)=O)cc3)c3nc4ccccc4nc23)cc1	2291098	VVRBZHHBWWEUAX-UHFFFAOYSA-N	502.556	2.742	0	40	KFAB	
CCCC[C@@H](C(=O)NCCC(C)C)N(Cc1ccc2c(c1)OCO2)C(=O)c1snc(C(N)=O)c1N	6481378	GBXBAHDJAWWGFR-INIZCTEOSA-N	503.625	2.916	0	40	KFAB	
NC(=O)c1cc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CCCO2)cc(C(N)=O)c1	13165108	ZNEWLRWFIKFRLK-GOSISDBHSA-N	514.995	2.706	0	40	KFAB	
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(Cl)cc3)CC2)N[C@@H]1c1ccc(O)c(OCC)c1	20674851	NHMXATDZIGWDPB-FGZHOGPDSA-N	500.983	2.973	0	40	KFAB	
CCN(CC(=O)NCc1ccc(F)cc1)C(=O)CN1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1	97981518	CXUBWWFBTRMTPI-UHFFFAOYSA-N	579.016	2.969	0	40	KFAB	
COc1ccc(CCn2c3c(c(=O)[nH]c2=O)[C@](NC(=O)CCC2CCCCC2)(C(F)(F)F)C(=O)N3)cc1OC	100934338	SRLSKKZWKNZKHI-RUZDIDTESA-N	552.550	2.983	0	40	KFAB	
O=C(NCc1ccccc1)[C@H]1CN(C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc2O1	222892107	UZJODKGTEBTFRN-HHHXNRCGSA-N	549.649	2.751	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	223104362	JNVLQWBZEGYBRO-QZTJIDSGSA-N	523.627	2.941	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	224729738	WIFALUDFTSVUBM-HXUWFJFHSA-N	517.648	2.866	0	40	KFAB	
CN1CCN(C(=O)C[C@]2(COc3ccccc3)CCCN(S(=O)(=O)c3cc(F)cc(F)c3)C2)CC1	257257318	KPAMSTZLBDXQIF-RUZDIDTESA-N	507.603	2.979	0	40	KFAB	
COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)NCCSc3nc(-c4ccccc4)n[nH]3)C2)c1	260742973	NDFQRZTUZMFYKL-SFHVURJKSA-N	531.660	2.798	0	40	KFAB	
CS(=O)(=O)N(CCCC(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccc2c(c1)OCCO2	260810944	LKAMSZWOAMIEFD-LJQANCHMSA-N	517.604	2.552	0	40	KFAB	
CCOC(=O)COc1c(I)cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)cc1OC	409106520	NUJVWLDZERSQAT-WWNSAXIVSA-N	549.339	2.840	0	40	KFAB	
CCOC(=O)CN1C(=O)/C(=c2/sc3n(c2=O)[C@H](c2ccc(OC)c(Br)c2)C(C(=O)OCC)=C(C)N=3)c2ccccc21	409390120	SJDAREAVRKXQFG-SBXHHDGASA-N	640.512	2.849	0	40	KFAB	
COc1cc(CN2CCN(C(C)=O)C[C@@](O)(COc3ccc(C)cc3)C2)ccc1OCCn1cccn1	585274509	ZIGANNVLQQOKMM-MUUNZHRXSA-N	508.619	2.753	0	40	KFAB	
COc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2F)cc1S(=O)(=O)N1CCCCC1	13130151	NEYDZPZESVADJP-IBGZPJMESA-N	525.624	2.801	0	40	KFAB	
Cc1c(Br)cc2c(c1Br)OCC(CN1CCOCC1)(CN1CCOCC1)C2=O	16249889	QJBAUVHJMPUOJE-UHFFFAOYSA-N	518.246	2.746	0	40	KFAB	
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Cl)cc3)S(C)(=O)=O)cc2)n1	19931539	IOMAKDAJKFGHKW-UHFFFAOYSA-N	509.997	2.644	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1	20030627	LEYSLBNQAPEHHC-UHFFFAOYSA-N	529.684	2.795	0	40	KFAB	
COc1ccc(CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C(=O)NC[C@H]2CCCO2)c2cccc(OC)c2)cc1	100341496	IJMHRMKMMPMZAV-VAVYLYDRSA-N	607.685	2.914	0	40	KFAB	
COc1ccc(OC)c(NC(=O)Cn2c(=O)n(CCCCC(=O)NCc3ccco3)c(=O)c3ccccc32)c1	101331494	GVJKYNZMWASFJU-UHFFFAOYSA-N	534.569	2.899	0	40	KFAB	
COCCNC(=O)c1ccccc1NC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1	112252955	ZOPSHLPJGAGPED-UHFFFAOYSA-N	587.651	2.931	0	40	KFAB	
O=S(=O)(Cc1ccc(Cl)cc1Cl)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1	224463988	OCMHGZWEGDQCNI-UHFFFAOYSA-N	509.433	2.513	0	40	KFAB	
COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3ccc(CN4CCOCC4)cc3)Oc3ccccc32)cc1	224574139	UUIBQHRSSUTQFK-MHZLTWQESA-N	537.638	2.800	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCc3ccc(S(=O)(=O)N4CCCC4)cc3)C2)cc1	226048813	QKZHWOHRIXNDEH-JOCHJYFZSA-N	549.715	2.629	0	40	KFAB	
COc1ccc(OC)c(N(CC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	408614464	CNFHIHMNDKVCNV-UHFFFAOYSA-N	570.624	2.745	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(CC(=O)N4CCOCC4)c4ccccc34)c(=O)n2[C@H]1c1ccc(OC)cc1OC	409160141	PQZNLEHQVFXTLD-JGAIACPSSA-N	630.723	2.629	0	40	KFAB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(O[C@@H](C)C(=O)O)c(OC)c3)C2=O)o1	409399513	JGJLLACGGLKPPJ-IXIHQHOXSA-N	523.292	2.782	0	40	KFAB	
O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4cc(C5CCCC5)ccc41)CC[C@@H]3O)N(Cc1ccncc1)C2	514287458	DGMLPJKPDIJXIS-INWNYEGYSA-N	548.684	2.919	0	40	KFAB	
COc1cc(C(=O)N2CCO[C@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCOCC3)C2)ccn1	585287108	SXTACCKLHYPADO-RUZDIDTESA-N	503.983	2.591	0	40	KFAB	
O=CN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2C=CCOc2ccccc2CN(Cc2ccccc2)CC3=O)CC1	958317824	PWVQGHGBXZACPE-SVBPBHIXSA-N	530.669	2.793	0	40	KFAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)c4c(Br)c(C(F)(F)F)nn4C)[C@@H]3SC2)s1	2785121	MYAWRWVUDMJDSE-RTHLEPHNSA-N	599.436	2.506	0	40	KFAB	
Cn1c(N)c(C(=O)COC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)c(=O)n(C)c1=O	3229178	YMJNPLXCXACSBW-JLHYYAGUSA-N	564.396	2.721	0	40	KFAB	
O=C(NCC(=O)N(Cc1ccc2c(c1)OCO2)[C@H](C(=O)NC[C@H]1CCCO1)c1ccccc1)c1ccco1	12485695	CDBQEQQWTPAVCL-RLWLMLJZSA-N	519.554	2.803	0	40	KFAB	
Cc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)[C@@H](C(=O)NC[C@@H]3CCCO3)c3ccco3)n2)o1	12716749	WMSORWXFVJMXLR-HTAPYJJXSA-N	510.576	2.961	0	40	KFAB	
CC(=O)N[C@H]1[C@H](Sc2nnc(COc3ccc(C)cc3)n2-c2ccccc2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	70712216	BAOWBHPLHKZFJM-VNOXJOTMSA-N	626.688	2.903	0	40	KFAB	biogenic
CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C)N[C@]4(C(=O)N(CC(=O)N5CCc6ccccc65)c5ccccc54)[C@@H]3C2=O)cc1	100164738	DWYLCFZEMJWYFF-VHVYQOPGSA-N	563.614	2.574	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1	222615049	XRGWHHPTWRBUBU-IBGZPJMESA-N	541.601	2.956	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	222701088	DZXNGZXJYMOXLH-AWEZNQCLSA-N	532.446	2.940	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	222748583	BTZDKDJRXJWGEX-CQSZACIVSA-N	532.446	2.940	0	40	KFAB	
COc1ccc(CCNC(=O)[C@@H](C)N(Cc2ccc(OC)cc2)C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	222933641	ARKOCRBZEHIPOH-XMMPIXPASA-N	625.744	2.880	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	223019040	BSCDDRSNDLNUSM-INIZCTEOSA-N	543.459	2.754	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1cccc(OC)c1)[C@@H](C)C(=O)NC(C)(C)C)c1ccc2c(c1)OCO2	223047054	DRMGIIDMNRHRDP-SFHVURJKSA-N	533.647	2.912	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O	223052428	YUEHDFNXTUHOKH-HNNXBMFYSA-N	514.417	2.908	0	40	KFAB	
CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	223167342	NJNNJWYXFYJLTG-IBGZPJMESA-N	512.028	2.677	0	40	KFAB	
CC(C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	224722734	OXOBZPBXBICADR-INIZCTEOSA-N	554.463	2.886	0	40	KFAB	
Cc1ccc(NC(=O)CCCN(c2cccc(C)c2C)S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C)CC1	224758799	TWYXUIKVSGKYEH-UHFFFAOYSA-N	536.720	2.733	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	225222640	LZNDHIMYKHJQDR-ZWKOTPCHSA-N	523.627	2.941	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O	225482844	QUJHWKJWNZOJSB-CQSZACIVSA-N	608.296	2.983	0	40	KFAB	
COC(=O)[C@@]1(C)[C@H]2[C@H](OC(C)=O)[C@@H](O)c3cc(C(C)C)cc(O)c3[C@@]2(C)[C@@H](OC(C)=O)C[C@H]1OC(C)=O	252504672	CDYGRHOHQUXDMN-HJJIWESMSA-N	520.575	2.815	0	40	KFAB	biogenic,in-vitro
COc1ccc(CN(C(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C)cc1	260877935	HKLPAVLWRNSGNJ-LJQANCHMSA-N	535.663	2.668	0	40	KFAB	
CCOC(=O)COc1c(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cccc1OC	408942774	LFSHMXCRERTZTG-GVMLUORFSA-N	596.658	2.766	0	40	KFAB	
COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)ccc1OCc1ccc(C(=O)O)cc1	409126623	LTFYBIVNYCDWKP-FYJGNVAPSA-N	512.540	2.868	0	40	KFAB	
CCOC(=O)Cn1nnnc1CN(CCc1ccc(OC)c(OC)c1)Cc1cc2cc(C)c(C)cc2[nH]c1=O	927270	MRJNPUNFMJHMCI-UHFFFAOYSA-N	534.617	2.957	0	40	KFAB	
O=C1c2ccccc2C(=O)N1CN(C(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1cccc(F)c1	3168713	VYGOYBCKEINNPE-UHFFFAOYSA-N	541.532	2.886	0	40	KFAB	
COc1ccc(CC(=O)Nc2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(C(=O)c3cccc(C(=O)O)c3)C2)cc1	4236196	VLMOCWAZHKWSEH-GHTZIAJQSA-N	501.539	2.996	0	40	KFAB	biogenic,in-vitro
Cc1cn([C@H]2C[C@H](O)[C@H](COC(c3ccccc3)(c3ccccc3)c3ccc(OCC(=O)O)cc3)O2)c(=O)[nH]c1=O	5493279	FHTNSNQDROOYJV-GMQQYTKMSA-N	558.587	2.966	0	40	KFAB	
COc1cc2cc([C@H](c3nnnn3C3CCCC3)N3CCN(C(=O)c4ccco4)CC3)c(=O)[nH]c2cc1OC	6239510	UOUONPNMSHYZGO-XMMPIXPASA-N	533.589	2.787	0	40	KFAB	
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)/N=c3\sc4cc(OCC)ccc4n3C)cc2)CC1	11852940	KGIWHBZUIAVDBX-BZZOAKBMSA-N	532.644	2.842	0	40	KFAB	
CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)c1	12691005	PRPNGXPANBMTKM-UHFFFAOYSA-N	508.666	2.820	0	40	KFAB	
CCCCn1c(SCC(=O)NCc2ccc(OC)c(C(=O)O)c2)nc2cc(S(N)(=O)=O)ccc21	13135794	NGTZBUZVRWFQSM-UHFFFAOYSA-N	506.606	2.599	0	40	KFAB	
C[C@]12C(=O)N(c3cccc(C(=O)NCCCN4CCOCC4)c3)C(=O)N1CCc1c2[nH]c2ccccc12	20609759	GCBDGRYHGSMTIE-NDEPHWFRSA-N	501.587	2.860	0	40	KFAB	biogenic
CC(C)c1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(c3ccc(Cl)cc3)CC2)cc1	20803125	VNJZGFSTYVVJCF-XMMPIXPASA-N	512.054	2.941	0	40	KFAB	
COC(=O)c1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCN(C)CC2)cc1	32999695	DWMDVBRVZUFHMN-UHFFFAOYSA-N	500.621	2.652	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	222560394	OIZPDOXOLIIOTO-DEOSSOPVSA-N	557.644	2.995	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O	223003766	DWICFLZTRJHYMU-HNNXBMFYSA-N	514.417	2.908	0	40	KFAB	
CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O	223394176	LRGGJDROCYIEOP-FQEVSTJZSA-N	573.453	2.619	0	40	KFAB	
CCOC(=O)[C@H]1[C@H](c2ccccc2Cl)[C@@H](C(=O)OCC)[C@](O)(C(F)(F)F)N[C@@]1(O)C(F)(F)F	248341447	YZHONTVWWQWASA-ZWRJDUBHSA-N	507.811	2.887	0	40	KFAB	
CC(C)c1nc2ccccc2n1CC(=O)N1CCC2(CC1)C[C@@](C)(O)[C@H](n1cnc3c(N)ncnc31)CO2	257251053	JPFBPNXJNQXTMH-FQRUVTKNSA-N	518.622	2.655	0	40	KFAB	
CN(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NCc1ccccn1)S(C)(=O)=O	260725303	ULPFGLIHFMJVLY-XMMPIXPASA-N	529.062	2.883	0	40	KFAB	
COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)cc1Cl	408554481	SGLJFXBHEHGIJN-UHFFFAOYSA-N	525.992	2.814	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCCC4)cc3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	409168589	NCYCVDAEQOXMLH-STEKTNRRSA-N	591.686	2.817	0	40	KFAB	
O=C(O)CNC(=O)CN1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O	1791755	GHUFAVWLWHAPGG-UHFFFAOYSA-N	577.805	2.533	0	40	KFAB	
O=C(CN1C(=O)c2ccccc2C1=O)Oc1ccc(S(=O)(=O)c2ccc(OC(=O)CN3C(=O)c4ccccc4C3=O)cc2)cc1	4176722	ZCCCFQXRUHTFKO-UHFFFAOYSA-N	624.583	2.923	0	40	KFAB	
COc1cc(NC(=O)O[C@@H]2CC[C@@]3(C)[C@H](CC(=O)N4CC[C@H](NC(C)=O)C4)[C@H](O)CC[C@@H]3[C@]2(C)CO)cc(OC)c1	4236812	XWLDASBODQKJKZ-XPIBTLATSA-N	575.703	2.934	0	40	KFAB	biogenic,in-vitro
CC(C)(C)NC(=O)[C@@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCCO2	6074574	ZINASMVATXJYAC-HXUWFJFHSA-N	525.587	2.604	0	40	KFAB	
COc1ccc(N(CC(=O)NCCCN2CCN(C)CC2)S(=O)(=O)c2ccc(C)cc2)cc1Cl	22934667	DWOZDASWZUFTEB-UHFFFAOYSA-N	509.072	2.606	0	40	KFAB	
COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCOC)C1c1ccc(I)cc1	26963038	SZGVKQDHMGNZQB-UHFFFAOYSA-N	515.344	2.905	0	40	KFAB	
COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(C)cc2)CC1	38753953	SSBOBPYFKSIMOI-UHFFFAOYSA-N	523.677	2.871	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@@H](C(=O)NC[C@@H]3CCCO3)c3ccc(C)o3)n2)cc1OC	100277689	BIHDQZRBDFXRFY-RXFWQSSRSA-N	564.599	2.917	0	40	KFAB	
COc1ccc2ccccc2c1CC1(CN2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)C(=O)N(C)C(=O)N(C)C1=O	100744129	UDKNBCJZDFZWCO-TZIWHRDSSA-N	528.609	2.709	0	40	KFAB	
CCOc1cc(CC2(CN3C[C@@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1O	100745857	YOLQANLNDICHCO-ROUUACIJSA-N	603.539	2.579	0	40	KFAB	
CC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1	102778050	QLDOPWAVVACRNW-DEOSSOPVSA-N	582.645	2.830	0	40	KFAB	
COC(=O)[C@]1(CCSC)N[C@H](c2ccc(OC)cc2OC)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21	245230178	MVRMFYUVGCIKMK-OJXRJRMYSA-N	542.610	2.590	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	260864205	AACLBXDQUSCVLU-MSOLQXFVSA-N	523.627	2.941	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	260918397	GISSQSFXBFZFET-OALUTQOASA-N	522.643	2.779	0	40	KFAB	
Cc1cccc(CN(C(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)[C@H](C)C(=O)NC(C)(C)C)c1	261016921	VLVRBOHFQPRIGV-LJQANCHMSA-N	517.648	2.864	0	40	KFAB	
CC(C)OC(=O)[C@H](C)N[P@@](=O)(COC[C@@]1(F)O[C@H](n2ccc(O)nc2=O)C(C)(C)[C@@H]1O)Oc1ccccc1	299754562	RDKOCGVFLJEDRE-HMVOUWKQSA-N	557.512	2.707	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccncc3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br	408767247	FDHURJQEKJJQMD-LYFUXTGPSA-N	544.427	2.973	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	408981445	HKSZMQUVSPIQPU-WCDDXEHASA-N	582.631	2.678	0	40	KFAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cccc(O)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	409107252	QGHKLXUVOWAONQ-MGSPXPDISA-N	507.612	2.826	0	40	KFAB	
NC(=O)C[C@@H](c1cc(F)c(F)c(F)c1)c1oc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c1O	524734328	UAKKUNKSBFIJSZ-KMFMINBZSA-N	515.488	2.551	0	40	KFAB	
COc1ccc(CN2CCN(C(C)=O)C[C@](O)(COc3ccc(F)cc3)C2)cc1OCCCn1cccn1	585280295	MGKQBTZXBMQOHM-NDEPHWFRSA-N	526.609	2.974	0	40	KFAB	
COc1cc(CCC(=O)N2CCO[C@@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCOCC3)C2)on1	585282789	APUYGYIRRACJMO-VWLOTQADSA-N	521.998	2.503	0	40	KFAB	
CCOCCCN(C(=O)Cn1nnc(-c2ccc(OC)cc2)n1)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccc(F)cc1	6600058	HJGONAHAGVEMGQ-AHWVRZQESA-N	554.623	2.780	0	40	KFAB	
Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1	12549740	XCHXRVMUDQDTEZ-JOCHJYFZSA-N	523.677	2.656	0	40	KFAB	
COc1cc2c(c(OC)c1OC)-c1ccc(NCCCN3CCOCC3)c(=O)cc1[C@@H](NC(C)=O)CC2	20111204	OSPXGYHIVDMYAG-QFIPXVFZSA-N	511.619	2.997	0	40	KFAB	biogenic
COc1ccc(C(=O)Nc2nc3c(s2)C[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]3CC(=O)NCCN2CCOCC2)cc1	35958823	HAELBHJEAVIYMB-CZBFSEFDSA-N	586.755	2.658	0	40	KFAB	biogenic,in-vitro
COc1ccc2cc([C@@H](c3nnnn3CCc3ccccc3)N3CCN(C(=O)c4ccco4)CC3)c(=O)[nH]c2c1	100342392	VDKIVKLJPJYZGU-SANMLTNESA-N	539.596	2.906	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O	225450834	RFDUTWZNBGXVEL-KRWDZBQOSA-N	510.454	2.995	0	40	KFAB	
COc1ccc(OC)c(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)C(c3ccccc3)c3ccccc3)C2)c1	408670995	RHYYQYWLESZKCC-OAQYLSRUSA-N	531.565	2.897	0	40	KFAB	
CCOC(=O)COc1cccc(/C=c2\sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OCC)=C(C)N=3)c1	408770234	VBUWEBUKYNQTPY-QUYTYNJFSA-N	512.609	2.802	0	40	KFAB	
CC(C)(C)OC(=O)N1CCC(O)(CN2CCC3(CCCCNC(=O)c4ccccc4OCCNC3=O)CC2)CC1	643568923	RIVOCLDBUCGBAC-UHFFFAOYSA-N	558.720	2.940	0	40	KFAB	
CN1C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC[C@@H](C(=O)O)NC(=O)c2ccccc2OC[C@H]1Cc1ccccc1	643569194	MKFNTGHQIAXIPJ-RZFJZAQRSA-N	559.619	2.545	0	40	KFAB	
CCOC(=O)c1cccc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(F)cc2)c1	1222967	HLRBSHNDNYVLNN-UHFFFAOYSA-N	525.562	2.529	0	40	KFAB	
CCOC(=O)CNC(=O)[C@H](c1c[nH]c2ccccc12)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(CC)cc1	6821954	PBGCXQMFTGBATC-QHCPKHFHSA-N	548.625	2.935	0	40	KFAB	
COc1ccc(NC(=O)[C@@H](c2ccc(OC)cc2)N(Cc2ccco2)C(=O)C[C@H]2NC(=O)NC2=O)cc1	9601422	QYOLBTBPLYDETO-FYYLOGMGSA-N	506.515	2.604	0	40	KFAB	
O=C(COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1	59851918	ZZROATZBGGRYTE-UHFFFAOYSA-N	624.535	2.966	0	40	KFAB	
Cc1cc(C)cc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1	96302100	ZSABFRUOQUPFGW-QHCPKHFHSA-N	531.579	2.800	0	40	KFAB	
CC[C@@H](C(=O)N[C@H]1C(=O)N2C(C(=O)O)=C(CSc3nnc(C)s3)CS[C@H]12)n1nc(C)c(Cl)c1C	97947833	ZJZIJNIHLGQSQC-XAYKYTGQSA-N	543.096	2.795	0	40	KFAB	
CCOC(=O)COc1c(I)cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc1OC	205871766	SNVFZIFPCJOOGV-MHWRWJLKSA-N	574.393	2.900	0	40	KFAB	
CC(C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	224631059	NBOCVWUXBWGSBD-QGZVFWFLSA-N	524.039	2.819	0	40	KFAB	
CCOC(=O)c1ccc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H]5Sc6[nH]c(=O)sc6C(C)(C)[C@H]45)[C@H]3C2=O)cc1	245228699	CPTVKKABNVQKSK-XOCCCFSASA-N	541.651	2.871	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@H](NC(=S)Oc2cccc(Oc3ccccc3)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	254624332	NSLNXOJKPCPSDD-FYQRJBHISA-N	575.592	2.815	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(N(C)C)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	408862426	YQXDYHUUASMNNM-CYEGBWLXSA-N	560.426	2.949	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC(C)=O)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409043463	MJQNLDLOFBSJOO-ASZHOJRSSA-N	594.642	2.674	0	40	KFAB	
CS(=O)(=O)CC[C@H](C(=O)OCC(=O)c1cccs1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O	409180155	WSHHYTNQXPIENL-CQSZACIVSA-N	504.369	2.880	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OC)c(OCCn3cc(C)cn3)c2)C[C@](O)(COc2cc(F)cc(F)c2)C1	585274928	RSWHOKNRNXCYGF-GDLZYMKVSA-N	574.625	2.658	0	40	KFAB	
COc1ccc(CCN(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC(C)(C)C)c2ccco2)cc1OC	6074626	BIUPJZCJGHNGHW-HXUWFJFHSA-N	529.619	2.775	0	40	KFAB	
CC(C)CCNC(=O)[C@H](c1ccncc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCCO2	6076972	XDYIWFIZQPSPIY-NRFANRHFSA-N	524.603	2.541	0	40	KFAB	
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nc4ccc(S(N)(=O)=O)cc4s3)cc2)C1	9367545	GPPPCHYKLDVMTF-KBPBESRZSA-N	508.647	2.863	0	40	KFAB	
COc1ccccc1N1CCN([C@@H](c2cc3ccc(C)cc3[nH]c2=O)c2nnnn2C[C@H]2CCCO2)CC1	19940601	AWCTZHRCAKAFSY-RLWLMLJZSA-N	515.618	2.922	0	40	KFAB	
COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(Cc4ccccc4)CC3)cc2c1	19940675	RYELDCLHVGZFJQ-OZXSUGGESA-N	515.618	2.609	0	40	KFAB	
Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(Cc4ccco4)CC3)cc2c1	20083244	OVSAYTLMKXPHOM-DHLKQENFSA-N	503.607	2.811	0	40	KFAB	
CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)N1CCC2(CC1)NCCc1nc[nH]c12	25108255	KYKALJDUMOLYGZ-GOSISDBHSA-N	506.470	2.687	0	40	KFAB	biogenic
COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2)cc1OC	38145010	JZBABAPOZUQWCY-VGSWGCGISA-N	539.614	2.525	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(S(=O)(=O)Nc4cccnc4)cc3)C2)cc1	60028632	DKNLYESJGMXFJN-GOSISDBHSA-N	530.628	2.930	0	40	KFAB	
CCOC(=O)c1oc2cc(O[C@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)ccc2c(=O)c1-c1ccc2c(c1)OCCO2	79183274	CONXBBMDYHPWGK-JLLOMPEGSA-N	698.630	2.870	0	40	KFAB	
CCOC(=O)Cn1/c(=N/C(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)sc2cc(S(N)(=O)=O)ccc21	100877639	TXWYVOSBTNCODW-RFBIWTDZSA-N	588.689	2.764	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)Cc3ccc(Cl)cc3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	135907214	JWTWVAVUQMMSIC-IXSXPGEMSA-N	592.981	2.933	0	40	KFAB	
CC[C@@H](O)[C@@](C)(O)[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@@]2(C)CC(C)=C(O2)[C@@H]1C	169731022	NMIWBQUQCOMGHJ-NCAHTTHGSA-N	715.922	2.892	0	40	KFAB	in-vitro
CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1	222807027	YLMYIQQUQIYRRR-HXUWFJFHSA-N	553.637	2.825	0	40	KFAB	
COCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1	222888323	CLPITDQXLUUDKA-LJQANCHMSA-N	519.639	2.769	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)c2ccccc2OC)cc1	224295095	FVKQWIOIKRFPFB-UHFFFAOYSA-N	603.719	2.879	0	40	KFAB	
COC(=O)CSc1nnc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)s1	224518623	WIUYNUYAHMKBOG-UHFFFAOYSA-N	554.603	2.548	0	40	KFAB	
COc1cc(OC)cc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3ccc(Cl)cc3Cl)CC2=O)c1	408662070	WXPNCECHWMNTSA-CYBMUJFWSA-N	510.330	2.686	0	40	KFAB	
CCOC(=O)C1=c2s/c(=C\c3cccs3)c(=O)n2C(N)=C(S(=O)(=O)c2ccccc2)[C@H]1c1cccs1	1762616	DVIYNFDFQYZXNO-BSKAQADGSA-N	556.712	2.932	0	40	KFAB	
O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(S(=O)(=O)NCc2ccco2)cc1	13026716	VUFSXVXUBFODJJ-UHFFFAOYSA-N	513.557	2.601	0	40	KFAB	
Cc1c(C)c2c(OCC(=O)N[C@H](CC(C)C)C(=O)NCCCO)cc3c(c2oc1=O)CCC(C)(C)O3	13548334	BUHGESUQWHDKQF-LJQANCHMSA-N	502.608	2.922	0	40	KFAB	biogenic
CCc1ccccc1NC(=O)C[C@H]1C(=O)NCCN1C(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1	19961814	YBIPQPPPFMCLAM-QHCPKHFHSA-N	531.579	2.746	0	40	KFAB	
CN(c1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2)c1)S(C)(=O)=O	20110725	RVQMZFIDBQLDFW-UHFFFAOYSA-N	500.042	2.916	0	40	KFAB	
O=C(c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1)N1CCN(C(=O)c2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)CC1	100568465	JNWWRXMTGBUCGZ-ZJFNJLSOSA-N	616.674	2.908	0	40	KFAB	
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(F)cc3)S(=O)(=O)N(C)C)cc2)c(OC)c1	113515955	GHVCEHAXMXVNSK-UHFFFAOYSA-N	566.633	2.895	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@@H](NC(=O)c2cc(-c3ccccc3)nc3ccccc23)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	195528840	VVMNWCWAUDNQKP-ZYDWWTBCSA-N	578.574	2.715	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)C2)cc1Cl	222537305	IDFNNCCZIKEKAD-MRXNPFEDSA-N	530.068	2.947	0	40	KFAB	
COCCNS(=O)(=O)c1ccc(OCC(=O)N2C[C@H](C(=O)NCc3ccccc3)Oc3ccccc32)c(Cl)c1	222835683	JIYIQGWFNTUIJV-RUZDIDTESA-N	574.055	2.754	0	40	KFAB	
COCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	223005498	PACPHSNXWKLXIB-PMERELPUSA-N	609.745	2.879	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	223756448	DJHMQNDSNUPNQG-MRXNPFEDSA-N	510.012	2.778	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	223913766	OGJLEHXESSTAOY-MRXNPFEDSA-N	554.463	2.887	0	40	KFAB	
CCCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	224025343	QXBVJHOIIJOOJU-QFIPXVFZSA-N	515.632	2.954	0	40	KFAB	
CCOc1ccc(N(CC(=O)N(Cc2cccc(Br)c2)[C@@H](C)C(=O)NC)S(C)(=O)=O)cc1	225451916	BXFBXAASBSZXBI-INIZCTEOSA-N	526.453	2.777	0	40	KFAB	
CCn1c(=N/N=c2/sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21	390825761	ZTOJFFHGPLIVKC-KWNZBJHBSA-N	514.632	2.669	0	40	KFAB	
NC(=O)C[C@H](c1ccc2ncccc2c1)c1oc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c1O	524731843	MGGRZUZCBPBUFV-PIPMEXSNSA-N	512.566	2.682	0	40	KFAB	biogenic
Cc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@H](C(=O)NC3CCCC3)c3ccc(F)cc3)n2)o1	885986	LJSHFAOBZGPGLA-SANMLTNESA-N	553.639	2.732	0	40	KFAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)Cn4nc(C(F)F)c(Br)c4C)[C@H]3SC2)s1	2788283	FIOGMPMACJQLAP-MLGOLLRUSA-N	595.473	2.582	0	40	KFAB	
O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)N1CCN(c2cccc(Cl)c2)CC1	22250269	DHONIBNEGKWZKH-UHFFFAOYSA-N	514.431	2.742	0	40	KFAB	
COc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)Nc2ccc(I)cc2)cc1C	28209904	VKBLTXIANVOCAA-MRXNPFEDSA-N	514.341	2.927	0	40	KFAB	
COc1ccc(C[C@@]2(C)C(=O)N(Cc3nnnn3-c3ccccc3)C(=O)N2Cc2nnnn2-c2ccccc2)cc1OC	102838156	VHZKZUZQYNINQR-LJAQVGFWSA-N	580.609	2.621	0	40	KFAB	
Cc1ccccc1N1CCN(C(=O)c2cn(C)nc2S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)CC1	102921231	CSCIWNPLBYJHKY-UHFFFAOYSA-N	543.093	2.855	0	40	KFAB	
CCn1c(SCC(=O)N(C2CCCCC2)[C@H]2CCS(=O)(=O)C2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	103123519	ZFWJZOOALCPGEN-FQEVSTJZSA-N	584.786	2.518	0	40	KFAB	
O=C(Nc1nc(=O)c2ncn([C@H]3O[C@@H](COC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@@H]3O)c2[nH]1)c1ccccc1	104852179	HIJNYMIHLOJOED-LYLWFKAPSA-N	595.568	2.713	0	40	KFAB	
CCc1c(O[C@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)ccc(C(=O)Cc2ccc3c(c2)OCO3)c1O	170621335	VBEJBERDNOPXME-NJZWRIFFSA-N	630.599	2.571	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O	222700355	ZKKFUPVDTVBQHE-CQSZACIVSA-N	502.420	2.931	0	40	KFAB	
C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)N(Cc1ccccc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O	222707894	MLVCDLHXZLJIMW-NRFANRHFSA-N	537.638	2.911	0	40	KFAB	
CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)c(Cl)c1	222843702	ACEOHIIEINMNTD-UHFFFAOYSA-N	518.057	2.995	0	40	KFAB	
CC[C@@H](C(=O)Nc1nnc(SCC(=O)OC)s1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O	223052056	RBOLMWOXYXUAIM-NSHDSACASA-N	509.031	2.649	0	40	KFAB	
CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	224197077	ZCMKPUFADGTAEE-NRFANRHFSA-N	505.637	2.722	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1	224521283	JUQRKPJEAAUONA-UHFFFAOYSA-N	521.661	2.836	0	40	KFAB	
COc1cccc(N(CCCC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2OC)S(C)(=O)=O)c1	224938202	OEDOFPOUOIYOHE-UHFFFAOYSA-N	525.649	2.673	0	40	KFAB	
COc1ccc(CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C)C(=O)NC2CCCCC2)cc1	224966874	VLLGKMJJMXZHGC-SFHVURJKSA-N	513.616	2.706	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O	225450705	CXRUWZVEEINSOO-QGZVFWFLSA-N	510.454	2.995	0	40	KFAB	
COC(=O)CN1C(=O)N/C(=C/c2cc(Br)c(OCC(=O)Nc3ccccc3)c(OC)c2)C1=O	408549227	RDISUEPXNUTZEG-CXUHLZMHSA-N	518.320	2.541	0	40	KFAB	
CCOc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)c(Br)cc1OCC(=O)Nc1ccccc1	408592416	MKDIHUMFNPPPJF-LZYBPNLTSA-N	518.320	2.843	0	40	KFAB	
Cc1cc(OC[C@]2(CC(=O)N3CCC(O)CC3)CCCN(C(=O)CN3CCOCC3)C2)cc(C)c1Cl	585286054	HBTBITOQVCQEFD-MHZLTWQESA-N	522.086	2.650	0	40	KFAB	
CC(=O)N1CCCN(Cc2ccccc2)CCN(C(=O)[C@H]2COCCN(S(=O)(=O)N(C)C)C2)Cc2cc(Cl)ccc21	643554515	UQIONPVYBKSHTC-AREMUKBSSA-N	606.189	2.682	0	40	KFAB	
CC[C@H](C)[C@@H]1NC(=O)C[C@@H](C(=O)NCc2ccc(CN3CCCCC3)cc2)NC(=O)c2ccccc2OCCN(C)C1=O	643566065	OPQOMPLKGUQNBO-VZPHFUHGSA-N	591.753	2.859	0	40	KFAB	
Cc1noc(C)c1-c1ccc2c(c1)NC(=O)CN1CCN(S(=O)(=O)c3ccc(F)cc3)C[C@@H]1CO2	1772594753	VTKPVGUPENAOFU-LJQANCHMSA-N	500.552	2.804	0	40	KFAB	
CCOC(=O)CNC(=O)[C@H](c1ccc(OCC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1C	6601372	HOAYLPMYZXQKND-QFIPXVFZSA-N	539.614	2.599	0	40	KFAB	
COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1	12533035	CPACNVZAAZXWBX-UHFFFAOYSA-N	515.613	2.949	0	40	KFAB	
Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)N(C)C)C3)cc2)cc1Cl	30855686	CBAWZLIHJLLDKK-INIZCTEOSA-N	515.057	2.906	0	40	KFAB	
O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1	59838257	KTFUBPQQDHSTAL-VWLOTQADSA-N	622.563	2.676	0	40	KFAB	
COc1c2c(c(C)c3c1C(=O)OC3)O[C@@]1(C)C[C@@H](O)[C@@]34O[C@@](OC)(C[C@H](OC(C)=O)[C@]3(C)[C@@H]1C2)OC4(C)C	72320102	WDGSJYYXVXQQHP-LLWVQJCASA-N	532.586	2.955	0	40	KFAB	biogenic,in-man
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)O)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	100262607	BMTURKGMUDTJQK-NQDYMZAQSA-N	552.605	2.669	0	40	KFAB	
COCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1	222963906	PNSBJLVUXNUKJJ-FQEVSTJZSA-N	531.675	2.639	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCC(=O)O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	408832671	YMAUFGSHNUSZSX-AXADVEHHSA-N	694.500	2.892	0	40	KFAB	
COc1cccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2cccc(OC)c2)C(=O)NCc2ccccc2OC)c1	409378828	SBBZCHNDTHFJHD-ZEQRLZLVSA-N	537.521	2.864	0	40	KFAB	
COc1ccc(CN2CCN(C(C)=O)C[C@@](O)(COc3ccc(F)cc3)C2)cc1OCCn1ccnc1C	585280093	JMWQRBKDDPKWHK-MUUNZHRXSA-N	526.609	2.892	0	40	KFAB	
CC(C)C[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCOc2ccc(Cl)cc2)CC(=O)N2CCC[C@H]2C(=O)N1	643566029	UJOLKTXFPYNTJJ-ZODMCCGTSA-N	585.101	2.938	0	40	KFAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCOc2ccc(Cl)cc2)CC(=O)N[C@H](CC(C)C)C1=O	643578980	MEKIVFHLWAGWPO-BJKOFHAPSA-N	573.090	2.796	0	40	KFAB	
COc1ccc(CN2CC(=O)N3CC[C@@H](CC(=O)N4CCN(C=O)CC4)[C@@H](C=CCOc4ccccc4C2)C3)cc1	958317658	ALGDKDKPDWBLTC-SVBPBHIXSA-N	560.695	2.801	0	40	KFAB	
Cc1ccc(-n2c3c(c(=O)[nH]c2=O)[C@](NC(=O)c2cccc(C(F)(F)F)c2)(C(F)(F)F)C(=O)N3)cc1	1876432	SAILKJJQHAONFU-HXUWFJFHSA-N	512.366	2.993	0	40	KFAB	
CC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCC(c2ccccc2CCc2nnn[nH]2)CC1	3985554	NLJAGSJEAGPLOW-RUZDIDTESA-N	517.678	2.936	0	40	KFAB	
CC(=O)Cc1cc(=O)n([C@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c(=O)[nH]1	5385841	CVWRDQTZUVUBPC-HDUOHBRYSA-N	612.591	2.874	0	40	KFAB	
CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)NC(=O)c2cccn2C)c1	13129687	KTPZCSZVOTZSOX-UHFFFAOYSA-N	507.927	2.756	0	40	KFAB	
CCOc1ccccc1N1C[C@H](C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC(C)C)CC1=O	13134956	ODQAOCNJKPCFNV-LJQANCHMSA-N	531.631	2.885	0	40	KFAB	
C[C@H](C(=O)NC1CCCC1)N(C(=O)C[S@@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1ccc(F)cc1	19941236	PWOJBYPTQSNMDR-CUPYOXQXSA-N	517.579	2.722	0	40	KFAB	
O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1	59838675	QGDLPUZMLBHTFP-XMMPIXPASA-N	557.694	2.578	0	40	KFAB	
C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@@H](C)O)C(C)C)CC[C@]4(C)[C@@H]3CC[C@@]21C	70700709	KADOLKXSZIQGGJ-SRMDDGJOSA-N	585.742	2.777	0	40	KFAB	biogenic
CCC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C	100332038	QCHODQYHGOOTOS-NRFANRHFSA-N	543.068	2.734	0	40	KFAB	
CCN1C[C@]2(C)CC[C@H](OC(C)=O)[C@]34[C@@H]1[C@H](C[C@@H]32)[C@@]1(OC(C)=O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC(C)=O	100765862	BHOWLZWNBIHSFB-XIIMUGLQSA-N	503.636	2.963	0	40	KFAB	
C[C@]1(c2ccccc2Cl)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C1=O	103140092	PUPQHFPHEQARRW-AREMUKBSSA-N	541.029	2.793	0	40	KFAB	
O=c1n(-c2ccccc2)c(=O)n2n1[C@@H]1[C@H]3C4C5[C@]16C[C@@H]1[C@H](C[C@@]56[C@H]2[C@H]43)C1(Br)Br	104283800	KDSIPDSSIYSVPH-MDHPIYHGSA-N	503.194	2.914	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1C(=O)N1CCCCCC1	113634784	UHPKMIVVNRTPJR-UHFFFAOYSA-N	535.688	2.715	0	40	KFAB	
CCOC(=O)C1=c2s/c(=C/c3ccc(OC)c(OC)c3)c(=O)n2C(N)=C(S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(OC)c(OC)c1	150495806	VGVVQIPTYNFYMD-GWWHUTBASA-N	664.758	2.843	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O	223622170	PHLUBGPHHCYMAC-IBGZPJMESA-N	503.621	2.823	0	40	KFAB	
O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1	224435759	OXBWCBDXLAOTPY-UHFFFAOYSA-N	594.111	2.751	0	40	KFAB	
CC1CCN(c2cc(N3CCN(c4ccccc4)CC3)nc(NC(=S)NCCN3CCOCC3)n2)CC1	225904068	MQPXCCWONJHHBO-UHFFFAOYSA-N	524.739	2.658	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C)c1	260887692	KEKHCCVWASSMSS-QGZVFWFLSA-N	511.591	2.929	0	40	KFAB	
COC(=O)c1cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)c(C)c3)C2)cc(C(=O)OC)c1	408584945	WZJMVNYYEPCMIO-MRXNPFEDSA-N	504.561	2.616	0	40	KFAB	
COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)c(OC)c2)C1	408597992	YOCCOXHXLKARBL-HNNXBMFYSA-N	522.576	2.547	0	40	KFAB	
COc1cc2c(cc1OC)CN(C(=O)CCCN1C(=O)[C@@H]3Cc4cc(OC)c(OC)cc4CN3C1=O)CC2	604406000	WPNQTGKGULRZRP-NRFANRHFSA-N	523.586	2.775	0	40	KFAB	biogenic
CC(=O)N1CCCN(C)CCN(C(=O)CCc2cc([C@@H]3CCCN(S(C)(=O)=O)C3)nc(C)n2)Cc2ccccc21	643553752	DXNVTVGIRZOWNX-XMMPIXPASA-N	570.760	2.574	0	40	KFAB	
O=C(CN1CC[C@H]2NC(=O)[C@@H](Cc3ccccc3)NC(=O)C3(CC=CC[C@H]2C1)CCOCC3)Nc1ccc2nc(O)[nH]c2c1	2037879175	CNDKEYRPIVVFDO-KSCKTEMCSA-N	600.720	2.888	0	40	KFAB	
Cc1cc(I)ccc1NC(=O)COC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1	3275899	HUOCGLMAQPGDJN-UHFFFAOYSA-N	558.394	2.724	0	40	KFAB	
Cc1ccc(C)c(S(=O)(=O)Oc2ccccc2C(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)c1	3400004	MBOXGQSRPBQHHH-UHFFFAOYSA-N	526.567	2.806	0	40	KFAB	
CN(C)c1ccc(C(=O)N2CCN(C(=O)NC3CCCCC3)[C@H](C(=O)N[C@@H](CC3CCCCC3)C(N)=O)C2)cc1	8627209	FVGPKPSNKFTHLX-UIOOFZCWSA-N	554.736	2.862	0	40	KFAB	biogenic,in-vitro
COc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccco2)C(=O)c2snc(C(N)=O)c2N)cc1OC	12716786	YELWFOAKZJNBMT-NRFANRHFSA-N	527.603	2.877	0	40	KFAB	
C[C@H](NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1)c1ccccc1	13614666	OQVRADSRCREGMR-RDPSFJRHSA-N	513.641	2.628	0	40	KFAB	
COc1cccc(N(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)S(=O)(=O)c2ccccc2)c1	19799530	XNSVLZGUVDWERK-UHFFFAOYSA-N	523.611	2.964	0	40	KFAB	
O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1	20031866	YOXYFBRKJXZMNZ-HXUWFJFHSA-N	523.652	2.717	0	40	KFAB	
CC(C)CN(C[C@@H](OP(=O)(O)O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1	38143537	MLBVMOWEQCZNCC-YFNKSVMNSA-N	585.616	2.520	0	40	KFAB	in-vitro
COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1Cl	59838163	PTYNKVOCUQFZOH-INIZCTEOSA-N	530.068	2.506	0	40	KFAB	
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)[C@@H](C)CC)C(=O)O	70705038	ZADGHZJEVVLUPY-LWMMKVNCSA-N	536.629	2.620	0	40	KFAB	biogenic
O=C(Nc1nc(=O)c2ncn([C@@H]3O[C@H](COC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@@H]3O)c2[nH]1)c1ccccc1	222085301	HIJNYMIHLOJOED-ZYPUAGOQSA-N	595.568	2.713	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3C[C@@H](C(=O)OC)Oc4ccccc43)C2)cc1C	222590071	HODPYWLCPCQJTB-JPYJTQIMSA-N	502.589	2.762	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCc1cccc(CN2CCCCC2)c1	224700844	LWWVYVBPFQODNQ-UHFFFAOYSA-N	515.676	2.951	0	40	KFAB	
Cc1cc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NC[C@H](C)O)CC3=O)cc2)ccc1Br	408580981	SDTSIFKJTCXARB-HOTGVXAUSA-N	504.381	2.625	0	40	KFAB	
CCOC(=O)COc1ccc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1I	409400706	QFNOEZPJQKZOOO-DHDCSXOGSA-N	554.293	2.706	0	40	KFAB	
O=S1(=O)C[C@@H]2[C@@H](C1)N(Cc1cccc(Cl)c1)[C@H]1CS(=O)(=O)C[C@H]1N2Cc1cccc(Cl)c1	575420124	GAYGCHHVCBKQCS-YSFYHYPLSA-N	515.484	2.642	0	40	KFAB	
COCC(=O)N1CCN(Cc2cccc(OCCCn3ccnc3)c2)C[C@@](O)(COc2ccc(C)cc2)C1	585274099	VXAOBJYQGPGYKW-LJAQVGFWSA-N	522.646	2.761	0	40	KFAB	
COc1ccc(C(=O)N2CCCCC3(CCN(Cc4ccccn4)CC3)C(=O)OC[C@@H](O)[C@@H](O)CC2)cc1	643580907	YEVXLFHJJDQVQD-IZZNHLLZSA-N	525.646	2.654	0	40	KFAB	
CCOC(=O)C1=C(N)n2c(s/c(=C\c3ccc(C)cc3)c2=O)=C(C(=O)OCC)[C@@H]1c1ccc(C)cc1	1773708	XKLBQSKELPQYFC-WOHXKIKESA-N	504.608	2.557	0	40	KFAB	
COc1ccc(/C=C/C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)cc1OC	12562037	VYGPUUMIPZTXCM-UXBLZVDNSA-N	501.605	2.977	0	40	KFAB	
COCCCN(C(=S)NC(=O)C12CC3CC(CC(C3)C1)C2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	12659160	ZNDZLJCDRNCJJC-UHFFFAOYSA-N	525.675	2.628	0	40	KFAB	
CC(C)(C)n1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(Cc2ccc3c(c2)OCO3)CC1	19371903	SODDGDOVDYAHJI-RUZDIDTESA-N	545.600	2.634	0	40	KFAB	
COc1ccc(S(=O)(=O)c2cnc(SCC(=O)NCc3ccc(Cl)cc3)[nH]c2=O)cc1OC	46016418	JTDKQMKLWZPYIC-UHFFFAOYSA-N	509.993	2.682	0	40	KFAB	
NS(=O)(=O)c1ccc(CNC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1	59837630	XPDWEUMHXVMEEJ-UHFFFAOYSA-N	552.472	2.604	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2)cc1OC	59838456	GVPFAYPBHFTLSG-UHFFFAOYSA-N	565.714	2.596	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)COc3ccc(Br)cc3)CC2)c(C)c1	72142406	JHBUYCJVKMDNLQ-UHFFFAOYSA-N	525.421	2.521	0	40	KFAB	
CCOC(=O)/C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(=O)[C@H](NC(=O)c1cc(C)on1)C(C)C)Cc1ccc(F)cc1	97943123	CAYJBRBGZBCZKO-QBDREFFESA-N	598.672	2.825	0	40	KFAB	
COc1cc2c(=O)n(Cc3ccc(C(=O)NC4CC4)cc3)c(=O)n(CC(=O)NC3CCCCC3)c2cc1OC	102524424	RHFCSEIEVVRGOX-UHFFFAOYSA-N	534.613	2.570	0	40	KFAB	
COc1cc(OC)c(N(C)S(=O)(=O)c2cccc(C(=O)OCC(=O)NC(=O)NC(C)C)c2)cc1Cl	103088772	KCKXHWMHYYFSJK-UHFFFAOYSA-N	527.983	2.573	0	40	KFAB	
O=C1NC(=O)[C@](Cc2cccs2)(CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)C(=O)N1c1ccccc1	137436436	IXSOGNQHHMUEMT-CUMRGQLISA-N	502.596	2.841	0	40	KFAB	
COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc(I)c1OC	205869570	LBWSXJOEICJBAX-NTEUORMPSA-N	502.330	2.967	0	40	KFAB	
CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225121636	XGZOTYYKVQHIFA-JOCHJYFZSA-N	517.648	2.866	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	261005488	SJPGKURGUWDBIP-OALUTQOASA-N	535.663	2.810	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NC(C)(C)C)c1ccc2c(c1)OCO2	261021113	WBILNPVMMXVKLV-GOSISDBHSA-N	503.621	2.903	0	40	KFAB	
COc1ccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3ccc(Br)cc3Cl)CC2=O)cc1OC	408662675	XKHLMNWYNPJRNF-ZDUSSCGKSA-N	554.781	2.795	0	40	KFAB	
CC(C)(C)CN1C[C@@H]2C[C@H]1C(=O)NC[C@H]1O[C@H](CCOc3cc(-c4ccncc4)ccc3C(=O)N2)CC[C@@H]1O	514287500	GUHIHEQLZSFMSW-ZUGAHZRVSA-N	536.673	2.775	0	40	KFAB	
COCC(=O)N1C[C@H](CC(C)C)N(C(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2OC)CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)C1	643913226	LWUYCAXXVWQOPD-KZKRWDMYSA-N	714.886	2.696	0	40	KFAB	
O=C(CSc1nnc(SCC(=O)NCc2ccc3c(c2)OCO3)s1)NCc1ccc2c(c1)OCO2	3228094	LCQVWFOCAKLLQY-UHFFFAOYSA-N	532.625	2.813	0	40	KFAB	
CCOC(=O)c1sc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c(C(=O)OCC)c1C	6599496	YFGJKSVBTGFQNC-UHFFFAOYSA-N	510.590	2.683	0	40	KFAB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	16479089	DPCQLZGQLPQTNF-UHFFFAOYSA-N	521.639	2.993	0	40	KFAB	
O=c1[nH]c2cc3c(cc2cc1CN(Cc1cccs1)C(=S)NCCCN1CCOCC1)OCCO3	19940551	YPABOSLAUCJUAP-UHFFFAOYSA-N	514.673	2.960	0	40	KFAB	
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)n1	20046602	FKEYSJSSZHQBAL-UHFFFAOYSA-N	509.997	2.644	0	40	KFAB	
COc1ccc(OS(=O)(=O)O)cc1OCCNC[C@H](O)COc1cccc2[nH]c3ccccc3c12	65742971	YOIFXDJMLPGVMJ-INIZCTEOSA-N	502.545	2.920	0	40	KFAB	in-vitro
Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)c3ccccc3)C(C)C)ccc12	85577171	QBDRNGBZKAOZHF-OLWNVYNHSA-N	681.794	2.970	0	40	KFAB	
COC(=O)C1=C(N)n2c(s/c(=C/c3ccc(OC(C)C)c(OC)c3)c2=O)=C(C(=O)OC)[C@@H]1c1ccc(OC(C)C)c(OC)c1	97968568	UCMAATOLOXTXNW-TZPPZLRXSA-N	624.712	2.752	0	40	KFAB	
C[C@@H](C(=O)NCc1ccco1)N(Cc1ccc(F)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O	222861307	MXWVMPNBWHPGMP-IBGZPJMESA-N	501.580	2.914	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O	223002179	BBHUGDLTVIDTTJ-MRXNPFEDSA-N	526.453	2.777	0	40	KFAB	
COc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C(=O)N1CCCCCC1	224304111	HEIBPJQTGCJJII-UHFFFAOYSA-N	565.714	2.853	0	40	KFAB	
Cc1ccc2c(c1)O[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N3CCCC3)cc1)CN2S(=O)(=O)c1ccccc1	224324741	ATHULWKKTNQRSQ-MHZLTWQESA-N	585.704	2.931	0	40	KFAB	
Cc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1	224444698	MITGQDKILPRGLJ-UHFFFAOYSA-N	591.683	2.546	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	225180277	CFPBDZDVMFWHQV-GOSISDBHSA-N	523.627	2.943	0	40	KFAB	
COc1cc(CN(C)C(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)cc(OC)c1OC	226020687	RIIIUGCJAVKUNI-UHFFFAOYSA-N	501.399	2.754	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2cccc(C(C)=O)c2)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C)cc1	260936349	YKENPDNQTMUPQQ-LJQANCHMSA-N	517.648	2.853	0	40	KFAB	
CCOC(=O)COc1cc(Br)c(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1OC	409400509	SDCGQLPGLFTJOQ-CHHVJCJISA-N	537.319	2.872	0	40	KFAB	
COCC(=O)N1CCN(Cc2cccc(OCCCn3cccn3)c2)C[C@@](O)(COc2ccc(C)cc2)C1	585275010	TVZOKSGLZGAJRD-LJAQVGFWSA-N	522.646	2.761	0	40	KFAB	
COCC(=O)N1CCN(Cc2cccc(OCCn3cc(C)cn3)c2)C[C@@](O)(COc2cc(F)cc(F)c2)C1	585275044	UTXIAEQYRWRMCZ-NDEPHWFRSA-N	544.599	2.649	0	40	KFAB	
COCCC[C@H]1O[C@@](O)([C@@H](C)[C@@H]2C[C@H](OC)[C@H](O)C=C(C)C=C(C)C=C(C)[C@@H](O[C@H]3O[C@H](C)[C@@H](OC)[C@H](O)[C@H]3O)[C@H](C)C=C(CO)C=C(OC)C=C(C)C(=O)O2)[C@H](OC)[C@@H](O)[C@]1(C)O	2048392560	VTVRDHRYRTVEOZ-QMNFKABHSA-N	913.108	2.692	0	40	KFAB	
O=C(O)[C@@H](CO)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O	938107	NLRJCROSGYRCIU-UWTATZPHSA-N	550.779	2.778	0	40	KFAB	
CCOC(=O)CNC(=O)[C@H](c1c[nH]c2ccccc12)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(F)c1	6546917	AGXHYXYASOTPRH-NRFANRHFSA-N	538.561	2.512	0	40	KFAB	
CCOc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C[C@H]2CCCO2)C(=O)Cn2nnc3ccccc32)cc1	12480148	RGEUHPYCZFZXLD-QHWMMSMNSA-N	521.618	2.874	0	40	KFAB	
O=C(CSc1nnc(CCCN2C(=O)c3cccc4cccc(c34)C2=O)n1-c1ccccc1)NCCO	16755372	UUGWIYFTBABDOT-UHFFFAOYSA-N	515.595	2.850	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)Nc3nnc(C4CCCCC4)s3)CC2)cc1	17198354	LTHMLSWTHVSQLG-UHFFFAOYSA-N	521.665	2.846	0	40	KFAB	
Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@]1(CC(O)=N2)C(=O)N(Cc2nnnn2-c2ccc(F)cc2)c2ccccc21	101409655	KIXGDEQFYIADJJ-HHHXNRCGSA-N	562.529	2.786	0	40	KFAB	
CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3F)CC2)c1	103006934	UUIKJCVVPNAHLF-UHFFFAOYSA-N	546.646	2.596	0	40	KFAB	
COc1ccc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3cccc(Cl)c3Cl)CC2=O)cc1OC	139096836	IOFQCYMSEQIYLO-CYBMUJFWSA-N	510.330	2.686	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O	222748162	DYYOBVRGMBPNKE-AWEZNQCLSA-N	502.420	2.931	0	40	KFAB	
CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	224381727	OLUNZWXGKIGSPK-NRFANRHFSA-N	521.611	2.697	0	40	KFAB	
C[C@@H]1NC(=O)C[C@@H](C(=O)NCCCn2ccc(C(F)(F)F)n2)NC(=O)c2ccccc2OC[C@H](Cc2ccccc2)N(C)C1=O	643565007	BIJQMKXHLGGGLX-SSPYTLHUSA-N	628.652	2.564	0	40	KFAB	
CC(C)[C@@H](CO)NC(=O)CN1CCCCCCOc2ccccc2N(CC(=O)N[C@H](CO)C(C)C)c2cncc(c2)C1=O	643584731	IRNJXTMQQSXIJT-KAYWLYCHSA-N	597.757	2.881	0	40	KFAB	
CCC[C@@H](C(=O)NCCC(C)C)N(CCc1ccc(OC)c(OC)c1)C(=O)c1snc(C(N)=O)c1N	6501145	WJYCJAVNOVHLSB-KRWDZBQOSA-N	519.668	2.857	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@H]1c1ccc(SC)cc1	8767085	LZNKWWOTCRDRAL-VGBYGFDOSA-N	538.695	2.865	0	40	KFAB	
COC(=O)[C@]1(c2ccccc2)N[C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21	12497983	YFEFDAGKSLPAEF-NLJXWPIHSA-N	500.507	2.682	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C	20031216	PBJJRRYSUSWDKJ-UHFFFAOYSA-N	523.677	2.505	0	40	KFAB	
Cc1cc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)ccc1-n1cnnn1	100336822	HTQSRVUQQNMCTP-NEKDWFFYSA-N	569.601	2.924	0	40	KFAB	
CCOc1cc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]2[C@@H]2C[C@@H]3[C@H]3C(=O)N(CCCC(=O)O)C(=O)[C@@H]32)ccc1O	101175660	ZFUKKOJNNQZJMT-GBHKVGIESA-N	530.624	2.879	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(=O)c(-c4nc(C)cs4)coc3c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	170621388	LODGFUDXZVUDFR-DZBYEKKFSA-N	589.575	2.687	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	222878558	KJDUBCAHEOPODQ-XMMPIXPASA-N	535.622	2.616	0	40	KFAB	
CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	222889210	PQOGZTFZQVLGAT-JOCHJYFZSA-N	522.643	2.779	0	40	KFAB	
COC(=O)CSc1nnc(NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(OC)cc2)s1	222933797	JHVGBVKMJIPRDI-UHFFFAOYSA-N	538.629	2.654	0	40	KFAB	
CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C	224897567	DQBGTFYQQNMTKB-DEOSSOPVSA-N	518.680	2.888	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	225228979	XNIJLPWUNNDSRD-IAGOWNOFSA-N	507.584	2.652	0	40	KFAB	
CCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	225378305	QJDXSBWUVVTUDH-NRFANRHFSA-N	519.620	2.524	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1	225470188	BNYSVLQYSQDFHG-UHFFFAOYSA-N	507.634	2.519	0	40	KFAB	
CCCN1C[C@H](C)[C@H](O)[C@](C)(O)[C@H](CC)OC(=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]1C	504567003	VWAMTBXLZPEDQO-OIZRNADBSA-N	777.050	2.681	0	40	KFAB	biogenic
CC(C)C[C@H]1COc2ccc(Cl)cc2C(=O)NCCCCN(C(=O)CCn2ccccc2=O)CC(=O)N1	643556757	PPMOACCHZRQVFH-NRFANRHFSA-N	531.053	2.854	0	40	KFAB	
C[C@@H]1COc2ccccc2C(=O)NCCCCC2(CCN(C(=O)[C@H](N)Cc3cccc(F)c3)CC2)C(=O)N1	643560701	CHSIMTXJGABIBR-HYBUGGRVSA-N	524.637	2.802	0	40	KFAB	
CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)NCCc2ccc(F)cc2)NC(=O)c2ccccc2OC[C@H]2CCCN2C1=O	643566861	KYRAKPYYALEQLG-VJTSUQJLSA-N	552.647	2.587	0	40	KFAB	
Cn1c(=O)n([C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)c(=O)c2ccccc21	8791097	NPOHCHLEKBIPLP-ZCYQVOJMSA-N	510.550	2.777	0	40	KFAB	biogenic
CCCN1CCN([C@H](c2cc3cc4c(cc3[nH]c2=O)OCO4)c2nnnn2Cc2ccc(F)cc2)CC1	20080955	CAENOKXBCNJEKE-XMMPIXPASA-N	505.554	2.548	0	40	KFAB	
COc1ccc(CN(C)C(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)cc1OC	20459236	RGLKEARHECVERO-UHFFFAOYSA-N	518.373	2.733	0	40	KFAB	
CCCOc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1OC	32910649	ZXFJCKBGZCAIRM-UHFFFAOYSA-N	504.605	2.791	0	40	KFAB	
COc1ccc([C@H](CNC(=O)CCNS(=O)(=O)c2ccccc2C(F)(F)F)N2CCOCC2)cc1	32969188	PVCCCORJEFPTFT-FQEVSTJZSA-N	515.554	2.572	0	40	KFAB	
COc1cc(NC(=O)c2cn(C)nc2S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)cc(OC)c1	67338117	GNDQEWLJVILGDG-UHFFFAOYSA-N	513.620	2.817	0	40	KFAB	
O=C(c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1)N1CCN(C(=O)c2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)CC1	100568467	JNWWRXMTGBUCGZ-XDIHCEEDSA-N	616.674	2.908	0	40	KFAB	
O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1cccc(Cl)c1	102245853	JPIPENXLHQZIJD-OAQYLSRUSA-N	537.970	2.837	0	40	KFAB	
COc1ccc([C@H](c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1	102908506	IQJVVOGGOMXGPY-MUUNZHRXSA-N	589.718	2.590	0	40	KFAB	
CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O	222867124	MQTVDYBVSAXHLG-QHCPKHFHSA-N	505.637	2.802	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCc1ccc(OC(C)C)c(OC)c1	223079594	NOWSBDJXCDIMPF-UHFFFAOYSA-N	506.621	2.761	0	40	KFAB	
CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	223111500	CVQGQTSYNHPJBW-DEOSSOPVSA-N	537.638	2.958	0	40	KFAB	
COC(=O)CSc1nnc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(OC)cc3)cc2)s1	223243369	FLVZKCPRFDOIDE-UHFFFAOYSA-N	508.603	2.889	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	223501224	YJZUNKZHTRGXNU-IBGZPJMESA-N	533.647	2.914	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	223859517	WZHXDJBINRRTOH-QGZVFWFLSA-N	509.600	2.552	0	40	KFAB	
CCc1cc2c(=O)c(-c3nc(C)cs3)coc2cc1O[C@@H](C)C(=O)N[C@H](CCCNC(N)=O)C(=O)O	256027866	HALZLNPMUVRHCC-SUMWQHHRSA-N	516.576	2.573	0	40	KFAB	
CCOC(=O)COc1c(Cl)cc(C(c2c(O)n(C)c(=S)n(C)c2=O)c2c(O)n(C)c(=S)n(C)c2=O)cc1OCC	409108243	SSBRZFWGMJBZPZ-UHFFFAOYSA-N	613.114	2.805	0	40	KFAB	
COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C4\C(=O)Nc5ccc(C)cc54)c(=O)n32)cc1	409109278	AVGWVMMRVOBXQM-RKKARLDVSA-N	503.580	2.826	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)N4CCOCC4)cc3)c(=O)n2[C@@H]1c1cc(Br)ccc1OC	409157445	VQGVNRNDGWIKBM-KLKBWYFJSA-N	656.555	2.807	0	40	KFAB	
O=C1CN(Cc2ccccc2)Cc2ccc(C(=O)NCCS(=O)(=O)N3CCCCC3)cc2OCCCCCN1	643573319	SPGFWCRAPNXNRP-UHFFFAOYSA-N	556.729	2.913	0	40	KFAB	
Cc1nn(C)c(C)c1NC(=O)CN1CC[C@@H]2NC(=O)[C@@H](Cc3ccccc3)NC(=O)C3(CC=CC[C@@H]2C1)CCOCC3	1615129930	XTWTXXGLGRIAOO-KWXIBIRDSA-N	576.742	2.656	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)Nc1c(F)c(F)c(F)c(F)c1F	3270202	ZMAGHGWVHZSYIA-UHFFFAOYSA-N	508.421	2.507	0	40	KFAB	
O=C(CN(Cc1ccc(F)cc1)C(=O)CN1C(=O)C(=O)c2ccccc21)Nc1ccc(N2CCOCC2)cc1	3771353	KCSWQFILZHFEHP-UHFFFAOYSA-N	530.556	2.859	0	40	KFAB	
CC(=O)NCCNC(=O)C[C@@H]1c2nc(NC(=O)C3CCCCC3)sc2C[C@H]2[C@@]1(C)CC[C@@H](O)[C@@]2(C)CO	4222306	RFTJZQMQWMNCPF-BWSFKYGTSA-N	534.723	2.720	0	40	KFAB	biogenic,in-vitro
COc1cc([C@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(O)c2)ccc1O	6906758	DAKXZAQESKEKDU-OAQYLSRUSA-N	525.587	2.691	0	40	KFAB	
Cc1cc(NC(=O)C(=O)NCCN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)ccc1Br	8451911	DLQDNFJTKRFSBR-UHFFFAOYSA-N	559.486	2.972	0	40	KFAB	
COC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)sc2cc(C)ccc21	9726395	WTWBHQCIEMOZEF-CGZGMLGNSA-N	517.629	2.723	0	40	KFAB	
Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccc(O)cc1	12473896	SKEYFTWNKYGHNU-DYESRHJHSA-N	509.588	2.522	0	40	KFAB	
O=C(CNc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@@H]1CCCO1)Nc1ccc(F)c(F)c1	12521677	VEIPFOXKDZCTSO-KRWDZBQOSA-N	510.563	2.627	0	40	KFAB	
COCCn1nnnc1[C@@H](c1cc2cc(OC)ccc2[nH]c1=O)N1CCN(c2cc(C)ccc2C)CC1	19973260	GDOGLIOZZIJENX-RUZDIDTESA-N	503.607	2.698	0	40	KFAB	
COc1ccc(-n2ncc3c(SCC(=O)Nc4ccc(S(=O)(=O)N5CCOCC5)cc4)ncnc32)cc1	100346592	DRAIYGHINXCIAU-UHFFFAOYSA-N	540.627	2.576	0	40	KFAB	
Cc1ccc(NC(=O)CSCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)cc1	103048651	OBFGNSFOKVCYQI-UHFFFAOYSA-N	532.688	2.927	0	40	KFAB	
CSC[C@@H](NC(=O)[C@H](CSC)NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)OC(C)(C)CC3)C(=O)O	103509679	NIBQZUNVWYMGNB-ZWKOTPCHSA-N	536.672	2.528	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(=O)c(-c4cscn4)c(C)oc3c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	103664781	QLPBVUOEXHYSIY-YPRXRRBRSA-N	589.575	2.687	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	222976957	RVBJHWJCQYQFSJ-LJQANCHMSA-N	503.621	2.557	0	40	KFAB	
Cc1ccc(C)c(N(CC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)S(=O)(=O)c2ccccc2)c1	224202206	ZUZPKZKUTZCRGJ-UHFFFAOYSA-N	545.683	2.944	0	40	KFAB	
CCOc1ccc(N([C@@H](CC)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)cc1	224334230	VXSOZMISQCRSDP-DEOSSOPVSA-N	553.703	2.610	0	40	KFAB	
Cc1cc(Br)ccc1NC(=O)COc1ccc(N2C[C@H](C(=O)NCCCN3CCOCC3)CC2=O)cc1	408577712	JAWYWUXVTDYYDK-HXUWFJFHSA-N	573.488	2.966	0	40	KFAB	
COc1ccc(CN2CCN(C(C)=O)C[C@@](O)(COc3ccc(C)cc3)C2)cc1OCCn1cccn1	585271548	IKHZHEPOCDMUBQ-MUUNZHRXSA-N	508.619	2.753	0	40	KFAB	
CN1CCN(C(=O)/C(=C/c2ccc(SC(=S)N3CCOCC3)o2)NC(=O)c2ccccc2)CC1	13575036	STQMFLFHOHDFDZ-JZJYNLBNSA-N	500.646	2.534	0	40	KFAB	
Cc1ccnc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(N4CCCC4=O)c(C)c3)cc2)n1	19931589	OODNQBSULPIEOX-UHFFFAOYSA-N	501.590	2.822	0	40	KFAB	
CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCOC)N3CCN(c4ccccc4F)CC3)cc2c1	19973336	OEVVKPFTQOLMRK-DEOSSOPVSA-N	507.570	2.610	0	40	KFAB	
O=C(C[S@](=O)CC(=O)N(CC(=O)NC1CCCC1)Cc1ccccc1Cl)Nc1ccc2c(c1)OCO2	100293883	LLHJRGUOLZUYLX-PSXMRANNSA-N	534.034	2.844	0	40	KFAB	
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1	103008293	WUIJCDPCDSCIPI-UHFFFAOYSA-N	547.674	2.913	0	40	KFAB	
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)cc2)n1	140374835	MCKXCLUITYYZMJ-UHFFFAOYSA-N	552.034	2.512	0	40	KFAB	
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1S(=O)(=O)N1CCCC1	216245817	CRKOSEHJDMATDY-UHFFFAOYSA-N	501.590	2.623	0	40	KFAB	
CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O	223210910	OUZQBPBISVPGBS-IBGZPJMESA-N	514.417	2.908	0	40	KFAB	
COc1ccc(N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c(OC)c1	260902521	OXZAHQFREUGRHM-LJQANCHMSA-N	505.637	2.659	0	40	KFAB	
Cc1cc(Br)ccc1NC(=O)COc1ccc(N2C[C@@H](C(=O)NC[C@H](C)O)CC2=O)cc1	408575758	FSKMMSIRHRRJJO-HOTGVXAUSA-N	504.381	2.625	0	40	KFAB	
COc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc(I)c1OCc1ccccc1	408589075	DPCKUBMPCHTKPJ-OVCLIPMQSA-N	508.268	2.856	0	40	KFAB	
O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1	408679473	LVGIENLZHVAKCS-OAQYLSRUSA-N	503.596	2.915	0	40	KFAB	
CSc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C(=O)N1CCCCC1	408714546	BVFYZKMYUAEKMA-UHFFFAOYSA-N	539.701	2.856	0	40	KFAB	
CCOC(=O)COc1cccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(F)cc2)C(C(=O)OCC)=C(C)N=3)c1	408804259	DXCPNTNSEXAQPN-OBVMJLIASA-N	524.570	2.879	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(N4CCOCC4)o3)c(=O)n2[C@H]1c1ccccc1	408862767	LXAMRKPAFLRNGJ-CURYZJDOSA-N	558.454	2.990	0	40	KFAB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OC)cc4OC)c(=O)n32)cc1OCC	408939795	UJTTVYCZAANZJS-XKKBFUJGSA-N	524.595	2.833	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccc(Br)cc43)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	409118633	OTVKVJHKFRKMLD-SADKCHQCSA-N	584.448	2.900	0	40	KFAB	
COC(=O)c1cccc(NC(=O)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)O)c1	409387188	OEYYLTPWAQDSAP-SXOMAYOGSA-N	667.576	2.815	0	40	KFAB	
CS(=O)(=O)c1ccc(CN2C[C@@H]3C[C@H]2C(=O)NC[C@H]2O[C@H](CCOc4cc(C5CCCC5)ccc4C(=O)N3)CC[C@@H]2O)cc1	514287597	PHYPYSDBHMSRCC-VIWJNQTASA-N	625.788	2.928	0	40	KFAB	
O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4cc(-c5ccccc5)ccc41)CC[C@@H]3O)N(C1CCC1)C2	514287690	YPNXCWIKDZHKHK-QIXRUXETSA-N	519.642	2.886	0	40	KFAB	
Cc1c(CCC(=O)N(C)CCCC[C@H]2C(=O)N(C)CCCCc3ccccc3OCC(=O)N2C)cnn1C	643559928	UBJPRSIXTISKIV-VWLOTQADSA-N	525.694	2.991	0	40	KFAB	
CC(C)[C@H]1NC(=O)CC[C@@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)NC(=O)c2ccccc2OC[C@H](C)NC(=O)CCCCNC1=O	643568607	AMPDSCYLGISLCT-YOPOIKKUSA-N	695.833	2.893	0	40	KFAB	
CC(C)CNC(=O)[C@@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCCCCOc2ccccc2C(=O)N1	1615162016	YYWONORAMGKLAX-DQEYMECFSA-N	536.673	2.744	0	40	KFAB	
COc1ccc(CN(CC(=O)Nc2ccccc2)S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1	1333352	ORXSAVVBUBJEIU-UHFFFAOYSA-N	517.629	2.775	0	40	KFAB	
CC(=O)Nc1ccc2c(c1)OCCOCCOc1cc(NC(C)=O)ccc1OCCOCCOCCO2	6073843	CHFRNURSEOVCDF-UHFFFAOYSA-N	518.563	2.882	0	40	KFAB	
COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O	8774528	YKIWOGRTYNAFIO-QFIPXVFZSA-N	507.568	2.792	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C(=O)Nc3ccc4c(c3)OCO4)C(C)C)CC2)cc1	9190934	AGPKYOGJQWBUMN-QHCPKHFHSA-N	501.605	2.904	0	40	KFAB	
O=S(=O)(NC[C@@H]1CCCO1)c1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1	12876957	DIGPSOHIXOGXTI-SFHVURJKSA-N	504.634	2.589	0	40	KFAB	
CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](CC)(c3ccc(OC)cc3)C2=O)cc1	14111436	SHLKPBNKHZLCTB-DEOSSOPVSA-N	502.593	2.522	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1	20032094	OHBTYPFKUOUNLQ-UHFFFAOYSA-N	515.657	2.807	0	40	KFAB	
Cc1ccc(CN2C[C@H](C(=O)N(CC(C)C)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)CC2=O)cc1	32985907	ATUFORLPNGAAHV-JOCHJYFZSA-N	503.603	2.513	0	40	KFAB	
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)c3ccc(COc4ccc(F)cc4Cl)o3)[C@H]2SC1	101571585	AJRKVOGOICUTKC-LAUBAEHRSA-N	524.910	2.566	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc2nnn(OCC(=O)N3N=C(c4ccc(Cl)cc4)C[C@H]3c3ccco3)c2c1	103052218	YZGRGHBDSZIAAB-NRFANRHFSA-N	528.978	2.735	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	223756615	ADZPIFWKZCZYQW-QGZVFWFLSA-N	524.039	2.821	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1ccc(Br)cc1)[C@@H](C)C(=O)NC)c1ccc2c(c1)OCCO2	225488213	LTBXCCHTZDWFSH-INIZCTEOSA-N	554.463	2.540	0	40	KFAB	
COC(=O)[C@H]1CN(C(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c2ccccc2O1	226012465	IEVZREGNQLMPGW-RUZDIDTESA-N	556.593	2.875	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C)c4ccc(Br)cc43)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	409113591	DSRJIPHRTLNFLT-SADKCHQCSA-N	582.432	2.636	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C)c4ccc(Br)cc43)c(=O)n2[C@@H]1c1cccc(OC)c1	409122200	YOQJHAXXKBWTQT-SADKCHQCSA-N	568.449	2.916	0	40	KFAB	
COc1ccc(CN(C(=O)c2ccc(S(=O)(=O)c3ccccc3)o2)[C@@H]2CCS(=O)(=O)C2)cc1OC	526052248	JTBXEZRDLFXRHI-GOSISDBHSA-N	519.597	2.959	0	40	KFAB	
Cc1cc(OC[C@]2(CC(=O)N3CCN(C)CC3)CN(C(=O)C[C@H]3CCCCO3)CCO2)ccc1Cl	585286887	RZOKXLUPRLUORY-RLWLMLJZSA-N	508.059	2.748	0	40	KFAB	
CC(C)[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCCCN2CCCC2)CCC(=O)NC2(CCCCC2)C(=O)N1	643579382	VYQTYZYDWQWAOI-IZZNHLLZSA-N	583.774	2.910	0	40	KFAB	
COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(=O)nc[nH]c43)[C@@H](O)[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1	6239725	PQXVLEMIGAJLIN-GRDZGFKTSA-N	570.602	2.765	0	40	KFAB	
COc1ccccc1C[C@H](NC(C)=O)C(=O)NC1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1	13565688	HOTVEONXACVYQA-VWLOTQADSA-N	509.628	2.865	0	40	KFAB	
COc1ccc([C@H](C(=O)NCCC(C)C)N(CCN2CCOCC2)C(=O)Cn2nnc3ccccc32)c(OC)c1	17433852	FMQGLNCGUHFBQH-MUUNZHRXSA-N	552.676	2.513	0	40	KFAB	
COc1cccc(NC(=O)Cn2c(=O)n(CCC(=O)NC3CCN(Cc4ccccc4)CC3)c(=O)c3ccccc32)c1	17434265	HPLVXXUHKXFWSA-UHFFFAOYSA-N	569.662	2.981	0	40	KFAB	
COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(Cc4ccccc4)CC3)cc2c1	19940674	RYELDCLHVGZFJQ-JYFHCDHNSA-N	515.618	2.609	0	40	KFAB	
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O	70706971	LDWWVEAXQMIFLL-MPPVSAIVSA-N	570.646	2.817	0	40	KFAB	biogenic
Cc1ccc([C@H](C(=O)NC(C)(C)C)N(CCN2CCOCC2)C(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1	100286880	VAFDPNQWOBLUKL-RUZDIDTESA-N	537.640	2.604	0	40	KFAB	
COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(F)c2)cc1OC	100309835	RPVVSUSUTZWMGW-JTSKRJEESA-N	557.604	2.664	0	40	KFAB	
CCCOc1ccc(N2C(=O)C[C@H](N3CCN([C@@H]4CC(=O)N(c5ccc(OCCC)cc5)C4=O)CC3)C2=O)cc1	100531626	JIYYMYJDVOTERW-WMPKNSHKSA-N	548.640	2.846	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5F)sc4n3)CC2)cc1	102350171	QAYPNPNBCGGGAC-UHFFFAOYSA-N	529.619	2.862	0	40	KFAB	
O=C(C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1)N1CCN(S(=O)(=O)c2ccccc2)CC1	139738404	OXUOSOLMXQSAGZ-UHFFFAOYSA-N	570.531	2.524	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C	222712360	WSHDCNDVXNQGTE-OAHLLOKOSA-N	501.436	2.770	0	40	KFAB	
CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	222830754	XPUOVSLKHBQHPT-QFIPXVFZSA-N	533.647	2.564	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O	222845001	JZGDHIVDZPVKKD-AWEZNQCLSA-N	502.420	2.931	0	40	KFAB	
CC(C)(O)[C@@H](O)CC[C@@H](CO)[C@H]1CC[C@@]2(C)C3=C(C[C@H](O)[C@]12C)[C@@]1(C)C[C@@H](O)[C@@H](OC(=O)C[C@@](C)(O)CC(=O)NCC(=O)O)C(C)(C)[C@H]1CC3	253529963	IOMBMOCSWVAYQU-ACJORYOISA-N	709.918	2.842	0	40	KFAB	endogenous,in-man
COc1ccccc1C(=O)NN1C[C@@H](C(=O)OCC(=O)Nc2cc(C)c(Br)cc2C)CC1=O	408660005	UHWHPBZUTSWHRF-HNNXBMFYSA-N	518.364	2.750	0	40	KFAB	
CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(I)c1OCC(=O)O	409203448	WJPMPFKDDBNKHI-LZYBPNLTSA-N	583.310	2.824	0	40	KFAB	
CC(C)C[C@H]1C(=O)N(C)CC(=O)N[C@H](Cc2ccccc2)COc2ccccc2C(=O)N[C@H](C(=O)NCCc2ccc3c(c2)OCCO3)CC(=O)N1C	643574719	LWEMUVLZMOQYAC-GHPAMLPFSA-N	727.859	2.757	0	40	KFAB	
CC1(C)NC(=O)C[C@@H](C(=O)NCCOc2ccc(Cl)cc2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC1=O	643576618	WTBSNQPVRGLGJR-NSOVKSMOSA-N	678.186	2.545	0	40	KFAB	
CC(C)[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCN2CCCCC2)CCC(=O)NC2(CCCCC2)C(=O)N1	643579447	ZLBNCXXPAJQPHS-LOSJGSFVSA-N	569.747	2.520	0	40	KFAB	
Cn1cc(-c2ccc3c(c2)OCCC2(CCN(Cc4ccccc4Cl)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2S3(=O)=O)cn1	1548889909	LSUKWHFHVOVWQI-NOZRDPDXSA-N	600.141	2.798	0	40	KFAB	
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O	15327414	BTWZTRBNLFITHB-MHZLTWQESA-N	526.590	2.735	0	40	KFAB	
CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O	20452174	RRIKTZHWBHMCNK-IBGZPJMESA-N	507.569	2.600	0	40	KFAB	
COCCCNC(=O)CSC1=Nc2ccccc2C2=N[C@H](CCC(=O)NCc3ccccc3)C(=O)N12	20642810	MZSHONGTBUHSII-OAQYLSRUSA-N	507.616	2.628	0	40	KFAB	
COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1C(=O)NC(C)C	30872743	JQHQYKGIXJJIHC-UHFFFAOYSA-N	504.590	2.830	0	40	KFAB	
C[C@H](NC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)c1ccc(S(C)(=O)=O)cc1	59987424	BNMHGUWFPHFUBV-SFHVURJKSA-N	530.624	2.934	0	40	KFAB	
COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@@H](CC(N)=O)N[C@]12C(=O)Nc1ccc(Br)cc12	64164097	QXHHTWPQPJNDRS-UPBLURMWSA-N	507.772	2.751	0	40	KFAB	
CC(=O)OC[C@H]1O[C@@H](Oc2cc(OC(C)=O)c3c(=O)cc(-c4ccc(OC(C)=O)c(OC(C)=O)c4)oc3c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	85888760	JDAPIOVVXOAJOM-VSSHJLDSSA-N	742.639	2.698	0	40	KFAB	biogenic
COc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c(OC)c1	222640995	WZROHFFAHRNJGN-SFHVURJKSA-N	505.637	2.802	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O	225481326	HGNMEFXLCBOUPX-QGZVFWFLSA-N	510.454	2.995	0	40	KFAB	
O=C(N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(C4CCC(F)(F)CC4)C[C@H]3C(=O)NC[C@H]1O2)C1CCOCC1	253396178	DGNJAOUQEXJDPZ-JGDRUYDSSA-N	618.722	2.749	0	40	KFAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(=O)OC)cc3)c(=O)n2[C@@H]1c1ccccc1OC	409099311	QBWGOJQULWXPIR-GOOXQAOHSA-N	519.623	2.899	0	40	KFAB	
CCCC1=C(C(=O)OCC)[C@@H](c2ccc3c(c2)OCO3)n2c(s/c(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)c2=O)=N1	409154677	POJRNRLTOWDRHZ-YIECNSLDSA-N	619.696	2.545	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3/C(=O)N(C(C)C)c4ccccc43)c(=O)n2[C@H]1c1ccc(OC)cc1	409162358	UTNYLRHYYFHZDK-AYWGPLOBSA-N	517.607	2.932	0	40	KFAB	
COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(I)c(O)c(OC)c2)C1=O	409254538	XQCKIYPRMINYEU-RIYZIHGNSA-N	523.283	2.545	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OCCCN3CCCCC3=O)cc2)C[C@@](O)(COc2ccc(F)c(F)c2)C1	585281435	ZVVSSHLESSCFAQ-PMERELPUSA-N	575.653	2.847	0	40	KFAB	
CCOc1cc(CN2CCC(N=c3nc[nH]c4sc(C(=O)N5CCCC5)c(C)c34)CC2)ccc1OCC(N)=O	585294405	QSEUSQJRNFGDNG-UHFFFAOYSA-N	552.701	2.997	0	40	KFAB	
CCCNC(=O)N1CCC2(CCOc3cc(-c4ccc(F)cc4F)ccc3S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)N2)CC1	1548890376	OSLRFVLLDKVXBD-OFNKIYASSA-N	592.665	2.609	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1	2671761	KWMZCGYMWGACSZ-VVNKCDPRSA-N	582.631	2.758	0	40	KFAB	
CCOC(=O)CN(C(=O)Cn1nnc(-c2ccc(C)cc2)n1)[C@H](C(=O)NC1CCCC1)c1ccc(O)cc1	6546238	WZDVWANXNCFRSQ-VWLOTQADSA-N	520.590	2.546	0	40	KFAB	
CC[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O	13716395	RONJQSRKVCUUDS-JOCHJYFZSA-N	509.650	2.508	0	40	KFAB	
CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2c1	22866454	QSHWORJVSDGIQP-LXFBAYGMSA-N	557.655	2.892	0	40	KFAB	
CCN(C(=O)COC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1	97979555	SCEJLGHNSXTNTG-BDTMADQZSA-N	551.621	2.903	0	40	KFAB	
COc1cc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccccc2F)ccc1-n1cnnn1	100337621	KXJZVYOELANYMP-PIIWDFAUSA-N	585.600	2.624	0	40	KFAB	
CCN1C[C@]2(COC)CC[C@@H](OC)[C@@]34[C@H]2[C@@H](OC)[C@@H]([C@@H]13)[C@@]1(OC(C)=O)C[C@H](OC)[C@@]2(O)C[C@@H]4[C@@H]1[C@H]2OC(=O)c1ccc(OC)cc1	104062006	GAZDXIGXYWVWQX-LRGXXXALSA-N	643.774	2.715	0	40	KFAB	
COc1ccc(CCNC(=O)[C@H](Cc2ccccc2)N(Cc2ccc(OC)cc2)C(=O)CN(C)S(C)(=O)=O)cc1	223256042	BZKHJKJZZZFFJL-NDEPHWFRSA-N	567.708	2.894	0	40	KFAB	
COc1ccc(S(=O)(=O)N2C[C@H](C(=O)NC[C@H]3COc4ccccc4O3)Oc3ccc(C)cc32)cc1	260895098	GULQAUJXZHUMIW-UQBPGWFLSA-N	510.568	2.916	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(SC)cc1	408984780	MTNHROGXTDVYLA-QYAMMSNYSA-N	554.646	2.992	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCCC4)cc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	409173547	JPWKMCGUVGLWQK-RNECYNAXSA-N	575.643	2.528	0	40	KFAB	
CN(CCC[C@H]1C(=O)N(C)CCCCC2(CCN(C(=O)OC(C)(C)C)CC2)COCC(=O)N1C)C(=O)Cn1cccn1	643560335	LHZDYZUIUWUTDZ-DEOSSOPVSA-N	590.766	2.625	0	40	KFAB	
CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(OC)nc(OC)n3)cc2)cc1	1738634	YRUOHLSLCKVUOY-UHFFFAOYSA-N	549.631	2.577	0	40	KFAB	
N[C@H](CCC(=O)N[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(F)cc1)C(=O)NCC(=O)O)C(=O)O	5082435	AQDIITWOJJRZMU-DNQXCXABSA-N	567.639	2.729	0	40	KFAB	
CC(C)CCNC(=O)[C@H](c1ccncc1)N(C[C@@H]1CCCO1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1	6076963	IOTOPIJDMFYUKE-UPVQGACJSA-N	509.586	2.785	0	40	KFAB	
CN(C(=O)COC(=O)c1ccccc1SCC(=O)NC1CCCCCCC1)[C@H]1CCS(=O)(=O)C1	8685460	BKADMGIUUPUXTE-IBGZPJMESA-N	510.678	2.810	0	40	KFAB	
CCOC(=O)c1cc(NC(=O)COC(=O)C[C@H](NC(N)=O)c2ccc(Cl)cc2)cc(C(=O)OCC)c1	12528825	YGMFYJSUNCJTOA-IBGZPJMESA-N	519.938	2.975	0	40	KFAB	
CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1OC	20033292	LLBVNPRVYRUERA-UHFFFAOYSA-N	523.677	2.830	0	40	KFAB	
O=C(Cc1ccccc1)N[C@@H]1C(=O)N2[C@H]1SC[C@@H](O)[C@@H]2C(=O)OC(c1ccccc1)c1ccccc1	35565246	JSNDVKXNQUBARH-GZJGYMOFSA-N	502.592	2.691	0	40	KFAB	
Cn1cc(C(=O)N2CCC(N3CCCCC3)CC2)c(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)n1	67337143	VHERDLUZZCPLSR-UHFFFAOYSA-N	535.114	2.675	0	40	KFAB	
COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	106186081	PORSHAGMTBURSL-UHFFFAOYSA-N	559.666	2.859	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(CC(=O)N4CCOCC4)c4ccccc34)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	409165670	AVQQYUXXAVUNHN-CCLVUABDSA-N	630.723	2.629	0	40	KFAB	
COc1cccc(CCCNC(=O)[C@@H]2CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N3CCC[C@@H]3COc3ccccc3C(=O)N2)c1	643565893	MJSCEVCINAHSLA-CPESWEKQSA-N	628.726	2.749	0	40	KFAB	
CN1CCC(N2CC(=O)N3CC[C@@H](CC(=O)NCCN4CCCC4)[C@@H](C=CCOc4ccccc4C2)C3)CC1	958317735	IQTHHEZIYBECAZ-UIOOFZCWSA-N	537.749	2.598	0	40	KFAB	
Cc1c(NS(=O)(=O)c2cccc(C(=O)NCc3ccc4c(c3)OCO4)c2)c(=O)n(-c2ccccc2)n1C	3215356	HFWXJUOZWYZMNZ-UHFFFAOYSA-N	520.567	2.944	0	40	KFAB	
Cc1ccc(-n2c(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)nc3sc4c(c3c2=O)CCCC4)c(C)c1	3341426	HANPYRWUTVPDEG-UHFFFAOYSA-N	537.667	2.897	0	40	KFAB	
COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCCC(C)C)c2ccncc2)cc1OC	6076969	NEEMYVVTEIMEJS-NRFANRHFSA-N	526.619	2.787	0	40	KFAB	
O=C(CN(Cc1ccco1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccccc1	13496961	JPGHKLNBEXKVST-UHFFFAOYSA-N	503.602	2.894	0	40	KFAB	
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3ccc(F)cc3)S(C)(=O)=O)cc2)n1	20485721	QSKCQLIVEVOSSA-MRXNPFEDSA-N	521.596	2.827	0	40	KFAB	
CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1	22248908	XSKLENQBVQKPSK-UHFFFAOYSA-N	524.039	2.822	0	40	KFAB	
CN1CCN(CCCNC(=O)CN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)S(C)(=O)=O)CC1	22933833	UTIWPWUFEUTOCV-UHFFFAOYSA-N	502.725	2.674	0	40	KFAB	
Cc1ccn2c(=O)c(Cc3nnc(SCC(=O)N[C@H](C)c4nc5ccccc5[nH]4)n3C)c(C)nc2c1	41078201	YVFVTVDZUOZAPG-MRXNPFEDSA-N	502.604	2.876	0	40	KFAB	
COc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)S(C)(=O)=O	59924742	LXJJEKVZYRXCKH-AWEZNQCLSA-N	540.023	2.733	0	40	KFAB	
C[C@H](C(=O)NC[C@H]1CCCO1)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1	222890233	QUHPUKUXRYGOES-NTKDMRAZSA-N	531.650	2.912	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O	223002244	BBHUGDLTVIDTTJ-INIZCTEOSA-N	526.453	2.777	0	40	KFAB	
CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223055074	PHKLEUOAEUULGY-JOCHJYFZSA-N	517.648	2.866	0	40	KFAB	
COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCc1cc(S(=O)(=O)N2CCCC2)ccc1OC	224558426	GPVZZUGTJDXZEN-UHFFFAOYSA-N	506.577	2.855	0	40	KFAB	
COc1ccc(CN2CC[C@H](O)[C@@](O)(COc3cc(F)c(F)c(F)c3)C2)cc1OCCn1ccnc1	2037949761	UEOCVTGFPSXFHI-ZCYQVOJMSA-N	507.509	2.765	0	40	KFAB	
Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3Cc3ccco3)N3CCN(C(=O)c4ccco4)CC3)cc2c1	1362047	PLSUSDXLULYWNY-XMMPIXPASA-N	513.558	2.913	0	40	KFAB	
CCOC(=O)CNC(=O)CN(C(=O)[C@@H](C)Sc1nnc(-c2ccccc2)n1C)c1ccc(OC)cc1	6546510	INWWBLNRTIXXBI-QGZVFWFLSA-N	511.604	2.684	0	40	KFAB	
COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2)cc1	12711405	SCBSEJYVDIKSJJ-SIKLNZKXSA-N	523.615	2.825	0	40	KFAB	
COc1ccc(OC)c(C[C@@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)c1	100468886	KMWXZVNWGRSGRR-JOCHJYFZSA-N	557.591	2.739	0	40	KFAB	
C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@H](C)C4)cc3)cc2)C[C@@H](C)O1	150440026	TVDLVOSWDQNDNZ-IAFDGEETSA-N	819.981	2.808	0	40	KFAB	
CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O	222840585	NFTFQBQDDAPBAR-QFIPXVFZSA-N	515.632	2.952	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	223455233	GBJKPEPKJUEVAO-IBGZPJMESA-N	533.647	2.914	0	40	KFAB	
Cc1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1S(=O)(=O)N1CCCC1	224380697	FLSMGLNVUOETOP-UHFFFAOYSA-N	535.688	2.763	0	40	KFAB	
CCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OCC)cc1)S(C)(=O)=O	224530275	WNFBTBLKWAHKQE-QHCPKHFHSA-N	505.637	2.803	0	40	KFAB	
CCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O	224531363	NJBJNKYPNKVHKT-NRFANRHFSA-N	505.637	2.722	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	225399997	IAKCJJYZHWFBNU-QZTJIDSGSA-N	519.620	2.522	0	40	KFAB	
COC(=O)COc1ccc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc1I	409095671	DFCCQIGVFKEPQV-VGOFMYFVSA-N	519.313	2.831	0	40	KFAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(O)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	409107460	QBPHOARZDJGOCK-AQIZGWBQSA-N	537.638	2.835	0	40	KFAB	
CO[C@@H]1[C@@H](OC(=N)O)[C@H](O)[C@H](Oc2ccc3c(c2C)OC(=O)[C@@H](NC(=O)c2ccc(O)c(CC=C(C)C)c2)C3=O)OC1(C)C	575623581	NCRNFXDIIHROHW-GGTYDECBSA-N	612.632	2.877	0	40	KFAB	in-vitro
COCC(=O)N1CCN(Cc2ccc(OC)c(OCCn3cc(C)cn3)c2)C[C@@](O)(COc2ccc(F)c(F)c2)C1	585273895	FRENVISOISBEEL-LJAQVGFWSA-N	574.625	2.658	0	40	KFAB	
C[C@@H](OC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1)C(=O)N[C@H]1CCCC[C@H]1C	12978231	VWTOETCPMQEPDG-RKVPGOIHSA-N	517.442	2.710	0	40	KFAB	
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(CS(=O)(=O)N4CCCC4)cc3)cc2)n1	30848927	CKNBJRSMOXMMHI-UHFFFAOYSA-N	515.617	2.764	0	40	KFAB	
Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)S(C)(=O)=O)cc1	44847065	SJZPYBRRLOSUJA-SFHVURJKSA-N	517.633	2.996	0	40	KFAB	
COc1ccc(OC)c(NC(=O)Cn2c3cc(=O)n(CCN4CCOCC4)c(C)c3c(=O)n2-c2nc3ccccc3s2)c1	97948801	XBYQAIQEKFDQBS-UHFFFAOYSA-N	604.689	2.860	0	40	KFAB	
COC(=O)[C@@]1(c2ccccc2)N[C@@H](c2ccc(OC)cc2OC)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21	100422162	VCVXVWDIPVACJE-OKUYAMHMSA-N	544.560	2.994	0	40	KFAB	
Cc1cccc(-n2c(SCC(=O)Nc3cccc(S(N)(=O)=O)c3)nnc2-c2cccc(S(=O)(=O)N(C)C)c2)c1	103104630	MKDLNHVTEIPROD-UHFFFAOYSA-N	586.721	2.871	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)CC2)cc1C	222580923	MHKJRPUEMBZERD-UHFFFAOYSA-N	523.677	2.992	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc2F)cc1	224439871	YPZFZHWMIGJDIL-UHFFFAOYSA-N	591.683	2.546	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	225237703	JMIYVPSVEPUIPZ-ZWKOTPCHSA-N	510.607	2.910	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	225561629	ICFLFUWPLDFYGK-QHCPKHFHSA-N	505.596	2.526	0	40	KFAB	
CN1CCN(C(=O)C[C@@]2(COc3ccc(Cl)cc3)CN(Cc3cnc(N4CCCCC4)nc3)CCO2)CC1	257330335	XNXUMYMNOMIQRS-NDEPHWFRSA-N	543.112	2.934	0	40	KFAB	
COC(=O)[C@H]1CN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3OC)C2)c2ccccc2O1	260751992	WRTVEMBAPHTZIZ-MGPUTAFESA-N	508.980	2.717	0	40	KFAB	
COc1ccc(CCCNC(=O)[C@@H]2CC(=O)NC(C)(C)CC(=O)N[C@@H](Cc3ccccc3)C(=O)NCCCOc3ccccc3C(=O)N2)cc1OC	643576645	ZCJOSWXTPUITLR-KYJUHHDHSA-N	715.848	2.852	0	40	KFAB	
COc1cccc(N2CCN(C(=O)CCCn3c(=O)[nH]c4ccc(Br)cc4c3=O)CC2)c1	4766569	GWBNBYXVVMEELU-UHFFFAOYSA-N	501.381	2.590	0	40	KFAB	
CC(C)(C)NC(=O)[C@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCCO2	6074982	ZINASMVATXJYAC-FQEVSTJZSA-N	525.587	2.604	0	40	KFAB	
COCCn1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCC(Cc2ccccc2)CC1	6239123	MDZRBEWVROUPPA-RUZDIDTESA-N	502.575	2.934	0	40	KFAB	
CCc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(O)cc2)cc1	6822025	GCLMJGHUKMISHS-KNQAVFIVSA-N	523.615	2.776	0	40	KFAB	
COCCN(CC(=O)Nc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1	13496938	OTDQZZNUJMYEGO-UHFFFAOYSA-N	523.677	2.916	0	40	KFAB	
Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)c1	15940455	DXOTUIXQXYCBOJ-UHFFFAOYSA-N	514.648	2.635	0	40	KFAB	
COc1ccccc1N1CCN([C@@H](c2cc3ccc(C)cc3[nH]c2=O)c2nnnn2C[C@@H]2CCCO2)CC1	19940599	AWCTZHRCAKAFSY-LVXARBLLSA-N	515.618	2.922	0	40	KFAB	
COc1ccc(S(=O)(=O)NC[C@@H]2C=C(C)[C@H](CC(=O)N3CCN(C(C)=O)CC3)C[C@H]2C(C)C)cc1	30879819	LBZZKLGPSJQLSB-HWBMXIPRSA-N	505.681	2.909	0	40	KFAB	biogenic,in-vitro
CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)C2)cc1C	59838779	XLOPWVUYNOTIEH-QFIPXVFZSA-N	549.715	2.895	0	40	KFAB	
CCCN(CC(=O)Nc1ccccc1C)C(=O)COC(=O)c1cccnc1S(=O)(=O)C(F)(F)F	62566486	VZQBATKNOMOQQV-UHFFFAOYSA-N	501.483	2.718	0	40	KFAB	
CCCN1C[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](C)[C@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@H]1C	95548762	VIAKGDSDKMGMGT-WNXQIHLLSA-N	777.050	2.681	0	40	KFAB	biogenic
CCCCC(=O)N[C@@]1(C(F)(F)F)NC(=O)N(c2ccc(N3C(=O)N[C@@](NC(=O)CCCC)(C(F)(F)F)C3=O)cc2)C1=O	98005173	CXPZNCLPOXWBFO-FGZHOGPDSA-N	608.496	2.929	0	40	KFAB	
CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O	223388359	GRNHRJPCPTYASP-FQEVSTJZSA-N	526.453	2.777	0	40	KFAB	
O=C(NCCN1CCOCC1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1	408579445	NLUWYOXNJBGZLM-KRWDZBQOSA-N	504.509	2.759	0	40	KFAB	
COc1cc(OC)cc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)c1	408654051	JHGKNDJCBCUOKM-CYBMUJFWSA-N	510.330	2.686	0	40	KFAB	
COC(=O)c1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1	408689137	RLDWTZCCBVSUIS-WBNGOHOVSA-N	504.539	2.597	0	40	KFAB	
Cc1ccc(C(=O)OCC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1S(=O)(=O)N1CCOCC1	3268439	HKUFKPKATNOJPZ-UHFFFAOYSA-N	508.421	2.507	0	40	KFAB	
COC(=O)c1cc(NC(=O)C[C@@H]2C(=O)N[C@@H]3CCCC[C@@H]3N2C(=O)c2ccc(F)cc2)cc(C(=O)OC)c1	9926936	WOVLFEMBJYTGKW-BHIFYINESA-N	525.533	2.680	0	40	KFAB	
Cc1ccc(NC(=O)CS[C@H](C)C(=O)OCC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1	12695426	MUNMWDZHTLMZIH-NQIIRXRSSA-N	504.630	2.819	0	40	KFAB	
COc1ccc(N(C(=O)Cn2nnc(-c3ccc(OC)c(OC)c3)n2)[C@H](C)C(=O)NC2CCCC2)cc1	12701640	PGNHHCKFYQWYKP-QGZVFWFLSA-N	508.579	2.846	0	40	KFAB	
CON(C)S(=O)(=O)c1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)ccc1Cl	13062633	CHEYLCIDERJSCV-OAHLLOKOSA-N	511.984	2.543	0	40	KFAB	
COC(=O)C1CCN(C(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)CC1	13675574	KDOWZLHNOWPQBH-UHFFFAOYSA-N	504.605	2.928	0	40	KFAB	
Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)cc(C(=O)OCC(=O)N[C@H]3CCS(=O)(=O)C3)c12	16044255	NRBSCOFWFRJVQU-IBGZPJMESA-N	504.568	2.856	0	40	KFAB	
CC(C)(C)c1ccc(CN(C(=O)c2nc(S(C)(=O)=O)ncc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1	16752728	SJSJZYWWHWDZIV-MRXNPFEDSA-N	500.042	2.661	0	40	KFAB	
COc1cc2cc([C@@H](c3nnnn3C(C)(C)C)N3CCN(Cc4ccncc4)CC3)c(=O)[nH]c2cc1OC	19366630	JKYMWXLMISNBGH-DEOSSOPVSA-N	518.622	2.589	0	40	KFAB	
COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O	20491770	RVKORIQIMBUYPC-AWEZNQCLSA-N	504.030	2.829	0	40	KFAB	
COC(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2)cc1	45358032	HRRNDHFMTPCCMO-UHFFFAOYSA-N	519.562	2.642	0	40	KFAB	in-vitro
O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1	59838688	KQIYKMWQJBNHMC-UHFFFAOYSA-N	557.694	2.578	0	40	KFAB	
COc1ccccc1C[C@@]1(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)C(=O)NC(=O)N(Cc2ccccc2)C1=O	70669803	HYQPARXNRKQMOW-VGNCIJBISA-N	540.620	2.784	0	40	KFAB	biogenic
COc1ccccc1N1CCN(C(=O)COC(=O)COc2ccc(I)cc2)CC1	72330985	SGCRJGKTVUROTN-UHFFFAOYSA-N	510.328	2.571	0	40	KFAB	
CC/C(=C(/c1ccc(OCCNC)cc1)c1cccc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c1)c1ccccc1	77287236	BSCUKTJLQVNCRL-QXBBUDDSSA-N	549.620	2.925	0	40	KFAB	in-vitro
COc1ccc(CN(C(=O)CN(c2ccccc2OC)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)cc1	223075691	WUCIXRNTAJXUNF-SFHVURJKSA-N	505.637	2.802	0	40	KFAB	
CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O	223210963	OUZQBPBISVPGBS-LJQANCHMSA-N	514.417	2.908	0	40	KFAB	
CC(C)NC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(C4Cc5ccccc5C4)C[C@H]3C(=O)NC[C@H]1O2	253403239	PPZCFKWNIULLQC-RKDXIHMYSA-N	589.737	2.503	0	40	KFAB	
CN1CCN(C(=O)C[C@]2(COc3ccc(Cl)cc3)CN(Cc3cnc(N4CCCCC4)nc3)CCO2)CC1	257330334	XNXUMYMNOMIQRS-MUUNZHRXSA-N	543.112	2.934	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C)cc1	260912062	RBFZFXRVOVYJDA-QGZVFWFLSA-N	511.591	2.929	0	40	KFAB	
Cc1cc(OC[C@@]2(CC(=O)N3CCC(O)CC3)CCCN(C(=O)CN3CCN(C)CC3)C2)cc(C)c1Cl	585288242	ZFOUXMSDANGZDX-MUUNZHRXSA-N	535.129	2.565	0	40	KFAB	
CC(=O)N1CCCN(C)CCN(C(=O)CCc2cc(C)nc([C@H]3CCCN(S(C)(=O)=O)C3)n2)Cc2ccccc21	643554755	ZEWXNRIBVDPYFN-VWLOTQADSA-N	570.760	2.574	0	40	KFAB	
CCCNC(=O)[C@@H]1CCC(=O)N[C@@H](CC(C)C)C(=O)NCCCCCCOc2ccccc2C(=O)N1	1615153057	AUJYZUZWTDGCJJ-VXKWHMMOSA-N	502.656	2.691	0	40	KFAB	
COc1cccc(NC(=O)N[C@H]2C[C@@H](C(=O)N[C@@H](CCCNC(=O)CC(C)(C)C)C(N)=O)N(C(=O)CC(C)(C)C)C2)c1	4200907	XMVBXPRYWFDVQQ-PMVMPFDFSA-N	588.750	2.525	0	40	KFAB	biogenic,in-vitro
CCOC(=O)c1ccccc1NC(=O)Cn1c(=O)n(CCCC(=O)NCc2ccc3c(c2)OCO3)c(=O)c2ccccc21	8593611	FUSJKLQAJZCQLL-UHFFFAOYSA-N	586.601	2.804	0	40	KFAB	
CCn1cc(C(=O)NCC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c(=O)c2cc3c(cc21)OCO3	9059814	UJJICJQCFDUXHW-UHFFFAOYSA-N	501.543	2.762	0	40	KFAB	
C[C@@H](C(=O)NC1CCCCC1)N(C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1	12710345	DJGRSENAYVJNIN-DVBGFMBJSA-N	513.616	2.973	0	40	KFAB	
COc1cc(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)cc(OC)c1OC	13097473	GHKYNTNNWQCTJY-UHFFFAOYSA-N	519.620	2.515	0	40	KFAB	
O=c1[nH]c(C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)nc2c1nnn2Cc1cccc(Cl)c1	18167610	YPWUBUIHELJZNP-UHFFFAOYSA-N	543.005	2.556	0	40	KFAB	
Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(N)(=O)=O)cc3)c(C)c2)cc1C	20032822	YFPBJELIXVOOAA-UHFFFAOYSA-N	517.629	2.755	0	40	KFAB	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)O[C@H](C)C(=O)NCc1ccc3c(c1)OCO3)n2C	103054950	QZOLUHOURBIPDS-QGZVFWFLSA-N	544.630	2.513	0	40	KFAB	
NCCCC[C@@H](N[C@H](CCc1ccccc1)C(=O)NCCCC[C@@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@@H]1C(=O)O)C(=O)N1CCC[C@@H]1C(=O)O	150338986	HLRMNXJOFRUYAM-ZEGBPACMSA-N	792.975	2.557	0	40	KFAB	in-vitro
CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	222673252	CNZHBRXPUPGYOO-CQSZACIVSA-N	519.426	2.909	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CC2)cc1	224232085	MGRJQZPJEXMAPJ-UHFFFAOYSA-N	578.540	2.981	0	40	KFAB	
CS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(C(F)(F)F)cc1	224407401	SLBANNXAPZEJGM-UHFFFAOYSA-N	563.620	2.841	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCc1ccc(CN2CCOCC2)cc1	224587578	DXQSKSJWLHIMDW-UHFFFAOYSA-N	501.649	2.561	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O	225484042	ZJUBFVVSZZRZLS-AWEZNQCLSA-N	500.390	2.518	0	40	KFAB	
CN1CCN(C(=O)C[C@]2(COc3ccc(F)cc3)CCCN(S(=O)(=O)c3ccccc3F)C2)CC1	257237670	HHOAPSCBKYJCFM-RUZDIDTESA-N	507.603	2.979	0	40	KFAB	
COc1ccc(OC)c(S(=O)(=O)N2CCC(COc3ccccc3)(CC(=O)N3CCN(C)CC3)CC2)c1	257302753	SEFAEFXEMHJSBC-UHFFFAOYSA-N	531.675	2.718	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(CCc1ccccc1)[C@H](C)C(=O)NC(C)C)c1ccc2c(c1)OCO2	260733660	KNXSGAZOZDYOSJ-LJQANCHMSA-N	503.621	2.556	0	40	KFAB	
O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)CN3C(=O)NC4(CCCCC4)C3=O)cc2)cc1	514298559	AICFKLLWKONEKV-UHFFFAOYSA-N	664.741	2.906	0	40	KFAB	
O=C(N[C@H]1CCS(=O)(=O)C1)c1cccc(NS(=O)(=O)c2cc(Br)ccc2Br)c1	575424942	WGTCMLBDDHWZNJ-AWEZNQCLSA-N	552.266	2.929	0	40	KFAB	
O=C(Cc1ccc(F)cc1)N1CCCCC2(CCN(Cc3ccncc3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1	643579026	PSKYKKVRIOMBRQ-IZZNHLLZSA-N	527.637	2.713	0	40	KFAB	
COc1cccc(NC(=O)N2CCC3(CCOc4cc(C(C)C)ccc4S(=O)(=O)N4C[C@H](O)C[C@H]4C(=O)N3)CC2)c1	1548889939	MMHAKELETUCFGY-VWNXMTODSA-N	586.711	2.908	0	40	KFAB	
CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1	2709303	YVMSHXGQLSGPFG-UHFFFAOYSA-N	503.606	2.869	0	40	KFAB	
COC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cn(Cc2ccccc2)cn1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](N)CC(C)C	4059834	CEFIKNVKGSMLOV-VIJSPRBVSA-N	598.789	2.567	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@H](Nc2ncc(-c3ccc(C)cc3)s2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	5808553	LXUJURWYKMGNEE-VFMKGFAKSA-N	520.560	2.614	0	40	KFAB	
CCOC(=O)CNC(=O)[C@@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(C)ccc1C	6546782	SBPZSZVOVHTBQF-JOCHJYFZSA-N	539.614	2.517	0	40	KFAB	
COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2OC)cc1	7059075	KHMMBGKDIHPPEQ-VGSWGCGISA-N	539.614	2.525	0	40	KFAB	
COc1ccc(NS(=O)(=O)c2cccc(C(=O)OCC(=O)NCc3ccc(OC)c(OC)c3)c2)cc1	12539063	DLNVRMMVIBPJEV-UHFFFAOYSA-N	514.556	2.986	0	40	KFAB	
C/C(=C\C(=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	19685777	MINDHVHHQZYEEK-WFNWDJMNSA-N	500.629	2.593	0	40	KFAB	in-vitro
CCOC(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(OCC)c(C)c2)CC1	22247431	SQGZEAYPYABAOG-QFIPXVFZSA-N	503.621	2.584	0	40	KFAB	
Cc1ccc(C)c(S(=O)(=O)NCCCN2CCN(CCCNS(=O)(=O)c3cc(C)ccc3C)CC2)c1	22585416	KBDFRUTZWIOBGP-UHFFFAOYSA-N	536.764	2.575	0	40	KFAB	
CCCCn1c(CCC(=O)OCc2cc(=O)n3cc(C)ccc3n2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	97982414	KWNIDVKZUCLLGL-UHFFFAOYSA-N	567.668	2.850	0	40	KFAB	
CCOC(=O)c1oc2cc(OC[C@@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)ccc2c(=O)c1-c1cscn1	97983363	PVMPTMQZVPQGRW-KSSHPFDJSA-N	661.638	2.598	0	40	KFAB	
CC(=O)N[C@H]1[C@@H](Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	98044710	AUZCUOOUVRHFOF-UTBUEMAESA-N	559.412	2.759	0	40	KFAB	
COc1cc(C[C@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3cccc4ccccc34)CC2)cc(OC)c1	100472151	MDPGIJWDEBIBFU-SANMLTNESA-N	539.654	2.874	0	40	KFAB	
CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NCCOC)cc1	222792176	VGBBTNPSRZFFJD-SFHVURJKSA-N	510.056	2.751	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O	224022630	ZZSNAFJAQQJNET-INIZCTEOSA-N	526.453	2.777	0	40	KFAB	
CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	224122561	UKBWYIPHQOJZSG-OAQYLSRUSA-N	503.621	2.557	0	40	KFAB	
CC[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O	224485916	KLCQNBYKSFGFGV-OAQYLSRUSA-N	594.539	2.754	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1	224512140	ASSGGROGMDWWHP-UHFFFAOYSA-N	537.645	2.774	0	40	KFAB	
CCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	225372627	MCLMKQCWCHQPDQ-JOCHJYFZSA-N	535.663	2.812	0	40	KFAB	
CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O	225408476	DJIKDZTVGUHZFE-DEOSSOPVSA-N	517.648	2.997	0	40	KFAB	
CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	225434418	OXAHCRBZJMQJIL-JOCHJYFZSA-N	519.664	2.846	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	225586309	JXMALEIOQFHCOA-DEOSSOPVSA-N	537.638	2.876	0	40	KFAB	
COc1ccc([C@@H](CC(=O)N2C[C@@H](C(=O)NCc3ccccc3)Oc3ccccc32)NS(C)(=O)=O)cc1	225953519	XGPWGAXWUXIBPT-RDGATRHJSA-N	523.611	2.786	0	40	KFAB	
C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1	245228135	GJBYWHIUUYCJQM-BVYCBKJFSA-N	518.657	2.635	0	40	KFAB	
CCc1ccc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1	409024683	NGLATKSTQCMXMQ-DEOSSOPVSA-N	513.641	2.952	0	40	KFAB	
O=C(CN1C(=O)S/C(=C\c2cn(CC(=O)N3CCCC3)c3ccc(Br)cc23)C1=O)N1CCOCC1	409130265	LBMDWHDZKGQLQV-JAIQZWGSSA-N	561.458	2.921	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br	409156328	NSPUBVUHWZJXTG-KWXRMHBDSA-N	686.581	2.816	0	40	KFAB	
COC(=O)C[C@@H](c1cc2cc3c(cc2nc1O)OCCO3)c1c(O)cc(C)n(CCc2cnc[nH]2)c1=O	604418456	GPFHUGMHOVJBLW-KRWDZBQOSA-N	506.515	2.548	0	40	KFAB	
COC[C@H](C)n1c(COc2ccccc2F)nnc1SCC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O	3294657	GVZUFOWFTMPGBL-KRWDZBQOSA-N	568.631	2.670	0	40	KFAB	
NC(=O)N[C@@H]1O[C@@H](COC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1	5179651	NGOXGWUANSSZOJ-CWBXHPNXSA-N	504.495	2.688	0	40	KFAB	
CCCCn1c(CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	6095174	MKCUOTMCSUTXNW-BVZFJXPGSA-N	517.652	2.858	0	40	KFAB	
O=C(NC1CCCC1)[C@@H](c1ccc(O)cc1)N(C[C@H]1CCCO1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1	12702720	LIJZFSLTADFKIA-ILBGXUMGSA-N	522.581	2.993	0	40	KFAB	
COc1cc(C(C)=O)ccc1OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1	32956566	PKKSHGCAKRWXAW-UHFFFAOYSA-N	517.604	2.536	0	40	KFAB	
COc1ccc(C(O[C@H]2CO[C@@H](n3ccc(=O)[nH]c3=O)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1	100410060	ZAFYDTSNKMUVJC-WYMJOSIYSA-N	516.550	2.821	0	40	KFAB	
NS(=O)(=O)c1ccc(CCNC(=O)CSC2=Nc3ccccc3C3=N[C@@H](CCC(=O)NCc4cccs4)C(=O)N23)cc1	102745671	NJHBLXMLPUINJD-QHCPKHFHSA-N	624.770	2.543	0	40	KFAB	
O=c1[nH]c(=O)n(-c2cccc(Cl)c2)c(O)c1C(c1ccccn1)c1c(O)n(-c2cccc(Cl)c2)c(=O)[nH]c1=O	103770575	BXKVYFXWBASOGI-UHFFFAOYSA-N	566.357	2.658	0	40	KFAB	
COc1ccc(/C=C/C(=O)NCc2nnc(SCC(=O)N3CCN(c4ccccc4)CC3)n2C)cc1OC	105664885	BGDZXDDNXJGNGH-ZRDIBKRKSA-N	536.658	2.603	0	40	KFAB	
CCCNS(=O)(=O)c1ccc(OCC(=O)N2C[C@@H](C(=O)NCCc3ccccc3)Oc3ccccc32)cc1	222666556	LJLCYOFIXJSNIV-SANMLTNESA-N	537.638	2.907	0	40	KFAB	
O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1	226051127	JVIXCYIGPPOWJM-UHFFFAOYSA-N	519.689	2.547	0	40	KFAB	
Cc1csc(CCCNC(=O)[C@@H]2CC(=O)N[C@@H](C)C(=O)N(C)[C@@H](Cc3ccccc3)COc3ccccc3C(=O)N2)n1	643566891	ZZLQEQKGRVGLTQ-RSEQLOHWSA-N	591.734	2.656	0	40	KFAB	
CN1CC(=O)N[C@H](Cc2ccccc2)COc2ccccc2C(=O)N[C@H](C(=O)NCc2cccc(CN3CCOCC3)c2)CC(=O)N(Cc2ccccc2)CC1=O	643574824	SWWDXRPYLUPTNW-ZUBDYPCQSA-N	774.919	2.931	0	40	KFAB	
C[C@@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O	2147689	VIRHHEQMCQPPFZ-GYCJOSAFSA-N	531.565	2.849	0	40	KFAB	biogenic
C[C@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)Nc1ccc(SC(F)F)cc1	3314751	DHLUEOUWTDOUAN-GTNSWQLSSA-N	508.952	2.864	0	40	KFAB	
CC(=O)Nc1ccc(NC(=O)CSc2nc(-c3ccccc3C)nc3c2c(=O)n(C)c(=O)n3C)cc1	8895980	AROKVTIUZSXWQF-UHFFFAOYSA-N	504.572	2.692	0	40	KFAB	
COc1ccc(-c2nnc(SCC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)n2CCc2ccccc2)cc1	12487791	XDZIJHFFDTUTRY-HXUWFJFHSA-N	500.646	2.934	0	40	KFAB	
COc1ccc2c(C)c(CC(=O)N[C@H](Cc3ccc(Cl)cc3)C(=O)NCCC(=O)O)c(=O)oc2c1C	12881312	ZOOOEWBQRVYCKA-HXUWFJFHSA-N	514.962	2.933	0	40	KFAB	biogenic
CSCC[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)N1CCC2(CC1)NCCc1nc[nH]c12	13551865	MULNGVGDXOWVCA-GOSISDBHSA-N	506.470	2.687	0	40	KFAB	biogenic
COCCn1nnnc1[C@@H](c1cc2cc(C)ccc2[nH]c1=O)N1CCN(c2nc3ccccc3s2)CC1	19972814	SRZQXGOMPXTOBD-HSZRJFAPSA-N	516.631	2.991	0	40	KFAB	
COc1ccc(CCN2C(=O)[C@@H]3[C@H](Cc4ccc(O)cc4)N[C@@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)cc1OC	70704884	IYZRVZXYQAVOMV-ZCTJEENXSA-N	545.567	2.754	0	40	KFAB	biogenic
COc1cc([C@@H]2c3cc4c(cc3[C@H](O[C@@H]3O[C@@H]5CO[C@H](c6cccs6)O[C@@H]5[C@H](O)[C@@H]3O)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	150652472	NRUKOCRGYNPUPR-HRFZIHHISA-N	656.662	2.753	0	40	KFAB	in-vitro
CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	222867999	PQMCMBVIVIYPEB-JOCHJYFZSA-N	535.663	2.810	0	40	KFAB	
COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NCc2ccccc2)cc1	223255471	SYBXAZFSVWAALK-SANMLTNESA-N	523.655	2.843	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O	224445040	WEBHEHQEYZKWPH-UHFFFAOYSA-N	531.603	2.943	0	40	KFAB	
CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)c1	226083479	QRTVDJSASDAXLD-OAHLLOKOSA-N	530.466	2.705	0	40	KFAB	
O=S1(=O)NC[C@H](O)CN(Cc2ccccc2)C[C@]2(COc3cc(-c4ccccc4F)ccc31)C[C@H](O)[C@H](O)C2	253398763	HKHWNOVTWUGPKI-OLAVNICZSA-N	556.656	2.529	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1cccc(OC)c1)[C@H](C)C(=O)NC(C)(C)C)c1ccc2c(c1)OCO2	260755951	DRMGIIDMNRHRDP-GOSISDBHSA-N	533.647	2.912	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C)c4ccc(Br)cc43)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	409117435	LWDDZMBMBMAONU-RKKARLDVSA-N	598.475	2.925	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OC)c(OCCCn3ccnc3)c2)C[C@@](O)(COc2ccc(F)c(F)c2)C1	585274904	RCWSVZVPINDOND-LJAQVGFWSA-N	574.625	2.740	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(CCN2C(=O)c3ccccc3C2=O)CCN2C(=O)c3ccccc3C2=O)cc1	1516365	SQEUWXAHNQQFKO-UHFFFAOYSA-N	517.563	2.578	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(C(=O)OCCN2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)cc1	3223791	IUEUIGYDUFSFJM-HDLCADABSA-N	530.602	2.986	0	40	KFAB	
CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)NC2(C(=O)O)CCCCC2)CC1	8918396	YNDKQUXJGMQFSF-UGKGYDQZSA-N	521.680	2.830	0	40	KFAB	biogenic
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3cccc(Cl)c3)CC2)N[C@@H]1c1ccc(OC)cc1OC	10157505	NLWYQXZHLJPCAV-FCHUYYIVSA-N	500.983	2.886	0	40	KFAB	
O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl	12975641	SZJODHXYPIAYIV-XMMPIXPASA-N	517.007	2.847	0	40	KFAB	
CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2c1	22866548	QSHWORJVSDGIQP-NEKDWFFYSA-N	557.655	2.892	0	40	KFAB	
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CN(c3c(C)cccc3C)S(C)(=O)=O)cc2)n1	38754205	OUZGZYRABXYEDK-UHFFFAOYSA-N	517.633	2.916	0	40	KFAB	
COC(CNC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C)OC	49942361	HILGGRLSUGSIMC-MRFFJIIUSA-N	533.662	2.877	0	40	KFAB	
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	67911301	YMIXNQVKVPYZHL-YWSRBNGNSA-N	638.839	2.917	0	40	KFAB	
Cc1c(CCC(=O)NCC(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)O)c(=O)oc2cc3oc4c(c3cc12)CCCC4	70707577	NTWDLRAFPRKQQE-XMMPIXPASA-N	587.629	2.704	0	40	KFAB	biogenic
CCOC(=O)c1c(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)sc(C(=O)N(C)C)c1C	103113457	NPFZNGAPXKUYQV-UHFFFAOYSA-N	551.643	2.515	0	40	KFAB	
CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](Cc2cc(I)c(O)c(I)c2)C(=O)O)cc1	150433018	NYQVBYIPEMNOPZ-HNNXBMFYSA-N	630.198	2.534	0	40	KFAB	
CNS(=O)(=O)c1ccc(C)c(NC(=O)c2ccc(OC)c(S(=O)(=O)NCc3ccccc3)c2)c1	222909079	BNNAWNLWTQKQFL-UHFFFAOYSA-N	503.602	2.643	0	40	KFAB	
COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H](C)C(=O)NCCc2ccccc2)cc1	222933507	BKNPQKZHPQAPQD-DEOSSOPVSA-N	595.718	2.871	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	223051785	SGORVSSLXCTIIY-MRXNPFEDSA-N	556.479	2.786	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O	225455315	KLWBMBXYTYEQAZ-CQSZACIVSA-N	608.296	2.983	0	40	KFAB	
C/C(=C\C(=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	257482990	MINDHVHHQZYEEK-ZKJZUHSOSA-N	500.629	2.593	0	40	KFAB	biogenic,in-vitro
COC(=O)CNC(=O)[C@@H](Cc1cc(I)c(O)c(I)c1)NC(=O)OCc1ccccc1	408738569	SHZICSRRSQHJJU-MRXNPFEDSA-N	638.196	2.728	0	40	KFAB	
COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(=O)OC)cc3)c(=O)n2[C@H]1c1ccccc1OC(C)C	409012008	HCENTKUGDZZBGL-ZMIGGIFCSA-N	550.633	2.999	0	40	KFAB	
CCCCN1CCOc2ccccc2CCCC[C@@]2(CN(C(=O)CN3CCN(CC)CC3)CCO2)C1=O	643557442	VYCBRSHPFCDWLJ-GDLZYMKVSA-N	514.711	2.656	0	40	KFAB	
CC(C)C[C@@H]1NC(=O)CC[C@@H](C(=O)NCCN(C)C)NC(=O)c2ccccc2OCCCCCCN(C)C(=O)[C@H](Cc2ccccc2)NC1=O	1615161287	UGWHZLTWOYZSGD-CPCREDONSA-N	692.902	2.913	0	40	KFAB	
Cc1ccc(-c2nnn(CC(=O)N(c3ccc4c(c3)OCCO4)[C@H](C(=O)NC[C@@H]3CCCO3)c3ccco3)n2)o1	888711	RJCOBDSZWVXYOE-DFBJGRDBSA-N	548.556	2.675	0	40	KFAB	
CC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)c2C(N)=O)C1	3007319	NEJLYOLIPNEIAI-UHFFFAOYSA-N	504.634	2.569	0	40	KFAB	
COc1cc(NC(=O)O[C@@H]2CC[C@@]3(C)[C@H](CC(=O)N4CC[C@H](NC(C)=O)C4)[C@H](O)CC[C@H]3[C@]2(C)CO)cc(OC)c1	4236811	XWLDASBODQKJKZ-KJKNJYOBSA-N	575.703	2.934	0	40	KFAB	biogenic,in-vitro
CC(C)CCNC(=O)[C@@H](c1ccncc1)N(C[C@@H]1CCCO1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1	6076923	IOTOPIJDMFYUKE-LADGPHEKSA-N	509.586	2.785	0	40	KFAB	
COc1ccc(CN2C[C@H](O)C[C@H]2c2nc(CS(=O)(=O)c3ccc(C)cc3)no2)c(OC)c1OC	15674574	WKSKCPJBPAYXIJ-MJGOQNOKSA-N	503.577	2.686	0	40	KFAB	biogenic,in-vitro
COCCCNC(=O)C1CCC(Cn2c(=O)c3sccc3n(CC(=O)Nc3cccc(F)c3)c2=O)CC1	21365435	HNSYWJCCIRQXPC-UHFFFAOYSA-N	530.622	2.962	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@@H](C)N(c1cc(Cl)ccc1OC)S(C)(=O)=O	59852725	SQHGIDNVJKQLLR-OAHLLOKOSA-N	546.067	2.935	0	40	KFAB	
COc1cc(/C=C/C(=O)OCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc(OC)c1OC	97979312	QAICKRCWVRUASO-QPJJXVBHSA-N	555.005	2.582	0	40	KFAB	
O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(S(=O)(=O)NC2=NCCCCC2)cc1	105154917	KYZCZPLJVMWRJQ-UHFFFAOYSA-N	548.687	2.530	0	40	KFAB	
COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)ccc1OCC(=O)Nc1ccccc1	214689034	BTQKNZZQADGUAQ-KGENOOAVSA-N	511.556	2.608	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	225217463	JKLAOPYEHZWXFJ-INIZCTEOSA-N	536.448	2.927	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	225586277	JXMALEIOQFHCOA-XMMPIXPASA-N	537.638	2.876	0	40	KFAB	
O=CN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2/C=C\COc2ccccc2CN(C(=O)c2cccc(F)c2)CC3=O)CC1	253399015	HXFDABLRPKOVKN-RLDJKMRYSA-N	562.642	2.572	0	40	KFAB	
O=CN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2/C=C\COc2ccccc2CN(Cc2ccc(F)cc2)CC3=O)CC1	253403519	QAZDDQIWCVHSMZ-YWBNLYJKSA-N	548.659	2.932	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)OC)c(I)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409043372	MCBYHWDWTQIZFO-UIFFJVJYSA-N	750.564	2.905	0	40	KFAB	
CCOc1cc(C(c2c(O)n(C)c(=S)n(C)c2=O)c2c(O)n(C)c(=S)n(C)c2=O)cc(Br)c1OC	409073293	LXMVXWGNAFYVMU-UHFFFAOYSA-N	585.502	2.981	0	40	KFAB	
O=C1C[C@@H](C(=O)NCc2ccc(CN3CCCCC3)cc2)NC(=O)c2ccccc2OCCNC(=O)[C@H](Cc2ccccc2)N1	643566625	USWJDWARAOXVHQ-KYJUHHDHSA-N	611.743	2.714	0	40	KFAB	
CCOC(=O)CNC(=O)[C@H](c1ccc2ncccc2c1)N(Cc1ccc(F)cc1)C(=O)c1snc(C(N)=O)c1N	6089366	RRHFCUGIVSGWIA-QHCPKHFHSA-N	564.599	2.575	0	40	KFAB	
COCCNC(=O)[C@H](c1ccc2ncccc2c1)N(Cc1ccc(OC)cc1)C(=O)c1snc(C(N)=O)c1N	6136214	VIZJMBMIMHTOJW-QHCPKHFHSA-N	548.625	2.527	0	40	KFAB	
COc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2cccnc2)C(=O)c2snc(C(N)=O)c2N)cc1OC	6162725	ZUBFNODLDLHKIP-QFIPXVFZSA-N	538.630	2.679	0	40	KFAB	
Cc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(F)cc2)o1	12715074	RZLNUPXEWRAQCG-BEFAXECRSA-N	501.540	2.548	0	40	KFAB	
Cc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(Cc2ccc(F)cc2)C(=O)c2snc(C(N)=O)c2N)o1	12715092	IZVQHXXRPYFBQO-UZLBHIALSA-N	515.567	2.544	0	40	KFAB	
O=C(c1ccc(-n2cnc3ccccc3c2=O)cc1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1	12885451	OIAQTZJFZGKBBG-UHFFFAOYSA-N	510.522	2.811	0	40	KFAB	
Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCc2ccc(S(N)(=O)=O)cc2)c(C)c1	20030894	RWWPZWIOJXFVDN-UHFFFAOYSA-N	529.684	2.809	0	40	KFAB	
Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N(C)C)cc3)cc2)c1	20032555	UBMWYICGOJPUFY-UHFFFAOYSA-N	517.629	2.741	0	40	KFAB	
COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H](CC(N)=O)N[C@]12C(=O)Nc1ccc(Br)cc12	61999538	QXHHTWPQPJNDRS-YOEYROIRSA-N	507.772	2.751	0	40	KFAB	biogenic
COCCN(C(=O)COC(=O)c1ccc(-c2ccccc2)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	72139682	RWIYCFOEGDDNJT-UHFFFAOYSA-N	528.565	2.671	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	222964668	WJBAEEJXDVOARB-LJQANCHMSA-N	505.637	2.803	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223074940	NMHCDLVLQDXOAK-HXUWFJFHSA-N	517.648	2.866	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	223742175	WVMLZKCURFACDG-INIZCTEOSA-N	512.028	2.677	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\Nc3ccccc3OC)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	408878151	XCEWUKZOIJJVRO-CVGPFBNFSA-N	509.584	2.845	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(=O)OC)cc3)c(=O)n2[C@@H]1c1cccc(OC)c1OCC	408913873	UTVSFJVXVDEBBR-JDCXBEBJSA-N	536.606	2.992	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3OC)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409034127	NGQNIJVYHNSIBL-RJFKIUDMSA-N	596.658	2.766	0	40	KFAB	
O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4cc(C5CCCC5)ccc41)CC[C@@H]3O)N(C1CCOCC1)C2	514287646	SWXPYECLULZMBB-QIXRUXETSA-N	541.689	2.503	0	40	KFAB	
CCOc1cc(C(=S)N2C[C@@H](C)O[C@H](C)C2)cc(I)c1OCC(=O)N1CCOCC1	1105248	KOKUVJCXMMXQAC-HUUCEWRRSA-N	548.443	2.712	0	40	KFAB	
Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N3CCN(S(=O)(=O)c4cccs4)CC3)CC2)c(C)c1	3410033	QDRLELYSALTIAA-UHFFFAOYSA-N	525.718	2.607	0	40	KFAB	
COc1cc(NS(=O)(=O)c2ccc(NC(=O)CSc3nnc(CSc4nc(C)cc(C)n4)n3C)cc2)nc(OC)n1	6142971	PYUFGZWLVOBLPP-UHFFFAOYSA-N	617.739	2.853	0	40	KFAB	
CCOC(=O)CN(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)[C@H](C(=O)NC(C)(C)C)c1ccc(F)cc1	6546198	IVUXFCQCRNWTFE-QFIPXVFZSA-N	514.533	2.666	0	40	KFAB	
CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)c1	13014151	FNEOFFJZQDDAMI-UHFFFAOYSA-N	504.030	2.882	0	40	KFAB	
CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)NC1CCN(c2c(Cc3ccccc3)c(C)nc3ncnn23)CC1	13565700	LYDGCIHGDQQGLP-AREMUKBSSA-N	529.620	2.995	0	40	KFAB	
COc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)cc1Cl	13677918	OYKKJFPAFBBDTJ-OAHLLOKOSA-N	516.041	2.926	0	40	KFAB	
O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1nnc(C2CCCCC2)s1	13786767	DZOZXXOQCOSBKQ-UHFFFAOYSA-N	509.629	2.977	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(CNC(=O)CCc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1	20032974	BNHLHDACKJYOIP-UHFFFAOYSA-N	529.684	2.707	0	40	KFAB	
COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1Cl	59838164	PTYNKVOCUQFZOH-MRXNPFEDSA-N	530.068	2.506	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(C[C@H]3CCCO3)[C@@H](C(=O)NC3CCCC3)c3ccco3)n2)cc1OC	100276490	UQUFTQIEAFJYHI-CJFMBICVSA-N	538.605	2.758	0	40	KFAB	
COCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1	222874721	KHQCDVDPCNRGOK-FQEVSTJZSA-N	519.639	2.723	0	40	KFAB	
CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O	223487701	DEZTWZUHGUGYLM-OAQYLSRUSA-N	503.621	2.557	0	40	KFAB	
CCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	224542938	KPPGEWNDNYZCOZ-QFIPXVFZSA-N	533.647	2.566	0	40	KFAB	
CN1CCN(C(=O)C[C@@]2(COc3cccc(Cl)c3)CCCN(C(=O)CCN3CCCC3=O)C2)CC1	257313274	URQAXZVPGYMEDY-SANMLTNESA-N	505.059	2.504	0	40	KFAB	
CC(=O)N[C@H](C(=O)N1CC[C@H]2NC(=O)[C@@H](Cc3ccccc3)NC(=O)C3(CC=CC[C@H]2C1)CCOCC3)[C@@H](C)OC(C)(C)C	2037829048	HPSRZSHLKHSGCH-MCPFUKIPSA-N	610.796	2.902	0	40	KFAB	
COc1ccccc1CNC(=O)CN1CC[C@H]2NC(=O)[C@H](Cc3ccccc3)NC(=O)C3(CC=CC[C@H]2C1)CCOCC3	2037879441	WYPZMWKPYNHESD-NHKHRBQYSA-N	588.749	2.992	0	40	KFAB	
Cn1c(N)c(C(=O)CSc2nnc(-c3ccc(Br)cc3)n2CCc2ccccc2)c(=O)n(C)c1=O	3337555	NBIKKAQVDWDEMX-UHFFFAOYSA-N	555.458	2.905	0	40	KFAB	
COC(=O)c1ccc(S(=O)(=O)N2CCC(c3nc(=O)c4nnn(Cc5cc(C)ccc5C)c4[nH]3)CC2)cc1	6173184	XSCZKXGBNXCLQA-UHFFFAOYSA-N	536.614	2.535	0	40	KFAB	
COC(=O)c1ccccc1NC(=O)CSc1nnc(CNC(=O)/C=C/c2ccc(OC)c(OC)c2)n1C	10041218	ZHPPROWAWFEYAF-ZRDIBKRKSA-N	525.587	2.679	0	40	KFAB	
O=C(COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)Nc1ccc(Cl)cc1F	12993800	CKXZRHHYAXIWKD-UHFFFAOYSA-N	512.943	2.833	0	40	KFAB	
O=C1[C@H]2[C@@H](C(=O)N1C[C@@H]1CCCO1)[C@H]([C@H](O)c1ccc(Cl)cc1)N[C@@]21C(=O)Nc2c(Cl)cccc21	13607839	HDWWXRJOJFWTMD-DAZVSRAXSA-N	516.381	2.626	0	40	KFAB	
COc1ccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4ccccc4F)CC3)c(=O)[nH]c2c1	19940435	ZHCNZJYLWMFXSE-CPJSRVTESA-N	519.581	2.753	0	40	KFAB	
O=C(O)c1cccc(S(=O)(=O)N2CCC[C@H](c3nc(O)c4nnn(Cc5ccccc5Cl)c4n3)C2)c1	38145716	LDIVAESONBPBBN-INIZCTEOSA-N	528.978	2.895	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)Nc3cc(S(C)(=O)=O)ccc3Cl)CC2)cc1C	38152783	YDONGIKYHSJLMX-UHFFFAOYSA-N	543.063	2.943	0	40	KFAB	
O=c1cc(CN2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)nc2sc(-c3ccccc3)nn12	41077602	NQAXIDLWWDNWCV-UHFFFAOYSA-N	503.556	2.603	0	40	KFAB	
Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)ccc12	85533092	CGHJNIDVCUBKPA-KCHLEUMXSA-N	733.823	2.806	0	40	KFAB	
CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3F)CC2)NC(=O)N[C@@H]1c1ccc(OC)c(COC)c1	98045777	ZSZTXDFJCDOEBE-RUZDIDTESA-N	540.592	2.610	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@H](C(=O)NC[C@@H]3CCCO3)c3ccco3)n2)cc1OC	100277511	SDQUVHJODLQOJL-DFBJGRDBSA-N	550.572	2.609	0	40	KFAB	
CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)Oc2ccc(Cl)cc21	216487941	ANFFDUKDJPCGED-LJQANCHMSA-N	522.992	2.702	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C	222571980	BGBMVKGEYGUNRS-VWLOTQADSA-N	526.634	2.825	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COc1ccc(S(=O)(=O)N2CCCCCC2)cc1	222751637	IPLNLZAEHYVJAI-UHFFFAOYSA-N	509.650	2.828	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCOc3ccc(S(=O)(=O)N4CCCCC4)cc3)C2)cc1	224425633	BVPAIYYXZYTVRL-JOCHJYFZSA-N	549.715	2.766	0	40	KFAB	
Cc1cc(C)n(CC(=O)N2CC[C@H](Oc3cccc(Br)c3)[C@@H](CC(=O)N3CCN(C)CC3)C2)n1	257228168	FSPQBTSHFMZDSQ-REWPJTCUSA-N	532.483	2.723	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)[C@H](C)C(=O)NC(C)(C)C)c1	260738456	AQVVDVGAOJEEOZ-QGZVFWFLSA-N	519.620	2.522	0	40	KFAB	
CO[C@@H](C)C(=O)Oc1cc2c(=O)c(-c3ccc(C[C@@H](OC)C(=O)O)cc3)coc2cc1OC(=O)[C@@H](C)OC	263583683	SWGAGWGEWZSBAK-JIQFQSSQSA-N	528.510	2.983	0	40	KFAB	
CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O	299754720	LHIVKTBFJFEBPW-BBACVFHCSA-N	844.004	2.789	0	40	KFAB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(C(=O)OC)cc4)c(=O)n32)cc1OCC	408933211	ILMNGLAVXFATTJ-ZWULCIMOSA-N	522.579	2.602	0	40	KFAB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H]2CS(=O)(=O)C[C@H]2NCc2ccccc2)cc1	575426415	SRBLGIZPSKPQGX-RPBOFIJWSA-N	500.642	2.842	0	40	KFAB	
CC[C@H](C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCOc2ccc(OC)cc2)NC(=O)c2ccccc2OC[C@H](CC(C)C)NC1=O	643566409	XWQZIYZMJLWUGW-FQFDVSBWSA-N	596.725	2.833	0	40	KFAB	
CC(C)C[C@@H]1NC(=O)CC[C@@H](C(=O)NCCCc2ccccc2)NC(=O)c2ccccc2OCCCNC1=O	643567404	GGZYTZRQWZTDTH-DQEYMECFSA-N	536.673	2.744	0	40	KFAB	
C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1Cc1sc(NC(=O)c3ccco3)nc1[C@H]2CC(=O)N1CCOCC1	4222434	MJIDEDCNYRCINZ-GWKZUWMJSA-N	503.621	2.653	0	40	KFAB	biogenic,in-vitro
CCOC(=O)CNC(=O)[C@@H](c1ccc(OCC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(C)cc(C)c1	6601624	IBAJDGCAOVVSNQ-HSZRJFAPSA-N	553.641	2.907	0	40	KFAB	
O=S(=O)(NC[C@@H]1CCCO1)c1ccc(S(=O)(=O)N(Cc2ccccc2F)C[C@H]2CCCO2)cc1	9203493	KHBCZPQKXRVULX-VQTJNVASSA-N	512.625	2.653	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(N(C)S(=O)(=O)c4ccccc4)cc3)CC2)cc1	13676199	DQXGUEIBZDELNE-UHFFFAOYSA-N	513.641	2.967	0	40	KFAB	
CCN1C(=O)C(C(c2ccccc2Cl)C2C(=O)N(CC)C(=S)N(CC)C2=O)C(=O)N(CC)C1=S	15912989	KPAKHHYMYWZJLP-UHFFFAOYSA-N	523.080	2.647	0	40	KFAB	
Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1	30756449	OSMROXUQDFDIQB-INIZCTEOSA-N	515.057	2.906	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@@H](C(=O)NC[C@H]3CCCO3)c3ccco3)n2)cc1OC	100277521	SDQUVHJODLQOJL-KBMIEXCESA-N	550.572	2.609	0	40	KFAB	
CN1C[C@]2(Cc3ccccc3)c3ccccc3N[C@]2(NC(=O)C(=O)N[C@]23Nc4ccccc4[C@]2(Cc2ccccc2)CN(C)C3=O)C1=O	150384304	CUPHGIBQOXLNCO-NAQJMGRXSA-N	640.744	2.768	0	40	KFAB	
CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	222440015	FISNKHRHOKABDF-QFIPXVFZSA-N	517.648	2.864	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C	222522016	TUDRQSVCMYFBIP-RUZDIDTESA-N	526.634	2.825	0	40	KFAB	
C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1F)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	225163517	PTYOTSVQSGXDMP-KRWDZBQOSA-N	501.580	2.836	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NCC(C)C)c1ccc2c(c1)OCO2	260858527	ALQHDQLFPYTICI-GOSISDBHSA-N	521.611	2.900	0	40	KFAB	
O=C(COc1ccc(N2C[C@@H](C(=O)NCCCN3CCOCC3)CC2=O)cc1)Nc1ccc(Cl)cc1	408582439	WMYKNDLXNLADKM-IBGZPJMESA-N	515.010	2.549	0	40	KFAB	
CCOC(=O)COc1c(Br)cc(C(c2c(O)n(C)c(=S)n(C)c2=O)c2c(O)n(C)c(=S)n(C)c2=O)cc1OC	409072024	AGAGSINIWVATKF-UHFFFAOYSA-N	643.538	2.524	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OCCCn3cc(C)ccc3=O)cc2)C[C@](O)(COc2ccccc2)C1	585280497	OPCPLIIDCOMYBS-WJOKGBTCSA-N	549.668	2.727	0	40	KFAB	
COCC(=O)N1CCN(CC2(O)CCN(c3ccc(C)cc3)CC2)C[C@@](O)(COc2ccc(C)c(C)c2)C1	585284347	XBIDCAUENNQJJL-PMERELPUSA-N	525.690	2.544	0	40	KFAB	
COCC(=O)N1C[C@H](CC(C)C)N(C(=O)CSc2nnc(-c3cccnc3)n2-c2ccc(OC)cc2)CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)C1	643913379	UPJAOZQFRFXCAE-GUCGJYCKSA-N	714.886	2.696	0	40	KFAB	
O=S(=O)(c1ccc(OC[C@@H](O)CN2CCCCC2)cc1)c1ccc(OC[C@@H](O)CN2CCCCC2)cc1	726068	WDDDEGWQAMRTDL-ZEQRLZLVSA-N	532.703	2.971	0	40	KFAB	
CCOC(=O)C1CCN([C@H](c2cc3cc4c(cc3[nH]c2=O)OCO4)c2nnnn2Cc2ccc(OC)cc2)CC1	6194810	GWWQCRWLLNTFHY-RUZDIDTESA-N	546.584	2.665	0	40	KFAB	
COc1ccc(C[C@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)cc1	13565648	YUDRHVXDJQBMBR-NRFANRHFSA-N	527.565	2.731	0	40	KFAB	
COc1ccccc1[C@H]1CN2C(=O)CN(CCCN3CCOCC3)C(=O)[C@]2(C)c2[nH]c3ccccc3c21	20611563	TWSDZFRMIJZFFZ-MNNSJKJDSA-N	502.615	2.930	0	40	KFAB	biogenic
C[C@H]1CN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4C[C@H](C)O[C@H](C)C4)cc3)cc2)C[C@H](C)O1	28394035	QXYDGVIKLJYDTR-LWYYNNOASA-N	508.662	2.949	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(Cc3ccc4c(c3)OCO4)[C@H](C(=O)NC[C@@H]3CCCO3)c3ccco3)n2)cc1OC	100277476	CXBCVOGOZCFMAP-KMRXNPHXSA-N	604.620	2.744	0	40	KFAB	
CCOc1ccc(CCN(C(=O)/C=C/C(=O)O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2=O)cc1OCC	103254406	RNRBBMXZDINAJS-JNCYCUAHSA-N	510.543	2.837	0	40	KFAB	
COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)[C@H](Cc2ccccc2)C(=O)NCCO)cc1	223250984	FKDZAOPDZGZANR-GDLZYMKVSA-N	579.719	2.817	0	40	KFAB	
COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(OC)cc3OC)S(C)(=O)=O)cc2)c1	408923215	ASOPLBRVKMUGLB-UHFFFAOYSA-N	579.653	2.927	0	40	KFAB	
CCOc1cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)cc(Br)c1OCC(=O)OC	409107901	XWLSRLZQNCZAQA-CEITULEQSA-N	502.339	2.997	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(CC(=O)N4CCOCC4)c4ccccc34)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1	409153969	JEERWHSTSORZOL-YLKQWKBVSA-N	660.749	2.638	0	40	KFAB	
CC(=O)c1ccccc1NCC(=O)Nn1cnc2ccc(S(=O)(=O)Nc3ccccc3C(C)=O)cc2c1=O	1651078	KOVFPJIWVIKHOP-UHFFFAOYSA-N	533.566	2.785	0	40	KFAB	
CC(C)C[C@@H](NC(=O)[C@H](NC(=O)[C@@H](CCC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(N)=O	6135113	OQCSRTHUMNABCZ-MQSCRBSSSA-N	548.681	2.560	0	40	KFAB	
O=C(COC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1)NC[C@H]1CCCO1	12858548	GXHKYENQRKAHNL-CQSZACIVSA-N	512.934	2.598	0	40	KFAB	
O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1	20031824	ULWVVKHNIIMACN-IBGZPJMESA-N	526.080	2.842	0	40	KFAB	
COC(=O)C1=C(CS(=O)(=O)c2ccc(Br)s2)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1	33357553	RRKOZKVQPXEBRS-KRWDZBQOSA-N	531.406	2.783	0	40	KFAB	
COc1ccc(CNC(=O)[C@H](C)NC(=O)C2CCN(C(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)CC2)cc1	38140334	MUTTWFCTUGTBAO-AVRDEDQJSA-N	550.722	2.701	0	40	KFAB	biogenic
Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	59837400	MIZSGFXLYDAMQS-UHFFFAOYSA-N	571.721	2.566	0	40	KFAB	
Cc1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1OCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1	59852100	WGJZQTBFHXBXJN-UHFFFAOYSA-N	577.656	2.651	0	40	KFAB	
CCCn1cc(C(=O)N2CCN(CC(C)C)CC2)c(S(=O)(=O)N2CCN(c3ccccc3OCC)CC2)n1	102920517	HDHILVAUCSXIBA-UHFFFAOYSA-N	546.738	2.617	0	40	KFAB	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)CCNS(=O)(=O)c2ccccc2C(F)(F)F)c1	103048537	NVOXJJDETCPQOS-UHFFFAOYSA-N	592.662	2.880	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)N(C)CC(=O)Nc3ccccc3Cl)CC2)cc1C	103070761	DRCRGBUYWGEVRJ-UHFFFAOYSA-N	536.050	2.998	0	40	KFAB	
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl	103093630	PLZRVODEHPHOPH-UHFFFAOYSA-N	612.101	2.890	0	40	KFAB	
C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c1	103102198	QSTBOJFLLWWQDM-SFHVURJKSA-N	557.650	2.872	0	40	KFAB	
CS(=O)(=O)N(CC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccc(I)cc1	216480506	DBGYTXNMHJWWSR-UHFFFAOYSA-N	513.357	2.823	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O	224044699	ICFQEUZKIIUJAP-LJQANCHMSA-N	505.637	2.803	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O	225505589	VAGHVJCTQYKGSL-RUZDIDTESA-N	509.628	2.847	0	40	KFAB	
Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)s2)cc1	225711084	GYYPPJMZYHRUHO-UHFFFAOYSA-N	507.619	2.684	0	40	KFAB	
CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	225713128	ZYUABHJDSWESMG-OAQYLSRUSA-N	503.621	2.903	0	40	KFAB	
CCOc1cc(/C=c2\sc3ncnn3c2=O)ccc1OCC(=O)Nc1ccc(Br)cc1	256055727	QWWDCUQCGKWYKA-ZDLGFXPLSA-N	501.362	2.877	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	261006533	SQSZMONWGNNXRR-PMACEKPBSA-N	517.648	2.598	0	40	KFAB	
O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	409247820	BNOHIPMQXIVAFA-NDEPHWFRSA-N	646.813	2.954	0	40	KFAB	
CCN1CCOc2ccccc2CCCC[C@@]2(CN(C(=O)Cn3ncc4ccccc4c3=O)CCO2)C1=O	643557340	RYZZXDZJADSMDW-GDLZYMKVSA-N	518.614	2.648	0	40	KFAB	
CC(C)C[C@H]1C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C)COc2ccccc2C(=O)N[C@H](C(=O)NCCCc2ccccc2)CC(=O)N1C	643571297	DNHFQPYVBUZAEA-DHKSYCEHSA-N	635.806	2.835	0	40	KFAB	
O=C(Cc1ccc2c(c1)CN(Cc1ccccc1)CC(=O)NCCCCCO2)NCCCN1CCOCC1	643571415	LKZVANRMKLUABL-UHFFFAOYSA-N	522.690	2.749	0	40	KFAB	
COc1cc(OC)c(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1S(=O)(=O)Nc1ccc(C(=O)O)cc1	3181281	CSEWGNILBDVHHT-UHFFFAOYSA-N	536.540	2.702	0	40	KFAB	
COc1cc(NC(=S)N[C@H]2CO[C@@H]3[C@H](OC(=O)Nc4cccc(C(C)=O)c4)CO[C@H]23)cc(OC)c1	4147343	ILFHQKCEAXFNTC-DXBBTUNJSA-N	501.561	2.976	0	40	KFAB	biogenic,in-vitro
CCOC(=O)Cc1csc(NC(=O)c2cn(CC)c3cc(N4CCN(C)CC4)c(F)cc3c2=O)n1	8995775	MYEHXRYDUJAXCX-UHFFFAOYSA-N	501.584	2.727	0	40	KFAB	
COc1cccc(CN2CCN([C@H](c3cc4cc(C)ccc4[nH]c3=O)c3nnnn3C[C@H]3CCCO3)CC2)c1	19826242	LNFSFGDSHZOBHL-SHQCIBLASA-N	529.645	2.918	0	40	KFAB	
COCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1	19855842	ATEMPBHHFJMIAL-UHFFFAOYSA-N	527.599	2.914	0	40	KFAB	
COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(Cc3ccccc3)CC2)cc1OC	22246663	OSJQFGHNOFQFTO-RUZDIDTESA-N	523.655	2.938	0	40	KFAB	
COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(Cc2cccs2)C(=O)c2snc(C(N)=O)c2N)cc1OC	38145149	JWSABGHLQULOKB-YCRPNKLZSA-N	559.670	2.582	0	40	KFAB	
Cc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@@H](C(=O)NCc3ccccc3)c3ccc(F)cc3)n2)o1	100290210	RTXOINDOXADWSW-MUUNZHRXSA-N	575.645	2.989	0	40	KFAB	
C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(COc2ccccc2F)nnc1SCC(=O)c1c(N)n(C)c(=O)n(C)c1=O	108823603	DDXGBFDTSWBNOB-QZWWFDLISA-N	542.637	2.948	0	40	KFAB	
CS(=O)(=O)N(CCCC(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1ccc2c(c1)OCCO2	222736425	LKAMSZWOAMIEFD-IBGZPJMESA-N	517.604	2.552	0	40	KFAB	
COc1ccc(CNC(=O)[C@@H](C)N(Cc2ccc(OC)cc2)C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	222933382	GTIXIYYWSAFSAD-HSZRJFAPSA-N	611.717	2.837	0	40	KFAB	
CN(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccccn1)S(C)(=O)=O	223116445	ULPFGLIHFMJVLY-DEOSSOPVSA-N	529.062	2.883	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	260874838	BIKNGNURCDIDKZ-UXHICEINSA-N	506.644	2.813	0	40	KFAB	
Cc1ccc(S(=O)(=O)CCNC(=O)CN2CCC3(CCCCc4ccccc4OCCNC3=O)CC2)cc1	643559024	ZHJZPGBVZOBYIH-UHFFFAOYSA-N	541.714	2.889	0	40	KFAB	
O=S1(=O)N=C2CCCCCN2[C@H](CSc2nnc(CN3CCCCC3)n2-c2ccc(F)cc2)N1	3331812	WPEKQDDAELGANF-OAQYLSRUSA-N	507.661	2.933	0	40	KFAB	
COC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)OCCO4)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1	8438040	DQDZHQJKBZKJMZ-ITIZVALFSA-N	536.606	2.975	0	40	KFAB	
COc1cc(CC(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc(OC)c1OC	8680935	VTVKRAOVSDSBDG-UHFFFAOYSA-N	526.995	2.875	0	40	KFAB	
CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1	20032999	HRNMUPIWWQTOHX-UHFFFAOYSA-N	507.678	2.797	0	40	KFAB	
COC(=O)C[C@@](O)(CCCC(C)(C)O)C(=O)O[C@H]1C(OC)=C[C@]23CCCN2CCc2cc4c(cc2[C@@H]13)OCO4	43450322	HYFHYPWGAURHIV-NSIYGSDQSA-N	545.629	2.581	0	40	KFAB	biogenic,in-vitro
CC(C)c1nc(Cc2ccc(NC(=O)COc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)no1	226076958	AIBAKAGIPORBHT-UHFFFAOYSA-N	500.577	2.822	0	40	KFAB	
COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1	408586202	ARDQLGSOSKTDEZ-IBGZPJMESA-N	536.050	2.822	0	40	KFAB	
COCCNS(=O)(=O)c1ccc(OCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)c(Cl)c1	408636512	RIWHJDRSLNOWQJ-VMPITWQZSA-N	508.040	2.501	0	40	KFAB	
O=S1(=O)C[C@@H]2[C@H](C1)N(S(=O)(=O)c1cc(Br)ccc1Br)[C@H]1CS(=O)(=O)C[C@H]1N2S(=O)(=O)c1cc(Br)ccc1Br	575425049	WXUKIAYGQDFDHZ-BALXVJCKSA-N	862.254	2.763	0	40	KFAB	
COc1cccc(CN2CCCN(C(C)=O)c3ccccc3CN(CC(=O)Nc3ccn(C)n3)CC2)c1	643554619	GUKDXLHRSQFMOG-UHFFFAOYSA-N	504.635	3.128	0	40	KFAB	
COC(=O)C1=C(N)n2c(s/c(=C\c3c(F)cccc3Cl)c2=O)=C(C(=O)OC)[C@H]1c1c(F)cccc1Cl	1896996	KCFYMYKXPRWYRB-KAKTVLCNSA-N	553.370	2.745	0	40	KFAB	
CCCCOC(=O)C1=C(N)n2c(s/c(=C\c3ccc(C)cc3)c2=O)=C(C(=O)OC)[C@@H]1c1ccc(C)cc1	2212690	HFQFDYSLRCKJEZ-CSMMYAOASA-N	518.635	2.947	0	40	KFAB	
CC(C)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(C)C[C@@H]4CCCO4)cc3)c2C(N)=O)C1	17113380	GRGRPDIBGVHZCK-KRWDZBQOSA-N	520.677	2.665	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CC(=O)N3CC[C@@H](CC(=O)N4CC[C@@H](O)C4)[C@@H](CCCOc4ccccc4C2)C3)cc1	77267335	XFGYLCWGXKRBPQ-KYPHJKQUSA-N	569.724	2.807	0	40	KFAB	
COc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](C(=O)O)N(C)C(=O)OC(C)(C)C)c(C)c1C	98091539	CCQFOFXVPZPGDN-MRXNPFEDSA-N	500.618	2.523	0	40	KFAB	
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC(C(=O)NCC(=O)NCc2ccc(F)cc2)CC1	101381765	NXSJSOXTHUKXMC-XMMPIXPASA-N	540.636	2.933	0	40	KFAB	
O=C(O)COc1c(Br)cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1Br	214690236	RJOTWIMUMLHTHZ-NTUHNPAUSA-N	564.208	2.570	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O	222567249	DLHLQEKQJRAQGD-DEOSSOPVSA-N	527.618	2.986	0	40	KFAB	
C[C@H](C(=O)NCCO)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1	222797253	DEPKBUOIZRANOZ-LJQANCHMSA-N	522.067	2.583	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	222980286	QDBVFUXBUSKSDR-IBGZPJMESA-N	503.621	2.905	0	40	KFAB	
CS(=O)(=O)N(CC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCCCO)c1ccccc1)Cc1ccccc1	223297571	MMRLFCDMRHOJDX-HHHXNRCGSA-N	523.655	2.717	0	40	KFAB	
CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O	223480453	FNACBRJUJKMNEA-FQEVSTJZSA-N	557.454	2.653	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225229965	ZTCIOSCRTMIYHY-ZWKOTPCHSA-N	521.611	2.695	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	225434123	KBNNVUMJENVEPB-WOJBJXKFSA-N	519.664	2.844	0	40	KFAB	
Cc1ccc(C)c(N([C@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)c1	260892412	YSEFWJGOZQKLEO-OAQYLSRUSA-N	537.704	2.828	0	40	KFAB	
CC(=O)N(C)CCC[C@H]1C(=O)N(C)CCCCN(C(=O)CN2CCCCCC2=O)CCCOc2ccccc2C(=O)N1C	643560399	WMSNKRPZENKUHT-MHZLTWQESA-N	599.773	2.638	0	40	KFAB	
CC(C)C[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCc2ccccn2)CC(=O)N[C@H](CC(C)C)C(=O)N1C	643584143	GMDLJCKXPOHFGU-ZKMPZPQNSA-N	551.688	2.683	0	40	KFAB	
CCOC(=O)CC[C@H](N[P@@](=O)(OC)[C@@H](C)NC(=O)CCCCN1C(=O)c2ccccc2C1=O)C(=O)OCC	4293615	QLPMYTASQFPPNX-GPMRLBDISA-N	553.549	2.619	0	40	KFAB	biogenic
CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=S)N2NC(=O)c2ccncc2)cc1	8869433	JHKHBIMTCITLRX-OAQYLSRUSA-N	517.567	2.934	0	40	KFAB	
Cc1c(Cl)ccc2c1NC(=O)[C@]21N[C@@H](CCC(N)=O)[C@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]21	16009807	OKVIFIZETMQGRF-JZBASNBKSA-N	502.958	2.992	0	40	KFAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)c4cc(F)c(F)cc4Cl)[C@H]3SC2)s1	17356890	UAHYTULENJCXQX-MLGOLLRUSA-N	518.976	2.923	0	40	KFAB	
CCOc1cc(C(=O)Nc2ccc(C(=O)NCCN(CC)CC)cc2)ccc1OCC(=O)N1CCOCC1	32958318	ULEVPZXSFJNLLR-UHFFFAOYSA-N	526.634	2.647	0	40	KFAB	
CCOc1ccc(Cn2c(SCC(=O)NCCc3ccc(OC)c(OC)c3)nc3c2c(=O)n(C)c(=O)n3C)cc1OCC	98005139	XAWSYGAGGPJIQU-UHFFFAOYSA-N	611.721	2.748	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OC)c3C(=O)OC)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	100150567	QFTOGXXTFZRXKS-QYAMMSNYSA-N	582.631	2.619	0	40	KFAB	
CCCCCCOc1ccc(N2C(=O)C[C@H](N(Cc3ccc(S(N)(=O)=O)cc3)C(=O)/C=C/C(=O)O)C2=O)cc1	100172363	WZQWNLMYWJXATB-NSFRLNINSA-N	557.625	2.595	0	40	KFAB	
Cc1cc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@H]2CCCO2)c2cccs2)ccc1-n1cnnn1	100337511	MYGKYTFHVYGLJL-IBVKSMDESA-N	557.640	2.847	0	40	KFAB	
CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)NC(=O)Nc3ccc4c(c3)OCCO4)CC2)cc1	103070793	BAUMCNGRUIARKR-UHFFFAOYSA-N	545.614	2.873	0	40	KFAB	
COC(=O)[C@@H]1[C@]2(C)N=c3s/c(=C\c4cc(Cl)cc(Cl)c4O)c(=O)n3[C@@H]3c4ccccc4O[C@]312	105261711	JSKDYXMZPOACEA-ZENBPXLASA-N	503.363	2.666	0	40	KFAB	
COc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1	135650113	QTYDEGCVZJFKGW-ARNLJNQMSA-N	500.599	2.913	0	40	KFAB	
CC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H](C(=O)Nc4cc(C)on4)[C@@]4(C)C=C[C@@]3(O4)[C@@H]2C(=O)NC(C)(C)C)c1	169342748	IIOSDNZJVAGURR-BXBNNYIQSA-N	506.559	2.784	0	40	KFAB	
CNS(=O)(=O)c1ccc(C)c(NC(=O)COc2ccc(S(=O)(=O)Nc3cccc(OC)c3)cc2)c1	222737719	RUDFSLFIJSZVKT-UHFFFAOYSA-N	519.601	2.730	0	40	KFAB	
C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	224071645	RLYOZRAILWIORU-INIZCTEOSA-N	507.584	2.652	0	40	KFAB	
CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	224153135	AACFJERUSZTCJX-NRFANRHFSA-N	505.637	2.722	0	40	KFAB	
O=C(NCCN1CCOCC1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1	408583490	ZZZOLOXDAGPSJL-KRWDZBQOSA-N	515.408	2.503	0	40	KFAB	
COc1ccc(CN2CCN(C(C)=O)C[C@@](O)(COc3ccc(C)cc3)C2)cc1OCCn1ccnc1	585273886	FMBHUQDTQOLYOI-MUUNZHRXSA-N	508.619	2.753	0	40	KFAB	
COc1ccc(NC(=O)CN2CCC[C@@]3(CC=CCOc4ccccc4C(=O)NCCNC3=O)C2)cc1	2037879751	NVBVRGRWULSHFP-NDEPHWFRSA-N	506.603	2.601	0	40	KFAB	
O=C(C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)N1CCN(c2nc3ccccc3s2)CC1	1325527	YIHJZICHGRLONN-UHFFFAOYSA-N	528.656	2.817	0	40	KFAB	
CCOC(=O)CNC(=O)[C@H](c1ccc(OCC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(C)c1C	6601370	LAMOFMNKIIDGEC-QHCPKHFHSA-N	553.641	2.907	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)OCO4)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	8425162	QOILFRKAJBWDCB-YLVTVWEBSA-N	508.552	2.544	0	40	KFAB	
COc1cc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)Oc3ccc(C)cc3)cc2)nc(OC)n1	12404005	IKVQSMAWFUFPOX-UHFFFAOYSA-N	500.533	2.927	0	40	KFAB	
Cc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(F)cc2)cc1	12706199	OZNIMYVHNSXFJF-GHTZIAJQSA-N	511.579	2.955	0	40	KFAB	
Cc1onc(-c2ccccc2)c1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1	13097495	YUUZQWVVXVRHMU-UHFFFAOYSA-N	512.588	2.760	0	40	KFAB	
COc1ccc(CCN2C(=O)[C@@H]3[C@H](Cc4ccccc4)N[C@]4(C(=O)Nc5ccccc54)[C@@H]3C2=O)cc1OC	16032891	FJQUVEKSRKZKKH-QXQHHZKDSA-N	511.578	2.910	0	40	KFAB	biogenic
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2)cc1	20031675	XTAXPWINYUITSS-UHFFFAOYSA-N	519.689	2.887	0	40	KFAB	
CCCc1nn(C)c2c(S)nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OCC)nc12	38384509	BGPSRMUUQQTZFB-UHFFFAOYSA-N	504.682	2.996	0	40	KFAB	in-vitro
COc1ccc(Cl)cc1S(=O)(=O)c1cnc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc1N	71771951	HORAHECQALTWRQ-UHFFFAOYSA-N	517.995	2.605	0	40	KFAB	
COc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2-c2cc(OC)ccc2OC)cc1	97985187	OSNKRMONJMNQFY-UHFFFAOYSA-N	682.781	2.975	0	40	KFAB	
CCOC(=O)C1=c2s/c(=C/c3ccc(OC)c(OC)c3)c(=O)n2C(N)=C(S(=O)(=O)c2ccccc2)[C@H]1c1ccc(OC)c(OC)c1	150495814	VGVVQIPTYNFYMD-DVFLESNOSA-N	664.758	2.843	0	40	KFAB	
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)n1	215934550	ZZVIWTJLGRFKOD-UHFFFAOYSA-N	524.024	2.952	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	222760012	PYVXMSJYEKSJAP-AWEZNQCLSA-N	530.430	2.694	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	223699354	ITVMMFLOTQVTFB-MRXNPFEDSA-N	512.028	2.677	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1	224320609	MALITKUTNBABSH-XMMPIXPASA-N	563.742	2.641	0	40	KFAB	
COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)N1C[C@@H](C(=O)NCCc2ccccc2)Oc2ccccc21	226069011	ZTSYMJNFBBWBFY-DEOSSOPVSA-N	541.601	2.608	0	40	KFAB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OC(C)=O)c(OC)c4)c(=O)n32)cc1OCC	408941116	JUWDGWPAFVDYDK-RMSJAVSJSA-N	552.605	2.749	0	40	KFAB	
CCCCCn1c(S[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2NC(C)=O)nnc1-c1ccccc1	504796637	JESOEUQUEIIHTN-XPICPDFBSA-N	576.672	2.884	0	40	KFAB	biogenic
CC[C@H]1CCCCN1C(=O)Cn1cc(I)c(=O)c(I)c1	514295826	FWBYNXZUDFFAPK-JTQLQIEISA-N	500.118	2.849	0	40	KFAB	
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@]2(C)CC(C)=C(O2)[C@@H](C)[C@H](O)[C@@]1(C)O	1529045234	JFVYXJKGJMUGRG-KSCVMBKPSA-N	715.922	2.892	0	40	KFAB	
CCN(CC)C(=O)CSc1nc2ccc(N3CCOCC3)cc2c(=O)n1Cc1ccc2c(c1)OCO2	2976199	IVFVKHBRFOSVDR-UHFFFAOYSA-N	510.616	2.971	0	40	KFAB	
COC[C@@H](C)n1c(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)nc2ccccc2c1=O	3453443	BRJLIOTVDIVNDI-QZTJIDSGSA-N	546.671	2.744	0	40	KFAB	
CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)c2C(N)=O)C1	4177754	DVDLJGBONDAGTH-UHFFFAOYSA-N	520.633	2.789	0	40	KFAB	
CC(C)(C)NC(=O)[C@H](c1ccc(F)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)c1snc(C(N)=O)c1N	6074912	WNTUUZFJHBXKCN-FQEVSTJZSA-N	527.578	2.990	0	40	KFAB	
CCO[P@](=O)(O)c1cccc(OCCOCCOCCOc2cccc([P@@](=O)(O)OCC)c2)c1	12411277	JETCBKLROCZXFQ-UHFFFAOYSA-N	518.436	2.872	0	40	KFAB	biogenic
CN(C)S(=O)(=O)c1ccc(CNC(=O)CCc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1	20032946	QFNGMPKEPBQTMM-UHFFFAOYSA-N	507.678	2.797	0	40	KFAB	
COc1ccc(S(=O)(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)cc1N1CCCC1=O	30862328	LTZNYUUKOSWBDX-UHFFFAOYSA-N	523.633	2.806	0	40	KFAB	
COc1ccccc1N1CCN(C[C@@H](O)CN2C(=O)[C@H]3C4c5ccccc5C(C(C)=O)(c5ccccc54)[C@@H]3C2=O)CC1	68606188	BSKCHUWGIPJEQQ-BOXXPKNESA-N	565.670	2.814	0	40	KFAB	
COc1ccc(NS(=O)(=O)c2cccc(NC(=S)NC(=O)c3cccc(S(=O)(=O)N(C)C)c3)c2)cc1	97982329	VJDHNNRCFBNEPC-UHFFFAOYSA-N	548.668	2.873	0	40	KFAB	
COCCN(C(=O)CSc1nnc(NC2CCCCC2)s1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	103069798	PVWNNWFPLNMNQM-UHFFFAOYSA-N	545.691	2.535	0	40	KFAB	
CO[C@@H]1[C@H](O)[C@H](O[C@@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)[C@@H](OC(C)=O)C[C@@]5(O)[C@@H]4CC[C@@H]3C2)O[C@@H](C)[C@H]1O	118931133	UZQOZJNEDXAJEZ-XIYRFFNKSA-N	592.726	2.652	0	40	KFAB	
CCCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	224014310	HOHQZBOOYQPLDR-JOCHJYFZSA-N	533.647	2.914	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1	224312416	RRXIPVWDMRQVKS-UHFFFAOYSA-N	563.742	2.641	0	40	KFAB	
CCOc1ccccc1N(CCCC(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)S(C)(=O)=O	224336214	QDMDVFUGIAVLAY-UHFFFAOYSA-N	553.703	2.611	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	225514650	OGLAENVGOWNMRD-VWLOTQADSA-N	526.634	2.825	0	40	KFAB	
CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	225687905	KKAWSSMOKHBYLQ-SFHVURJKSA-N	510.607	2.767	0	40	KFAB	
CC(=O)Nc1ccc(CN2CCN3C(=O)c4ccccc4OCC[C@@H]4CC=C[C@@H](CNC(=O)[C@@H]3C2)O4)cc1	253405026	RRGHUBZXAHPFON-GNKBHMEESA-N	518.614	2.584	0	40	KFAB	
CO[C@@H]1[C@H](O)[C@H](C)O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@H]4[C@H]3CC[C@]3(C)[C@H](C5=CC(=O)OC5)[C@H](OC(C)=O)C[C@]43O)C2)[C@@H]1O	257347134	UZQOZJNEDXAJEZ-DSLREKPJSA-N	592.726	2.652	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)[C@H](C)C(=O)NC(C)C)c1	260727269	IVFRBFUQMSKFKH-LJQANCHMSA-N	505.637	2.720	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OCC)cc1	409019977	LEQBBWBGVWLSAH-BFOKUZPWSA-N	635.739	2.833	0	40	KFAB	
CCOC(=O)COc1cccc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)c1	409034019	GINRKONMUHTILX-INJUALFYSA-N	506.580	2.740	0	40	KFAB	
CC[C@H](C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCOc2ccc(F)cc2)NC(=O)c2ccccc2OC[C@@H](CC(C)C)NC1=O	643564348	DYRFVFIQBRRARM-SIKUFVKPSA-N	584.689	2.964	0	40	KFAB	
Cc1ccc(S(=O)(=O)CCNC(=O)[C@@H]2CCC(=O)NCCCCCOc3ccc(Cl)cc3C(=O)N2)cc1	643571038	SIYDUDXJIWHHQD-QFIPXVFZSA-N	550.077	2.796	0	40	KFAB	
CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NC2CCN(Cc3ccccc3)CC2)CC(=O)N[C@@H](Cc2ccccc2)C1=O	643582616	QWZPTUOABMFQIK-KYJUHHDHSA-N	611.743	2.534	0	40	KFAB	
CCN(C(=O)CSc1nc2sc3c(c2c(=O)n1CC)CCCC3)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	3431662	MJQLJVKCMXNQHF-UHFFFAOYSA-N	566.709	2.982	0	40	KFAB	
Cc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)[C@H](C(=O)NC[C@@H]3CCCO3)c3ccco3)n2)o1	12716754	WMSORWXFVJMXLR-JTSKRJEESA-N	510.576	2.961	0	40	KFAB	
COC(=O)[C@@]1(CCSC)N[C@@H](c2ccccc2F)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21	20150776	XHKULFIEMQMMNF-PDFGSZSQSA-N	500.548	2.712	0	40	KFAB	
NC(=O)c1nsc(C(=O)N(Cc2ccc(F)cc2)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)c1N	38144982	KWVLIBJWGWINLN-GHTZIAJQSA-N	529.569	2.781	0	40	KFAB	
CCC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)co2)s1	97990826	UZUFYUGVBNANFV-UHFFFAOYSA-N	524.602	2.602	0	40	KFAB	
COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(Cc2ccc3c(c2)OCO3)C(=O)CNC(=O)c2ccco2)cc1OC	100413040	XHDGESRBFGLGKE-LYZGTLIUSA-N	579.606	2.821	0	40	KFAB	
COc1ccc(OC)c(C[C@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)c1	100468883	KMWXZVNWGRSGRR-QFIPXVFZSA-N	557.591	2.739	0	40	KFAB	
CCOCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222780202	BEIXDJVYDZQLLI-OAQYLSRUSA-N	582.119	2.700	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccc(F)cc2)cc1	224439942	XVTCADCRMMJYBW-UHFFFAOYSA-N	591.683	2.546	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	225033780	DNUXYEAYMDXTFK-RBUKOAKNSA-N	503.621	2.822	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/[C@@H]3C(=O)N(c4ccccc4)N=C3C)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1	409013542	BFNGVLGVKAZESE-PXZVDUBXSA-N	590.658	2.815	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCCC4)c(OCC)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	409157851	QJZBMZHCIDFINT-DVUZPASPSA-N	619.696	2.927	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)OC)cc3)c(=O)n2[C@H]1c1ccc(C)cc1	654857	FAUPKXWBCBEVSZ-WNOSOOIWSA-N	506.580	2.659	0	40	KFAB	
O=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)N1CCN(c2nc3ccccc3s2)CC1	3258619	KNHFFGGTNZZOAU-UHFFFAOYSA-N	507.037	2.933	0	40	KFAB	
CCC[C@@H]1O[C@@H]2C[C@@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@H]4[C@H](O)C[C@]3(C)[C@]2(C(=O)COS(C)(=O)=O)O1	6501236	UNRWYSJKJKUNPJ-GNDGCSIISA-N	508.633	2.701	0	40	KFAB	
CCOC(=O)CNC(=O)[C@@H](c1ccc(OCC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)cc1C	6601630	JATASUGJXCJNNS-HSZRJFAPSA-N	553.641	2.907	0	40	KFAB	
CC(C)CN(C(=O)CN(C)C(=O)c1cc(Cl)nc2ccccc12)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	32666209	JRWGTVPJXPOKTL-UHFFFAOYSA-N	515.014	2.738	0	40	KFAB	
CN(C(=O)COC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)[C@H]1CCS(=O)(=O)C1	97979452	QHBAJNNYZPEDAR-LEQVUBRHSA-N	547.589	2.848	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(N4CCOCC4)o3)c(=O)n2[C@@H]1c1ccccc1OC	100654864	PSSKWJHHOIHPJJ-VOSMRYOYSA-N	588.480	2.999	0	40	KFAB	
COc1ccc(OC)c(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	224296482	QIAQPBVFVRQHNP-UHFFFAOYSA-N	663.771	2.896	0	40	KFAB	
O=C(COc1ccc(N2C[C@@H](C(=O)NCCN3CCOCC3)CC2=O)cc1)Nc1cccc(C(F)(F)F)c1	408574181	CTQCPGHQMOIHFY-SFHVURJKSA-N	534.535	2.524	0	40	KFAB	
CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@H](C)C4)cc3)cc2)s1	5493747	NBXMBNZNBOZDPK-IYBDPMFKSA-N	565.699	2.952	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)[C@H](C)C(=O)NCCC(C)C)n2)cc1OC	6134045	WYTHKWVQTNHVGR-QGZVFWFLSA-N	500.625	2.998	0	40	KFAB	
COCCn1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCC(Cc2ccccc2)CC1	6239209	MDZRBEWVROUPPA-VWLOTQADSA-N	502.575	2.934	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(Cc3ccc4c(c3)OCO4)[C@@H](C(=O)NC[C@@H]3CCCO3)c3ccco3)n2)cc1	7060749	ADJGNOQRSAYVFB-WXVAWEFUSA-N	574.594	2.736	0	40	KFAB	
COCCNC(=O)[C@@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(C)c1C	12467344	RPEGHNOCRCYTFT-OAQYLSRUSA-N	511.604	2.600	0	40	KFAB	
CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O	12532667	GIBLWHDVLIFQBD-STIKNRRDSA-N	505.593	2.981	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O	60028289	PMTKCZKOEVRNKU-UHFFFAOYSA-N	561.613	2.670	0	40	KFAB	
Cc1cccc(N2CCN(S(=O)(=O)c3nn(C)cc3C(=O)Nc3ccc4c(c3)OCCO4)CC2)c1C	67338133	YKZWYYSEACEQQG-UHFFFAOYSA-N	511.604	2.571	0	40	KFAB	
Cn1c(=O)c2c(nc(NCCc3c[nH]c4ccccc34)n2CC(=O)NCC[C@@H]2C=Nc3ccccc32)n(C)c1=O	100432770	HOYJIGPTLWFQQR-GOSISDBHSA-N	538.612	2.576	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	222748883	VRWSOFWSDBSKBI-CQSZACIVSA-N	532.446	2.940	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O	223986260	CJILFEKBMRFROY-MRXNPFEDSA-N	573.453	2.619	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCC2)c1	224031906	JNPRYVQXSGBXOM-IBGZPJMESA-N	545.658	2.709	0	40	KFAB	
CC[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O	224393716	VMUCTUOKSRYZSZ-HSZRJFAPSA-N	541.667	2.740	0	40	KFAB	
COc1cccc(N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)S(=O)(=O)c2ccccc2)c1	409110309	BLISRCASBFOAJV-UHFFFAOYSA-N	503.602	2.925	0	40	KFAB	
CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)NCCOCc2ccccc2Cl)NC(=O)c2ccccc2OCCN(C)C1=O	643578621	ALQWHYPDEFHFHV-ZEQRLZLVSA-N	573.090	2.543	0	40	KFAB	
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(Nc2cc(CC3CCNCC3)ncn2)nc1)C(=O)O	2037879565	DSNRMHAARSBXHY-UIOOFZCWSA-N	589.697	2.820	0	40	KFAB	
COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1OC	3329647	UOQLYYHJMZEIQC-IZZDOVSWSA-N	510.590	2.777	0	40	KFAB	
C[C@H](C(=O)OCC(=O)Nc1ccc(F)cc1)N1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccc(F)cc3)cc2C1=O	4352821	IQUYVVXJHYXRLY-OAHLLOKOSA-N	565.485	2.927	0	40	KFAB	
CCCn1c(SCC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)nc2c1c(=O)n(C)c(=O)n2C	6162572	XQIDVDCJAXVZOO-UHFFFAOYSA-N	500.606	2.707	0	40	KFAB	
O=C(Nc1c2c(nn1-c1cccc(Cl)c1)C[S@@](=O)C2)c1ccc(S(=O)(=O)N2CCOCC2)cc1	6208146	BWCSDXZXQRQGPJ-MGBGTMOVSA-N	521.020	2.561	0	40	KFAB	
O=C(Nc1c2c(nn1-c1cccc(Cl)c1)C[S@](=O)C2)c1ccc(S(=O)(=O)N2CCOCC2)cc1	6208147	BWCSDXZXQRQGPJ-XIFFEERXSA-N	521.020	2.561	0	40	KFAB	
CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccccc2C(=O)NCc2cccnc2)Oc2ccc(Cl)cc21	20482006	QYWGACWZYUZASL-NRFANRHFSA-N	500.964	2.831	0	40	KFAB	
CCOc1ccc(CCNC(=O)COC(=O)c2ccc3c(c2)C(=O)N(CCCOC)C3=O)cc1OCC	24749517	AEJLUVTZUZIVDC-UHFFFAOYSA-N	512.559	2.632	0	40	KFAB	
Cc1cccn2c(=O)c3c(nc12)N1CCc2ccccc2[C@@H]1[C@]1(C3)C(=O)NC(=O)N(CCc2ccccc2)C1=O	97955827	RBGHWCNEXVXEIV-WBBHLRKXSA-N	533.588	2.970	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@@H](C(=O)NC3CCCCC3)c3ccc(F)cc3)n2)cc1OC	100276783	GGPLKJCTRKMSPV-GDLZYMKVSA-N	609.703	2.847	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	222871379	MEDOSHBHBGVCPN-SANMLTNESA-N	556.660	2.833	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1ccc(OC)cc1)[C@@H](C)C(=O)NC(C)(C)C)c1ccc2c(c1)OCCO2	223081213	UVAIXKIXJWFWNC-IBGZPJMESA-N	547.674	2.955	0	40	KFAB	
COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NC[C@@H]3COc4ccccc4O3)Oc3cc(C)ccc32)cc1	225269016	KXLVRYIFMHGQQF-CLOONOSVSA-N	510.568	2.916	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	260880287	BZKXMFCYJYTQFF-UXHICEINSA-N	517.648	2.864	0	40	KFAB	
COc1ccc(-c2cc(C(=O)N3CCC4(CCCCn5cc(nn5)COCCNC4=O)CC3)on2)cc1	643563899	GZUNZZSQUDZRLX-UHFFFAOYSA-N	508.579	2.681	0	40	KFAB	
O=C(CN1CCCCCCOc2ccccc2Nc2ncccc2C1=O)NCCS(=O)(=O)N1CCCC1	643585337	ZZTQKISPQUAQLX-UHFFFAOYSA-N	529.663	2.762	0	40	KFAB	
O=c1[nH]c2cc3c(cc2cc1CN(Cc1nnnn1Cc1ccc(F)cc1)C[C@H]1CCCO1)OCCO3	1373936	MRMYGSIBUXHAQF-OAQYLSRUSA-N	506.538	2.654	0	40	KFAB	
CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCN(C(C)=O)C3)cc1	3007294	VAOGMYSTSTXPIH-UHFFFAOYSA-N	506.650	2.815	0	40	KFAB	
CCOc1ccc(N(CC(=O)NC2CCCC2)C(=O)Cn2nnc(-c3ccc(OC)c(OC)c3)n2)cc1	6600891	OLOYLWHFLUEPNL-UHFFFAOYSA-N	508.579	2.848	0	40	KFAB	
COc1ccc(CN(CC(=O)NC2CCCCC2)C(=O)C[S@](=O)CC(=O)Nc2ccc3c(c2)OCO3)cc1	6973472	NIYKFRDBMDBMMC-LHEWISCISA-N	543.642	2.589	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)C2)cc1	8431383	NYIIAKAHUDQFAG-SFHVURJKSA-N	515.617	2.625	0	40	KFAB	
COC(=O)COc1c(I)cc(/C=C2\N=C(C)OC2=O)cc1I	8442426	NHZZWFSGCLKVKR-WZUFQYTHSA-N	527.052	2.764	0	40	KFAB	
O=C(CCCn1c(=O)c2ccccc2n(CC(=O)NCc2ccccc2Cl)c1=O)NCc1ccco1	9616337	RTHSGKHKGILTBO-UHFFFAOYSA-N	508.962	2.823	0	40	KFAB	
Cc1cc(C)c(NC(=O)CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)c(C)c1	12545579	CWUNHLFGNDRZNG-UHFFFAOYSA-N	514.648	2.601	0	40	KFAB	
CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O	67910576	UVBUBMSSQKOIBE-UWCNXKJPSA-N	721.838	2.564	0	40	KFAB	biogenic,in-vitro
CCCCCn1c(S[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2NC(C)=O)nc2ccccc21	70712109	JMXRWUUMWFWGPS-JYSSUKAJSA-N	549.646	2.975	0	40	KFAB	biogenic
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)Cn4nc(C(F)(F)F)c(Br)c4C)[C@H]3SC2)s1	97948900	JVWAGKKRCOUEJZ-XHDPSFHLSA-N	613.463	2.664	0	40	KFAB	
CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)sc2c1CCC2	103114484	CFYUYVAJPBSRLM-UHFFFAOYSA-N	557.046	2.883	0	40	KFAB	
CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OC(C)C)=C(C)N=3)ccc1OCC(=O)N1CCOCC1	409153254	MGYFEZXBVIZWCT-ZNRKBWGRSA-N	635.739	2.832	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OCCCn3cc(C)cn3)c(OC)c2)C[C@](O)(COc2ccccc2)C1	585278908	AWTRJSWHQVJSMN-SSEXGKCCSA-N	552.672	2.770	0	40	KFAB	
CC(=O)N(C)CCC[C@H]1C(=O)N(C)CCCCN(C(=O)CN2CCC(C)CC2)CCCOc2ccccc2C(=O)N1C	643560209	GCLHRIFOMNOYGI-NDEPHWFRSA-N	585.790	2.967	0	40	KFAB	
CC(C)[C@H](O)c1nc2ccccc2c(=O)n1[C@@H]1C[C@@]2(OC1=O)c1ccccc1N1C(=O)C(C)(C)N(O)[C@H]12	1775964161	UWJPYPZTQNRUNI-MYLOTTRVSA-N	504.543	2.626	0	40	KFAB	biogenic,in-vitro
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1	627810	IWZNBSOKVWMWKF-YMSBRDKKSA-N	522.579	2.741	0	40	KFAB	
Cc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@@H](C(=O)NC3CCCC3)c3cccs3)n2)o1	886263	BDQVEBIEYIKORG-XMMPIXPASA-N	541.678	2.654	0	40	KFAB	
O=C1CN(C(=O)COC(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)c2ccccc2N1	3379104	MAKHMWVGFUZMOU-UHFFFAOYSA-N	525.505	2.635	0	40	KFAB	
NC(=O)c1nsc(C(=O)N(Cc2cccnc2)[C@H](C(=O)NCc2ccc(F)cc2)c2ccc(O)cc2)c1N	6445127	ZBUFKIPJMMZHBH-QFIPXVFZSA-N	534.573	2.764	0	40	KFAB	
COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCC2)c2ccc(O)cc2)cc1	6973686	IXDPXJTYZPMWLR-NRFANRHFSA-N	509.588	2.985	0	40	KFAB	
CCOC(=O)[C@](NC(=O)CC)(Nc1ccc([C@@](O)(C(=O)OCC)C(F)(F)F)cc1OC)C(F)(F)F	8445391	FVDBHHBVHRIXCE-QZTJIDSGSA-N	518.407	2.768	0	40	KFAB	
Cc1n[nH]c(=O)c2c(NC(=O)COC(=O)c3cccc(S(=O)(=O)Nc4ccc(F)cc4)c3)oc(C)c12	12684243	RTFKYABLRZAFSF-UHFFFAOYSA-N	514.491	2.868	0	40	KFAB	
CCOC(=O)c1c(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)sc2c1CC[C@H](C)C2	13141095	KTNZDGRSBTZWCQ-KRWDZBQOSA-N	505.662	2.995	0	40	KFAB	
Cc1ccc2cc(CN(CCN3CCOCC3)Cc3nnnn3CCc3ccccc3)c(=O)[nH]c2c1C	20109341	HORNHNDKQLCTLZ-UHFFFAOYSA-N	501.635	2.709	0	40	KFAB	
NS(=O)(=O)c1ccc(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	22832217	MAMDQKDJOYOJAY-UHFFFAOYSA-N	508.021	2.860	0	40	KFAB	
COC(=O)c1ccc(N(C(=O)CNC(=O)c2ccco2)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(OC)c(OC)c2)cc1	38145967	AYDXLKZVIKXOTA-WXVAWEFUSA-N	579.606	2.883	0	40	KFAB	
O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1	59837641	GXIAJMYAXQPFMR-UHFFFAOYSA-N	622.563	2.977	0	40	KFAB	
Cn1cc(C(=O)N2CCN(C3CCCCC3)CC2)c(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)n1	67337195	SPHPPMABLXUWDY-UHFFFAOYSA-N	535.114	2.675	0	40	KFAB	
COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(C)c2)cc1OC	100309685	ZZGSXYJFAFTYGO-FDDCHVKYSA-N	553.641	2.833	0	40	KFAB	
CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223101211	ATCUHIKJLIEOMG-QFIPXVFZSA-N	517.648	2.866	0	40	KFAB	
CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O	224078362	ZMOFISMKVXLNTM-LJQANCHMSA-N	503.621	2.557	0	40	KFAB	
O=C1[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccc(OC(F)(F)F)cc3)C2)C(=O)N1Cc1ccccc1Cl	225391695	SUPOGDOHNQGJRS-XLIONFOSSA-N	509.912	2.797	0	40	KFAB	biogenic,in-vitro
CCOC(=O)[C@H]1[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)OCC)[C@](O)(C(F)(F)F)N[C@]1(O)C(F)(F)F	248341800	ZVQCIDVGBSULAA-VOGVJGKGSA-N	507.811	2.887	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	260940608	IRVQORWFKSSMNY-OALUTQOASA-N	522.643	2.779	0	40	KFAB	
O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)NCCN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O	524731365	UJCJHZBDODYSTF-CGQTXMLISA-N	537.620	2.589	0	40	KFAB	biogenic
CC[C@@]1(C)[C@H]2[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@@H]3[C@@H](C[C@@H](O)[C@@H]4[C@H](/C(C)=C\CC=C(C)C)CC[C@@]34C)[C@]2(C)CC[C@H]1O	2060999659	YCTQSBSHNMQDKH-UZMOVMAVSA-N	767.010	2.953	0	40	KFAB	
CC(C)CCNC(=O)[C@@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCO2	6134214	FXJZONBUSCMHSG-OAQYLSRUSA-N	525.587	2.809	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(NC(=O)CNc2cc(S(=O)(=O)N3CCCC3)ccc2OCC(F)(F)F)cc1	8687894	IFELNMZHPRGXOR-UHFFFAOYSA-N	564.608	2.713	0	40	KFAB	
COC(=O)c1cc(NC(=O)C[C@@H]2C(=O)N[C@@H]3CCCC[C@@H]3N2C(=O)NC2CCCCC2)cc(C(=O)OC)c1	9926940	NYAALBCKLNZTFN-BHIFYINESA-N	528.606	2.742	0	40	KFAB	
CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1	12540626	YDFFQRFAXYSRFT-HXUWFJFHSA-N	500.646	2.994	0	40	KFAB	
COc1ccccc1NS(=O)(=O)c1ccc(Cl)c(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c1	12546658	DCKOXRQGUDVKKD-RZMCSOMXSA-N	515.975	2.895	0	40	KFAB	
COc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2S(=O)(=O)c2ccc(CNC(C)=O)cc2)cc1	13011942	BLDMJKLUCAEWGC-XMMPIXPASA-N	522.583	2.876	0	40	KFAB	
CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)NC1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1	13565702	IWQWLAOQWLVELW-HXUWFJFHSA-N	515.529	2.861	0	40	KFAB	
CCCCn1c(N)c(N(CC(C)C)C(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)c(=O)[nH]c1=O	15940791	FWNPYXCDXVJSAB-UHFFFAOYSA-N	519.668	2.786	0	40	KFAB	
COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4ccccc4OC)CC3)cc2c1	19940667	NIBCWZFHTOKMQF-LVXARBLLSA-N	531.617	2.622	0	40	KFAB	
Cc1ccccc1CN(CC(=O)NCc1ccc(S(N)(=O)=O)cc1)S(=O)(=O)c1ccc(Cl)cc1	20030755	GOTUSNIUIFAQDA-UHFFFAOYSA-N	522.048	2.803	0	40	KFAB	
COc1ccc(COC[C@@H](O)CN2CCN(CCN3C(=O)c4cccc5cccc(c45)C3=O)CC2)cc1OC	22915533	QYLUIQWIXHTBOE-QHCPKHFHSA-N	533.625	2.648	0	40	KFAB	
O=C(O)COCC(=O)NCCCOCCOCCOCCCNC(=O)OCC1c2ccccc2-c2ccccc21	97950263	LGHHBJVGSWYBEX-UHFFFAOYSA-N	558.628	2.573	0	40	KFAB	
COc1ccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)cc1OC	100471994	PWFQDXMLYDPZMJ-HXUWFJFHSA-N	557.591	2.739	0	40	KFAB	
COc1cc(NC(=O)Cn2c(=O)n(CCCCC(=O)NCc3ccco3)c(=O)c3ccccc32)cc(OC)c1	101331492	JEYDMUSJNNQDFJ-UHFFFAOYSA-N	534.569	2.899	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1	103034191	XIEWCCGSTZWKKG-UHFFFAOYSA-N	571.677	2.715	0	40	KFAB	
Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc2C)c1	224452967	PRBYSMRGXQQSIN-UHFFFAOYSA-N	573.693	2.934	0	40	KFAB	
COC(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1	408676002	CHXDGMCEEITAHC-LEABRGHYSA-N	524.529	2.847	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C)c4ccccc43)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	409120563	UGZGJPKUVNEXRZ-FEYWKWKCSA-N	533.606	2.552	0	40	KFAB	
COc1cc([C@@H](CC(=O)N[C@@H](CCSC)C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c2oc(C)cc(=O)c2O)ccc1O	604406113	WWOXLQAIMRSVBZ-PNJWGLBASA-N	623.728	2.936	0	40	KFAB	biogenic
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)cc2)n1	6156044	ZMBOWTQMSVCZKU-ROUUACIJSA-N	545.643	2.636	0	40	KFAB	
COc1ccc(/C=C/C(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1S(=O)(=O)N1CCOCC1	12531863	YEABQCMPPCNTLU-XVNBXDOJSA-N	522.023	2.858	0	40	KFAB	
C[C@H](C(=O)NC1CCCC1)N(C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1ccc(F)cc1	12709860	PWOJBYPTQSNMDR-RJDSNXINSA-N	517.579	2.722	0	40	KFAB	
CCCCN(C(=O)NCCCCCCNC(=O)N(CCCC)[C@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1	38140415	SEJKVRNPINWFGY-VXKWHMMOSA-N	550.788	2.544	0	40	KFAB	
COc1ccc(CCN(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)cc1OC	38145056	UPAQIGNISDYHEB-YADARESESA-N	585.658	2.702	0	40	KFAB	
O=C(NCc1cccc(CN2CCOCC2)c1)c1ccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1	60061156	WLNZESXHBAYYTN-UHFFFAOYSA-N	548.709	2.955	0	40	KFAB	
COc1ccc(/C=C2/SC(=O)N(CCNC(=O)[C@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)C2=O)cc1OC	103025508	LELMMVZCQPKHML-FZJZADEZSA-N	553.593	2.681	0	40	KFAB	
O=C(CSC(=S)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1	113480851	RAWQLTRWUUNYFT-IAGOWNOFSA-N	556.695	2.515	0	40	KFAB	
Cc1c(CC(=O)NCC(=O)NCC(=O)NC[C@H]2CC[C@H](C(=O)N[C@@H](CSCc3ccccc3)C(=O)NCCCC(=O)O)CC2)c(=O)oc2cc(O)c(Cl)cc12	150525022	ARLIQPHRFLRSQC-ZBAJWAEMSA-N	800.331	2.557	0	40	KFAB	
COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c(Br)c(Br)c1O	214261473	PPQSXMWOXYHZQM-YRNVUSSQSA-N	536.198	2.821	0	40	KFAB	
CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	225263947	DSTKVDPDYOYSFQ-OAQYLSRUSA-N	523.627	2.943	0	40	KFAB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NCCSc1ncn[nH]1	226004648	HANOJKKKCFFNSR-UHFFFAOYSA-N	510.439	2.667	0	40	KFAB	
CCCC[Sn]1(CCCC)O[C@@H]2[C@@H](n3c(Br)c(C(N)=O)c4c(N)ncnc43)O[C@@H](CO)[C@H]2O1	263606298	QSLNHHPPKCRZDT-VZAMJDCKSA-N	619.105	2.591	0	40	KFAB	
C[C@H](C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O	408702335	BKCNNQMNSMSNDM-MRXNPFEDSA-N	513.538	2.980	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCC(=O)O)c3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	408833285	SVCHPPCAXQOUAW-QDNAUZDWSA-N	552.605	2.669	0	40	KFAB	
COc1cc([C@@H](CC(=O)NC[C@H](c2ccccc2)N2CCN(C)CC2)c2oc(C)cc(=O)c2O)ccc1O	604405149	XLJNRWBCEVEUGD-DHIUTWEWSA-N	521.614	2.995	0	40	KFAB	biogenic
O=C(CN1CCc2ccccc2C1)N1CCCCC2(CCN(Cc3ccccc3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1	643579056	RMKLVGLRLSKWRU-XZWHSSHBSA-N	563.739	2.995	0	40	KFAB	
Cc1ccccc1C(=O)N1CCCCC2(CCN(Cc3ccccn3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1	643580252	AAZRFRLYJITNGO-IZZNHLLZSA-N	509.647	2.954	0	40	KFAB	
CC(=O)N[C@H](C(=O)N1CC[C@H]2NC(=O)[C@H](Cc3ccccc3)NC(=O)C3(CC=CC[C@@H]2C1)CCOCC3)[C@@H](C)OC(C)(C)C	2037829049	HPSRZSHLKHSGCH-RVIXRODBSA-N	610.796	2.902	0	40	KFAB	
CCCCOC(=O)C1=C(N)OC(C)=C(C(=O)OCCOC)[C@]12C(=O)Nc1ccc(Br)cc12	9695183	ZOROAHKWATWFBN-QFIPXVFZSA-N	509.353	2.646	0	40	KFAB	
COc1ccc(NC(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)cc1S(=O)(=O)N1CCCCC1	12861687	LBAZSBMDNLWUQC-GKVSMKOHSA-N	520.652	2.945	0	40	KFAB	
COc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@H](C)C4)cc3)o2)c(OC)c1	17247346	YTDWMLBHSXUVAI-GASCZTMLSA-N	502.549	2.804	0	40	KFAB	
CN(CC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)S(=O)(=O)c1ccc2ccccc2c1	20030917	UHXFIJQMMSYNHA-UHFFFAOYSA-N	515.657	2.951	0	40	KFAB	
CCOC(=O)c1sc2c(OC[C@H](O)CN3CCOCC3)c(Br)ccc2c1NC(C)=O	20458588	RRLLRALBSLSMOM-CYBMUJFWSA-N	501.399	2.871	0	40	KFAB	
COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2c[nH]c3ccccc23)c1	38145172	PIRNECKNMJAWMT-SBUREZEXSA-N	548.625	2.997	0	40	KFAB	
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cccc(C)c3C)S(C)(=O)=O)cc2)n1	44900666	CARQKTNCEPZXPP-UHFFFAOYSA-N	517.633	2.916	0	40	KFAB	
O=c1cccc2n1C[C@H]1C[C@@H]2CN(C[C@H]2CN3CC[C@H]2C[C@@H]3CNS(=O)(=O)c2ccc(Cl)cc2)C1	67870828	RNENNUBHHJFQFW-KHYDEXNFSA-N	517.095	2.610	0	40	KFAB	biogenic,in-vitro
COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)cc2)cc1OC	113634204	NHKJYFKURANODR-UHFFFAOYSA-N	573.693	2.984	0	40	KFAB	
Cc1noc(CCCn2c(=O)c3cc4c(cc3n(CC(=O)Nc3ccc(Br)cc3)c2=O)OCO4)n1	200199464	MKNGUHZLBBQAMM-UHFFFAOYSA-N	542.346	2.617	0	40	KFAB	
C[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(Br)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	224104971	JFVRHQOKTZKNLC-HNNXBMFYSA-N	536.448	2.926	0	40	KFAB	
CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O	225026285	AMIYONTUFQVJSG-SFHVURJKSA-N	503.621	2.607	0	40	KFAB	
CCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	225383534	AVRPPOKYBGFYHH-JOCHJYFZSA-N	522.643	2.781	0	40	KFAB	
CCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O	225384077	CTESGPQWSQUOQM-QFIPXVFZSA-N	515.632	2.954	0	40	KFAB	
C[C@@H]1C2=CC(=O)O[C@]2(O)C[C@@H]2[C@@H]1[C@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)[C@]1(O)[C@]2(C)CC[C@@H](O)[C@@]1(C)C(=O)O	253388447	WHOBGBIOIFGGMR-BVBWZCCDSA-N	620.651	2.878	0	40	KFAB	biogenic,in-vitro
CC(C)OC(=O)[C@H](C)N[P@](=O)(COC[C@@]1(F)O[C@H](n2ccc(O)nc2=O)C(C)(C)[C@@H]1O)Oc1ccccc1	299754561	RDKOCGVFLJEDRE-GGAAFNPBSA-N	557.512	2.707	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/[C@@H]3C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)c(=O)n2[C@@H]1c1ccc(C)cc1	408834688	UYZBVYFZORVSJU-ICSSKCDFSA-N	595.102	2.776	0	40	KFAB	
COc1ccc(CCCNC(=O)[C@@H]2CC(=O)NC3(CCCC3)C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCCOc3ccccc3C(=O)N2)cc1OC	643576484	LQVPWEIVOMPHSQ-CONSDPRKSA-N	727.859	2.997	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)OCO4)c(=O)n2[C@H]1c1cc(OC)ccc1OC	6489299	OLHWOCDKJXJGIT-KIHONOKQSA-N	508.552	2.544	0	40	KFAB	
CCN(C(=O)COC(=O)c1ccccc1NCc1ccco1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	32666515	MZRBMBGFVMWATB-UHFFFAOYSA-N	517.542	2.582	0	40	KFAB	
COc1cc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)ccc1-n1cnnn1	100336805	IOQKLWVQTPHLIQ-RBISFHTESA-N	585.600	2.624	0	40	KFAB	
COc1ccccc1-n1c(CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)nnc1SCC(=O)Nc1nccs1	100837841	CDCIPARJWSCFQN-UHFFFAOYSA-N	587.709	2.644	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccc(Cl)cc5)sc4n3)CC2)cc1	102350145	YITUATAGEMFWNL-UHFFFAOYSA-N	532.047	2.987	0	40	KFAB	
CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	222393480	ZVIWEOJOJGOVEB-QFIPXVFZSA-N	517.648	2.864	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O	222422841	YMEKFMGARZVFPH-KRWDZBQOSA-N	510.454	2.995	0	40	KFAB	
CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	222916668	NOQKWNXMGZXKRU-QFIPXVFZSA-N	519.664	2.844	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)[C@@H](C)C(=O)NC(C)(C)C)cc1	223078635	QETMNLLNGAWUTM-IBGZPJMESA-N	504.653	2.640	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223829342	MAQPPRNUWIXAJW-SFHVURJKSA-N	521.611	2.697	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1	225492456	ZCQJADTVAXDEIA-CQSZACIVSA-N	516.845	2.886	0	40	KFAB	
COc1ccc(OC)c(N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)c1	225523370	LXJIADWJKCZQQJ-IBGZPJMESA-N	505.637	2.720	0	40	KFAB	
S=C(NCc1ccc2c(c1)OCCO2)Nc1nc(N2CCOCC2)cc(N2CCN(c3ccccc3)CC2)n1	226014719	UQFQBMUCWNZWQY-UHFFFAOYSA-N	547.685	2.898	0	40	KFAB	
COCc1cn([C@@H]2CC[C@H]3CCOc4ccccc4C(=O)N4CCN(C5CCC(C)CC5)C[C@H]4C(=O)NC[C@H]2O3)nn1	253407892	WWNWYSPTBYNCEO-WAKZKTIYSA-N	580.730	2.817	0	40	KFAB	
COc1ccc(OC)c(S(=O)(=O)N2CCC(COc3ccc(F)cc3)(CC(=O)N3CCN(C)CC3)CC2)c1	257230051	GAPARIPZAPOJLG-UHFFFAOYSA-N	549.665	2.857	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccc(Cl)cc43)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	409113464	GDWGUDQWPPDBFK-SADKCHQCSA-N	539.997	2.791	0	40	KFAB	
CCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)c2C(=O)OC)C1	3007018	YWNXNWPFTFWPRQ-HZPDHXFCSA-N	521.661	2.963	0	40	KFAB	
CC(C)CN(C(=O)COC(=O)CCc1c[nH]c2ccccc12)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	12903232	QWYBEUJLTPGLAM-UHFFFAOYSA-N	517.586	2.813	0	40	KFAB	
COCCn1c(N)c(N(Cc2ccccc2)C(=O)[C@H](C)Oc2ccc(Br)cc2)c(=O)[nH]c1=O	12922866	DBRFWMJLJHFGMI-HNNXBMFYSA-N	517.380	2.528	0	40	KFAB	
COc1ccc(OC)c(N(CC(=O)NCCCN2CCCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	13676078	GYNNEKVWVNCLLV-UHFFFAOYSA-N	521.636	2.518	0	40	KFAB	
O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NCCN1C(=O)S/C(=C\c2ccc(OC(F)F)cc2)C1=O	14128633	SRORXRVNQMEULH-ARAOOJBISA-N	519.526	2.782	0	40	KFAB	
O=c1[nH]c2cc3c(cc2cc1CN(Cc1ccc(F)cc1)C(=S)NCCCN1CCOCC1)OCO3	19940511	NYXIJECKLKNJOL-UHFFFAOYSA-N	512.607	2.995	0	40	KFAB	
Cc1cccc(N(C(=O)C[S@@](=O)CC(=O)Nc2ccc3c(c2)OCO3)[C@H](C)C(=O)NC2CCCC2)c1	19941209	JCIFNFBIRDXASH-NNIOICJLSA-N	513.616	2.891	0	40	KFAB	
CCCCOc1ccc(C(=O)N(C)CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)cc1	32972020	BQDCWJOGWJTOOG-UHFFFAOYSA-N	501.628	2.715	0	40	KFAB	
COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(Cc2cccs2)C(=O)c2snc(C(N)=O)c2N)cc1OC	38145151	JWSABGHLQULOKB-QVKFZJNVSA-N	559.670	2.582	0	40	KFAB	
COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1	60028876	YPTKEXYGPCPNIC-XMMPIXPASA-N	545.639	2.977	0	40	KFAB	
CCOc1ccccc1N1CCN(S(=O)(=O)c2nn(C)cc2C(=O)N(CC)Cc2ccccc2)CC1	67336894	HKJIMPMBRYJCJZ-UHFFFAOYSA-N	511.648	2.992	0	40	KFAB	
Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCC(C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)O)CC2)C(C)C)cc1	70687034	LVRWMESCLOLWAH-UIOOFZCWSA-N	568.696	2.830	0	40	KFAB	biogenic
CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)CCOCCOCCOCCON)C(C)C	206136627	OJYZGXVPCDZLCK-KVEFUIBJSA-N	923.203	2.756	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O	222559399	VWIQMEHFBNYRMB-CQSZACIVSA-N	563.845	2.874	0	40	KFAB	
C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1F)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	224697525	WDOFDLJNZNSUGL-QGZVFWFLSA-N	501.580	2.836	0	40	KFAB	
CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)NCc2nc(-c3cccc(Br)c3)no2)s1	225176901	ULPHREYIOLQJTI-UHFFFAOYSA-N	501.388	2.814	0	40	KFAB	
O=C(NC[C@H]1COc2ccccc2O1)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1	225264984	VJSPXOMGGRYZIB-IBGZPJMESA-N	509.422	2.947	0	40	KFAB	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@H](c6cccs6)O[C@@H]5[C@@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O	245190530	NRUKOCRGYNPUPR-JKMBKRDRSA-N	656.662	2.753	0	40	KFAB	
CC(C)COC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccccc3Cl)C2)cc1	408658837	RPCCVRPCSDMXJI-KRWDZBQOSA-N	515.950	2.828	0	40	KFAB	
O=C1COc2ccc(C(=O)COC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)cc2N1	2619269	ZWIZHKLRQBDZJN-UHFFFAOYSA-N	506.536	2.804	0	40	KFAB	
Cc1ccc(CNC(=O)[C@H](C)NC(=O)C2CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC2)cc1	12865171	OWKHNIFTCKBNHP-UGKGYDQZSA-N	502.656	2.904	0	40	KFAB	biogenic
CCN(c1ccc(C(=O)CN2C(=O)N[C@](C)(c3ccccc3Br)C2=O)cc1)S(C)(=O)=O	14167452	BXPBQVCCSWRTKZ-OAQYLSRUSA-N	508.394	2.885	0	40	KFAB	
CCc1c2c(nc3ccc(OC(=O)N4CCC(N)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC	22058728	APWFTHDYKJHNEV-NDEPHWFRSA-N	518.570	2.564	0	40	KFAB	world
CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2C=C(C)[C@H](CC(=O)NCCN3CCOCC3)C[C@H]2C(C)C)cc1	30879927	MAZHPYDVCDUIOW-FXSPECFOSA-N	534.723	2.616	0	40	KFAB	biogenic,in-vitro
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O	70704674	HVHVKUFUIIQCAU-YQMHAVPBSA-N	570.646	2.817	0	40	KFAB	biogenic
COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4C[C@H]([C@H]5C(=O)N(CCCC(=O)O)C(=O)[C@H]45)[C@H]23)cc1	100922233	PVTXWLUCAKHKQB-XGURWNGZSA-N	500.598	2.783	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5C)sc4n3)CC2)cc1OC	102349887	IMSUPMLMCXMWQM-UHFFFAOYSA-N	541.655	2.650	0	40	KFAB	
O=S1(=O)NC[C@H](O)CN(Cc2ccccc2F)C[C@]2(COc3cc(-c4ccccc4)ccc31)C[C@H](O)[C@H](O)C2	108318159	KSHOIISKDDOZHN-FWPHEPGVSA-N	556.656	2.529	0	40	KFAB	
COC(=O)[C@H]1CN(C(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2C)c2ccccc2O1	222766886	ABOXFKBHILPIEQ-HSZRJFAPSA-N	502.589	2.952	0	40	KFAB	
CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	224254532	RBXUKRLVSDFINI-NRFANRHFSA-N	503.621	2.823	0	40	KFAB	
CC[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O	224410240	AUSDMNMBMVUBLU-DEOSSOPVSA-N	553.703	2.610	0	40	KFAB	
CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	225092871	RWRSOHJXKDVOQC-OAQYLSRUSA-N	503.621	2.905	0	40	KFAB	
COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1OC	225561412	WPSHEUKAMVTRHE-UHFFFAOYSA-N	553.637	2.950	0	40	KFAB	
CCNC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc3sc(C(=O)N4CCOCC4)cc3c2)c1	408712916	BEPKPNHVSABJLA-UHFFFAOYSA-N	503.602	2.933	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)C2)cc1	408714372	POQCXJHYYLTPFY-MRXNPFEDSA-N	536.657	2.992	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCc2ccc3c(c2)OCO3)cc1OC	409387360	ILTVWWGGNJLFAB-UHFFFAOYSA-N	512.584	2.982	0	40	KFAB	
Cc1cc(I)ccc1NC(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C	3235747	OCHHHLXVOJVRSZ-UHFFFAOYSA-N	558.394	2.724	0	40	KFAB	
COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(Cc2cccs2)C(=O)c2snc(C(N)=O)c2N)cc1	7059761	YESPVRDRORXNOH-OXJNMPFZSA-N	529.644	2.573	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccnc3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1	8407223	VTBOHUPVNGKJPL-JYWRCUDFSA-N	514.401	2.964	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1	8454288	PCDIWWXMGHCGSL-GAISBVLPSA-N	542.997	2.924	0	40	KFAB	
CCC(C)(C)NC(=O)CN(C(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(OC)cc1	12492709	DHTRNBBBLHKWDK-UHFFFAOYSA-N	517.648	2.976	0	40	KFAB	
O=C1[C@H]2[C@@H](C(=O)N1C[C@@H]1CCCO1)[C@@H](Cc1c[nH]c3ccccc13)N[C@@]21C(=O)Nc2c(Cl)cccc21	15971648	QKLUCXMJAOUBOR-OKHYVKGCSA-N	504.974	2.963	0	40	KFAB	
COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4ccccc4F)CC3)cc2c1	19940659	GPVMTYZBCZWGTM-CPJSRVTESA-N	519.581	2.753	0	40	KFAB	
COc1ccc(Cl)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1	59834450	OWBCOBLISQYQJZ-LJQANCHMSA-N	524.020	2.524	0	40	KFAB	
CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)c(OC)c2)C(C(=O)OC)=C(C)N=3)ccc1OC(C)=O	97966434	DFLXHZZXQJTETI-ITIZVALFSA-N	552.605	2.749	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(Cc3ccc4c(c3)OCO4)[C@@H](C(=O)NC[C@H]3CCCO3)c3ccco3)n2)cc1OC	100277487	CXBCVOGOZCFMAP-LYZGTLIUSA-N	604.620	2.744	0	40	KFAB	
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)/N=c3/sc4cc(F)cc(F)c4n3C)cc2)CC1	100823719	ZDTSBHLYZCSGBK-NJNXFGOHSA-N	524.571	2.722	0	40	KFAB	
O=C(CCCn1c(=O)c2ccccc2n(CC(=O)NCc2ccccc2Cl)c1=O)NCc1ccc2c(c1)OCO2	101304907	GMFDTZNXKMBYLJ-UHFFFAOYSA-N	563.010	2.958	0	40	KFAB	
CSCC[C@H](NC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)C(=O)NCCc1c[nH]c2ccccc12	136573559	RBRLXUWJUCHHKW-NOXFTYBFSA-N	507.660	2.939	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	222548498	WJGOSBPWDUSVAJ-AVRDEDQJSA-N	515.632	2.952	0	40	KFAB	
COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)[C@@H](Cc2ccccc2)C(=O)NCCO)cc1	223250930	FKDZAOPDZGZANR-LJAQVGFWSA-N	579.719	2.817	0	40	KFAB	
Cc1c(CCC(=O)N2CC[C@H](Oc3cccc(Br)c3)[C@@H](CC(=O)N3CCN(C)CC3)C2)cnn1C	257226856	FMLPJIHTUHVHNH-URXFXBBRSA-N	546.510	2.884	0	40	KFAB	
CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@@H]1O[C@H](n2ccc3c(N)ncnc32)[C@H](O)[C@@H]1O	261184439	WXRGFPHDRFQODR-JTKRFKOTSA-N	539.681	2.852	0	40	KFAB	in-vitro
C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1	409393758	XOKZWYVYJLLEKE-AWEZNQCLSA-N	500.404	2.733	0	40	KFAB	
CC(C)C[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCCN2CCCC2)CC(=O)N[C@H](CC(C)C)C(=O)N1C	643583819	BMFPNYSKRQMMMO-AYRHNUGRSA-N	571.763	2.574	0	40	KFAB	
O=C(COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc3c(c1)OCO3)CC2)N[C@H]1CCS(=O)(=O)C1	13525872	DHKOKBJLEIPRHU-RLGUWMIQSA-N	520.563	2.910	0	40	KFAB	
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NCc1ccccc1	13592122	DAZXGMCEQYWBRE-ZVCAKDTFSA-N	522.671	2.997	0	40	KFAB	
COc1cccc(CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@H](C(=O)NC[C@@H]2CCCO2)c2cccc(OC)c2)c1	33356898	ZBJYOHYPZBHRRD-SVEHJYQDSA-N	607.685	2.914	0	40	KFAB	
CCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1	36296001	HQAXRDXWWICSQL-UHFFFAOYSA-N	518.640	2.771	0	40	KFAB	
CCCN(C(=O)COC(=O)COc1ccc2ccccc2c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	62625896	RUJLRDXQOBCVFD-UHFFFAOYSA-N	516.554	2.686	0	40	KFAB	
COc1cc(/C=C2/SC(=O)N(CCNC(=O)[C@@H](C)N3C(=O)c4ccccc4C3=O)C2=O)cc(OC)c1OC	97980229	AGULTNKJYFRGNO-GNUZOCDUSA-N	539.566	2.550	0	40	KFAB	
COc1cccc(CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@H](C(=O)NC[C@@H]2CCCO2)c2cccs2)c1	100378024	DTBYDXBQXRIHNJ-LVXARBLLSA-N	583.688	2.967	0	40	KFAB	
COc1cc(C[C@@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)cc(OC)c1	100472139	BEVRSVCMBNECIL-JOCHJYFZSA-N	557.591	2.739	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCC2)c1	224025219	HPBLARMJYRIYFT-IBGZPJMESA-N	547.674	2.955	0	40	KFAB	
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1	224296559	VNUIRANLBGICJI-UHFFFAOYSA-N	619.693	2.772	0	40	KFAB	
O=C(COc1ccc(I)cc1)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1	224329801	XZGQFMXSDISXIJ-UHFFFAOYSA-N	530.384	2.650	0	40	KFAB	
COc1ccc(CN2CCO[C@@](COc3ccc(Cl)cc3)(CC(=O)N3CCOCC3)C2)cc1CO	257201120	AGJMCZIFIPMMOF-SANMLTNESA-N	505.011	2.740	0	40	KFAB	
CN1CCN(C(=O)C[C@]2(COc3cccc(Cl)c3)CCCN(C(=O)CCc3cnn(C)c3)C2)CC1	257341859	ZMFJBHMMLOBVCC-AREMUKBSSA-N	502.059	2.858	0	40	KFAB	
COC(=O)c1cc(OC)c(OC)cc1NC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1	408587924	CRRAJRXTWWRWAK-UHFFFAOYSA-N	514.556	2.986	0	40	KFAB	
COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCN1CCOCC1)c1cccc(C(F)(F)F)c1	408620839	MLXYFRRSDPHRAU-UHFFFAOYSA-N	515.554	2.666	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccc(Br)cc43)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	409109495	GBQJCPUCQCANJN-LCPUNJGISA-N	568.405	2.612	0	40	KFAB	
O=C(c1cnn(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1)c1cc(Cl)cc(Cl)c1O	2652834	AYNJBGCAZHPKSG-UHFFFAOYSA-N	510.355	2.836	0	40	KFAB	
C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)cc2)C[C@@H](C)O1	6088803	PKWFKENMIFCALF-HZPDHXFCSA-N	536.657	2.994	0	40	KFAB	
CC(=O)Oc1ccc(C(=O)COC(=O)CNC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1	10042596	RQPBXPWNYHXCLC-UHFFFAOYSA-N	500.463	2.568	0	40	KFAB	
O=C(C[S@](=O)CC(=O)N(CC(=O)NC1CCCCC1)Cc1cccs1)Nc1ccc2c(c1)OCO2	19941247	UIHCFMMHHLBOIH-PGUFJCEWSA-N	519.645	2.642	0	40	KFAB	
O=C(c1ccc(N2CCCS2(=O)=O)cc1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1	32808624	SPNUSTCYJWUWSL-UHFFFAOYSA-N	518.444	2.680	0	40	KFAB	
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21	52537818	XEPMJHRPEFBZLQ-ZEQRLZLVSA-N	501.539	2.581	0	40	KFAB	
O=C(CSc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)s1)NCc1ccc2c(c1)OCO2	97987879	FWNJJYSLHIJTAQ-UHFFFAOYSA-N	561.667	2.712	0	40	KFAB	
NS(=O)(=O)c1ccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1	100274101	WJICOQNVAWYVNE-UHFFFAOYSA-N	538.445	2.926	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(F)cc1	137351622	PONPUGNQIRMKSU-VLOXRPPESA-N	512.559	2.963	0	40	KFAB	
COc1ccc(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NCCN2CCOCC2)cc1OC	222809903	FCJXCVXWCRTIKL-IBGZPJMESA-N	504.027	2.765	0	40	KFAB	
CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O	223388270	YPOFLBLYTSVAGW-HXUWFJFHSA-N	526.453	2.777	0	40	KFAB	
C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	224072761	GDGDQZUBZGTCDK-QGZVFWFLSA-N	521.611	2.695	0	40	KFAB	
CC[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O	224256211	XFTJDJJGFOKRKW-HXUWFJFHSA-N	552.502	2.984	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O	225020596	NOKPQHHZYAFSKH-LJQANCHMSA-N	505.637	2.722	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O	225481354	HGNMEFXLCBOUPX-KRWDZBQOSA-N	510.454	2.995	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC(C)=O)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	408738406	SDZNJCDDKOJAAX-RWTNITNYSA-N	522.579	2.741	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)Cc2ccccc2)cc1OC	409063072	GMWAHZRVGKLEMK-UHFFFAOYSA-N	567.664	2.968	0	40	KFAB	
COCC(=O)N1CCCN(C(C)C)CCN(C(=O)Cc2csc(NS(C)(=O)=O)n2)Cc2ccc(Cl)cc21	643589692	XLXRACNYVXFTAK-UHFFFAOYSA-N	572.153	2.833	0	40	KFAB	
COc1c2c(c(C)c3c1[C@H](OC(C)=O)[C@@H]1[C@](C)(C[C@H](O)[C@@]4(O)C(C)(C)OC(=O)CC[C@@]14C)O3)COC2=O	1772591538	DPTMJUCCXFJMTQ-MLCBUVINSA-N	518.559	2.663	0	40	KFAB	
CCCN1C(=O)/C(=c2\sc3n(c2=O)[C@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(C)N=3)c2ccccc21	2063875	TYLWURIRPNTBAS-QQYUXEJHSA-N	547.633	2.942	0	40	KFAB	
CCCCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1N)c1c(N)n(CCC)c(=O)[nH]c1=O	2659181	KHXLQDCAKCDQCY-UHFFFAOYSA-N	541.465	2.733	0	40	KFAB	
CCOC(=O)CNC(=O)[C@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)cc1C	6547002	AIYVDRGBKICSEF-NRFANRHFSA-N	527.578	2.648	0	40	KFAB	
CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)cc1	12537451	NIQDPYWLDPTOCX-MRXNPFEDSA-N	502.593	2.680	0	40	KFAB	
COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)cc3)c(=O)n2[C@@H]1c1ccc(C(=O)OC)cc1	16713840	MGJNHCMPKMLXTA-JDCXBEBJSA-N	506.580	2.520	0	40	KFAB	
C[C@]12C(=O)N(c3ccccc3C(=O)NCCCN3CCOCC3)C(=O)N1CCc1c2[nH]c2ccccc12	20609819	DTADBAGMAIPARK-NDEPHWFRSA-N	501.587	2.860	0	40	KFAB	biogenic
CCOC(=O)C1CCN([C@H](c2cc3cc(OC)ccc3[nH]c2=O)c2nnnn2Cc2ccccc2)CC1	57594573	PBNMHLCBTPZLOT-XMMPIXPASA-N	502.575	2.936	0	40	KFAB	
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O	70706321	SYKVTZBNPJLAGC-KKUQBAQOSA-N	588.686	2.524	0	40	KFAB	biogenic
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O	70706916	GLXWTQTYBUNYIV-GMQQYTKMSA-N	570.646	2.817	0	40	KFAB	biogenic
O=C(CN(Cc1ccc(F)cc1)C(=O)C[S@@](=O)CC(=O)Nc1ccc2c(c1)OCO2)NCc1ccccc1	100295008	NCNTXQCBNWEBDP-KXQOOQHDSA-N	539.585	2.587	0	40	KFAB	
CC(C)[C@@H](C(=O)O)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H]4Sc5[nH]c(=O)sc5[C@@H](c5ccccc5O)[C@H]34)[C@@H]2C1=O	101174900	CXHOWVXUEZYAFS-NTYWWBDQSA-N	500.598	2.725	0	40	KFAB	
COc1ccc(Cl)cc1S(=O)(=O)c1cnc(N2CCN(CC(=O)Nc3ccc(C)cc3)CC2)nc1N	102434429	JBEDXAATHBIILN-UHFFFAOYSA-N	531.038	2.623	0	40	KFAB	
O=C(Cn1c(=O)ccc(=O)n1CC(=O)Nc1ccc(Br)cc1)Nc1ccc(Br)cc1	102903871	VOMIOAFHKALHGW-UHFFFAOYSA-N	536.180	2.812	0	40	KFAB	
C[C@@H]1N[C@]2(C(=O)N(CC(=O)N3CCc4ccccc43)c3ccccc32)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12	103013898	MFHRRANWHRMBCO-YOBWXGAGSA-N	520.589	2.611	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	105501278	JUHUJJMEJJEHGK-UTWPHBJQSA-N	550.589	2.851	0	40	KFAB	
O=C(Nc1ccc(Cl)cc1)Nc1nnc2nc([C@]3(c4nc5nnc(NC(=O)Nc6cccc(Cl)c6)n5[nH]c4=O)CCCC3=O)c(=O)[nH]n12	150640981	FEHSWCLSIOHKAJ-MHZLTWQESA-N	691.456	2.573	0	40	KFAB	
CN(CC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1)S(C)(=O)=O	223042823	WNJFUWCTKVEPCT-SANMLTNESA-N	507.656	2.877	0	40	KFAB	
CN(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccccc1)S(C)(=O)=O	223401765	OZQMLAUNTHCDDQ-JTHBVZDNSA-N	508.040	2.597	0	40	KFAB	
O=C(CSCc1ccc(Cl)cc1F)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1	224496115	IVXZIXWSIRHYPI-UHFFFAOYSA-N	503.017	2.928	0	40	KFAB	
COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCNS(=O)(=O)c1ccc(C)cc1)c1ccccc1	226049208	IMKHAVZTMLFWLB-UHFFFAOYSA-N	531.656	2.602	0	40	KFAB	
CN1CCN(C(=O)C[C@]2(COc3cccc(Cl)c3)CN(C(=O)c3cccnc3Cl)CCO2)CC1	257322323	WFMKHYUGKHALQT-XMMPIXPASA-N	507.418	2.843	0	40	KFAB	
CCCC1=C(C(=O)OCC)[C@H](c2ccc3c(c2)OCO3)n2c(s/c(=C3\C(=O)N(C)c4ccccc43)c2=O)=N1	409121484	XIPIUDGVQFOKAF-HHUUSFLGSA-N	531.590	2.654	0	40	KFAB	
CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc(I)c1OCC(=O)OC	409231466	KNANYOKENUSQPQ-LICLKQGHSA-N	609.373	2.782	0	40	KFAB	
O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4cc(-c5ccccc5)ccc41)CC[C@@H]3O)N(Cc1cccnc1)C2	514287495	GHXXOAFZMGHRTK-MBFGAFETSA-N	556.663	2.929	0	40	KFAB	
COc1ccc(C(=O)N[C@H](C)c2cccc(S(N)(=O)=O)c2)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C	514391055	YOTWZLLAFFQZDQ-JXXFODFXSA-N	509.650	2.691	0	40	KFAB	
COc1ccc(CN2CCN(C(C)=O)C[C@](O)(COc3ccc(C)cc3)C2)cc1OCCn1cccn1	585271562	IKHZHEPOCDMUBQ-NDEPHWFRSA-N	508.619	2.753	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OC)c(OCCCN3CCCCCC3=O)c2)C[C@@](O)(COc2ccccc2)C1	585278931	AZXXTCBWFRNVKJ-YTTGMZPUSA-N	583.726	2.967	0	40	KFAB	
Cc1ccc(OCCNC(=O)[C@@H]2CCC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N(C)CCOc3ccccc3C(=O)N2)c(C)c1	643580757	UDBGTGIXNZVVAV-NSOVKSMOSA-N	616.715	2.661	0	40	KFAB	
O=c1c(NS(=O)(=O)c2cccc(F)c2)ccc2n1C[C@H]1C[C@@H]2CN(S(=O)(=O)c2cccs2)C1	4150104	JNCQSXVHKKJAHG-LSDHHAIUSA-N	509.606	2.658	0	40	KFAB	biogenic,in-vitro
O=c1nc([C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)[nH]c2c1nnn2Cc1ccccc1Cl	6161914	JRUDPCKFLWFIMD-INIZCTEOSA-N	543.005	2.556	0	40	KFAB	
CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1	12976415	DQASGIPDTJCZEC-RTWAWAEBSA-N	513.632	2.555	0	40	KFAB	
COc1ccc(NC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1S(=O)(=O)N1CCOCC1	13096619	LDTULJVUPRQZED-UHFFFAOYSA-N	521.551	2.769	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cc1C(=O)N1CCC(C)CC1	13674794	IKNGGLWRQLRNSY-UHFFFAOYSA-N	521.661	2.569	0	40	KFAB	
Cc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@@H](C(=O)NC(C)(C)C)c3cccs3)n2)cc1	19941072	YBRMFURAVXHUJL-HSZRJFAPSA-N	525.679	2.527	0	40	KFAB	
COCCn1nnnc1[C@@H](c1cc2c(C)ccc(C)c2[nH]c1=O)N1CCN(c2ccccc2OC)CC1	20083369	SGONJDAPUVRVLW-RUZDIDTESA-N	503.607	2.698	0	40	KFAB	
CCC[C@@H](NC(=O)Cc1c(C)c2cc3c4c(oc3c(C)c2oc1=O)CCCC4)C(=O)N[C@H](CCCNC(N)=O)C(=O)O	97957026	JJWULMSGEWKVDT-FGZHOGPDSA-N	582.654	2.880	0	40	KFAB	
Cc1ccccc1CCN(C(=O)CN1C(=O)c2ccccc2S1(=O)=O)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccco1	100377929	IFTWDBBZPSDLIS-WXVAWEFUSA-N	565.648	2.840	0	40	KFAB	
Cc1ccc(OC[C@@H](O)CN2C(=O)N(CN3C(=O)N(C[C@@H](O)COc4ccc(C)cc4)C(=O)C3(C)C)C(C)(C)C2=O)cc1	100654419	OZBYBNWMXWXNTQ-ZRZAMGCNSA-N	596.681	2.526	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	105501197	NGGYKYUYPMZZQN-WQLLJXGDSA-N	620.421	2.846	0	40	KFAB	
COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N(C)Cc2cc(OC)c(OC)c(OC)c2)C1	222622921	FVVRMNQTOCUYMG-QGZVFWFLSA-N	510.584	2.919	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)cc1	223071248	DBAZPSJHYOHVGT-SFHVURJKSA-N	505.637	2.802	0	40	KFAB	
CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O	223216701	HDUGSGAIZPXWLF-LJQANCHMSA-N	561.417	2.750	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	223228680	GDEAOIDZGSLNDO-HOTGVXAUSA-N	536.448	2.926	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223451995	CHHBYODAQFLDMD-LJQANCHMSA-N	533.647	2.566	0	40	KFAB	
COc1cccc(CN(C(=O)CCN2C(=O)c3ccccc3S2(=O)=O)[C@H](C)C(=O)NC2CCCC2)c1	224039977	DQHMOXFJIOEFEV-GOSISDBHSA-N	513.616	2.706	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C	225400858	BPCIBPCRZSCIBS-WOJBJXKFSA-N	504.653	2.640	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCC2)c1	260782207	JNPRYVQXSGBXOM-LJQANCHMSA-N	545.658	2.709	0	40	KFAB	
COc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1OC	260794905	ODPKILSFLWXXEJ-QGZVFWFLSA-N	523.627	2.941	0	40	KFAB	
CC(C)(C)CC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4cccnc4)C[C@H]3C(=O)NC[C@H]1O2	514287360	HDOULTMWOMIDGX-JGDRUYDSSA-N	577.726	2.776	0	40	KFAB	
CC(C)[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCc2ccc(CN3CCCC3=O)cc2)CCC(=O)NC2(CCCC2)C(=O)N1	643578008	MOBDKTWFFSFYBG-WUFINQPMSA-N	631.774	2.966	0	40	KFAB	
COc1ccc(CN2CCC3(CCOc4cc(C5CCOCC5)ccc4S(=O)(=O)N4C[C@H](O)C[C@H]4C(=O)N3)CC2)cc1	1548891092	WDVCDVGRECQNLJ-VPUSJEBWSA-N	599.750	2.647	0	40	KFAB	
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C(=S)NC(=O)c4ccc(Cl)nc4)CC3)cc21	2353536	KVRBBVOYUUXKQB-UHFFFAOYSA-N	517.970	2.744	0	40	KFAB	
CC[C@H](C(=O)N[C@H]1C(=O)N2C(C(=O)O)=C(CSc3nnc(C)s3)CS[C@@H]12)n1nc(C)c(Cl)c1C	2730745	ZJZIJNIHLGQSQC-IAISJRAMSA-N	543.096	2.795	0	40	KFAB	
Cc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1	3336499	GFDJAHPHSNJPIU-UHFFFAOYSA-N	503.606	2.510	0	40	KFAB	
Cn1c(O)c(C(c2ccc(C(F)(F)F)cc2)c2c(O)n(C)c(=S)n(C)c2=O)c(=O)n(C)c1=S	8452799	YVMNNLRFAKBDHN-UHFFFAOYSA-N	500.524	2.830	0	40	KFAB	
COc1ccc(NC(=O)CSc2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)s2)cc1	8684023	YJQHFFGOLDNULQ-UHFFFAOYSA-N	549.656	2.551	0	40	KFAB	
O=S(=O)(c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1	13562937	GBJJMUQJWKVTGY-UHFFFAOYSA-N	519.066	2.742	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3/C(=O)N(CC)c4ccccc43)c(=O)n2[C@H]1c1cccc(OC)c1	15228749	IQTSCINFOCNNNH-MOBKVPTQSA-N	503.580	2.544	0	40	KFAB	
Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1	30756444	OSMROXUQDFDIQB-MRXNPFEDSA-N	515.057	2.906	0	40	KFAB	
COc1cc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@@H]2CCCO2)c2cccs2)ccc1-n1cnnn1	33356964	UNNZKLTVZSBKKV-AFMDSPMNSA-N	573.639	2.547	0	40	KFAB	
CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)/C=C/c2ccc(OC)c(OC)c2)CC1	38152219	MTMHATJGRQTGGE-UXBLZVDNSA-N	544.674	2.519	0	40	KFAB	
Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	59851818	FUKZXZCXVYTGMT-UHFFFAOYSA-N	559.666	2.512	0	40	KFAB	
Cn1cc(C(=O)N2CCC(N3CCCCC3)CC2)c(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)n1	67337707	GQIJSIJBLPPXKE-UHFFFAOYSA-N	535.114	2.675	0	40	KFAB	
COc1ccc(OC)c(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3Cl)C2)c1	138916803	CREYYADSLZBNRQ-LBPRGKRZSA-N	510.330	2.686	0	40	KFAB	
CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O	222898600	LOCGHQUCBKJRBT-QGZVFWFLSA-N	510.454	2.729	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O	224024116	QFYBILULNJGDOB-MRXNPFEDSA-N	512.028	2.677	0	40	KFAB	
CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	224655960	NXEYKVVIGVQSDA-IBGZPJMESA-N	503.621	2.557	0	40	KFAB	
CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	225444208	KSTFDOSSTIVVCV-QFIPXVFZSA-N	517.648	2.948	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCC(=O)O)c3)c(=O)n2[C@H]1c1cccc(OC)c1OCC	408908726	RRGHMRSHCDFUFS-ZBXXMNEPSA-N	552.605	2.669	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)cc3O)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409037215	SRBDWVNZBYHFNQ-ROOYPZPVSA-N	694.500	2.765	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccc(Br)cc43)c(=O)n2[C@H]1c1ccc(OC)cc1OC	409118630	OTVKVJHKFRKMLD-AGGMBTAESA-N	584.448	2.900	0	40	KFAB	
CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OC)c2)n2c(s/c(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)c2=O)=N1	409163195	NJODOCJUGRHJHF-KEBLUXQBSA-N	605.713	2.825	0	40	KFAB	
Cc1ccccc1C(=O)N[C@H](C)c1nnc(SCC(=O)Nc2cccc(C(=O)N3CCOCC3)c2)n1C	409353629	ORNJQOKESMSBJS-GOSISDBHSA-N	522.631	2.818	0	40	KFAB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@H]2NCc2ccccc2)c(OC)c1	575425557	GIACHNZCFUCYEK-DNQXCXABSA-N	530.668	2.850	0	40	KFAB	
COc1ccc(-c2nnc(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)n2-c2ccc(Cl)cc2)cc1	3376657	RGOMHVMZTLPWKD-UHFFFAOYSA-N	512.979	2.551	0	40	KFAB	
O=C(Nc1cccc(C(F)(F)F)c1)N[C@H]1CO[C@@H]2[C@@H](n3nnnc3-c3ccc4c(c3)OCO4)CO[C@H]12	4270569	QSMTTZQHNBXFNQ-ILRDRHFLSA-N	504.425	2.617	0	40	KFAB	biogenic,in-vitro
CCOC(=O)CNC(=O)[C@@H](c1c[nH]c2ccccc12)N(C(=O)c1snc(C(N)=O)c1N)c1cc(C)cc(C)c1	6546576	WIPWHBBVPHJGEC-HSZRJFAPSA-N	548.625	2.990	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1	8818847	UZNIHDSUZYKAIC-IGSWSUAKSA-N	520.563	2.649	0	40	KFAB	
COC(=O)[C@]1(CCSC)N[C@@H](c2ccc(F)cc2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21	12498039	CITAGPGHBLMFIZ-UGCAPWQASA-N	500.548	2.712	0	40	KFAB	
Cc1ccc(NC(=O)CS[C@H](C)C(=O)OCC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1	12695412	MUNMWDZHTLMZIH-WIYYLYMNSA-N	504.630	2.819	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CC(=O)NCCCN(C)C)c2cc(Cl)ccc2OC)cc1OC	13648483	RNJMZRKPPGAOQW-UHFFFAOYSA-N	500.017	2.629	0	40	KFAB	
O=C(/C=C/c1ccc2c(c1)OCO2)NCCCN1CCN(CCCNC(=O)/C=C/c2ccc3c(c2)OCO3)CC1	22790743	YYIMYRBMCMXOQK-NXZHAISVSA-N	548.640	2.501	0	40	KFAB	
C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1Cc1sc(NC(=O)c3c(F)cccc3F)nc1[C@H]2CC(=O)NCCN1CCOCC1	35973851	ZHXBIIQBCZTXOY-ZQWKOILCSA-N	592.709	2.928	0	40	KFAB	biogenic,in-vitro
CCC(C)(C)NC(=O)[C@@H](c1ccc(OC)c(OC)c1)N(CCN1CCOCC1)C(=O)Cn1nnc2ccccc21	100356002	VKCGCSRYCYYCDU-HHHXNRCGSA-N	552.676	2.655	0	40	KFAB	
O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccc(Cl)cc2)CC1)Nc1ccc(Br)cc1	102100831	RKZPUBSEMRLESU-NRFANRHFSA-N	548.869	2.580	0	40	KFAB	
NS(=O)(=O)c1ccc(CCNC(=O)CSC2=Nc3ccccc3C3=N[C@H](CCC(=O)NC4CCCCC4)C(=O)N23)cc1	102746476	MQSHZYILGBIHBO-XMMPIXPASA-N	610.762	2.614	0	40	KFAB	
O=C(NCc1ccccc1)[C@@H]1CN(C(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2)c2ccccc2O1	222639642	ZTMPMHCTTASUFS-SANMLTNESA-N	535.622	2.961	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	224832727	QQLKXXXMPKGSHO-MRXNPFEDSA-N	510.012	2.778	0	40	KFAB	
CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	224905167	JOIHTEIPPYGJGO-QFIPXVFZSA-N	515.632	2.809	0	40	KFAB	
COc1cccc(S(=O)(=O)N2CCC[C@](COc3ccccc3)(CC(=O)N3CCN(C)CC3)C2)c1	257253089	JXNCZZNQPSZQDB-SANMLTNESA-N	501.649	2.709	0	40	KFAB	
CN1CC(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)N2CCC[C@@H]2COc2ccccc2C(=O)N[C@H](C(=O)N2CCCN(Cc3ccccn3)CC2)CCC1=O	643571663	OGMDRAUZHUJQDD-BJJUCXOISA-N	804.990	2.716	0	40	KFAB	
COc1ccc(OC)c(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(C)cc2)c1	930496	NVEMMOIMYQORSM-UHFFFAOYSA-N	509.588	2.538	0	40	KFAB	
COC(=O)c1ccccc1NC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl	1429023	YILKVYLIQYOLBL-UHFFFAOYSA-N	527.990	2.653	0	40	KFAB	
CCOC(=O)CN(C(=O)Cn1nnc(-c2ccc(C)cc2)n1)[C@@H](C(=O)NC1CCCC1)c1ccc(O)cc1	6546314	WZDVWANXNCFRSQ-RUZDIDTESA-N	520.590	2.546	0	40	KFAB	
COc1cccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1	8673121	DKSDPHWGBANLNP-AREMUKBSSA-N	509.628	2.865	0	40	KFAB	
COCCn1nnnc1[C@H](c1cc2cc(C)ccc2[nH]c1=O)N1CCN(c2nc3ccccc3s2)CC1	19972813	SRZQXGOMPXTOBD-QHCPKHFHSA-N	516.631	2.991	0	40	KFAB	
O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1	20031870	YOXYFBRKJXZMNZ-FQEVSTJZSA-N	523.652	2.717	0	40	KFAB	
CC(C)CCOc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)C2=O)cc1	32814475	IQCUSKLPGOGLLT-RUZDIDTESA-N	516.620	2.768	0	40	KFAB	
COc1ccc(CCN2C(=O)NC(=O)[C@]3(Cc4c(nc5c(C)cccn5c4=O)N4CCCCC[C@H]43)C2=O)cc1OC	101670320	KRUPUMUBIVHADI-YUDQIZAISA-N	559.623	2.633	0	40	KFAB	
Cc1nc(NC(=O)COC(=O)[C@@H](NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C(C)C)c(Cl)cc1Cl	102777693	VMFWJHZBELCYKW-NRFANRHFSA-N	587.482	2.654	0	40	KFAB	
CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	224210951	ZYKVDGOIHIVBDT-JOCHJYFZSA-N	517.648	2.866	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)c2ccc(Cl)cc2)cc1OC	224217878	ZPEPHOBDXPBTMD-UHFFFAOYSA-N	612.126	2.998	0	40	KFAB	
CC(C)NC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4ccccc4)C[C@H]3C(=O)NC[C@H]1O2	253394165	ANHAVIIXNJKKMQ-JGDRUYDSSA-N	563.699	2.536	0	40	KFAB	
CCOc1ccc(N(CC(=O)NCCCn2ccnc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	408611334	TXQMMYCPBLSCJR-UHFFFAOYSA-N	502.593	2.701	0	40	KFAB	
C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(C(=O)c2cc3ccc(O)cc3oc2=O)CC1	616567851	MWRKONWQKZWDTC-VWLOTQADSA-N	590.633	2.551	0	40	KFAB	
CC(C)C[C@@H]1COc2ccc(Cl)cc2C(=O)NCCCCN(C(=O)c2cnn3cccnc23)CC(=O)N1	643556688	OJPZXUBHIXZSDQ-LJQANCHMSA-N	527.025	2.958	0	40	KFAB	
CC(C)C[C@H]1NC(=O)C[C@@H](C(=O)NCC(C)(C)c2ccc(F)cc2)NC(=O)c2ccccc2OCCCNC1=O	643565844	PSIFTNOENIUTEC-RPWUZVMVSA-N	554.663	2.838	0	40	KFAB	
CC(=O)N[C@H](CC(C)C)C(=O)N1CC[C@@H]2NC(=O)[C@H](Cc3ccccc3)NC(=O)C3(CC=CC[C@@H]2C1)CCOCC3	2037829064	QQTULVKBYXGERN-WXIAYYLYSA-N	566.743	2.745	0	40	KFAB	
COc1cc(Cl)c(C)cc1NC(=O)COC(=O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@@H](C)O	3295097	UIMRCKISAWGKSR-CWTRNNRKSA-N	505.376	2.520	0	40	KFAB	
CCCCN(C(=O)CSc1nncn1-c1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	3322858	OCRMGEIVUMRWFA-UHFFFAOYSA-N	505.604	2.673	0	40	KFAB	
O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1	8815798	MZRNAFVUVUOSDE-UHFFFAOYSA-N	505.961	2.924	0	40	KFAB	
CSCC[C@@H](NC(=O)Cc1c(C)c2cc3c4c(oc3cc2oc1=O)CCCC4)C(=O)NCC(=O)O	8876228	KIHGNYKAORLQHF-GOSISDBHSA-N	500.573	2.708	0	40	KFAB	biogenic
Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(O)cc2)cc1C	12474022	HIENZCIGFSCHSB-DENIHFKCSA-N	523.615	2.830	0	40	KFAB	
Cc1cccc(N(CC(=O)NC2CCCC2)C(=O)C[S@@](=O)CC(=O)Nc2ccc3c(c2)OCO3)c1C	12709274	LUCONPOCZAYUQQ-PSXMRANNSA-N	513.616	2.811	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H]3C(=O)Nc3ccc4c(c3)OCCO4)CC2)cc1	13750385	OGXXADDKZQTBPV-QFIPXVFZSA-N	513.616	2.797	0	40	KFAB	
Cc1c(Cl)ccc2c1NC(=O)[C@@]21N[C@@H](CCC(N)=O)[C@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]21	16010392	OPQHQZAYMBZLGC-XQNUDUSMSA-N	505.333	2.631	0	40	KFAB	
COc1cc2c(cc1OC)[C@H](C)N(CC1(Cc3ccc4c(c3)OCO4)C(=O)N(C)C(=O)N(C)C1=O)CC2	20112569	GGZWSPXTROUOQT-INIZCTEOSA-N	509.559	2.631	0	40	KFAB	biogenic
CCCn1c(N2CCN(C(=O)COc3ccc(OCC)cc3)CC2)nc2cc3c(cc2c1=O)OCCO3	28558650	CJUUBPDDYFOQIE-UHFFFAOYSA-N	508.575	2.704	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(O)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	59418381	ZHXBRDCXAJRRLZ-VVOOWDFBSA-N	510.568	2.530	0	40	KFAB	
CCOc1ccc(N(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)S(=O)(=O)c2cc(C)ccc2OC)cc1	59838057	HNNUTGFWADIRDJ-UHFFFAOYSA-N	547.655	2.561	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)C2)cc1	59838567	FYTGPHVNPUFCCU-NRFANRHFSA-N	535.688	2.587	0	40	KFAB	
Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)c1	59851836	JBYUBDSFEMMHRX-UHFFFAOYSA-N	559.666	2.512	0	40	KFAB	
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N(CCN(C)C)c3nc4ccc(OC)cc4s3)cc2)CC1	60209257	KEWMKMXMMUKSSX-UHFFFAOYSA-N	575.713	2.976	0	40	KFAB	
COc1ccc(CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@H](C(=O)NC[C@H]2CCCO2)c2nc3ccccc3n2C)cc1	100378091	GCSMCNYCKCBNCZ-BTYSJIOQSA-N	631.711	2.792	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	105501275	JUHUJJMEJJEHGK-VPVLBGOXSA-N	550.589	2.851	0	40	KFAB	
CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222776888	OOKKGCLIHWNUEK-HXUWFJFHSA-N	552.093	2.929	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O	223447159	ZEQBIFCRGQFBPV-IBGZPJMESA-N	505.637	2.803	0	40	KFAB	
C[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C	224096836	WMXRNEWGJQQIRA-OAQYLSRUSA-N	500.665	2.818	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)c2ccccc2)cc1	224205000	JZFCFCLPMQYGHQ-UHFFFAOYSA-N	531.656	2.636	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCCOc3ccc(S(=O)(=O)N4CCCC4)cc3)Oc3ccccc32)cc1	224302515	DBUCHMWRUOAYJE-MHZLTWQESA-N	585.704	2.931	0	40	KFAB	
COc1cccc(S(=O)(=O)N2CCC(COc3ccc(F)cc3)(CC(=O)N3CCOCC3)CC2)c1	257231297	GGBTZYNUVATHHG-UHFFFAOYSA-N	506.596	2.933	0	40	KFAB	
CN1CCN(C(=O)CC2(COc3ccc(Cl)cc3)CCN(C(=O)CCN3CCCC3=O)CC2)CC1	257319818	VUEOQWFCVNGYHV-UHFFFAOYSA-N	505.059	2.504	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	260983013	OIVDQQFCECPKPW-OALUTQOASA-N	522.643	2.779	0	40	KFAB	
CC(=O)N1CCC(C(=O)N(C)CCC[C@H]2C(=O)N(C)CCCCC3(CCN(C(=O)OC(C)(C)C)CC3)COCC(=O)N2C)CC1	643560229	GLMSXHIMLLDQJE-MHZLTWQESA-N	635.847	2.987	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1cccs1	635024	AWUJQOHTFHUCKE-JKALPCAWSA-N	500.598	2.886	0	40	KFAB	
CCOC(=O)CNC(=O)[C@H](c1ccc(OCC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1CC	6860626	CYEDCJJHJRHAGS-QHCPKHFHSA-N	553.641	2.853	0	40	KFAB	
COCCN(C(=O)CCC(=O)Nc1cc(C)on1)[C@@H](C(=O)NC(C)(C)C)c1cccc(OC)c1OC	12491612	JIZGTJZHSNEZTK-JOCHJYFZSA-N	504.584	2.850	0	40	KFAB	
COc1cccc(CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C(=O)NC[C@H]2CCCO2)c2cccc(OC)c2)c1	33356900	ZBJYOHYPZBHRRD-VAVYLYDRSA-N	607.685	2.914	0	40	KFAB	
NC(=O)c1nsc(C(=O)N(CCCN2CCOCC2)[C@H](C(=O)NC2CCCCC2)c2ccc(Cl)cc2)c1N	38145873	NKHCXPSYCZBMMT-QFIPXVFZSA-N	563.124	2.832	0	40	KFAB	
O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1	59838259	KTFUBPQQDHSTAL-RUZDIDTESA-N	622.563	2.676	0	40	KFAB	
CCNC(=O)[C@H]1CCCN(c2nc3ncn(CC(=O)Nc4ccccc4Br)c(=O)c3s2)C1	71326296	JKSQEUBBINLHCG-ZDUSSCGKSA-N	519.425	2.607	0	40	KFAB	
COc1cc([C@@H](C(=O)NC[C@H]2CCCO2)N(Cc2ccc3c(c2)OCO3)C(=O)Cn2nnc3ccccc32)ccc1O	100336347	VLLDDLNARIMKCG-PBBNMVCDSA-N	573.606	2.940	0	40	KFAB	
Cc1cccc(-n2c(S[C@@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)nc3sc4c(c3c2=O)CCCC4)c1	103079389	RLEZRPKDNUUUKL-AWEZNQCLSA-N	537.667	2.978	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	222619347	NRUHPLMFUFXBDR-JOCHJYFZSA-N	570.465	2.980	0	40	KFAB	
CNS(=O)(=O)c1ccc(C)c(NC(=O)COc2ccc(S(=O)(=O)NCc3ccccc3)cc2C)c1	222777935	INWSEUDCHXWMKP-UHFFFAOYSA-N	517.629	2.708	0	40	KFAB	
CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	223969250	FYPKSUNNUUEZEL-NRFANRHFSA-N	501.605	2.563	0	40	KFAB	
O=C(NC[C@@H]1COc2ccccc2O1)c1ccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1	225252559	VUTQMEXUCAFVLX-HSZRJFAPSA-N	507.612	2.763	0	40	KFAB	
CCCC(=O)Nc1ccn([C@@H]2O[C@@H](COC(=O)CCC)[C@@H](OC(=O)CCC)[C@H]2OC(=O)CCC)c(=O)n1	4984381	IJSVLVFEJFXYPI-FDUHJNRSSA-N	523.583	2.646	0	40	KFAB	
CCOc1ccc(NC(=O)Cn2c(=O)n(CC(=O)NCc3ccc(C)cc3)c(=O)c3sccc32)cc1	9598802	KAQIQUMPLVLFHI-UHFFFAOYSA-N	506.584	2.887	0	40	KFAB	
COCCn1nnnc1[C@@H](c1cc2cc(C)c(C)cc2[nH]c1=O)N1CCN(Cc2cccc(OC)c2)CC1	20083699	OIRJCTJSAPIOGY-AREMUKBSSA-N	517.634	2.694	0	40	KFAB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1	59837440	VLRXMRJILWBNPL-UHFFFAOYSA-N	592.139	2.911	0	40	KFAB	
Cn1c(=O)c2c(nc(NCCc3c[nH]c4ccccc34)n2CC(=O)NCC[C@H]2C=Nc3ccccc32)n(C)c1=O	100432772	HOYJIGPTLWFQQR-SFHVURJKSA-N	538.612	2.576	0	40	KFAB	
COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H](C)C(=O)NCc2ccccc2)cc1	222932664	UKAYZLJJYLRELG-QHCPKHFHSA-N	581.691	2.829	0	40	KFAB	
COC(=O)[C@H]1CN(C(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c2ccccc2O1	226011667	DOUIKVUVRWEJHX-AREMUKBSSA-N	554.621	2.904	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O	260900580	DSFZNVFOYMWTAP-MOPGFXCFSA-N	505.637	2.802	0	40	KFAB	
COc1ccc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3ccc(Br)c(C)c3C)CC2=O)cc1OC	408654686	KWLHQINHEBKPQW-MRXNPFEDSA-N	548.390	2.758	0	40	KFAB	
COc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)ccc1O[C@H](C)C(=O)O	409010473	FCULHUWVUYKSKI-DZZSIBQASA-N	518.320	2.841	0	40	KFAB	
CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3ccc(OCC(=O)OC)c(I)c3)c2=O)=N1	409047888	VCKYNTOSEGDECD-BXDIUNCMSA-N	618.449	2.955	0	40	KFAB	
Cc1cc2cc(OCC(=O)N3CCC4(CCCCn5cc(nn5)COCCNC4=O)CC3)ccc2n1C	643563940	LZTYWVVSNIBXKV-UHFFFAOYSA-N	508.623	2.583	0	40	KFAB	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@H](c6cccs6)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O	4099008	NRUKOCRGYNPUPR-QOMJOESBSA-N	656.662	2.753	0	40	KFAB	fda
COc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)c2snc(C(N)=O)c2N)c2ccc3c(c2)OCO3)cc1	6075011	QLCDJSRHAOSIQR-FQEVSTJZSA-N	525.587	2.864	0	40	KFAB	
COc1ccccc1C[C@@H](NC(C)=O)C(=O)NC1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1	13565679	RWMDHOLEZYCPIP-OAQYLSRUSA-N	527.565	2.731	0	40	KFAB	
COc1ccc2cc([C@H](c3nnnn3Cc3ccccc3)N3CCN(C(=O)c4ccco4)CC3)c(=O)[nH]c2c1	20080180	DXAGDGLHJIGQQL-RUZDIDTESA-N	525.569	2.712	0	40	KFAB	
COc1ccc(CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@H](C(=O)NC[C@@H]2CCCO2)c2cccc(OC)c2)cc1	100341479	IJMHRMKMMPMZAV-SVEHJYQDSA-N	607.685	2.914	0	40	KFAB	
CS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(Cl)c(Cl)cc1Cl	224449889	BQHMQUXLVHRYNO-UHFFFAOYSA-N	600.930	2.629	0	40	KFAB	
CS(=O)(=O)N(CC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCCCO)Cc1ccccc1	260719750	MILUPXMOAVOONQ-HHHXNRCGSA-N	537.682	2.587	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(CCc1ccccc1)[C@H](C)C(=O)NCC(C)C)c1ccc2c(c1)OCCO2	260858530	ALYGLHYYZUCEJN-OAQYLSRUSA-N	531.675	2.846	0	40	KFAB	
COCC(=O)N1CCN(Cc2cccc(OCCn3nc(C)cc3C)c2)C[C@](O)(COc2ccc(F)c(F)c2)C1	585273974	HOJAFMFTLNOMNM-GDLZYMKVSA-N	558.626	2.958	0	40	KFAB	
COc1ccccc1C(=O)N1CCC2(CCCCN(C)C(=O)[C@H](CCCN(C)C(C)=O)N(C)C(=O)COC2)CC1	643560393	VXJGJSMSBKCKLK-VWLOTQADSA-N	558.720	2.662	0	40	KFAB	
COc1ccc(CNC(=O)[C@H](C)NC(=O)C2CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC2)cc1	8918458	BWMZOQRIRBIAQH-AVRDEDQJSA-N	518.655	2.604	0	40	KFAB	biogenic
COc1ccc([C@H](C(=O)NC(C)(C)C)N(C[C@H]2CCCO2)C(=O)Cn2nnc(-c3ccc(C)o3)n2)cc1	12477766	KYXFKGKCNYEYIQ-NFBKMPQASA-N	510.595	2.914	0	40	KFAB	
COc1cccc(N(C(=O)Cn2nnc(-c3ccc(OC)c(OC)c3)n2)[C@H](C)C(=O)NC2CCCC2)c1	12701621	GWYAKSQPNRXANF-QGZVFWFLSA-N	508.579	2.846	0	40	KFAB	
COc1ccc(CNC(=O)[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C(C)C)cc1	16033455	BWUACECSQHPFNL-XMMPIXPASA-N	501.649	2.862	0	40	KFAB	
O=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)Nc1cccc(S(=O)(=O)N2CCCC2)c1	33023944	MWLZTKMFOFAOBX-UHFFFAOYSA-N	521.539	2.677	0	40	KFAB	
COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(-n3cnnn3)c(C)c2)cc1	33356950	LVFKPXAAIOVGRJ-PWUYWRBVSA-N	581.637	2.794	0	40	KFAB	
C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1Cc1sc(NC(=O)c3ccc(F)cc3)nc1[C@H]2CC(=O)NCCN1CCOCC1	35973871	PMEPAUORHSRYBZ-RUMONJKUSA-N	574.719	2.789	0	40	KFAB	biogenic,in-vitro
Cc1cc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)S(C)(=O)=O)ccc1Br	59852617	OTJMZRKVRFEMOJ-UHFFFAOYSA-N	554.448	2.753	0	40	KFAB	
O=C(CC[C@@H]1N=C2c3ccccc3NC(=S)N2C1=O)NCCN1CCN(c2cccc(Cl)c2)CC1	63708010	CNQAWZOFBWETCU-NRFANRHFSA-N	511.051	2.726	0	40	KFAB	
C[C@@H](c1nc(N2CCOCC2)c2ccccc2n1)N1CCN(S(=O)(=O)c2ccc(-n3cccn3)cc2)CC1	100036468	LCNWMYQQPYDORW-NRFANRHFSA-N	533.658	2.720	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1	103102785	HAXJBCFXSQWPHO-KRWDZBQOSA-N	549.627	2.501	0	40	KFAB	
COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CC(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)C2=O)cc1	103136677	AELQYTYXTSZZBP-UHFFFAOYSA-N	566.636	2.697	0	40	KFAB	
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CN(S(C)(=O)=O)c4ccccc4O3)cc2)c(OC)c1	215958012	JIXHDHGXEANJDJ-QHCPKHFHSA-N	547.611	2.670	0	40	KFAB	
COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)c1	216336798	RBMOTAATSSRNHE-HXUWFJFHSA-N	502.589	2.873	0	40	KFAB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1CCCN1CCOCC1	223178968	CHUJTXKLJKCHIS-SXOMAYOGSA-N	526.751	2.917	0	40	KFAB	
CS(=O)(=O)N(CC(=O)NCCOc1ccc(Cl)cc1)c1ccc(I)cc1	223772534	CXNHFAMDRMMYQI-UHFFFAOYSA-N	508.765	2.906	0	40	KFAB	
CC[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O	224256015	IYGYRJIJRLIIDR-IBGZPJMESA-N	552.502	2.984	0	40	KFAB	
CC(=O)OCC(=O)O[C@@H]1[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@]2(O)[C@H](OC(C)=O)[C@]2(C)[C@H]3CC(C)(C)C(=O)[C@@H]3C[C@]1(OC(C)=O)[C@H]2OC(C)=O	255897339	GVQACOLUOBLBLO-MQERBXLJSA-N	714.761	2.894	0	40	KFAB	biogenic,in-vitro
COc1ccc(N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c(OC)c1	260828007	ZMMRWZBGJLFCNP-HXUWFJFHSA-N	531.675	2.988	0	40	KFAB	
CCOC(=O)COc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc1I	408550742	JKGKXPNELULVQL-MHWRWJLKSA-N	544.367	2.892	0	40	KFAB	
CCCCNC(=O)c1ccccc1NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	409251327	PNYWTDFZOFASGK-SANMLTNESA-N	584.720	2.919	0	40	KFAB	
COc1ccc(NC(=O)[C@@H](OC(=O)c2ccc(Cl)cc2)[C@H](OC(=O)c2ccc(Cl)cc2)C(=O)O)nn1	409376154	VGMGHSOOPYUBHF-OALUTQOASA-N	534.308	3.266	0	40	KFAB	
O=C(OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(=O)[nH]c32)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1	4887493	GNPXLAQWIFFOOV-VHENIMGFSA-N	596.552	2.619	0	40	KFAB	
CCN(CC)CCCNC(=S)N(CCCN1CCOCC1)Cc1cc2cc(OC)ccc2[nH]c1=O	6193060	XDHAZLGGKUUWKN-UHFFFAOYSA-N	503.713	2.667	0	40	KFAB	
Cn1c(=O)c2c(nc(SCC(=O)Nc3nc4ccccc4s3)n2Cc2ccc(F)cc2)n(C)c1=O	6444947	RLCDJAPISFXYNV-UHFFFAOYSA-N	510.576	2.962	0	40	KFAB	
COC(=O)c1cc(NC(=O)COC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc(C(=O)OC)c1	12529234	SUFKBKOXYAYLEA-UHFFFAOYSA-N	516.934	2.947	0	40	KFAB	
COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(C4CCCCC4)CC3)cc2c1	20080004	QTDKNXLLQAMTBT-DHLKQENFSA-N	507.639	2.742	0	40	KFAB	
Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)S(C)(=O)=O)c1	20110372	KFCLAVOBRXYZOH-UHFFFAOYSA-N	503.606	2.607	0	40	KFAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)Cn4nc(C(F)(F)F)c(Br)c4C)[C@H]3SC2)s1	97948901	JVWAGKKRCOUEJZ-IAQYHMDHSA-N	613.463	2.664	0	40	KFAB	
COC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)sc2cc(C)ccc21	100876044	WTWBHQCIEMOZEF-NGKHFMBDSA-N	517.629	2.723	0	40	KFAB	
Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@]1(CC(O)=N2)C(=O)N(CC(=O)NCc2ccc(F)cc2)c2ccccc21	101411155	DDQIKULDRYRRLN-MUUNZHRXSA-N	551.542	2.927	0	40	KFAB	
CCOC(=O)c1ccc2c(c1)nc(SCC(=O)Nc1cccc(S(=O)(=O)N3CCOCC3)c1)n2CC	103086350	FGDHLCYHQSHWAO-UHFFFAOYSA-N	532.644	2.985	0	40	KFAB	
CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	222834295	MFBMAACGYSUNFM-HSZRJFAPSA-N	547.674	2.955	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)Nc1ccccc1C(=O)N1CCOCC1	224237186	NUCKCFURMAYOHL-UHFFFAOYSA-N	501.605	2.523	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(I)cc1	224281041	UZIQFRIKOACERZ-UHFFFAOYSA-N	500.358	2.885	0	40	KFAB	
Cc1ccc(N([C@@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)cc1C	224374970	DVEDFAGZABSCAL-NRFANRHFSA-N	537.704	2.828	0	40	KFAB	
CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	225706935	AUOLOYOXVSSIAD-OAQYLSRUSA-N	505.637	2.802	0	40	KFAB	
COc1c2c(c(C)c3c1C(=O)OC3)O[C@]1(C)C[C@H](O)[C@@]34O[C@@](OC)(C[C@H](OC(C)=O)[C@]3(C)[C@H]1C2)OC4(C)C	247978452	WDGSJYYXVXQQHP-BFTKDPBESA-N	532.586	2.955	0	40	KFAB	endogenous,in-man
CC(C)[C@@H]1OC(=O)C=CC=CC=CC=CC=CC[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	299888852	ZYHODWCHANZFES-KQIRLONLSA-N	636.823	2.549	0	40	KFAB	
O=C(NCCN1CCOCC1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1	408583493	ZZZOLOXDAGPSJL-QGZVFWFLSA-N	515.408	2.503	0	40	KFAB	
CCOC(=O)N1CCN(C(=O)CN(CCc2ccccc2)S(=O)(=O)c2cc(C)ccc2OC)CC1	408636939	WNMFXAHILLTHLW-UHFFFAOYSA-N	503.621	2.538	0	40	KFAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C3/C(=O)Nc4ccc(C)cc43)c(=O)n2[C@@H]1c1ccccc1OC	409117725	MHZOMRVVSOASRG-ZHHPLPSFSA-N	516.623	2.743	0	40	KFAB	
COc1ccc(CNC(=O)C[C@@H]2C[C@H]3O[C@H](CNCc4ccccc4OC(F)(F)F)[C@@H](O)[C@H]3O2)cc1	604382006	YNTFTTOQONGPKX-ZQDRWKGSSA-N	510.509	2.676	0	40	KFAB	biogenic,in-vitro
CC(C)C[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCc2ccc(CN3CCOCC3)cc2)CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)CC(=O)N1	643571827	KJYXTTCFZOCIAT-QBDOPFNQSA-N	754.929	2.823	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(=O)OC)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1	623862	NIXGMQSLNNQCRH-CVGPFBNFSA-N	520.563	2.510	0	40	KFAB	
COC(=O)c1cc(C(=O)OC)c(CC(=O)C(=O)NC2C3CC4CC(C3)CC2C4)nc1CC(=O)C(=O)NC1C2CC3CC(C2)CC1C3	5809166	HQYGAVJIPOCBLI-UHFFFAOYSA-N	633.742	2.760	0	40	KFAB	
COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCC2)c2ccncc2)cc1OC	6162717	LSSBMESVKNMOCY-NRFANRHFSA-N	524.603	2.683	0	40	KFAB	
CCOC(=O)C1=c2s/c(=C\c3ccc(OC)cc3)c(=O)n2C(N)=C(S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(OC)cc1	8448695	NWTJMCVDWNDDAQ-IURUZKCNSA-N	604.706	2.826	0	40	KFAB	
COc1ccc([C@H](Nc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)C(=O)NC[C@@H]2CCCO2)cc1OC	13028286	HOKKBSSZGQJUFF-WATLYSKOSA-N	533.647	2.610	0	40	KFAB	
CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCN(CCN3C(=O)c4cccc5cccc(c45)C3=O)CC2)cc1	17527660	XECUIAGKUXUSDE-UHFFFAOYSA-N	548.665	2.924	0	40	KFAB	
COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(Cc4ccccc4)CC3)cc2c1	19940677	RYELDCLHVGZFJQ-BVAGGSTKSA-N	515.618	2.609	0	40	KFAB	
Cc1ccc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2c1C	22872731	HQNGPAHKWGDDQO-LXFBAYGMSA-N	557.655	2.946	0	40	KFAB	
CCc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)S(C)(=O)=O)cc1	30757802	AULNOJGTCFXVKX-UHFFFAOYSA-N	517.633	2.861	0	40	KFAB	
CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@H](C(=O)O)[C@H](C)CC	70705042	ZADGHZJEVVLUPY-AONIPZHHSA-N	536.629	2.620	0	40	KFAB	biogenic
COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)CNC(=O)c2cccs2)c2cccnc2)cc1OC	100414044	AYVNVNUVDIDZCF-CJFMBICVSA-N	538.626	2.960	0	40	KFAB	
CC(C)NS(=O)(=O)c1ccc(OCC(=O)N2C[C@@H](C(=O)NCc3ccccc3)Oc3ccccc32)cc1	222632280	MAYZFMSVUNATRP-VWLOTQADSA-N	523.611	2.863	0	40	KFAB	
O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCCCNc1ccnc2cc(Cl)ccc12	222712922	KXXIJYQDDIMBAZ-UHFFFAOYSA-N	519.023	2.906	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	223073182	OFKOBIINSQOBHA-LJQANCHMSA-N	503.621	2.823	0	40	KFAB	
CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223701783	PAPZZYYKNPBHSN-QFIPXVFZSA-N	531.675	2.988	0	40	KFAB	
CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O	224120960	NFQCVDFXJNCNSD-NRFANRHFSA-N	503.621	2.905	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)cc1	224232296	ZUEMLAYLIDZPMM-KRWDZBQOSA-N	578.540	2.981	0	40	KFAB	
CS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc2ccccc12	224290980	QLSVRESVKRFIAJ-UHFFFAOYSA-N	531.656	2.586	0	40	KFAB	
Cc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccccc2)cc1C	224435390	BTQOOZRNYZCAPE-UHFFFAOYSA-N	587.720	2.715	0	40	KFAB	
CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	225416171	DUINRCKFPKFDBZ-QFIPXVFZSA-N	522.643	2.781	0	40	KFAB	
CS(=O)(=O)N(CC(=O)NCC1(c2ccccc2)CCOCC1)c1ccc(I)cc1	225843886	AXVDUGLBXQIVAG-UHFFFAOYSA-N	528.412	2.922	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@@H](C(=O)NC[C@H]3CCCO3)c3ccc(F)cc3)n2)cc1	245230836	ZYIJGJBUZNUTBB-RMTZWNOUSA-N	552.607	2.532	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(S(=O)(=O)NC)ccc3C)C2)cc1Cl	260731004	BYOMBGJCPHHIKV-INIZCTEOSA-N	530.068	2.995	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	261029128	WYJPHEGBGPQGDE-MOPGFXCFSA-N	535.663	2.810	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)O)c(OCC)c3)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1	408987869	ZJVPDHDBTVEEFX-AMXTYKKZSA-N	612.657	2.686	0	40	KFAB	
COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)[C@@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1	524731828	LZKPGJSLLINVAU-RBZQAINGSA-N	501.668	2.834	0	40	KFAB	biogenic
COCC(=O)N1CCCN(Cc2ccccc2)CCN(C(=O)CN2CCC(C(N)=O)CC2)Cc2ccc(Cl)cc21	643565551	JDLMZWGRHUCSJT-UHFFFAOYSA-N	570.134	2.751	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCCC3)c3ccccc3OC)n2)cc1OC	12705051	MPPRJJDZTGOFJZ-UHFFFAOYSA-N	508.579	2.848	0	40	KFAB	
CC(=O)N[C@H](Cc1ccccc1)C(=O)NC1CCN(c2c(Cc3ccccc3)c(C)nc3ncnn23)CC1	13565568	OAQZOCOMSSMMCO-AREMUKBSSA-N	511.630	2.856	0	40	KFAB	
CCOC(=O)[C@H]1C(c2ccc(OC)cc2)[C@@H](C(=O)OCC)[C@](O)(C(F)(F)F)O[C@]1(O)C(F)(F)F	16930469	ZWCDTIWOHIYUPI-FQVGPWKCSA-N	504.376	2.669	0	40	KFAB	
CCOC(=O)N1CCN(C(=O)c2cc(OC)c(OC)cc2N(Cc2ccccc2F)S(C)(=O)=O)CC1	22254615	OWZUWYRDVGVGOW-UHFFFAOYSA-N	523.583	2.723	0	40	KFAB	
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)c3ccc(COc4ccccc4Br)o3)[C@H]2SC1	29749443	XGQUHFGRNNBLDJ-LAUBAEHRSA-N	551.371	2.536	0	40	KFAB	
Cc1ccc2c(c1)N(C(=O)Cn1c(=O)n(CCCCC(=O)NCC(C)C)c(=O)c3ccccc31)CCO2	45899134	NGGQIXDPHHPIEL-UHFFFAOYSA-N	506.603	2.840	0	40	KFAB	
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1	66156525	LIRZHDXIAQOFTJ-UHFFFAOYSA-N	549.646	2.602	0	40	KFAB	
CCOC(=O)CN1C(=O)[C@]2(N[C@@H](CCSC)[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]32)c2ccccc21	98006115	JFSACOGEXOVPMC-MPWBWRNSSA-N	528.030	2.976	0	40	KFAB	
CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	222932155	YKEDJLKEAZXZNA-HSZRJFAPSA-N	531.675	2.988	0	40	KFAB	
CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O	223043532	XUWONCLNLCENNJ-OAQYLSRUSA-N	503.621	2.823	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	223123255	JUHQZELQBJFMLK-IBGZPJMESA-N	503.621	2.823	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	224045822	LCYHQALWCOQGMM-IBGZPJMESA-N	533.647	2.566	0	40	KFAB	
C[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)N(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O	224253850	IGDAKNUEBLMADR-CQSZACIVSA-N	572.027	2.959	0	40	KFAB	
CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2nnc(NC(=O)c3ccc(C)cc3)s2)cc1	225368763	QWHZAZKUQSRMCT-UHFFFAOYSA-N	509.635	2.930	0	40	KFAB	
COc1c2ccoc2nc2c(OC)c(O[C@@H]3O[C@H](C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)ccc12	252015050	VEPUODFCYPKQKH-JUXHAPMDSA-N	517.487	2.917	0	40	KFAB	biogenic
CC(C)C[C@H](NC(=O)[C@H](NC(=O)[C@H](CCC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(N)=O	252394528	OQCSRTHUMNABCZ-QNWVGRARSA-N	548.681	2.560	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(CC(=O)NCCN2CCOCC2)Cc2c(Cl)cccc2Cl)cc1	408620737	LGELLKZNVVCQNZ-UHFFFAOYSA-N	500.448	2.941	0	40	KFAB	
O=C(CCCn1c(=O)c2ccccc2n(CC(=O)NCc2ccco2)c1=O)NCc1ccccc1Cl	2686501	HVPNHIDSLQRZPQ-UHFFFAOYSA-N	508.962	2.823	0	40	KFAB	
Cc1cc(O)c(S(=O)(=O)O)cc1Cc1cc(S(=O)(=O)O)c(O)c(Cc2cc(S(=O)(=O)O)c(O)cc2C)c1C	4217339	ACZKMKGNTMOPBD-UHFFFAOYSA-N	588.634	2.650	0	40	KFAB	
Cc1cccc(N2CCN([C@@H](c3cc4cc5c(cc4[nH]c3=O)OCO5)c3nnnn3C[C@@H]3CCCO3)CC2)c1C	6442998	WMLKWPMPBCLKHJ-IDISGSTGSA-N	543.628	2.951	0	40	KFAB	
CCOC(=O)CNC(=O)[C@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C(C)C)cc1	6547070	XTSNCDLRUYMPCC-QFIPXVFZSA-N	539.614	2.721	0	40	KFAB	
CCOC(=O)C(=CNc1ccc2oc(=O)n(CCc3ccc(OC)c(OC)c3)c(=O)c2c1)C(=O)OCC	8857323	XVDBHYLORYDCEL-UHFFFAOYSA-N	512.515	2.637	0	40	KFAB	
O=c1cc(CN2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)nc2sc(-c3cccc(F)c3)nn12	102350254	USDUXTZRYFBQER-UHFFFAOYSA-N	521.546	2.742	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCN(c3nc4ccccc4nc3NS(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1	103006606	RHFZRMQMJMHJTG-UHFFFAOYSA-N	597.675	2.721	0	40	KFAB	
C/C=C(\C)C[C@H](/C=C(\C)[C@H](O)[C@H](C)/C=C(\C)[C@H](O)[C@H](C)/C=C/[C@H](O)C/C=C/[C@H](O)[C@H](O)C(=O)O)C(=O)O	105152806	YKAQENKKQWMYFZ-ZEUOFYMHSA-N	524.651	2.600	0	40	KFAB	biogenic,in-vitro
CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	223859433	FINZTSQIJRBIAZ-KRWDZBQOSA-N	509.600	2.552	0	40	KFAB	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@H](c6cccs6)O[C@@H]5[C@@H](O)[C@@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O	245190531	NRUKOCRGYNPUPR-TUZLOCPVSA-N	656.662	2.753	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@H](NC(=S)Nc2ccc(Oc3ccccc3)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	254696514	RPGZUPIDELFEPL-QJEZIUSSSA-N	574.608	2.848	0	40	KFAB	
COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@H](C(=O)NCc2ccccc2)c2ccccc2)cc1	260725503	XJFJLEXWNGOIDZ-SANMLTNESA-N	509.628	2.973	0	40	KFAB	
COC(=O)c1cc(NC(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3OC)CC2)cc(C(=O)OC)c1	408582951	GLLZWZOFZYXOPJ-UHFFFAOYSA-N	524.979	2.961	0	40	KFAB	
CCOc1c(OC)cccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(OC)cc3OC)c(=O)n21	409015254	OKBBUBWCYVXMIO-XXMKCSCWSA-N	568.648	2.849	0	40	KFAB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)cc(OC)c3O[C@@H](C)C(=O)OC)C2=O)o1	409398492	BJWLRJDJOBOALU-LWHXSLQUSA-N	537.319	2.871	0	40	KFAB	
CCOC(=O)CN(C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)[C@@H](C(=O)NC(C)(C)C)c1ccc(O)cc1	6546312	WDLFKZFIDZPGPA-JOCHJYFZSA-N	528.997	2.747	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OC)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1	9339732	LCYMZGIMYHTYLR-CVGPFBNFSA-N	522.579	2.741	0	40	KFAB	
COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(F)c2)cc1OC	100309848	RPVVSUSUTZWMGW-VGOFRKELSA-N	557.604	2.664	0	40	KFAB	
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CSc3nnc(-c4ccccc4C)n3N)cc2)nc(C)n1	100977174	FJRBZWSRZGMZON-UHFFFAOYSA-N	524.632	2.906	0	40	KFAB	
COc1cc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc2)cc(OC)c1OC	102621642	KRKLGMBHTDPPMK-MJGOQNOKSA-N	539.610	2.934	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1	103034204	WDAWOABYDAAOPL-UHFFFAOYSA-N	558.078	2.796	0	40	KFAB	
CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCO5)coc3c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	103692583	MJRFCSQUAHKKFK-AZWBIQCWSA-N	626.567	2.693	0	40	KFAB	
C[C@H]1CN(C(=O)COc2ccc(S(=O)(=O)c3ccc(OCC(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)cc2)C[C@H](C)O1	108852762	SJSDDOOPPNKPAV-URSFVKLHSA-N	560.669	2.549	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	223003004	MMESOFPZENGDEN-INIZCTEOSA-N	556.479	2.786	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	223003145	KIZNOHKXVSGSGP-INIZCTEOSA-N	556.479	2.786	0	40	KFAB	
CC(C)CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	224504957	HIEBLWHLOLQODQ-HXUWFJFHSA-N	506.644	2.671	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O	225026247	AMIYONTUFQVJSG-GOSISDBHSA-N	503.621	2.607	0	40	KFAB	
CCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225379080	FYXRSUPFRCFWES-JOCHJYFZSA-N	533.647	2.566	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O	225450887	GTHCTXNBCLOKMI-QGZVFWFLSA-N	510.454	2.995	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)[C@H](C)C(=O)NCC(C)C)c1	260929274	VZBNCCKWYLANFN-LJQANCHMSA-N	522.643	2.637	0	40	KFAB	
COC(=O)CN1C(=S)N(C)C(=O)/C1=C/c1cn(CC(=O)N2CCCCC2)c2ccc(Br)cc12	409126533	CCTYSSBQOAYRNC-GRSHGNNSSA-N	533.448	2.989	0	40	KFAB	
Cc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2ccc(OCC(=O)N3CCOCC3)c(Br)c2)C1=O	409380114	IGOWXDLUOIOESS-MOSHPQCFSA-N	557.401	2.527	0	40	KFAB	
COC(=O)c1cccc(NC(=O)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)O)c1	409387182	OEYYLTPWAQDSAP-KAYWLYCHSA-N	667.576	2.815	0	40	KFAB	
CCOC(=O)CNC(=O)[C@@H](c1ccc(OCC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1CC	6860708	CYEDCJJHJRHAGS-HSZRJFAPSA-N	553.641	2.853	0	40	KFAB	
COC(=O)c1sc2nc(CN3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c(=O)c2c1C	13137441	MOIQJWZGXYFTJI-UHFFFAOYSA-N	512.613	2.739	0	40	KFAB	
C[C@H]1N[C@]2(C(=O)N(CC(=O)N3CCc4ccccc43)c3ccccc32)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12	15320688	MFHRRANWHRMBCO-NFFXLNKNSA-N	520.589	2.611	0	40	KFAB	
COc1cc(COC[C@@H](O)CN2CCN(CCN3C(=O)c4cccc5cccc(c45)C3=O)CC2)cc(OC)c1OC	22790384	FAKLTZGUPWTPHU-QHCPKHFHSA-N	563.651	2.657	0	40	KFAB	
Cn1c(=O)c(C(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c(N)n(Cc2ccccc2)c1=O	22927382	IAPOQSOBACHGBI-UHFFFAOYSA-N	523.637	2.767	0	40	KFAB	
CCCCCCn1nc(C(=O)N(CCOC)c2c(N)n(CCCC)c(=O)[nH]c2=O)c2ccccc2c1=O	23078387	IDCUDSMZNBMVDI-UHFFFAOYSA-N	512.611	2.502	0	40	KFAB	
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)c3ccc(COc4ccc(Br)cc4)o3)[C@@H]2SC1	97966045	FYXQHTSRNCKMOY-UWJYYQICSA-N	551.371	2.536	0	40	KFAB	
O=C(COC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)N[C@@H]1CCS(=O)(=O)C1	97979449	VMQOLPGQCNKOEO-CTDFXDFQSA-N	533.562	2.505	0	40	KFAB	
COc1ccc(C[C@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c(OC)c1	100472099	FFJHZUPNZXQYDB-SANMLTNESA-N	539.654	2.874	0	40	KFAB	
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(=O)N[C@H](CCC(=O)OCc1ccccc1)C(N)=O)C(C)C	103033169	JGZHHIOHNGYFHO-WJFJTQNHSA-N	548.681	2.560	0	40	KFAB	
COc1ccc([C@@H](C)NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)cc1OC	216483045	UQUSVUFCLSDQSX-CYBMUJFWSA-N	518.373	2.952	0	40	KFAB	
CC(C)NS(=O)(=O)c1ccc(OCC(=O)N2C[C@@H](C(=O)NCCc3ccccc3)Oc3ccccc32)cc1	222632444	OBUFOXOLUCISGJ-SANMLTNESA-N	537.638	2.905	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	222652436	ABHXIAPWMGJONZ-AWEZNQCLSA-N	532.446	2.940	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	223149027	ZVZXXNJZDVSXED-MHZLTWQESA-N	569.655	2.612	0	40	KFAB	
CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	224381673	OLUNZWXGKIGSPK-OAQYLSRUSA-N	521.611	2.697	0	40	KFAB	
CN(c1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1)S(=O)(=O)c1ccc(Cl)cc1	224452113	AFCGXHJHPUJRGB-UHFFFAOYSA-N	594.111	2.995	0	40	KFAB	
C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1F)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	224689874	UMTKEHVINPQYIO-SFHVURJKSA-N	533.622	2.839	0	40	KFAB	
COc1ccc(-c2noc(CNS(=O)(=O)c3nnc(NC(=O)c4ccccc4Cl)s3)n2)cc1	225429573	OLHKNDFSKVCGEK-UHFFFAOYSA-N	506.953	2.981	0	40	KFAB	
Cc1cc(C)n(CC(=O)N2CC[C@H](Oc3cccc(Br)c3)[C@@H](CC(=O)N3CCOCC3)C2)n1	257236713	HDIUSHBZVGEVCS-UGKGYDQZSA-N	519.440	2.807	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/[C@@H]3C(=O)N(c4ccccc4)N=C3C)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	409018592	NEEBFXBNLFFQNZ-QPPKVDSDSA-N	560.632	2.806	0	40	KFAB	
COc1cc2cc(CN(CCN3CCOCC3)C(=S)NCCc3ccccc3)c(=O)[nH]c2cc1OC	895463	DZJNNBDDUVTDSI-UHFFFAOYSA-N	510.660	2.797	0	40	KFAB	
CCOC(=O)CNC(=O)[C@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(C)cc(C)c1	6547105	MCPJFSSDVGWHMY-QFIPXVFZSA-N	539.614	2.517	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@H](C(=O)NC3CCCC3)c3ccc(F)cc3)n2)cc1	7060432	DBMFIDQOCUGPNX-NDEPHWFRSA-N	579.677	2.839	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(OC)c(OC)cc3C(=O)OC)CC2)cc1	13141480	FXTOHBOVCHUHGA-UHFFFAOYSA-N	506.577	2.929	0	40	KFAB	
COc1ccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4ccccc4)CC3)c(=O)[nH]c2c1	19940432	QXIUAXDRVBNRSA-RCZVLFRGSA-N	501.591	2.614	0	40	KFAB	
CCOC(=O)c1oc2cc(O[C@@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)ccc2c(=O)c1-c1ccc2c(c1)OCCO2	79183276	CONXBBMDYHPWGK-IGOQTYOISA-N	698.630	2.870	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O	223524921	GPJLVQQVTDLTON-INIZCTEOSA-N	543.427	2.611	0	40	KFAB	
COc1ccc(S(=O)(=O)NCc2nc(-c3ccc(C(C)C)cc3)no2)cc1C(=O)N1CCOCC1	223594589	DRFQFBVCAMPBFX-UHFFFAOYSA-N	500.577	2.820	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O	224002858	KGIXKJYQLUCMPK-LJQANCHMSA-N	505.637	2.803	0	40	KFAB	
CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	224999242	KYYFTEIZGXEJBM-IBGZPJMESA-N	533.647	2.566	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	225506061	YZUFTGTVDLQAQF-DEOSSOPVSA-N	539.654	2.856	0	40	KFAB	
COC(=O)CSc1nnc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2)s1	225637284	UFMPMFHOZDYDIA-UHFFFAOYSA-N	505.043	2.637	0	40	KFAB	
O=c1sc2cc(S(=O)(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc2n1Cc1ccccc1	225741319	BKUCVLRDGNWBAH-UHFFFAOYSA-N	545.664	2.933	0	40	KFAB	
C[C@@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@H]5[C@@H](C)[C@H](C)CC[C@]5(C(=O)O)CC[C@]34C(=O)O)C2(C)C)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	253387429	IIIOQVDDEWZCEQ-UASVCILZSA-N	794.976	2.830	0	40	KFAB	biogenic,in-vitro
CC1CCN(C(=O)Cn2cc(/C=C3\SC(=O)N(CC(=O)N4CCOCC4)C3=O)c3ccccc32)CC1	409133407	LNVBNJODUPTOJR-HMAPJEAMSA-N	510.616	2.795	0	40	KFAB	
CN1CCCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O	643562958	AQILNIXAAXVQBL-VWNXMTODSA-N	510.620	2.909	0	40	KFAB	
CN1CC(=O)N(C)[C@H](Cc2ccccc2)COc2ccccc2C(=O)N[C@H](C(=O)NCc2cccc(CN3CCOCC3)c2)CCC1=O	643569565	JPFBBFJANMSVNG-BHYZAODMSA-N	655.796	2.634	0	40	KFAB	
COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1c(O)[nH]c(=O)n(-c2ccc(I)cc2)c1=O	2128848	QHNXHVXFYWIWDC-IBGZPJMESA-N	530.322	2.561	0	40	KFAB	biogenic
CCC[C@@H](C(=O)NC1CCCC1)N(C[C@H]1CCCO1)C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1	6501028	JUDZBBNEVKCSEA-RTWAWAEBSA-N	514.627	2.592	0	40	KFAB	
CCOC(=O)CNC(=O)[C@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)cc1C	6547117	KHQCDELXJPCLQP-QFIPXVFZSA-N	539.614	2.517	0	40	KFAB	
Cc1ccc(C)c(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(O)cc2)c1	12473992	IDOWGFVJUFVHLU-PGRDOPGGSA-N	523.615	2.830	0	40	KFAB	
CCN(CC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1	20031033	QVYMHXNANHIKEP-UHFFFAOYSA-N	514.069	2.842	0	40	KFAB	
CN(C)S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)C1	20491329	IKOBVWSGKMMDBU-HNNXBMFYSA-N	501.030	2.598	0	40	KFAB	
O=C(CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1)NC(=O)NC1CCCCC1	32652478	KWDVFMTXGMXNLG-UHFFFAOYSA-N	510.966	2.824	0	40	KFAB	
CCOC(=O)c1c(NC(=O)COC(=O)C[C@H](NC(C)=O)c2ccccc2)sc(C(=O)N(C)C)c1C	32910703	KCHRUMCRUDJZDA-KRWDZBQOSA-N	503.577	2.684	0	40	KFAB	
O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1Cl)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1	59852138	UYKCKSRMZGTRNL-UHFFFAOYSA-N	606.122	2.808	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OC)c3C(=O)O)c(=O)n2[C@H]1c1ccc(OC)cc1OC	101535723	WQXVQUVYCJSUKW-SNXNUMJZSA-N	568.604	2.531	0	40	KFAB	
CCCOc1ccc(NC(=O)NC(=O)COC(=O)c2cccc(S(=O)(=O)N(C)OC)c2)cc1OCCC	102899345	IBUGWYIKFVAGNJ-UHFFFAOYSA-N	537.591	2.951	0	40	KFAB	
C[C@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2nc3cc(Cl)ccc3c(=O)n2C[C@H]2CCCO2)C1=O	103122845	MGWIOWWBLBJHRI-CRICUBBOSA-N	542.017	2.819	0	40	KFAB	
COc1ccc(-c2coc3cc(O[C@@H]4O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]4OC(C)=O)ccc3c2=O)cc1	170621354	FTCLAIAXKAGMBI-BNWBJFNFSA-N	598.557	2.931	0	40	KFAB	
C[C@@H](C(=O)NCCO)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1	222864566	FKQQTOMEIIWLTF-SFHVURJKSA-N	547.580	2.670	0	40	KFAB	
Cc1cccc(OCCNC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)c1C	223915209	FSKIZQWEDWOGCQ-UHFFFAOYSA-N	502.374	2.869	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3/C(=O)N(C(C)C)c4ccccc43)c(=O)n2[C@H]1c1ccc(OC)cc1OC	409150066	ZLLODXVFPCCGMJ-NXLSWJSLSA-N	547.633	2.941	0	40	KFAB	
CCOc1ccccc1NC(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1	6631534	YYJUMNQOXJVBNS-UHFFFAOYSA-N	504.590	2.887	0	40	KFAB	
CCOC(=O)CNC(=O)[C@H](Cc1cn(C(=O)OCc2ccccc2)cn1)NC(=O)OCc1ccccc1	8627601	WRIWKMMCBSNXTO-QFIPXVFZSA-N	508.531	2.585	0	40	KFAB	
CC(=O)Nc1cccc(NC(=O)CSc2nc(-c3ccccc3F)nc3c2c(=O)n(C)c(=O)n3C)c1	8902154	YASNMDGGNCMGIX-UHFFFAOYSA-N	508.535	2.523	0	40	KFAB	
Cc1ccc(C)c(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(O)cc2)c1	12474006	IDOWGFVJUFVHLU-GCJKJVERSA-N	523.615	2.830	0	40	KFAB	
COC(=O)c1cc(NC(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc(C(=O)OC)c1	13165343	OMSRKGYURQUXEG-UHFFFAOYSA-N	501.495	2.694	0	40	KFAB	
CSc1ccc(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1C(=O)N1CCOCC1	26117969	FNNHHMKRHJDPNH-VMPITWQZSA-N	501.674	2.901	0	40	KFAB	
CS(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nc3ccccc3c(=O)n2CCCN2CCOCC2)c1	38145192	BFJPXFUVMIODSL-UHFFFAOYSA-N	551.090	2.907	0	40	KFAB	
O=C(CCCCn1c(=O)c2ccccc2n(CC(=O)NCc2ccc(F)cc2)c1=O)NCc1ccco1	45896529	YQBXFGSJCKITEL-UHFFFAOYSA-N	506.534	2.698	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC(C)=O)c(=O)n2[C@H]1c1cc(OC)ccc1OC	59418459	TTWDWUWPIOLWNU-MFUBYVTQSA-N	522.579	2.741	0	40	KFAB	
COc1ccc(N2C(=O)[C@@H]3[C@H](C)N[C@]4(C(=O)N(CC(=O)N5CCc6ccccc65)c5ccccc54)[C@@H]3C2=O)cc1	100164713	NUTRBPOVFCDQAB-DIRMUGNKSA-N	536.588	2.624	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	222469081	XXCYJZAZUTZHGN-XMSQKQJNSA-N	533.647	2.912	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	222470488	KFKMPSYWFOLVOU-QFIPXVFZSA-N	526.014	2.871	0	40	KFAB	
CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	222834081	GRFBYBZEQVWGQQ-QFIPXVFZSA-N	533.647	2.912	0	40	KFAB	
C[C@H](C(=O)NCc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222855172	KHXJDLZFELMPGQ-JOCHJYFZSA-N	569.655	2.959	0	40	KFAB	
COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H](C)C(=O)NCCC(C)C)cc1	222935514	SHUCKTGYRJAPEE-JOCHJYFZSA-N	561.701	2.675	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1	224338968	NJXLSMHCJLLVBW-OAQYLSRUSA-N	570.133	2.862	0	40	KFAB	
COc1ccc(CN(C(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)C)cc1	225676054	NRNOTVRTGJOQKR-IBGZPJMESA-N	533.647	2.912	0	40	KFAB	
COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NCc2ccccc2OC)cc1	260722780	SRQNOCIYHUNBPU-AREMUKBSSA-N	553.681	2.852	0	40	KFAB	
COc1ccc(OC)c(N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c1	260908752	PSWUCLPJSQRJPM-HXUWFJFHSA-N	519.664	2.702	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	260908792	PULMNDWUTZEQPT-OALUTQOASA-N	505.637	2.802	0	40	KFAB	
CCOC(=O)c1cccc(NC(=O)CSc2nnc([C@H](CO)NC(=O)c3ccc(OC)cc3)n2CC)c1	408596046	NJOUPBCXRZFGEH-FQEVSTJZSA-N	527.603	2.678	0	40	KFAB	
CCN1C(=O)/C(=C/c2cc(I)cc(I)c2OC)NC1=S	409005899	GXTKIXMOOUUTRB-YHYXMXQVSA-N	514.126	2.982	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OC)c(OCCn3ccnc3C)c2)C[C@@](O)(COc2ccc(F)c(F)c2)C1	585274882	QJOBOABCEMPJTP-LJAQVGFWSA-N	574.625	2.658	0	40	KFAB	
Cc1ccc(C(=O)N2CCCCC3(CCN(Cc4ccncc4)CC3)C(=O)OC[C@@H](O)[C@@H](O)CC2)cc1	643577980	KHTMGSXPHUAYOH-IZZNHLLZSA-N	509.647	2.954	0	40	KFAB	
Cc1ccccc1OCCN(C)C(=O)[C@@H]1CC(=O)N[C@H](Cc2ccccc2)C(=O)N(C)CCOc2ccccc2C(=O)N1	643578702	GEVRPUSGJBVWRN-SXOMAYOGSA-N	586.689	2.599	0	40	KFAB	
COc1ccc(C[C@@]2(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)C(=O)NC(=O)N(c3ccccc3)C2=O)c(OC)c1	2139390	VTWNVXCBJKJFPN-SAFBISLCSA-N	556.619	2.797	0	40	KFAB	biogenic
CN(COC(=O)C(C)(C)C)c1nc(N(C)COC(=O)C(C)(C)C)nc(N(C)COC(=O)C(C)(C)C)n1	5882760	MIHXHXSBWFLLEV-UHFFFAOYSA-N	510.636	2.821	0	40	KFAB	
CCOc1ccc(N(CC(=O)NCCCN2CCN(C)CC2)S(=O)(=O)c2ccc(SC)cc2)cc1	22933356	FYZJYVQVULQSNF-UHFFFAOYSA-N	520.721	2.756	0	40	KFAB	
O=c1cc(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc2sc(-c3ccccc3)nn12	41077609	POOXEXGDADMXSM-UHFFFAOYSA-N	502.021	2.978	0	40	KFAB	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](c6cccs6)O[C@H]5[C@H](O)[C@H]3O)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	77313309	NRUKOCRGYNPUPR-ITFSIKCPSA-N	656.662	2.753	0	40	KFAB	in-vitro
COc1c(CC2(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)C(=O)N(C)C(=O)N(C)C2=O)c(CCN(C)C(=O)c2ccccc2)cc2c1OCO2	79204591	ILGHKDWGCFMCEB-BVAGGSTKSA-N	683.762	2.599	0	40	KFAB	
COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1N1CCCC1=O	216420814	QVVWUJYREBUXOI-UHFFFAOYSA-N	517.589	2.522	0	40	KFAB	
CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	222961465	OALYUKPCMCXZNQ-NRFANRHFSA-N	503.621	2.557	0	40	KFAB	
CCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	224551160	TVIDQSSGOOCRMU-QHCPKHFHSA-N	547.674	2.956	0	40	KFAB	
O=CN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2/C=C\COc2ccccc2CN(C(=O)C2CCCCC2)CC3=O)CC1	253402685	OOBUPPMWUXLDPN-FVQFUZPJSA-N	550.700	2.700	0	40	KFAB	
CS(=O)(=O)N(CC(=O)N(Cc1ccccc1)[C@H](C(=O)NCCCO)c1ccccc1)Cc1ccccc1	260719758	MMRLFCDMRHOJDX-MHZLTWQESA-N	523.655	2.717	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1	408984790	MVYBQUYNUCPKQS-IMEWXKHHSA-N	510.568	2.530	0	40	KFAB	
O=C1C[C@@H](C(=O)NCc2cccc(CN3CCCC3=O)c2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCC2)N1	643576503	NKDWTXBFKHQRNS-LQJZCPKCSA-N	736.870	2.669	0	40	KFAB	
Cc1cccc(OCCNC(=O)[C@@H]2CCC(=O)N[C@H](CC(C)C)C(=O)N(C)CCOc3ccccc3C(=O)N2)c1C	643580141	LHMHETNTHQUODR-LOSJGSFVSA-N	566.699	2.759	0	40	KFAB	
CS(=O)(=O)Nc1ccn(CCNC(=O)c2ccc3c(c2)CNCCCCCCCN3C(=O)c2cccnc2)n1	643583981	QRUQCBWVVUQUQW-UHFFFAOYSA-N	553.689	2.780	0	40	KFAB	
COc1cc(NC(=S)N[C@H]2CO[C@@H]3[C@H](OC(=O)Nc4ccc(C(C)=O)cc4)CO[C@H]23)cc(OC)c1	4147433	QUHWAIGHGNMFKB-DXBBTUNJSA-N	501.561	2.976	0	40	KFAB	biogenic,in-vitro
CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O	20460559	OAPXNVPDQOSYMJ-UHFFFAOYSA-N	515.588	2.841	0	40	KFAB	
CCOc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3C(=O)OC)[nH]c2=O)cc1	46016444	HOGIYVUUDOWZCV-UHFFFAOYSA-N	503.558	2.519	0	40	KFAB	
CCc1c(O[C@@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)ccc(C(=O)Cc2ccc3c(c2)OCO3)c1O	103692724	VBEJBERDNOPXME-YZVUHNMFSA-N	630.599	2.571	0	40	KFAB	
O=S(=O)(NCCCN1CCN(CCCNS(=O)(=O)c2ccc(Br)cc2)CC1)c1ccc(Br)cc1	150372237	KSVVATXCZACOTJ-UHFFFAOYSA-N	638.448	2.866	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1	222630015	LXKULQUAHIBFNC-UHFFFAOYSA-N	509.650	2.874	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	224045762	LCYHQALWCOQGMM-LJQANCHMSA-N	533.647	2.566	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	225359304	SJPGKURGUWDBIP-RBUKOAKNSA-N	535.663	2.810	0	40	KFAB	
Cc1ccc2nccc(N3CC[C@@](O)(CN(C)C(=O)c4ccc(OCCN5CCCC5=O)cc4)C3)c2n1	257323592	WLAGUOBQJFERDX-MUUNZHRXSA-N	503.603	2.653	0	40	KFAB	
COc1ccccc1C(=O)NN1C[C@@H](C(=O)OCC(=O)Nc2ccc(Br)c(C)c2C)CC1=O	408654053	JHUXKFKIPKATFT-HNNXBMFYSA-N	518.364	2.750	0	40	KFAB	
COc1ccc(C(=O)CN(c2ccc(NC(=O)c3ccc(OC)c(OC)c3)cc2)[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1OC	575422116	LAVXJXDPYNZIDJ-VWNXMTODSA-N	584.647	2.821	0	40	KFAB	
COc1cc(CN2CCN(C(C)=O)C[C@](O)(COc3ccccc3)C2)ccc1OCCn1ccnc1C	585272918	PGNNWYZOJXJZLZ-NDEPHWFRSA-N	508.619	2.753	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OCCn3ccnc3C)c(OC)c2)C[C@](O)(COc2cc(F)cc(F)c2)C1	585275165	YQNZASZXDHQHEO-GDLZYMKVSA-N	574.625	2.658	0	40	KFAB	
CN(CCCC[C@H]1C(=O)N(C)CCCCCOc2ccccc2C(=O)N1C)C(=O)CCN1CCCC1=O	643559523	OJJQWZLIHLWYKW-QHCPKHFHSA-N	514.667	2.790	0	40	KFAB	
Cc1cc(C)nc(NCCC(=O)N2CCC3(CCCCOCCNC(=O)c4ccccc4OC3)CC2)n1	643564021	WMRCLDNESQBJPP-UHFFFAOYSA-N	509.651	3.514	0	40	KFAB	
CC(C)[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCc2ccncc2)CCC(=O)N(Cc2ccccc2)CC(=O)N1	643571857	LBTFFVVERDKQFZ-NSOVKSMOSA-N	585.705	2.881	0	40	KFAB	
O=C(CN1CC[C@@H]2NC(=O)[C@@H](Cc3ccccc3)NC(=O)C3(CC=CC[C@@H]2C1)CCOCC3)NCCOc1ccccc1	1615126203	JVZYBQUMZXFXJM-CCNCKIRNSA-N	588.749	2.863	0	40	KFAB	
COc1ccc(CCN2C(=O)[C@](NS(=O)(=O)c3ccc(Cl)cc3)(C(F)(F)F)N=C2O)cc1OC	3626788	JIFMMPVLJWSYQI-IBGZPJMESA-N	521.901	2.893	0	40	KFAB	
CSCC[C@H](N)C(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)[C@H](N)CCSC)cc2)cc1	4792009	GBWOZPDATWATOA-BGYRXZFFSA-N	510.707	2.557	0	40	KFAB	
COC(=O)c1ccc2c(=O)n(CCCCCC(=O)NC3CCN(Cc4ccccc4)CC3)c(=O)[nH]c2c1	9589612	DMEIGNDDBDIXMU-UHFFFAOYSA-N	506.603	2.818	0	40	KFAB	
CN1C(=O)N(C)C(=O)C(Cc2ccc(Cl)cc2Cl)(CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)C1=O	20112721	TULKGAVHWHJZEL-DOTOQJQBSA-N	517.413	2.854	0	40	KFAB	biogenic
NS(=O)(=O)c1ccc(NC(=O)CCn2c3c(sc2=O)[C@@H]2c4ccccc4OC[C@H]2CS3)cc1	36633795	UTVFJEAMEYLSFM-DJJJIMSYSA-N	503.627	2.832	0	40	KFAB	
CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)CC1	38140339	OXRCGFXCJZSTFN-OPXMRZJTSA-N	543.686	2.739	0	40	KFAB	
COc1cccc(CN[C@H]2CC(=O)N(c3ccc(N4C(=O)C[C@@H](NCc5cccc(OC)c5OC)C4=O)cc3)C2=O)c1OC	103128851	NQKQKFIAUROWOV-PSWAGMNNSA-N	602.644	2.564	0	40	KFAB	
O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N1CCN(C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC1	105346165	XFYYTWOUAMQGFS-OAQYLSRUSA-N	541.073	2.932	0	40	KFAB	
CCOC(=O)c1oc2cc(O[C@@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)ccc2c(=O)c1-c1cscn1	150419173	SFBDPQSPXMSRAI-FLPCNFSNSA-N	647.611	2.555	0	40	KFAB	
CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	222393532	ZVIWEOJOJGOVEB-JOCHJYFZSA-N	517.648	2.864	0	40	KFAB	
O=C(NCc1ccccc1)[C@H]1CN(C(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2)c2ccccc2O1	222639698	ZTMPMHCTTASUFS-AREMUKBSSA-N	535.622	2.961	0	40	KFAB	
CN(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)S(=O)(=O)c1ccc2ccccc2c1	224405316	HNCCTODENWZZIH-UHFFFAOYSA-N	545.683	2.830	0	40	KFAB	
CC1CCN(Cc2ccc(C(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)CC1	224471672	HYDNBISZJXVPJH-UHFFFAOYSA-N	501.649	2.748	0	40	KFAB	
COc1cccc(N(CC(=O)NCCNS(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c2cc(C)ccc2OC)c1	226058798	RXTAGPZEYPPDNO-UHFFFAOYSA-N	561.682	2.611	0	40	KFAB	
O=C1NC[C@H]2O[C@H](CCOc3cc(-c4ccccc4)ccc3C(=O)N3CCN(C4CCC4)C[C@@H]13)CC[C@@H]2O	253399038	IAOZJGLIQZIIRA-QMMWJRKVSA-N	519.642	2.840	0	40	KFAB	
CC(C)(O)[C@@H](O)CC[C@@H](CO)[C@H]1CC[C@@]2(C)C3=C(C[C@@H](O)[C@@]12C)[C@@]1(C)C[C@@H](O)[C@@H](OC(=O)C[C@@](C)(O)CC(=O)NCC(=O)O)C(C)(C)[C@H]1CC3	253529966	IOMBMOCSWVAYQU-WYYYPXMTSA-N	709.918	2.842	0	40	KFAB	endogenous,in-man
COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(I)c1OCC(=O)O	409106206	MNZKDUMAANFYED-LZYBPNLTSA-N	565.320	2.603	0	40	KFAB	
CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(OCC(=O)N5CCOCC5)cc4)c(=O)n32)cc1	409152903	CAZOHYSFMDQPFO-GBIJUZDQSA-N	605.713	2.823	0	40	KFAB	
Cn1cc(-c2ccc3c(c2)OCC[C@@H]2CC[C@H](O)[C@@H](CNC(=O)[C@@H]4C[C@@H](CN4C4CCC(F)(F)CC4)NC3=O)O2)cn1	514287531	IWIRDICLKIBSMX-QIJYUAQKSA-N	587.668	2.645	0	40	KFAB	
CC(C)[C@H]1NC(=O)C[C@@H](C(=O)N(C)CCOc2ccc(Cl)cc2)NC(=O)c2ccccc2OC[C@@H]2CCCN2C1=O	643578532	XVFYLZQIJWTNBN-RCSBWOJUSA-N	585.101	2.890	0	40	KFAB	
Cc1ccc(F)cc1-n1nnc(C(=O)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC2)c1N	1889269632	GZPUECYKFSIREG-UHFFFAOYSA-N	549.538	2.747	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccnn3CC)c(=O)n2[C@@H]1c1ccc(Br)cc1	2788241	ALNUFHZRPQPTGB-XYSGSMRZSA-N	501.406	2.777	0	40	KFAB	
CCOc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCCOC)c2ccc3ncccc3c2)cc1	6089842	IMCZHRVOUDCPEJ-HSZRJFAPSA-N	548.625	2.922	0	40	KFAB	
CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCN(C(=O)c3ccc(C)c(S(=O)(=O)N(CC)CC)c3)CC2)ccc1C	6511935	XNGAVETXNBHFLO-UHFFFAOYSA-N	592.784	2.963	0	40	KFAB	
CCOC(=O)[C@H](Cc1cc(I)c(O)c(I)c1)NC(=O)CC	12575730	DLWTZBITPOXGKR-NSHDSACASA-N	517.101	2.602	0	40	KFAB	
O=C(Cc1cccc(C(F)(F)F)c1)OCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	12917452	GNWRZPFJZHOYME-UHFFFAOYSA-N	504.914	2.978	0	40	KFAB	
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)c3ccc(COc4ccc(Br)cc4)o3)[C@H]2SC1	97966044	FYXQHTSRNCKMOY-LAUBAEHRSA-N	551.371	2.536	0	40	KFAB	
CC[C@@H]1CCCCN1S(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)ccc1OC	98005158	BOEVVVIJJFZJOB-JOCHJYFZSA-N	564.730	2.837	0	40	KFAB	
COc1ccc(C[C@@]2(CN3C[C@H]4C[C@H](C3)c3cccc(=O)n3C4)C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1OC	100747810	VDNDMXJHXMOBLZ-GOFIJKOKSA-N	570.646	2.792	0	40	KFAB	biogenic
CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O	222377460	QYBWZRFXQUHASN-QGZVFWFLSA-N	510.454	2.995	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)c2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)cc1	224225271	ZYRFBCWEQUQHQB-UHFFFAOYSA-N	549.646	2.851	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)C2)cc1	224232520	HLGRZBZCYUMJEV-QGZVFWFLSA-N	578.540	2.981	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O	225392723	GCWDVXVXTAMTKT-RBUKOAKNSA-N	505.637	2.802	0	40	KFAB	
CCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	225401002	UWBGRDNSJKQMGN-JOCHJYFZSA-N	535.663	2.812	0	40	KFAB	
CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	225434314	RJUCUUBWMZKWFY-JOCHJYFZSA-N	519.664	2.846	0	40	KFAB	
NC(=O)C[C@]1(COc2cccc(Cl)c2)CN(Cc2ccccc2OCCN2CCCC2=O)CCO1	257240804	HVGRURGEKKIYIX-AREMUKBSSA-N	502.011	2.867	0	40	KFAB	
CCCOc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)NCCCN3CCOCC3)CC2=O)cc1	408576930	HJQIOZFWGPHGAO-NRFANRHFSA-N	508.619	2.919	0	40	KFAB	
O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	408704142	KCYOAIQTVVZCER-UHFFFAOYSA-N	515.613	2.788	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)n(C)c(=O)n4C)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br	408861292	PVQURGHNFDBXTO-PMPAQKPWSA-N	627.517	2.768	0	40	KFAB	
CCOc1c(OC)cccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3cc(I)c(OCC(=O)O)c(OC)c3)c(=O)n21	408969995	YIVBSRPCXDHXKG-MLJBDGAYSA-N	738.553	2.909	0	40	KFAB	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3OC(C)=O)c(=O)n2[C@H]1c1ccc(Cl)cc1	633297	LELQLBCFQCBZKB-YOURIZNBSA-N	540.981	2.912	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1	8399825	OJZBHAWPEYIBDA-QFXGEWDLSA-N	527.046	2.797	0	40	KFAB	
O=C(NCC(=O)N(c1ccc2c(c1)OCO2)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccccc1)c1ccco1	12486668	MMUCMBJNWRLAIU-CJFMBICVSA-N	505.527	2.808	0	40	KFAB	
COCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccccc1	14411920	QHUSTIWWTYQKNT-UHFFFAOYSA-N	527.599	2.914	0	40	KFAB	
COc1ccc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(Cc4ccccc4)CC3)c(=O)[nH]c2c1	19940453	NEDSDMBTLQVZAQ-BVAGGSTKSA-N	515.618	2.609	0	40	KFAB	
COc1ccc2cc([C@@H](c3nnnn3Cc3ccccc3)N3CCN(C(=O)c4ccco4)CC3)c(=O)[nH]c2c1	20080182	DXAGDGLHJIGQQL-VWLOTQADSA-N	525.569	2.712	0	40	KFAB	
O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C1CCCC1)N1CCN(c2ccc(O)cc2)CC1)OCO3	20080903	PFUPMGYKHABFTM-RUZDIDTESA-N	515.574	2.976	0	40	KFAB	
CCOC(=O)[C@@H]1C(=O)N(CCCN2CCOCC2)c2nc3ccccc3n2[C@H]1c1ccc(OC)c(O)c1	20802334	BLXZAYSQERECIK-ZEQRLZLVSA-N	508.575	2.588	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H]3C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)CC2)cc1	102871853	RXDKALHQDFBVKK-RUZDIDTESA-N	565.696	2.823	0	40	KFAB	
O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)NCCSc1nc(-c2ccccc2)n[nH]1	222648610	SWVCDBOSFDJCOG-UHFFFAOYSA-N	501.634	2.980	0	40	KFAB	
CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O	223411235	WDWLHMLUPQHJFR-NRFANRHFSA-N	505.637	2.803	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)c2ccc(CN(c3ccccc3F)S(C)(=O)=O)cc2)cc1	224260300	JTPZDTLLEVGJDQ-UHFFFAOYSA-N	549.646	2.851	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(F)cc1	409152213	ANXBAYAVBSVGCQ-DBLMTGOPSA-N	609.676	2.574	0	40	KFAB	
CCCC1=C(C(=O)OCC)[C@H](c2ccc3c(c2)OCO3)n2c(s/c(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)c2=O)=N1	409154670	POJRNRLTOWDRHZ-NAIWQIQESA-N	619.696	2.545	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(CC(=O)N4CCOCC4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(OC)cc1	409166412	DGYABNHQJWBDAV-RGDUZTMSSA-N	600.697	2.620	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OCCn3c(=O)n(C)c4ccccc43)cc2)C[C@@](O)(COc2ccccc2)C1	585272163	GSMOQPIBKFPHQN-YTTGMZPUSA-N	574.678	2.520	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCN1CCC2(CCCCCc3ccccc3OCCNC2=O)CC1	643561659	ZMYHXCDJJDTHAF-UHFFFAOYSA-N	642.819	2.840	0	40	KFAB	
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ccc(Nc2cc(CC3CCNCC3)ncn2)nc1)C(C)C)C(=O)O	2037879811	RAWNJSMHDVZKOO-URXFXBBRSA-N	525.654	2.527	0	40	KFAB	
COc1cc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4ccccc4F)CC3)c(=O)[nH]c2cc1OC	6136477	ZIFLGQHDDQUOTN-NIYFSFCBSA-N	549.607	2.762	0	40	KFAB	
Cc1ccc(NC(=O)CSc2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)s2)cc1	8684016	NOIZRKUWDHEQCM-UHFFFAOYSA-N	533.657	2.851	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@@H]1c1ccc(SC)cc1	8767081	LZNKWWOTCRDRAL-MWKGPOOMSA-N	538.695	2.865	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(CCCO)[C@H](C(=O)NC3CCCC3)c3ccc(C)cc3)n2)cc1	12701917	QSMYOUPHAJZSID-VWLOTQADSA-N	506.607	2.668	0	40	KFAB	
COc1ccc(NC(=S)N(CCN2CCOCC2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1	13570708	STRFAHUAHKZUFY-UHFFFAOYSA-N	510.616	2.839	0	40	KFAB	
O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1	14155484	OHMGBXSLPZOABV-UHFFFAOYSA-N	501.586	2.761	0	40	KFAB	
Cn1cnnc1SCC(=O)Nc1ccc(-c2nc3cc(NC(=O)CSc4nncn4C)ccc3[nH]2)cc1	29749283	QREFQYXJIFOPBC-UHFFFAOYSA-N	534.631	2.949	0	40	KFAB	
O=C(Nc1ccc(C(=O)O)cc1)Nc1ccc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1	45364502	ZXONVJJRRBXWDX-UHFFFAOYSA-N	505.535	2.554	0	40	KFAB	in-vitro
CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc(Cl)cc3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	70664694	JWTWVAVUQMMSIC-IEAFHPEVSA-N	592.981	2.933	0	40	KFAB	
COc1ccc(OC)c2c(C)cc(N3CCN(S(=O)(=O)c4ccc5c(c4)CCCN5S(C)(=O)=O)CC3)nc12	98007995	IJFLZCRJRIIEFO-UHFFFAOYSA-N	560.698	2.784	0	40	KFAB	
O=C(C[S@@](=O)CC(=O)N(CC(=O)NC1CCCC1)Cc1ccccc1Cl)Nc1ccc2c(c1)OCO2	100293887	LLHJRGUOLZUYLX-BHVANESWSA-N	534.034	2.844	0	40	KFAB	
C[C@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O	102625322	VIRHHEQMCQPPFZ-FYSMJZIKSA-N	531.565	2.849	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)CC2)cc1	103092468	DOJJENHHZVHNKK-UHFFFAOYSA-N	597.715	2.826	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccccc4)coc3c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	103692551	IKJNNQJEFRCUHB-MZCDCCSRSA-N	568.531	2.922	0	40	KFAB	
CN(C)S(=O)(=O)c1cccc(/N=C2\S[C@H](CC(=O)Nc3cccc([N+](=O)[O-])c3)C(=O)N2C[C@@H]2CCCO2)c1	109050241	UINYSFFWXJFRHL-CUJDSXLSSA-N	561.642	2.984	0	40	KFAB	
Cc1n[nH]c(SCCNC(=O)COc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)n1	222725779	BGWXLNBBAXEIOS-UHFFFAOYSA-N	526.438	2.964	0	40	KFAB	
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)NC[C@@H]1COc2ccccc2O1	225248771	NTRXNSGUBMVMAY-LJQANCHMSA-N	514.531	2.748	0	40	KFAB	
CC(C)[C@H](C(=O)O)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C[C@@H]2[C@H]2[C@H]1Sc1[nH]c(=O)sc1[C@H]2c1ccccc1O	245228711	CXHOWVXUEZYAFS-SNVWQUGDSA-N	500.598	2.725	0	40	KFAB	
CS(=O)(=O)N(CC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCCN1CCOCC1)Cc1ccccc1	260719599	JZQIFEFHKQRYBO-SSEXGKCCSA-N	610.752	2.676	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCC2)cc1	260802601	PNWHQVSFZWAIEV-LJQANCHMSA-N	547.674	2.955	0	40	KFAB	
CCc1nnc(S/C(=C\c2cc(I)c(OCC(=O)O)c(OC)c2)C(=O)O)o1	408631301	HCVJPWMXBIGGPV-WDZFZDKYSA-N	506.274	2.926	0	40	KFAB	
O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)N1CCO[C@]2(CCCCc3ccccc3OCCNC2=O)C1	643554584	FUNJNQIPJMIYRX-AREMUKBSSA-N	525.009	2.513	0	40	KFAB	
Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)C(=O)OCc2ccc(CC(=O)O)cc2)cc1	667567969	YSYVFFIUDVEHJW-QFIPXVFZSA-N	576.672	2.842	0	40	KFAB	
C[C@]1(c2cc(NC(=O)c3cnc(OCF)cn3)ccc2F)NC(=N)SCC12CCS(=O)(=O)CC2	1772820610	DZTJZUAOGBUBNK-HXUWFJFHSA-N	511.576	2.855	0	40	KFAB	
COc1ccc(CCN(C(=O)/C=C/C(=O)O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)cc1	1781576	QYWDUJSTZZVDAU-GNISGLHKSA-N	501.333	2.802	0	40	KFAB	
CCOC(=O)[C@](NC(=O)CC)(Nc1cc([C@@](O)(C(=O)OCC)C(F)(F)F)ccc1OC)C(F)(F)F	8934157	MWMVTQIFILMRRN-QZTJIDSGSA-N	518.407	2.768	0	40	KFAB	
O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccccc1Cl	59781914	ISXKDBIOLLQOAQ-OAQYLSRUSA-N	537.970	2.837	0	40	KFAB	
CC[C@H](C)n1c(SCC(=O)N(CC)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)nc2ccccc2c1=O	72139339	SDQKKKKIVXEZCR-KRWDZBQOSA-N	534.642	2.993	0	40	KFAB	
CC(=O)O[C@H]1[C@H](C)O[C@H](O[C@H]2CC[C@]3(C)[C@H]4[C@H](OC(C)=O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](OC(C)=O)[C@@H]1OC(C)=O	85902218	DLOMXAWRMLVFKA-QLEXYYOMSA-N	720.809	2.825	0	40	KFAB	biogenic
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OC)c3C(=O)OC)c(=O)n2[C@H]1c1ccc(OC)cc1OC	100150570	QFTOGXXTFZRXKS-GXPYYPFNSA-N	582.631	2.619	0	40	KFAB	
COc1cc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)ccc1-n1cnnn1	100336814	IOQKLWVQTPHLIQ-SKCUWOTOSA-N	585.600	2.624	0	40	KFAB	
COc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccccc2)c1	106540434	BHBFONAQTXHLHG-UHFFFAOYSA-N	545.639	2.550	0	40	KFAB	
CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O	209732589	UVBUBMSSQKOIBE-WLSQKSOISA-N	721.838	2.564	0	40	KFAB	biogenic
CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O	222651765	MMVXADIHVAHPBG-CQSZACIVSA-N	502.420	2.931	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O	222700567	ZYAWUYXBSJFHCD-AWEZNQCLSA-N	502.420	2.931	0	40	KFAB	
CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	224620250	FZZJAQJYKAPHIQ-NRFANRHFSA-N	503.621	2.557	0	40	KFAB	
CC(C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	224691975	XQXUBYAQADPIPK-MRXNPFEDSA-N	554.463	2.886	0	40	KFAB	
COC(=O)/C=C/CC/C=C/[C@H](OC)[C@H](O)[C@H](C)/C=C(/C)[C@H](O)[C@H](C)C(=O)CCC[C@H](CC(N)=O)CC(=O)OC	225418498	BJMXBTRNBWZGEQ-RNKGZBMTSA-N	553.693	2.801	0	40	KFAB	biogenic,in-vitro
CC(C)CNS(=O)(=O)c1ccc(CCC(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1	226051868	IZMZUCSATRDCTG-UHFFFAOYSA-N	521.705	2.697	0	40	KFAB	
COc1ccc(OC)c(NC(=O)COC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1	408685232	KZYPJIWYICBABS-KXAAMDFLSA-N	506.555	2.828	0	40	KFAB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cccc(OC(C)=O)c4)c(=O)n32)cc1OCC	408954482	XCSKENKQFJJKLO-JDQXFBDKSA-N	522.579	2.741	0	40	KFAB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(I)c(OC)c(OC)c3)C2=O)o1	409399546	JLFUHVAGKMSEQU-QPEQYQDCSA-N	512.256	2.781	0	40	KFAB	
CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[C@@H](c1ccc(O)c(OC)c1)c1oc(C)cc(=O)c1O	524731324	STVSJTBRSLSJQF-PZJWPPBQSA-N	519.554	2.845	0	40	KFAB	biogenic
COc1ccc(S(=O)(=O)Nc2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(C(=O)COc3ccccc3)C2)cc1	3841335	KURHWFPLVNEJFL-RBUKOAKNSA-N	509.584	2.682	0	40	KFAB	biogenic,in-vitro
CCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(CCOC)C(=O)c2snc(C(N)=O)c2N)cc1	6601317	XIKCFHHJPFMFKJ-FQEVSTJZSA-N	503.625	2.502	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)o3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	8438627	DAUPOYSYGQOGSW-CBIIRDDDSA-N	511.600	2.865	0	40	KFAB	
CCOC(=O)CSc1nc2cc3c(cc2c(=O)n1CCC(=O)NCCc1ccc(OC)c(OC)c1)OCO3	60230819	VIXSYYJJYPHKOL-UHFFFAOYSA-N	543.598	2.547	0	40	KFAB	
CCOC(=O)c1ccc(NC(=O)Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3c2c(C)nn3CC)cc1	64775077	CQHWOBKOQGRHGD-UHFFFAOYSA-N	507.522	2.691	0	40	KFAB	
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O)C(C)C)C(=O)O	70707293	WEBDYYQPNJARBQ-JEQOYQROSA-N	561.639	2.711	0	40	KFAB	biogenic
COc1ccc(C2=NO[C@@H]3[C@@H]4C[C@@H]([C@H]5C(=O)N(CCc6ccc(OC)c(OC)c6)C(=O)[C@@H]45)[C@H]23)c(OC)c1	101322207	SDUHJNKQTQLRKU-PFQGWZCLSA-N	506.555	2.934	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)CCCc4ccccc4)C3)CC2)cc1	216332662	OQIITQLFMQLHKQ-XMMPIXPASA-N	533.716	2.503	0	40	KFAB	
CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	222624274	WSMCTFJALKXGBJ-OAQYLSRUSA-N	523.627	2.941	0	40	KFAB	
CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O	222818730	YRJOUPBJXDCKTM-HSZRJFAPSA-N	505.637	2.802	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	223075570	UGKDFTLGWRETAT-HNNXBMFYSA-N	522.421	2.537	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225187841	ADIOGEVOAAZLOQ-GOSISDBHSA-N	521.611	2.697	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2cccc(C(C)=O)c2)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C)c1	260890844	LQBRALHAYSHKIM-LJQANCHMSA-N	517.648	2.853	0	40	KFAB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OCC(N)=O)c(Br)c3Br)C2=O)o1	409402617	XJZREGFBEGSRAU-WZUFQYTHSA-N	587.177	2.557	0	40	KFAB	
COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)c3cc4c(=O)n(CC(=O)c5ccc6c(c5)OCCO6)c(=O)n(C)c4nc3C[C@H]1C)C2=O	1547208457	CSWLUGLOENNNPH-ZZQWGBOMSA-N	648.024	2.809	0	40	KFAB	biogenic
Cc1cccn2c(=O)c3c(nc12)N1CCc2ccccc2[C@@H]1[C@@]1(C3)C(=O)NC(=O)N(CCc2ccccc2)C1=O	2434001	RBGHWCNEXVXEIV-XJFCNFDWSA-N	533.588	2.970	0	40	KFAB	
COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC(C)(C)NC3(C)C)cc1	4177883	AXFJVTATHRTCRN-UHFFFAOYSA-N	552.719	2.542	0	40	KFAB	
CCOC(=O)CNC(=O)[C@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1CC	6860592	VMDRXXMAHYOHPC-NRFANRHFSA-N	527.578	2.593	0	40	KFAB	
COc1ccccc1-c1nnc(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)n1-c1ccc(Cl)cc1	12542314	BPMAENGSTHJTEC-UHFFFAOYSA-N	512.979	2.551	0	40	KFAB	
O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C1CCCC1)N1CCN(Cc2ccco2)CC1)OCO3	20084306	HQFYAUNZGISIDZ-XMMPIXPASA-N	503.563	2.859	0	40	KFAB	
COc1cc([C@@H](Nc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)C(=O)NC[C@@H]2CCCO2)cc(OC)c1OC	100353829	LAZTWJYUGPHMKS-STWLZBDKSA-N	563.673	2.618	0	40	KFAB	
COC(=O)c1cc(-c2ccc(OC)cc2)n(-c2nc3c(c(=O)n(C)c(=O)n3C)n2CCCc2ccccc2)n1	102802797	LICGQZPNWGUOEQ-UHFFFAOYSA-N	528.569	2.714	0	40	KFAB	
Cc1ccc(NC(=O)[C@H](C)OC(=O)Cc2ccc(Br)cc2)cc1S(=O)(=O)N1CCOCC1	103098837	YFEMDDUYIXEWJT-INIZCTEOSA-N	525.421	2.891	0	40	KFAB	
CCOC(=O)c1oc2cc(O[C@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)ccc2c(=O)c1-c1cscn1	150419168	SFBDPQSPXMSRAI-VHFJOFKHSA-N	647.611	2.555	0	40	KFAB	
Cc1ccc(S(=O)(=O)NCCNC(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2C)cc1	222803612	RDLBCHRLQJBLFO-UHFFFAOYSA-N	535.619	2.717	0	40	KFAB	
Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)N1C[C@@H](C(=O)NCCc2ccccc2)Oc2ccccc21	222814877	QLDULVYZOPIVJT-SANMLTNESA-N	537.638	2.777	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	223172055	KWJUMAQHVQZHLN-HZPDHXFCSA-N	536.448	2.926	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O	223507232	AYKVASFLROTFFI-IBGZPJMESA-N	515.632	2.954	0	40	KFAB	
Cc1ccc(CN(C(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCC2)cc1	223811140	OBAWXVNESBOSAD-IBGZPJMESA-N	515.632	2.966	0	40	KFAB	
CC[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)N(c1ccc(C)cc1)S(C)(=O)=O	224393404	UFHVWRGFDHPCRX-DEOSSOPVSA-N	537.704	2.909	0	40	KFAB	
CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	225444469	GAXXPKUHZXKDJP-QHCPKHFHSA-N	506.644	2.815	0	40	KFAB	
COc1ccc(N(CC(=O)N2CCC(C(N)=O)CC2)S(=O)(=O)c2cc(C)ccc2OC)cc1Cl	408591029	IMTMKKAYFZWWNV-UHFFFAOYSA-N	510.012	2.585	0	40	KFAB	
O=C(CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)NCCN1CCOCC1	408619252	GWENADQFWYOTET-UHFFFAOYSA-N	504.411	2.772	0	40	KFAB	
COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)ccc1OCC(=O)O	409149432	GCMJNYDBSAHSIH-FYJGNVAPSA-N	527.555	2.670	0	40	KFAB	
CC[C@H](C)n1nc(N2CC(C(C)(C)O)C2)c2cnc(Nc3ccnc(-c4cnn(S(=O)(=O)C5CC5)c4)n3)cc21	584905305	RDWYRIOEHIKPRE-INIZCTEOSA-N	551.677	3.347	0	40	KFAB	in-vitro
COCC(=O)N1CCN(Cc2cccc(OCCCn3cc(C)cn3)c2)C[C@@](O)(COc2ccccc2)C1	585270279	BCVMHMHRHRDHMO-LJAQVGFWSA-N	522.646	2.761	0	40	KFAB	
CCOC(=O)Cn1nnnc1[C@@H](CC)N(Cc1ccc2c(c1)OCO2)Cc1cc2ccc(OC)cc2[nH]c1=O	1374702	LHEHQVJMHVNIAU-JOCHJYFZSA-N	534.573	2.969	0	40	KFAB	
CCOc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCCOC)c2ccc(F)cc2)cc1	6601042	YSTVDGAFASBYMH-HXUWFJFHSA-N	515.567	2.513	0	40	KFAB	
COCCn1nnnc1[C@@H](c1cc2ccc(OC)cc2[nH]c1=O)N1CCN(c2cc(C)ccc2C)CC1	19973298	ZJRMIIVSEHCRSM-RUZDIDTESA-N	503.607	2.698	0	40	KFAB	
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	70455212	LBHUIJRTHBBWHP-GRVKTFRUSA-N	516.672	2.521	0	40	KFAB	biogenic,in-vitro
CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc(Cl)cc3)c(O)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	70664698	JWTWVAVUQMMSIC-RKJAVHAZSA-N	592.981	2.933	0	40	KFAB	
Cc1cc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@H]2CCCO2)c2ccccc2)ccc1-n1cnnn1	100334935	RITSVPRLOJZBMM-LXFBAYGMSA-N	551.611	2.785	0	40	KFAB	
CC[C@@H](Sc1nc2cc3c(cc2c(=O)n1CCCC(=O)NCc1ccc2c(c1)OCO2)OCO3)C(=O)N1CCOCC1	102755695	FJJCWUVEQLEGJB-RUZDIDTESA-N	596.662	2.680	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1	103101129	YQCCVXVSEHTKGN-UHFFFAOYSA-N	544.051	2.560	0	40	KFAB	
COc1ccc(OC)c(N(CC(=O)NCc2cccnc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	113936050	DYTPQJLBHMKSHC-UHFFFAOYSA-N	501.561	2.628	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	222510605	ULRLOZUUFUKQBX-XMMPIXPASA-N	557.644	2.995	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O	223050877	ZPHFFHSHRPNSEK-MRXNPFEDSA-N	526.453	2.777	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O	224003124	QEOHCNHKBBXIHO-LJQANCHMSA-N	505.637	2.803	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)c2ccc(C)cc2)cc1	224212203	WZCZCGDQKQPMGG-UHFFFAOYSA-N	561.682	2.644	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1ccccc1F)[C@@H](C)C(=O)NC(C)C)c1ccc2c(c1)OCO2	224663998	UQJNHGGGMIYNCS-KRWDZBQOSA-N	507.584	2.652	0	40	KFAB	
CCCOc1ccccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc4c(c3)OCO4)c(=O)n21	409014547	MWMCLIZLUIAZEY-XSZPGNIMSA-N	536.606	2.942	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OCCn3cc(Cl)cn3)cc2)C[C@@](O)(COc2ccc(F)c(F)c2)C1	585279648	FDUXSRFVYGHSMD-MHZLTWQESA-N	565.017	2.994	0	40	KFAB	
CC(C)C[C@@H]1COc2ccc(Cl)cc2C(=O)NCCCCN(C(=O)CCCn2cncn2)CC(=O)N1	643556852	QWRJPCRUOBKUBO-HXUWFJFHSA-N	519.046	2.674	0	40	KFAB	
CN(C)S(=O)(=O)c1cccc(C(=O)Nc2cccc(NC(=O)c3cccc(S(=O)(=O)N(C)C)c3)c2)c1	3203288	QJIUVVUDUPLSDH-UHFFFAOYSA-N	530.628	2.692	0	40	KFAB	
COc1ccc2cc([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CCN(C(=O)c4ccco4)CC3)c(=O)[nH]c2c1	6282868	VJHKOPFYDCNBPL-VWLOTQADSA-N	543.559	2.851	0	40	KFAB	
COc1ccc([C@@H](C(=O)NCc2ccccc2)N(CCN2CCOCC2)C(=O)Cn2nnc3ccccc32)cc1	7059097	UZOCLYXNSHPTQQ-LJAQVGFWSA-N	542.640	2.658	0	40	KFAB	
CCN(CC)C(=O)CN1C(=O)[C@@]2(N[C@@H](CC(C)C)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)c2ccccc21	8869060	HNCICGFNJFYBRP-ZCTJEENXSA-N	516.642	2.916	0	40	KFAB	
COc1cc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4ccccc4)CC3)c(=O)[nH]c2cc1OC	20080742	RRQGSJQKZGJBGZ-HFZDXXHNSA-N	531.617	2.622	0	40	KFAB	
COc1ccccc1C(=O)OCCN[C@@]1(C(=O)c2ccccc2)C(=O)c2ccccc2S(=O)(=O)N1C	25180058	KAJSJCWZYRBFLQ-AREMUKBSSA-N	508.552	2.538	0	40	KFAB	
CCOc1ccc(N([C@@H](C)C(=O)Nc2cc(S(=O)(=O)NC(C)C)ccc2OC)S(C)(=O)=O)cc1	30855064	HTZSAHZGPVJXLR-INIZCTEOSA-N	513.638	2.574	0	40	KFAB	
C/C(=C\C(=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	33838878	MINDHVHHQZYEEK-VAMLDGRZSA-N	500.629	2.593	0	40	KFAB	
COc1cc(C(=O)Nn2ccc3c(nnc4c(-c5ccc(F)cc5)c(C)nn43)c2=O)cc(OC)c1OC	40392018	OAYPNGZLZHPLGQ-UHFFFAOYSA-N	504.478	2.963	0	40	KFAB	
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@H](Cc1ccccc1)C(=O)O	70706361	WWINRDXLWQQKMF-VJGNERBWSA-N	570.646	2.817	0	40	KFAB	biogenic
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@@H](NC(=O)c2cc(-c3ccccc3)nc3ccccc23)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	97983234	VVMNWCWAUDNQKP-QVNPJVKASA-N	578.574	2.715	0	40	KFAB	
COc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(OC)c(N(C)S(=O)(=O)c3ccccc3)c2)cc1	102415911	MXJFCPGGUUAZRL-UHFFFAOYSA-N	533.628	2.836	0	40	KFAB	
CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1	103017013	OGHNXVRQSVGZES-UHFFFAOYSA-N	535.688	2.870	0	40	KFAB	
CNS(=O)(=O)c1ccc(C)c(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2)c1	222699599	CQEJEXUYWMCSSA-UHFFFAOYSA-N	519.601	2.730	0	40	KFAB	
CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	225269767	CETWIKGSHSYNEY-HXUWFJFHSA-N	507.584	2.654	0	40	KFAB	
CC(C)NC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(C4CCCCC4)C[C@H]3C(=O)NC[C@H]1O2	253407932	WWYNIPJESIVANV-CFJXPYFLSA-N	555.720	2.668	0	40	KFAB	
O=C(CCCC(=O)NN=Cc1ccc(I)o1)NN=Cc1ccc(I)o1	254304366	SSEWRQHRBXIFDM-UHFFFAOYSA-N	568.109	2.853	0	40	KFAB	
CN(C)c1ccc(-n2cccc2/C=C2\NC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)cc1	408960884	PGLCAWGBJLFHGG-BWAHOGKJSA-N	514.586	2.911	0	40	KFAB	
COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(I)c(OCC(=O)O)c(I)c2)C1=O	409234714	XPIKPFKLXHTTNH-OVCLIPMQSA-N	677.189	2.899	0	40	KFAB	
O=C(NCc1ccc(C(=O)N2CCOCCOCCOCCOCCOCC2)cc1)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1	616580993	IGXZXQVDCGNEDW-UHFFFAOYSA-N	659.736	2.952	0	40	KFAB	
O=C1NC2(CCOc3cc(-c4ccc(F)cc4F)ccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(Cc1csnn1)CC2	1548889649	JSNJULRQRHGAJD-OFNKIYASSA-N	605.689	2.541	0	40	KFAB	
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(N)=O)C(C)C	4574676	JGZHHIOHNGYFHO-HMNCIZAVSA-N	548.681	2.560	0	40	KFAB	
O=c1nc([C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)[nH]c2c1nnn2Cc1cccc(Cl)c1	6161836	ZRNIKLXITZRSGY-MRXNPFEDSA-N	543.005	2.556	0	40	KFAB	
Cc1ccc(C(=O)CCC(=O)OCC(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1	12923411	YENKSFIXBROCTA-UHFFFAOYSA-N	520.586	2.671	0	40	KFAB	
CCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NCCCc3ccccc3)c2=O)cc1	45899541	ZAWNFJXZJVFRKV-UHFFFAOYSA-N	512.610	2.970	0	40	KFAB	
Cc1ccc(Cl)cc1N1CCN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2CC(=O)c2ccccc2)CC1	56896001	VIVIJSOBSWREHR-UHFFFAOYSA-N	506.994	2.590	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCC(N(C)C)CC4)o3)c(=O)n2[C@@H]1c1ccccc1	59418576	APPXQOCDDHTFRP-YPKVGQCMSA-N	520.655	2.922	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)C2)cc1	59838766	MPAXHLKYNBJJKL-NRFANRHFSA-N	535.688	2.587	0	40	KFAB	
O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]2C(=O)N1CCOCc1ccccc1)[C@H]1[C@H]2C(=O)N(CCOCc4ccccc4)C(=O)[C@@H]2[C@H]31	100129579	JCNCGBKWUNBWRO-LAJHIBSWSA-N	540.616	2.684	0	40	KFAB	
O=C1[C@@H]2[C@@H](C(=O)N1CCOCc1ccccc1)[C@@H]1C=C[C@@H]2[C@H]2[C@H]3C(=O)N(CCOCc4ccccc4)C(=O)[C@@H]3[C@H]12	100129585	JCNCGBKWUNBWRO-UVOVEWRNSA-N	540.616	2.684	0	40	KFAB	
O=S(=O)(NC1CC1)c1ccc(S(=O)(=O)N2CCC(c3nc(O)c4nnn(Cc5ccccc5Cl)c4n3)CC2)cc1	100446273	FBINAECDQIMZCF-UHFFFAOYSA-N	604.114	2.638	0	40	KFAB	
COc1ccc(C[C@]2(CN3C[C@H]4C[C@H](C3)c3cccc(=O)n3C4)C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1OC	100747809	VDNDMXJHXMOBLZ-LFQYBHLRSA-N	570.646	2.792	0	40	KFAB	biogenic
CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@@H](Cc2ccccc2)C(=O)NCCO)cc1	223233372	JYQDEKUSLKRYFP-NDEPHWFRSA-N	567.708	2.675	0	40	KFAB	
Cc1cccc(CN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)[C@@H](C)C(=O)NCC(C)C)c1	224163585	QKTJTRDZZLOCCX-FQEVSTJZSA-N	506.644	2.936	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	224717996	BYRMVMNMFUNHQF-LJQANCHMSA-N	505.637	2.722	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	225433928	JMFRSNBCYXNINQ-WOJBJXKFSA-N	519.664	2.844	0	40	KFAB	
Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(C)cc2)cc1	225845906	AARHUJRJOVJOCJ-UHFFFAOYSA-N	513.641	2.763	0	40	KFAB	
COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NCCc2ccccc2)cc1	260714691	DXIWPDBCHUHGSP-HHHXNRCGSA-N	537.682	2.885	0	40	KFAB	
CN(CC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCc1ccc2c(c1)OCO2)S(C)(=O)=O	260722542	PRZXOWOOMKRCPK-XMMPIXPASA-N	537.638	2.563	0	40	KFAB	
Cc1ccccc1CN(C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C)[C@H](C)C(=O)NCC(C)C	260870704	DXBHFBJMWIGJLA-HXUWFJFHSA-N	506.644	2.936	0	40	KFAB	
CC[C@@H](O)[C@@](C)(O)[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@@]2(C)CC(C)=C(O2)[C@@H]1C	267327646	NMIWBQUQCOMGHJ-FYFYGOHNSA-N	715.922	2.892	0	40	KFAB	biogenic,in-vitro
COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O	408611137	SAPKVRLJNIPYMS-UHFFFAOYSA-N	501.355	2.658	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC(C)=O)c(=O)n2[C@H]1c1ccc(OC)cc1OC	408738400	SDZNJCDDKOJAAX-MFUBYVTQSA-N	522.579	2.741	0	40	KFAB	
CCOc1cc(C(=S)N2CCN(C)CC2)cc(I)c1OCC(=O)N1CCCC1	409253620	XLMDLWFOGOMMSL-UHFFFAOYSA-N	517.433	2.614	0	40	KFAB	
COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCCC(C)C)c2ccncc2)cc1OC	6076929	NEEMYVVTEIMEJS-OAQYLSRUSA-N	526.619	2.787	0	40	KFAB	
COc1ccc(N2C(=O)[C@@H]3[C@@H](C)N[C@]4(C(=O)N(CC(=O)N5CCc6ccccc65)c5ccccc54)[C@@H]3C2=O)cc1	100164709	NUTRBPOVFCDQAB-SPBCFDDISA-N	536.588	2.624	0	40	KFAB	
C[C@@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N(CC(=O)Nc3ccccc3)C[C@@H]3CCCO3)cc2)C1	100380795	ZULIGYPHCSKUQL-IRLDBZIGSA-N	535.688	2.916	0	40	KFAB	
COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]2[C@H]2C[C@H]3[C@@H]3C(=O)N([C@@H](C(=O)O)C(C)C)C(=O)[C@H]23)ccc1O	100872323	DNCGAAGWWHHLHQ-DNEHIRLDSA-N	530.624	2.733	0	40	KFAB	
COc1ccccc1NS(=O)(=O)c1ccc(Cl)c(NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1	101987565	DCKOXRQGUDVKKD-GKHNXXNSSA-N	515.975	2.895	0	40	KFAB	
CCOC(=O)c1ccccc1C(=O)N1CCOCCOCCN(C(=O)c2ccccc2C(=O)OCC)CCOCC1	103892533	KDNFNOUBDVXBIP-UHFFFAOYSA-N	570.639	2.688	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O	222509847	SOGSHRQCRQTWMU-RUZDIDTESA-N	527.618	2.986	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	222920942	ZKGQMNKNBKDMFN-KRWDZBQOSA-N	524.039	2.821	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	223120218	NOJYKIGKQVJLDY-QZTJIDSGSA-N	510.607	2.910	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O	224058580	LALOODBDJBDTSA-HNNXBMFYSA-N	531.603	2.941	0	40	KFAB	
COc1ccc(N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)cc1OC	224089126	DFKHRMIGUYECIL-FQEVSTJZSA-N	531.675	2.988	0	40	KFAB	
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(=O)[C@H](C)[C@@H]2OC(=O)O[C@]12C	257493651	NKLGIWNNVDPGCA-POPBTUBQSA-N	759.931	2.968	0	40	KFAB	biogenic
COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1	408544759	JIZUJVDPDFWQSR-UHFFFAOYSA-N	547.611	2.938	0	40	KFAB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(O)cc4O)c(=O)n32)cc1OCC	408933058	HBKHYLMCLDEWDG-YLQLIIAJSA-N	575.437	2.989	0	40	KFAB	
CCOC(=O)C1CCN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)CC1	409007656	YSDYZKGXZNLIHQ-UHFFFAOYSA-N	504.605	2.696	0	40	KFAB	
O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4cc(-c5ccncc5)ccc41)CC[C@@H]3O)N(C1Cc3ccccc3C1)C2	514287464	DQUSTNYOSMDREA-PLFSHAIMSA-N	582.701	2.896	0	40	KFAB	
COCC(=O)N1CCN(Cc2cccc(OCCn3cc(C)cn3)c2)C[C@](O)(COc2ccc(C)cc2)C1	585281403	ZRZGBVGFBZVPBZ-GDLZYMKVSA-N	522.646	2.680	0	40	KFAB	
Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(O)cc2)c1C	12473947	LGFHNBIFXFXLFJ-PGRDOPGGSA-N	523.615	2.830	0	40	KFAB	
CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc(Cl)cc3)c(O)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	70664696	JWTWVAVUQMMSIC-VNFNVIIVSA-N	592.981	2.933	0	40	KFAB	
CCC(=O)N1C2C3N(C(=O)CC)[C@H]4[C@H](N3C(=O)CC)N(Cc3ccccc3)[C@H]([C@H]1N4Cc1ccccc1)N2C(=O)CC	102789149	MQKHUBKLDDDSDY-MLQGNBROSA-N	572.710	2.956	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c2ccccc2)cc1	103053822	JRGNPYXBCQRIJE-UHFFFAOYSA-N	529.640	2.850	0	40	KFAB	
Cc1ccc(CNC(=O)COC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1	103128441	JYZUCUMDWRYSLX-UHFFFAOYSA-N	537.638	2.621	0	40	KFAB	
CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O	222890116	FEZPZJYFYZIHFR-QFIPXVFZSA-N	515.632	2.952	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223543508	IACUGWJRGSOTDP-IBGZPJMESA-N	503.621	2.557	0	40	KFAB	
C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1F)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	224688945	PIGMLHWEWWFZLB-QGZVFWFLSA-N	519.595	2.797	0	40	KFAB	
COC(=O)[C@H]1CN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)c(Cl)c3)C2)c2ccccc2O1	260737212	KLARFANHYSFEHM-YCRPNKLZSA-N	508.980	2.717	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OC)c(OCCn3cc(C)cn3)c2)C[C@](O)(COc2ccc(F)c(F)c2)C1	585273890	FRENVISOISBEEL-GDLZYMKVSA-N	574.625	2.658	0	40	KFAB	
Cc1ccc(OCCN(C)C(=O)[C@@H]2CC(=O)N[C@H](Cc3ccccc3)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1	643578945	KMKUZHMSTTWMNE-IZLXSDGUSA-N	586.689	2.599	0	40	KFAB	
CC(=O)N1CCCN(C2CCOCC2)CCCN(C(=O)CN2CCN(C(C)C)CC2)Cc2ccccc21	643579793	LADIIDVMKPTWAJ-UHFFFAOYSA-N	513.727	2.669	0	40	KFAB	
NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc4C3)c2)cc1	3260889	SJILQTZKUZOIEA-UHFFFAOYSA-N	534.059	2.707	0	40	KFAB	
CCOCCCN(C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccc(F)cc1	6600057	KDAFWEVEVOUTAR-HOFKKMOUSA-N	584.649	2.788	0	40	KFAB	
CCn1cc(C(=O)OCC(=O)N2[C@@H](C)CCC[C@H]2C)c(=O)c2cc(F)c(N3CCN(C(C)=O)CC3)cc21	13076111	IXIUZDZRNOIDLO-HDICACEKSA-N	514.598	2.775	0	40	KFAB	
CCOc1ccc(/C=C2\SC(=O)N(CCNC(=O)[C@H]3CS[C@]4(C)CCC(=O)N34)C2=O)cc1OC	32989034	PYKTUFMYUVOBIR-DXOYXINLSA-N	505.618	2.700	0	40	KFAB	
Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1	59852047	NZLRJPYNOYRFPV-UHFFFAOYSA-N	535.688	2.649	0	40	KFAB	
CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	223859576	WZHXDJBINRRTOH-KRWDZBQOSA-N	509.600	2.552	0	40	KFAB	
CN(C)[C@@H]1CC[C@@]2([C@@H](O)CNS(=O)(=O)c3ccccc3F)C[C@H](c3ccccc3)C[C@](C)(O2)[C@H]1O	257314927	UZENJWIUVNZGKV-WRSZTADOSA-N	506.640	2.642	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O	260967260	LXYXNUHNMPTEFZ-MOPGFXCFSA-N	505.637	2.802	0	40	KFAB	
COC(=O)COc1c(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)cccc1OC	408526271	AIOFQYDUNZHVJP-QGMBQPNBSA-N	500.485	2.651	0	40	KFAB	
CCCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccccc3Cl)C2)cc1	408653564	IMJFGICRXPRDPF-INIZCTEOSA-N	501.923	2.582	0	40	KFAB	
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3OC)cc2)cc1	408700458	GJEOZLBMFYWJHV-UHFFFAOYSA-N	561.638	2.778	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCC(=O)O)c(OC)c3)c(=O)n2[C@H]1c1cccs1	408841494	KURXTUZJGHOAHX-PSXSOWLISA-N	640.477	2.936	0	40	KFAB	
COC(=O)COc1c(Br)cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1OC	409101929	BXWSPQPGGJMHEA-RQZCQDPDSA-N	532.347	2.849	0	40	KFAB	
CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	409121136	WJAWVKWEHDJNBA-LVXARBLLSA-N	584.720	2.917	0	40	KFAB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(I)c(O[C@H](C)C(=O)O)c(OC)c3)C2=O)o1	409399377	HNFWMMUGJJUNFM-QOUOVQQFSA-N	570.292	2.624	0	40	KFAB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(O[C@H](C)C(=O)OC)c(OC)c3)C2=O)o1	409400917	VGXGHAZDDXFIOE-SHLUWWQESA-N	537.319	2.871	0	40	KFAB	
COc1cc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4ccc(F)cc4)CC3)c(=O)[nH]c2cc1OC	6136446	YEZZQRUCGNYSBP-LVXARBLLSA-N	549.607	2.762	0	40	KFAB	
CCOC(=O)CN(C(=O)Cn1nnc(-c2ccccc2F)n1)[C@H](C(=O)NC1CCCCC1)c1ccc(C)o1	6546249	PGVAZFVHIXBWTK-DEOSSOPVSA-N	526.569	2.963	0	40	KFAB	
CCOC(=O)CNC(=O)[C@H](c1c[nH]c2ccccc12)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(C)c1	6546915	XRHOJXOETZKTDM-QFIPXVFZSA-N	534.598	2.681	0	40	KFAB	
C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl	14360498	UFPDJNBWZPPWRP-LBPRGKRZSA-N	502.376	2.544	0	40	KFAB	
COc1ccc(S(=O)(=O)NC[C@@H](O)Cn2c3ccccc3c3ccccc32)cc1N(C)S(C)(=O)=O	16915385	IHLDQYGHZXACRC-QGZVFWFLSA-N	517.629	2.538	0	40	KFAB	
COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(OC)c(OC)c3)S(C)(=O)=O)cc2)c1	59882027	NTAUWUCHSGQFST-UHFFFAOYSA-N	579.653	2.927	0	40	KFAB	
Cc1c(NS(=O)(=O)c2ccc(Cl)c(C(=O)O[C@H](C)C(=O)NC[C@@H]3CCCO3)c2)c(=O)n(-c2ccccc2)n1C	102923674	SRRZAJAPKAEPFU-MJGOQNOKSA-N	577.059	2.779	0	40	KFAB	
CC(C)NS(=O)(=O)c1ccc(Br)c(C(=O)O[C@@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c1	103121244	PKRSVEOSMYEAHD-NSHDSACASA-N	580.379	2.853	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	222768488	XERMIJHJFWBYKE-AWEZNQCLSA-N	519.426	2.909	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1	224345445	OHARVPXJOHAPDN-UHFFFAOYSA-N	579.741	2.782	0	40	KFAB	
Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc2C)cc1	224453051	ODDNIQKHBWTNBG-UHFFFAOYSA-N	573.693	2.934	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3C(=O)NC[C@H]3CCCO3)C2)cc1	408714488	RULNFOLHVQVMIV-UYAOXDASSA-N	501.605	2.643	0	40	KFAB	
COc1cc(CNC[C@]2(O)CCCN(c3cc(N(C)C)ncn3)C2)ccc1OCCN1CCC(C)CC1	2037924040	NBMKQSMRZJWATD-MUUNZHRXSA-N	512.699	2.783	0	40	KFAB	
COc1ccc(C(=O)Cn2nnc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)n2)cc1	1372688	JDBCAFWFVNJJHS-UHFFFAOYSA-N	507.528	2.804	0	40	KFAB	
COc1cc(C(=O)Nc2ccc(C(C)=O)cc2)ccc1O[C@@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	8431873	ZLAQSJKIEJDEJR-XINFYQGXSA-N	615.588	2.612	0	40	KFAB	
Cc1ccc(C(=O)N[C@@H](C(=O)N2CCN(C(=O)c3ccccc3)CC2)S(=O)(=O)c2ccccc2)cc1	9764167	GFEMDQQGJOYHDL-RUZDIDTESA-N	505.596	2.509	0	40	KFAB	
CCn1cc(S(=O)(=O)N(c2cccc(CCc3ccccn3)c2)S(=O)(=O)c2cnn(CC)c2)cn1	14000318	OUXBXZPGARAFJY-UHFFFAOYSA-N	514.633	2.884	0	40	KFAB	
CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)N2CCN(Cc3ccc4c(c3)OCO4)CC2)ccc1C	22798090	VPWCTKXWRDTLQV-HXUWFJFHSA-N	516.664	2.899	0	40	KFAB	
CC(C)CN(C(=O)CN(C)C(=O)CSc1ccc(Cl)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	32971931	NDNHVPPLWBWGFD-UHFFFAOYSA-N	510.060	2.668	0	40	KFAB	
COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2c[nH]c3ccccc23)c1	38145175	PIRNECKNMJAWMT-UZUQRXQVSA-N	548.625	2.997	0	40	KFAB	
COc1cc(OC)c2c(C)c(CC(=O)N3CCC(C(=O)NCCC(=O)O)(c4ccccc4)CC3)c(=O)oc2c1	97957099	REXXWYNZIZHZEI-UHFFFAOYSA-N	536.581	2.812	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(=O)c(-c4cscn4)c(C)oc3c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	103261339	QLPBVUOEXHYSIY-COAUUZIYSA-N	589.575	2.687	0	40	KFAB	
CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCCNS(=O)(=O)c2ccc(C)cc2)C1	222607948	USOMCUXCTXUTSQ-GOSISDBHSA-N	544.095	2.543	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)CCCN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1	224230059	DTIOIRFXAXIFAK-UHFFFAOYSA-N	552.502	2.985	0	40	KFAB	
CC(C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O	225691761	RVUVNJDDPJTVOU-FQEVSTJZSA-N	517.648	2.946	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1cccc(OC)c1)[C@H](C)C(=O)NC(C)(C)C)c1ccc2c(c1)OCCO2	260769635	HROSOFOIRMPXPD-LJQANCHMSA-N	547.674	2.955	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O	260900586	DSFZNVFOYMWTAP-OALUTQOASA-N	505.637	2.802	0	40	KFAB	
O=C(O)COc1c(I)cc(/C=C2/SC(=O)NC2=O)cc1I	408780085	RRMNQINLIAYNLB-FPYGCLRLSA-N	531.065	2.683	0	40	KFAB	
CCCCN1C(=O)/C(=c2\sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)cc2)C(C(=O)OC)=C(C)N=3)c2ccccc21	2060532	WJJLNTRYSXBDSM-MYXKAAJQSA-N	545.617	2.850	0	40	KFAB	
CN(CC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)S(=O)(=O)c1ccc(Cl)cc1	2654542	YKILIUYEVFVCPV-UHFFFAOYSA-N	501.011	2.857	0	40	KFAB	
Cn1c(N)c(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(Cl)c(Cl)c2)c(=O)n(C)c1=O	3378426	OJOKSZDHHMGONN-UHFFFAOYSA-N	518.382	2.647	0	40	KFAB	
CCOC(=O)CC[C@H](NC(=O)CCCCCCCCC(=O)N[C@@H](CCC(=O)OCC)C(=O)OCC)C(=O)OCC	6546140	YBVVVXKPVPVQTE-VXKWHMMOSA-N	572.696	2.890	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCC(=O)O)c3)c(=O)n2[C@@H]1c1ccccc1OCC	8452220	QNNGQXXTHAOMND-JRXNCPAPSA-N	522.579	2.660	0	40	KFAB	
O=C(COC(=O)c1ccccc1SCC(=O)NC1CCCCCCC1)NCCN1C(=O)CSC1=O	12541337	ZHWJEOWKLYENRC-UHFFFAOYSA-N	521.661	2.976	0	40	KFAB	
C[C@H](O)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)OCC(=O)Nc1ccccc1OC(F)F	13128956	YYOBTGFSJFWORY-QKKBWIMNSA-N	508.499	2.651	0	40	KFAB	
COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)cc1Cl	14411224	HNBVJCUBYLQUDS-UHFFFAOYSA-N	502.014	2.538	0	40	KFAB	
O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1Cc1ccccc1)N1CCN(Cc2ccco2)CC1)OCO3	20084331	FLOKQKRMRJBSML-AREMUKBSSA-N	525.569	2.792	0	40	KFAB	
CCOc1ccc(N(CC(=O)NCCCCCCNC(=O)CN(c2ccc(OCC)cc2)S(C)(=O)=O)S(C)(=O)=O)cc1	59952821	SPLPYUXCWJQJNO-UHFFFAOYSA-N	626.798	2.509	0	40	KFAB	
Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@@]1(CC(O)=N2)C(=O)N(CC(=O)NCc2ccc(F)cc2)c2ccccc21	101411157	DDQIKULDRYRRLN-NDEPHWFRSA-N	551.542	2.927	0	40	KFAB	
O=C(COC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1F)NC(=O)Nc1ccc2c(c1)OCCO2	103016922	YJOIFEIEXAQCLO-OAQYLSRUSA-N	569.567	2.604	0	40	KFAB	
C[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C1=O	103140089	PUPQHFPHEQARRW-SANMLTNESA-N	541.029	2.793	0	40	KFAB	
CC1(C)S[C@H]2[C@@H](N3C(=O)c4ccccc4C3=O)CN2[C@@H]1NC(=O)N[C@H]1N2C[C@H](N3C(=O)c4ccccc4C3=O)[C@@H]2SC1(C)C	150382395	FWTMQQPVXHJRFT-BLPWRAMMSA-N	632.768	2.602	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCN(Cc2ccc(Br)cc2)CC1	224478917	MIBKEHUPPYESFI-UHFFFAOYSA-N	566.518	2.877	0	40	KFAB	
C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1F)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	224689930	UMTKEHVINPQYIO-GOSISDBHSA-N	533.622	2.839	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	225374996	RJWNGSGHVYAECZ-MSOLQXFVSA-N	501.605	2.562	0	40	KFAB	
CNS(=O)(=O)c1ccc(C)c(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	226012774	RSCUPMCVFGWMEE-UHFFFAOYSA-N	563.654	2.763	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)O)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409030133	CNAXDSNNUJKMGI-TWBUYNNTSA-N	689.537	2.975	0	40	KFAB	
COCCOCC(=O)OCCOCC(=O)Oc1ccc2c(=O)c(-c3ccc(OC)c(OC)c3)coc2c1	2061000018	QIWTXTFTRLHEOK-UHFFFAOYSA-N	516.499	2.605	0	40	KFAB	
CCOC(=O)c1ccc(NC(=O)c2ccc(O[C@@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)c(OC)c2)cc1	8431867	PUSBLAHHWCDZSD-JIDQCGGVSA-N	645.614	2.586	0	40	KFAB	
COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(C)cc2)c1	12706241	MHJVWYBKLHGAAD-DENIHFKCSA-N	523.615	2.825	0	40	KFAB	
COC(=O)[C@]1(Cc2ccc(O)cc2)N[C@H](c2cccs2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21	20150765	SWAGACNLJXQZTJ-IILZIBOQSA-N	520.563	2.830	0	40	KFAB	
Cc1ccc(C)c(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)S(=O)(=O)N(C)C)c1	44885025	YGKNKQSUBNFGAW-UHFFFAOYSA-N	517.633	2.751	0	40	KFAB	
Cc1ccc(S(=O)(=O)NCCNC(=O)COc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2C)cc1	222779119	XDQOPWWBDBRBPW-UHFFFAOYSA-N	543.667	2.528	0	40	KFAB	
C[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223116670	XYWJXALYVQWYFS-LJQANCHMSA-N	517.648	2.598	0	40	KFAB	
COc1ccc(S(=O)(=O)NC(C)C)cc1NS(=O)(=O)c1nnc(NC(=O)c2ccc(C)cc2)s1	223231657	HGTDHEWKZOBKFR-UHFFFAOYSA-N	525.634	2.595	0	40	KFAB	
Cn1c2c(c(=O)n(C)c1=O)C[C@@]1(CCCN(C(=O)CCCn3c(C(F)(F)F)nc4ccccc43)CC1)O2	257317821	VLGZPTTXQJNZGL-DEOSSOPVSA-N	519.524	2.619	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)[C@H](C)C(=O)NC(C)(C)C)cc1	260823496	YRUDVLIITNHDDK-GOSISDBHSA-N	535.663	2.810	0	40	KFAB	
COC(=O)c1ccccc1NC(=O)[C@H](OC(=O)c1ccc(OC(C)=O)c(OC)c1)[C@H](OC(=O)c1ccc(OC(C)=O)c(OC)c1)C(=O)O	409383514	WBICTHMRHGOEAE-SXOMAYOGSA-N	667.576	2.815	0	40	KFAB	
NC(=O)C[C@@H](c1cccc(Oc2ncccn2)c1)c1oc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c1O	524729267	LRHIJUHNIMNCGA-RFWXGWTQSA-N	555.591	2.716	0	40	KFAB	biogenic
COCC(=O)N1CCN(Cc2cccc(OCCCn3ccnc3)c2)C[C@](O)(COc2ccc(C)cc2)C1	585274098	VXAOBJYQGPGYKW-GDLZYMKVSA-N	522.646	2.761	0	40	KFAB	
COCC(=O)N1CCCN(C(C)C)CCN(C(=O)C2CN(C(=O)C(C)C)C2)Cc2ccc(Cl)cc21	643565973	NYUISRQBYKJYCD-UHFFFAOYSA-N	507.075	2.877	0	40	KFAB	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1	8767203	SSEAWUDNDBCLEU-YVVITCHPSA-N	520.655	2.876	0	40	KFAB	
CC[C@@H](c1nnc(SCC(=O)Nc2cccc(S(N)(=O)=O)c2)n1-c1ccc(OC)cc1)N(C)C	13135814	KUHJPOYFCFFCCP-IBGZPJMESA-N	504.638	2.667	0	40	KFAB	
NC(=O)COc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc1	16742435	WFVWTCPWXIBLDU-QHCPKHFHSA-N	511.962	2.578	0	40	KFAB	
O[C@H](COc1ccc(OC[C@@H](O)CN2CCN(CCOc3ccccc3)CC2)cc1)CN1CCN(CCOc2ccccc2)CC1	22790523	SHGYACKFBORAQV-ACHIHNKUSA-N	634.818	2.559	0	40	KFAB	
COCCCN(C(=O)[C@@H](C)Oc1ccc(Br)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	38152769	YMDIKVBNXXAMFY-MRXNPFEDSA-N	531.407	2.767	0	40	KFAB	
COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1	60028340	KYRBHSNEOHUVRQ-UHFFFAOYSA-N	575.665	2.987	0	40	KFAB	
CCC(C)(C)NC(=O)[C@H](c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(-n2cnnn2)c(OC)c1	100355521	YCPLNIVWOLADSA-SANMLTNESA-N	554.615	2.890	0	40	KFAB	
CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)/C=C/c2ccc(S(=O)(=O)Nc3cccc(S(N)(=O)=O)c3)cc2)c1	102932162	SWOQBPBOBIKERW-GPZRYRNASA-N	571.633	2.921	0	40	KFAB	
COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1C(=O)NC(C)C	215898334	UVWDWWUFXWONEA-UHFFFAOYSA-N	533.632	2.842	0	40	KFAB	
C[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	223115407	TXQJYKVSLVOZOJ-SFHVURJKSA-N	503.621	2.556	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1	224464905	OVRKKSBNNIVONM-UHFFFAOYSA-N	620.577	2.751	0	40	KFAB	
Cc1ccc(S(=O)(=O)NCCNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2cc(C)ccc2C)cc1	225938971	RVSNCMRHYADSSB-UHFFFAOYSA-N	543.711	2.940	0	40	KFAB	
CC(=O)O[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](CC[C@H]6[C@H]5C[C@@H](O)[C@]5(C)[C@H](C7=CC(=O)OC7)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)O[C@@H](C)[C@@H]1O	257440281	HWKJSYYYURVNQU-SDSSFMMYSA-N	822.986	2.789	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	408700504	GZIDBLUPRNSOHD-UHFFFAOYSA-N	537.660	2.533	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1Cl	409019470	ZHCLPGOAHKGTKH-HTCWZNLXSA-N	612.104	2.698	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\[C@@H]3C(=O)N(c4ccccc4)N=C3C)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409039399	WLXLWKIHQPUUAX-GZHRQWERSA-N	632.695	2.739	0	40	KFAB	
Cn1c(O)c(C(c2cc(Cl)c(OCC(=O)O)c(Br)c2)c2c(O)n(C)c(=S)n(C)c2=O)c(=O)n(C)c1=S	409073471	ZDRVEVUEWPHSLH-UHFFFAOYSA-N	619.903	2.691	0	40	KFAB	
COCCNC(=O)[C@@H]1CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N(C)CCCCCCOc2ccccc2C(=O)N1	1615157310	KXWCASVRGLBJOC-CHQNGUEUSA-N	679.859	2.997	0	40	KFAB	
CC(C)(C)NC(=O)CN(C(=O)C[S@@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1ccc(Cl)cc1	6074326	RGOCGMVYQCVWFH-UUWRZZSWSA-N	507.996	2.704	0	40	KFAB	
CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)/C=C/c1ccccc1	32942976	ARKDCMITHCDUHI-JLHYYAGUSA-N	501.605	2.749	0	40	KFAB	
Cc1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1OCC(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1	59852093	WPDICGGNAPUVMO-UHFFFAOYSA-N	535.619	2.880	0	40	KFAB	
Cn1c(CN2CCOCCOCCN(Cc3nc4ccccc4n3C)CCOCCOCC2)nc2ccccc21	97957016	MLNAVQAOPOBSFM-UHFFFAOYSA-N	550.704	2.844	0	40	KFAB	
COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]2[C@H]2C[C@H]3[C@@H]3C(=O)N([C@@H](C(=O)O)C(C)C)C(=O)[C@@H]23)ccc1O	100872326	DNCGAAGWWHHLHQ-FRFWHBTISA-N	530.624	2.733	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O	222700419	ZKKFUPVDTVBQHE-AWEZNQCLSA-N	502.420	2.931	0	40	KFAB	
CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	223136952	LDXJINLDKASDFK-LJQANCHMSA-N	510.012	2.778	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)[C@@H](C)C(=O)NC2CCCC2)cc1	224065658	DGBYLTCDQVLGKD-IBGZPJMESA-N	534.654	2.923	0	40	KFAB	
C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	224075534	OUIAZFONWQPPOE-KRWDZBQOSA-N	510.607	2.910	0	40	KFAB	
O=S1(=O)NC[C@H](O)CN(Cc2cccnc2)C[C@]2(COc3cc(-c4cccc(C(F)(F)F)c4)ccc31)C[C@H](O)[C@H](O)C2	253401798	NMRZLUPZGQVMHA-CDILPITASA-N	607.651	2.803	0	40	KFAB	
COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OCC(N)=O)cc4)c(=O)n32)c(OC)c1	408979497	RDJCNLLDLAEVFM-ZUCAMLDZSA-N	584.654	2.755	0	40	KFAB	
Cn1cc(-c2ccc3c(c2)OCCC2(CCN(C(=O)Nc4cccc(Cl)c4)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2S3(=O)=O)cn1	1548889680	JXQWIJKLZZCMRE-RPWUZVMVSA-N	629.139	2.830	0	40	KFAB	
COc1ccc(C(=O)NCCc2nnc3ccc(SCC(=O)Nc4ccc5c(c4)OCCO5)nn23)cc1	9578610	BDZOBTMVEJUQJP-UHFFFAOYSA-N	520.571	2.607	0	40	KFAB	
COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)OCC(=O)NC[C@H]3CCCO3)ccc2OC)cc1Cl	17527723	LSBHMVUGUAWAEC-OAHLLOKOSA-N	542.994	2.619	0	40	KFAB	
COc1ccc2cc([C@@H](c3nnnn3C3CCCC3)N3CCN(C(=O)c4ccco4)CC3)c(=O)[nH]c2c1	20080196	QLFIAKJAZPGLKV-QHCPKHFHSA-N	503.563	2.779	0	40	KFAB	
Cc1nnc(SCCCn2c(N3CCN(c4cccc(Cl)c4)CC3)nc3c2c(=O)[nH]c(=O)n3C)s1	101462661	UVMPFLITQBIDQC-UHFFFAOYSA-N	533.083	2.746	0	40	KFAB	
CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@H](Cc2ccccc2)C(=O)NCCO)cc1	223233428	JYQDEKUSLKRYFP-MUUNZHRXSA-N	567.708	2.675	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O	224028321	JQWSDOWZZVMKHR-MRXNPFEDSA-N	573.453	2.619	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1	224202668	BSMHJVDABMQFSI-UHFFFAOYSA-N	552.074	2.981	0	40	KFAB	
CS(=O)(=O)N[C@H](CC(=O)N1C[C@H](C(=O)NCc2ccccc2)Oc2ccccc21)c1ccc(F)cc1	225943640	JEJPQPICXBVDLU-ZJSXRUAMSA-N	511.575	2.917	0	40	KFAB	
COCCO[C@H]1[C@@H](O)[C@@H](COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)O[C@@H]1n1ccc(=O)[nH]c1=O	230402818	YVYKKLNOXPCFGC-SPQIZYAFSA-N	604.656	2.852	0	40	KFAB	
COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)N(CCCC(=O)O)C(=O)[C@H]54)[C@H]23)cc1OC	245235944	OYHUVFMUVOPDKA-ZQVSVJCBSA-N	530.624	2.792	0	40	KFAB	
C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)CN([C@H](CCCNC(=N)N)C(=O)O)C3=O	252668890	FVWRHZWMISXFKU-RVLTZQLTSA-N	542.677	2.971	0	40	KFAB	biogenic,in-vitro
Cc1ccc(SCCNC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1	408859663	OSFRMFCBOFVKPA-VWLOTQADSA-N	559.735	2.967	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3/C(=O)N(C)c4ccccc43)c(=O)n2[C@H]1c1cc(Cl)ccc1OC	409120046	UMKXJFGIYYMMLH-MRJHHRETSA-N	523.998	2.807	0	40	KFAB	
CCOC(=O)[C@H](C)Oc1c(OC)cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1OC	409402547	WOKAZIFFKXYPIS-LWLPBDFMSA-N	502.476	2.507	0	40	KFAB	
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[C@H]3[C@]2(C)[C@@H](O)[C@]34O[C@@H](C[C@H](C)[C@H]3[C@@]12C)[C@H](C(C)(C)O)O4	2060993476	HZIBYJCDCHVSPK-NWRYTJCDSA-N	678.860	2.663	0	40	KFAB	
CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@@H]3N(C)C2)O[C@@]2(O)[C@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O	3947496	DEQITUUQPICUMR-UZSOAQTJSA-N	611.743	2.717	0	40	KFAB	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1	8767207	SSEAWUDNDBCLEU-GJISQHIDSA-N	520.655	2.876	0	40	KFAB	
Cc1ccc(NC(=O)CCNC(=O)c2ccc(Br)cc2)cc1S(=O)(=O)N1CCOCC1	24746468	XICPNRRMUJCXOT-UHFFFAOYSA-N	510.410	2.537	0	40	KFAB	
NC(=O)N[C@H](CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)c1cccc(Br)c1	32992630	BPDCMOMMVPRDEH-CBHXRGPZSA-N	521.437	2.694	0	40	KFAB	
COc1cc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@H]2CCCO2)c2cccs2)ccc1-n1cnnn1	33356970	UNNZKLTVZSBKKV-NIYFSFCBSA-N	573.639	2.547	0	40	KFAB	
CC(C)CN(C(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1)[C@H]1CCS(=O)(=O)C1	38140783	SVQKYNHZQNPLHM-QHCPKHFHSA-N	537.679	2.622	0	40	KFAB	
COc1ccc(C[C@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1OC	100472014	HVRLOEOBPZWHKG-NRFANRHFSA-N	557.591	2.739	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O	223492589	VVOQFKQHJKJPHN-LJQANCHMSA-N	505.637	2.803	0	40	KFAB	
Cc1cccc(CN(C(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCC2)c1	223804661	NCCRXKXKGJEUEO-IBGZPJMESA-N	515.632	2.966	0	40	KFAB	
COc1ccc(OC)c(N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)c1	224654586	DOZDVMUHPIZMQX-KRWDZBQOSA-N	509.600	2.551	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1	225042333	ZOJWJVLKJAGTBP-UHFFFAOYSA-N	505.618	2.580	0	40	KFAB	
CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O	225060644	MFUFZVOVFDGCGP-FQEVSTJZSA-N	517.648	2.948	0	40	KFAB	
O=C(COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)NCCCN1CCOCC1	408589476	FUBKIHSEWHDILW-UHFFFAOYSA-N	501.527	2.724	0	40	KFAB	
CCOC(=O)COc1ccccc1/C=c1\sc2n(c1=O)[C@@H](c1cccs1)C(C(=O)OCC)=C(C)N=2	408768978	KROLNERHOGGARD-QUYTYNJFSA-N	512.609	2.802	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)O)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)cc1	408836216	ZVCRTWLPTRXRND-GXPYYPFNSA-N	522.579	2.579	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCCC4)c(OC)c3)c(=O)n2[C@H]1c1ccccc1	409170235	TXGCZUZAOHQFRL-OXIKZWMZSA-N	561.660	2.808	0	40	KFAB	
O=C(C[C@@H]1CCN2C[C@@H]1C=CCOc1ccccc1CN(Cc1ccccn1)CC2=O)N1CCOCC1	958317681	CVHJKAKIGUMHLF-ZEQRLZLVSA-N	504.631	2.746	0	40	KFAB	
C[C@@H](C(=O)OCC(=O)Nc1ccccc1)N1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccccc3)cc2C1=O	6166166	UUMFUJHVEFEZMQ-KRWDZBQOSA-N	529.505	2.649	0	40	KFAB	
C[C@H]1COC[C@@H](C)N1CC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)CN3[C@H](C)COC[C@H]3C)cc2)cc1	6213409	QVGHCTDLXSPMIS-YSFYHYPLSA-N	558.701	2.615	0	40	KFAB	
CCN(Cc1ccccc1)C(=O)Cn1c(=O)n(CC(=O)NCCc2ccccc2)c(=O)c2sccc21	9598835	ZPANFQZNMBWXHJ-UHFFFAOYSA-N	504.612	2.632	0	40	KFAB	
COCCCNC(=O)CSc1nc2cc(OC)c(OC)cc2c2nc(CCn3nc(C)cc3C)nn12	9838707	OVAXTUWLDQBSIP-UHFFFAOYSA-N	513.624	2.596	0	40	KFAB	
CCOc1ccc(S(=O)(=O)NCCC(=O)NCCN2C(=O)S/C(=C\c3ccccc3)C2=O)cc1	12532810	CLFQCAPNGURHDT-SILNSSARSA-N	503.602	2.606	0	40	KFAB	
CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1	13147753	ACEPJJIGMAONSI-UHFFFAOYSA-N	521.661	2.913	0	40	KFAB	
CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(OC(F)F)cc3)C2=O)cc1	14094703	LLTBFWFGRPVKQP-QHCPKHFHSA-N	524.546	2.724	0	40	KFAB	
C[C@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1=O	103140141	PCZKVDDXMNUDPA-AREMUKBSSA-N	541.029	2.793	0	40	KFAB	
COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)cc1	105318767	PRSIMIXKXIXWAO-UHFFFAOYSA-N	541.493	2.975	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1Br)S(C)(=O)=O	222956595	JWOILXWUFBIFDM-OAHLLOKOSA-N	514.417	2.908	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCc1ccccc1CN1CCOCC1	223343207	BYHKAHHGBQCDDI-UHFFFAOYSA-N	501.649	2.561	0	40	KFAB	
CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O	223487647	DEZTWZUHGUGYLM-NRFANRHFSA-N	503.621	2.557	0	40	KFAB	
CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	223970967	HYNATNNMBOKJCN-JOCHJYFZSA-N	533.647	2.914	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCC2)cc1	224056723	MKBMECDDPMVTHI-IBGZPJMESA-N	517.648	2.946	0	40	KFAB	
CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O	224065158	DWPQCRWJUSYBIF-KRWDZBQOSA-N	510.454	2.811	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1	224319849	CXSLNIIXAGHOIV-UHFFFAOYSA-N	570.133	2.862	0	40	KFAB	
CC1CCN(S(=O)(=O)c2cccc(C(=O)NCCOc3ccc(S(=O)(=O)N4CCCC4)cc3)c2)CC1	224330833	URICLZRLDHJTAA-UHFFFAOYSA-N	535.688	2.701	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C)c1	260875483	GEUURWNDVYUUNM-LJQANCHMSA-N	535.663	2.668	0	40	KFAB	
CCOc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	408589664	FIQGGMHPUQRPJH-FRKPEAEDSA-N	536.310	2.982	0	40	KFAB	
COC(=O)COc1c(Cl)cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1Br	409133956	OASRBPJCKXNTHV-RIYZIHGNSA-N	533.784	2.549	0	40	KFAB	
COc1cc2nc(CSCCN3C(=O)[C@H](C(N)=O)[C@H]4C[C@@]3(C)Oc3ccccc34)nc(O)c2cc1OC	524731656	GGCFJSXNNLTTQL-AWCXEYNZSA-N	524.599	2.812	0	40	KFAB	biogenic
O=S1(=O)C[C@@H](O)[C@@H](Nc2ccc(NS(=O)(=O)c3cc(Br)ccc3Br)cc2)C1	575424589	UESQSZFSYWKLDR-LSDHHAIUSA-N	540.255	2.582	0	40	KFAB	
COc1cccc(CCCNC(=O)[C@@H]2CCC(=O)N3CCC[C@@H]3C(=O)N(C)CC(=O)N[C@@H](CC(C)C)COc3ccccc3C(=O)N2)c1	643571871	ORLPYNGVJMVSPF-BHBSRLOASA-N	663.816	2.696	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)cc2)cc1	1104524	MPRAVKYMAYKMSY-UHFFFAOYSA-N	530.628	2.692	0	40	KFAB	
CCOC(=O)C1=C(C)C2[C@@H]3C(=O)N(c4ccc(C(=O)O)cc4)C(=O)[C@H]3C1(C)[C@H]1C(=O)N(c3ccc(C(=O)O)cc3)C(=O)[C@H]21	6544874	JMXRYIGHKWRUFH-FGPXIFGBSA-N	586.553	2.524	0	40	KFAB	
CCOc1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(CC(=O)OCc3ccccc3)c(=O)n2C)cc1	9158161	WYODKQCAPFNVJK-SFHVURJKSA-N	503.559	2.827	0	40	KFAB	
COC(=O)[C@@H]1Cc2ncn(Cc3ccc(Cl)cc3)c2CN1S(=O)(=O)c1ccc(NC(C)=O)cc1	12530291	BKDORGJLVWSUOL-NRFANRHFSA-N	502.980	2.832	0	40	KFAB	biogenic,in-vitro
CCOc1ccc(C(c2c(O)nc3n(c2=O)CCCS3)c2c(O)nc3n(c2=O)CCCS3)cc1	13773618	PGMPTZWXMXCPBJ-UHFFFAOYSA-N	500.602	2.782	0	40	KFAB	
O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(c2cccc(Cl)c2)CC1)Nc1cccc2ccccc12	19961702	XXSMAELUGHWKMV-RUZDIDTESA-N	520.033	2.971	0	40	KFAB	
COc1ccc(S(=O)(=O)NC(C)C)cc1NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCCC2)c1	30866820	IJCUXXPPGKETTC-UHFFFAOYSA-N	525.649	2.817	0	40	KFAB	
COc1cc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCc4ccccc4C3)c(=O)[nH]c2cc1OC	33936793	IEJRIOUCNQWMME-NLFFAJNJSA-N	502.575	2.859	0	40	KFAB	
CCOc1ccc2c(c1)s/c(=N\C(=O)c1ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc1)n2CC(=O)OC	100877140	DYSGUCQDFUQVNN-AUDDJOTCSA-N	547.655	2.814	0	40	KFAB	
COc1ccc(CCN2C(=O)NC(=O)[C@]3(Cc4c(nc5c(C)cccn5c4=O)N4CCc5ccccc5[C@@H]43)C2=O)cc1OC	101670744	ZUOAONDVUWSROA-UTONBFNKSA-N	593.640	2.988	0	40	KFAB	
COc1ccc(OC)c(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccc(C)c5)sc4n3)CC2)c1	102349979	CFPFEZAIVJELSQ-UHFFFAOYSA-N	541.655	2.650	0	40	KFAB	
COC(=O)Cn1c(=O)c(C(=O)COC(=O)c2ccccc2CCc2ccccc2)c(N)n(Cc2ccccc2)c1=O	103132020	FOPWLBWHOSHYBG-UHFFFAOYSA-N	555.587	2.638	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc(Cl)cc3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	103692694	JWTWVAVUQMMSIC-OBBCHVIHSA-N	592.981	2.933	0	40	KFAB	
CCCC1=C(C(=O)OCC)[C@H](c2cccc(OC)c2)n2c(s/c(=C\c3ccc(N4CCN(C)CC4)o3)c2=O)=N1	103708797	VOSGGONBXPHLKF-JNWJWRTLSA-N	550.681	2.932	0	40	KFAB	
COc1ccc([C@@H](CC(=O)N2C[C@@H](C(=O)NCCc3ccccc3)Oc3ccccc32)NS(C)(=O)=O)cc1	225953581	LVJCGBWJYHNGAC-BVAGGSTKSA-N	537.638	2.829	0	40	KFAB	
CCOC(=O)COc1ccccc1/C=c1\sc2n(c1=O)[C@H](c1cccs1)C(C(=O)OCC)=C(C)N=2	408768977	KROLNERHOGGARD-DUBROFONSA-N	512.609	2.802	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	408981037	HKSZMQUVSPIQPU-VZFFITARSA-N	582.631	2.678	0	40	KFAB	
O=C(NCCSC1CCCCC1)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	409023432	XCOWLLVAGCVXTM-DEOSSOPVSA-N	551.756	2.933	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(O)cc3O)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409035251	RRLHZTIIJQFKGT-WNSYTLDPSA-N	647.500	2.923	0	40	KFAB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(I)c(OCC(=O)O)c(I)c3)C2=O)o1	409402576	WYLIEPHGCSWXJH-MLPAPPSSSA-N	652.135	2.832	0	40	KFAB	
CC(C)c1ccc2c(c1)OCCC1(CCN(C(=O)Nc3ccccc3)CC1)NC(=O)[C@@H]1C[C@@H](O)CN1S2(=O)=O	1548890978	VFRFFKSJISQSLL-PKTZIBPZSA-N	556.685	2.899	0	40	KFAB	
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@H]2NC(=O)[C@H](Cc3ccccc3)NC(=O)C3(CC=CC[C@H]2C1)CCOCC3	2037829075	ZARIYBKMVOBWHH-JVVMDBNWSA-N	600.760	2.941	0	40	KFAB	
CC(=O)OCC(=O)[C@H]1CC[C@]2(O)[C@@H]3CC[C@]4(OC(C)=O)C[C@@H](OC(C)=O)CC[C@]4(C(=O)O)[C@@H]3CC[C@]12C	8951958	GADAHPHEPRHMOO-VVLBMDPMSA-N	522.591	2.575	0	40	KFAB	biogenic
Cc1ccc(NC(=O)Cn2c(=O)n(Cc3nc(-c4ccccc4)no3)c(=O)c3cc4c(cc32)OCO4)cc1	9274729	WJJJZEROVJSJFB-UHFFFAOYSA-N	511.494	2.937	0	40	KFAB	
COc1ccccc1N1CCN([C@@H](c2cc3cc4c(cc3[nH]c2=O)OCO4)c2nnnn2C(C)(C)C)CC1	20084285	FAGQMIVLSLKXNR-DEOSSOPVSA-N	517.590	2.919	0	40	KFAB	
CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	38151100	VAMIKZLCDGOADC-UHFFFAOYSA-N	541.548	2.974	0	40	KFAB	
COc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCC(=O)Nc4nc5ccccc5s4)nn23)cc1	97990178	LQBQOZGWEWPIRJ-UHFFFAOYSA-N	555.667	2.994	0	40	KFAB	
COc1cccc([C@H](C(=O)NC[C@H]2CCCO2)N(Cc2ccc3c(c2)OCO3)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1	100341451	KYHRLSZYMCSAIY-RNWIMVQKSA-N	621.668	2.634	0	40	KFAB	
COc1cc2c(=O)n(Cc3ccc(C(=O)NC(C)C)cc3)c(=O)n(CC(=O)N3CCCC[C@H]3C)c2cc1OC	101916240	IFEFPEWDNGDVQG-LJQANCHMSA-N	536.629	2.768	0	40	KFAB	
O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc(Cl)cc1	102101775	QZHNPMOVICOKIV-OAQYLSRUSA-N	537.970	2.837	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nnc2c(Cl)cc(Cl)cn12	103066818	GOPRZMJVKNTNDY-UHFFFAOYSA-N	532.431	2.796	0	40	KFAB	
CN1CCN(C(=O)C(Sc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)C(=O)N2CCN(C)CC2)CC1	104872175	FASKNTWWTRFBTL-UHFFFAOYSA-N	539.105	2.959	0	40	KFAB	
C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	222885680	NITMORZKEIAAKL-INIZCTEOSA-N	507.584	2.652	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1Br)S(C)(=O)=O	222956641	JWOILXWUFBIFDM-HNNXBMFYSA-N	514.417	2.908	0	40	KFAB	
CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223412466	JPRHSZRBKMABCF-QFIPXVFZSA-N	533.647	2.566	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2ccccc2OC)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCC2)cc1	224060676	OFFRRHYLDZUASK-IBGZPJMESA-N	517.648	2.946	0	40	KFAB	
COc1ccc(S(=O)(=O)NC(C)C)cc1NS(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1	224135090	VSQNTMZFSMFSPB-UHFFFAOYSA-N	546.052	2.940	0	40	KFAB	
CNc1nc(-c2ccc(OC)c(NC(=O)COc3ccc(S(=O)(=O)NCCOC)cc3)c2)cs1	226088037	CBJUUMSVGGKKTD-UHFFFAOYSA-N	506.606	2.803	0	40	KFAB	
C[C@@]1(O)CC2(CCN(C(=O)CCc3nc4ccc(Cl)cc4[nH]3)CC2)OC[C@H]1n1cnc2c(N)ncnc21	257341545	ZKUWDKQIUXAEIO-HOYKHHGWSA-N	525.013	2.645	0	40	KFAB	
Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(N2C[C@@H](C(=O)NCCN3CCOCC3)CC2=O)cc1	408577040	ICPUAOYFKXLVRZ-FQEVSTJZSA-N	573.488	2.885	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OC)c(OCCCn3ccnc3)c2)C[C@](O)(COc2cc(F)cc(F)c2)C1	585274978	SMRAROGONWFXEH-GDLZYMKVSA-N	574.625	2.740	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OCCCN3CCCCC3=O)cc2)C[C@](O)(COc2ccc(C)cc2)C1	585279734	GFPQZIUFUSIZNL-WJOKGBTCSA-N	553.700	2.877	0	40	KFAB	
CCCCCC(=O)N1CC(=O)N2CC[C@@H](CC(=O)N3CCN(C=O)CC3)[C@@H](C=CCOc3ccccc3C1)C2	958317862	UNNVXPIKNNFJLJ-DQEYMECFSA-N	538.689	2.700	0	40	KFAB	
O=C1C[C@@H](C(=O)N2CCCCC2)NC(=O)c2ccccc2OCCCCCCNC(=O)[C@H](Cc2ccc(O)cc2)N1	1615161924	YFWGWSOGLMIVGF-UIOOFZCWSA-N	564.683	2.690	0	40	KFAB	
COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2)cc1	7059068	NIYTVQLOSKGHQT-NQIIRXRSSA-N	509.588	2.516	0	40	KFAB	
CN(C(=O)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCC3)[C@@H]1CCS(=O)(=O)C1	9003938	IKNNFNMJWOMIKS-QGZVFWFLSA-N	517.698	2.927	0	40	KFAB	
CN(C)S(=O)(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)CC1	10366420	OCBZTSUVLIEIMH-UHFFFAOYSA-N	501.030	2.598	0	40	KFAB	
COc1cc(/C=C\C(=O)NCCn2ncc3c(=O)n(Cc4cccc(C)c4)cnc32)cc(OC)c1OC	12072292	FNPHHLRHRJWJSM-HJWRWDBZSA-N	503.559	2.805	0	40	KFAB	
CCCCCN(C(=O)CCC(=O)O[C@H](C)C(=O)NC1CCCCC1)c1c(N)n(CCCC)c(=O)[nH]c1=O	12553300	CKXOWKIDBQFAKW-GOSISDBHSA-N	521.659	2.603	0	40	KFAB	
CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N(CCOC)CC(=O)Nc2ccccc2)cc1	13496953	NFCWZJTUJLVMPH-OAQYLSRUSA-N	523.677	2.916	0	40	KFAB	
COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4ccc(F)cc4)CC3)cc2c1	19940665	RCKRIXSZSBPKIU-RDGATRHJSA-N	519.581	2.753	0	40	KFAB	
O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(c2cccc(Cl)c2)CC1)Nc1cccc2ccccc12	19961696	XXSMAELUGHWKMV-VWLOTQADSA-N	520.033	2.971	0	40	KFAB	
CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2c1	22866304	DPPYJXCKBLBXPH-LXFBAYGMSA-N	573.654	2.728	0	40	KFAB	
COc1ccc(CCN[C@H]2CC(=O)N(c3ccc(N4C(=O)C[C@H](NCCc5ccc(OC)c(OC)c5)C4=O)cc3)C2=O)cc1OC	98044505	MRAUUQSGJNBZQT-UIOOFZCWSA-N	630.698	2.649	0	40	KFAB	
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](C(N)=O)[C@H](C)O	102056822	MXAKCRVLKDKVLY-JSKMBAMBSA-N	584.714	2.583	0	40	KFAB	
Cc1cccc(CS(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)CC2)c1	215965152	NDIUFPKJQPWXMH-UHFFFAOYSA-N	529.644	2.766	0	40	KFAB	
CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)Oc2ccc(Cl)cc21	216332182	KFEHNXFJZBQBKN-QGZVFWFLSA-N	529.021	2.763	0	40	KFAB	
COCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1	222720222	YIIGPLJHZHBSAV-OAQYLSRUSA-N	501.649	2.584	0	40	KFAB	
C[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	223124248	GSRPBOILMUALML-IBGZPJMESA-N	506.644	2.813	0	40	KFAB	
COc1ccc(Cl)cc1N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccccc1	224436795	FSJKYUSUTBIEGF-UHFFFAOYSA-N	624.137	2.760	0	40	KFAB	
CC(C)(C)OC(=O)N[C@@H](CCC(=O)N[C@H]1C[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@@H](O)[C@H]1O)C(=O)OC(C)(C)C	257271593	MYYPZJKXKQXREO-NEWSNEBISA-N	625.727	2.605	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1cccc(OC)c1)[C@H](C)C(=O)NC(C)C)c1ccc2c(c1)OCCO2	260768024	VUZYJVIJMDARGL-LJQANCHMSA-N	533.647	2.564	0	40	KFAB	
CC(=O)N[C@@H]1[C@H](Sc2nc3ccccc3n2CCOc2ccccc2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	504693292	JTNYANXZRVQOMD-VFHRMQJUSA-N	599.662	2.864	0	40	KFAB	biogenic
COCc1nc([C@H]2CCCN(C(=O)CN3CCC4(CCCCc5ccccc5OCCNC4=O)CC3)C2)no1	643558412	KWBLOFWUGKIKII-QHCPKHFHSA-N	539.677	2.926	0	40	KFAB	
Cc1nn(C)c(C)c1NC(=O)CN1CC[C@H]2NC(=O)[C@@H](Cc3ccccc3)NC(=O)C3(CC=CC[C@H]2C1)CCOCC3	2037879462	XTWTXXGLGRIAOO-OYUWMTPXSA-N	576.742	2.656	0	40	KFAB	
COc1ccc(OC)c(S(=O)(=O)N[C@H]2CO[C@@H]3[C@H](OC(=O)Nc4cccc5ccccc45)CO[C@H]23)c1	4235433	RRDFMTAWCJZUNR-IVGWJTKZSA-N	514.556	2.919	0	40	KFAB	biogenic,in-vitro
CCOc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(Cc2cccs2)C(=O)c2snc(C(N)=O)c2N)cc1	6601682	PQHOVSWCDAXAFM-LAUBAEHRSA-N	543.671	2.963	0	40	KFAB	
COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1N1CCCC1=O	30873700	LQTXIOPSNUCSEX-UHFFFAOYSA-N	508.603	2.880	0	40	KFAB	
CC[C@H](C)NC(=O)Cn1c(=O)n(Cc2ccc(C(=O)N3CCCCC3)cc2)c(=O)c2cc(OC)c(OC)cc21	102523364	SWNJMWMXEFZRFI-IBGZPJMESA-N	536.629	2.770	0	40	KFAB	
O=C(OCCN(CCOC(=O)c1cccnc1)CCN(CCOC(=O)c1cccnc1)CCOC(=O)c1cccnc1)c1cccnc1	150469803	DSQABTCDYIBPEQ-UHFFFAOYSA-N	656.696	2.598	0	40	KFAB	
COc1ccccc1CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222703517	PNAZHANMSUHTCI-HSZRJFAPSA-N	581.691	2.829	0	40	KFAB	
Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCOc3ccc(S(=O)(=O)N(C)C)cc3)c2)cc1	224225970	QTMYVGMMTHVSEL-UHFFFAOYSA-N	517.629	2.855	0	40	KFAB	
CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O	224541462	WIDFTHZTEFHGDZ-JOCHJYFZSA-N	533.647	2.914	0	40	KFAB	
O=C(NCc1ccc(CN2CCOCC2)cc1)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1	224566202	QCHHYHRPBDREJY-HHHXNRCGSA-N	521.639	2.933	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C	225512359	RXDSEGRKFDQWSR-VWLOTQADSA-N	508.644	2.686	0	40	KFAB	
COc1ccc(CN(C(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)[C@H](C)C(=O)NC(C)C)cc1	225678714	DKDRSVMUUQSYAO-GOSISDBHSA-N	501.605	2.562	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3F)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409033430	FICXRMQFPYAYQB-GLSAMTQTSA-N	554.596	2.888	0	40	KFAB	
CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CO[C@@H]3[C@H](OC(=O)Nc4cccc5ccccc45)CO[C@H]23)cc1	4235431	LPSQFVGPCKZPAI-OLKYXYMISA-N	511.556	2.860	0	40	KFAB	biogenic,in-vitro
CCOC(=O)CNC(=O)[C@@H](c1c[nH]c2ccccc12)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)cc1	6546583	RIYFIWYYYBLUQY-JOCHJYFZSA-N	534.598	2.681	0	40	KFAB	
COc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4ccccc4F)CC3)c(=O)[nH]c2c1	19940434	ZHCNZJYLWMFXSE-NBGIEHNGSA-N	519.581	2.753	0	40	KFAB	
CCOC(=O)C1=C(COC(=O)Cc2csc(NC(=O)c3ccco3)n2)NC(=O)N[C@H]1c1ccc(C)o1	24970032	IMGMAKLUHMLZCH-IBGZPJMESA-N	514.516	2.847	0	40	KFAB	
COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Br)c(OCC(N)=O)c(OC)c1	36612630	ZKTOOQWVAWFBSU-IBGZPJMESA-N	519.352	2.597	0	40	KFAB	
O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C12C[C@@H]3C[C@@H](C1)CC(n1cnc(Cl)n1)(C3)C2	102834221	RUDDIZJMSKPGHV-PQJGELLGSA-N	506.028	2.887	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(I)o3)c(=O)n2[C@@H]1c1ccccc1	103447059	SRAVRZMAYKZUGW-HAZIXKIPSA-N	520.348	2.996	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(=O)c(-c4nc(C)cs4)coc3c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	170621390	LODGFUDXZVUDFR-MXEJUDAGSA-N	589.575	2.687	0	40	KFAB	
CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3OC)C2)c1	222599028	DXXGZYYWSLORPC-HNNXBMFYSA-N	516.041	2.605	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O	222968222	JMNHGKOTOCHZHG-KRWDZBQOSA-N	507.584	2.654	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)cc1	224227431	ADWFUPXWFAWLNI-UHFFFAOYSA-N	530.068	2.574	0	40	KFAB	
C[C@@H]1[C@H]2C3=CC[C@H]4[C@@]5(C)CC[C@@H](O[C@H]6O[C@H](C)[C@H](O)[C@@H](O[C@H]7O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]7O)[C@@H]6O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C(=O)O)CC[C@@]2(C(=O)O)CC[C@H]1C	253500592	BZXXSUZFEIFGEX-CQHBFNTCSA-N	794.976	2.830	0	40	KFAB	biogenic,in-vitro
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	260898604	DNBFXGSXISQPSH-PMACEKPBSA-N	517.648	2.864	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OCCCn3cccn3)c(OC)c2)C[C@@](O)(COc2ccc(C)cc2)C1	585278747	AAKARTDHUGOMRD-PMERELPUSA-N	552.672	2.770	0	40	KFAB	
CCOc1ccc(CCCNC(=O)[C@@H]2CC(=O)N[C@H](CC(C)C)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1OC	643565537	IXYFADMQTKEUCJ-LOSJGSFVSA-N	596.725	2.713	0	40	KFAB	
Cc1csc(CCCNC(=O)[C@@H]2CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N3CCC[C@@H]3COc3ccccc3C(=O)N2)n1	643565961	NTSUYRHEQAPDAA-RZFJZAQRSA-N	619.744	2.506	0	40	KFAB	
NS(=O)(=O)c1ccc(CCNC(=O)C2CCC(Cn3c(=S)[nH]c4ccccc4c3=O)CC2)cc1	2975790	KDLSFPBOHDGNRA-UHFFFAOYSA-N	500.646	2.872	0	40	KFAB	
CCc1sc2nc(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)n(Cc3ccc(C)cc3)c(=O)c2c1C	3398825	WEDNUXHCKZJBOK-UHFFFAOYSA-N	525.656	2.640	0	40	KFAB	
COc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1	4529172	AICWGTOGGNNUJN-AWEZNQCLSA-N	510.528	2.850	0	40	KFAB	
CCOC(=O)CNc1cnn([C@@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)c(=O)n1	8398296	OXYJAFBKBDZTEF-GDZXGLFHSA-N	642.621	2.819	0	40	KFAB	
O=C(CSC1=Nc2ccccc2C2=N[C@@H](CCC(=O)NC3CCCCC3)C(=O)N12)NC[C@H]1CCCO1	9471944	MUIXFUPUYZUAIO-NQIIRXRSSA-N	511.648	2.903	0	40	KFAB	
CCOc1cc(C(c2c(O)cc(C)n(CCOC)c2=O)c2c(O)cc(C)n(CCOC)c2=O)ccc1O	13839821	ADPXTIJWEDHQDP-UHFFFAOYSA-N	514.575	2.615	0	40	KFAB	
CCN(C(=O)COC(=O)CSc1ccc(Cl)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	32666520	LNAIOWYGBOTAQH-UHFFFAOYSA-N	502.980	2.509	0	40	KFAB	
CC(C)CCOc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)C2=O)cc1	32814477	IQCUSKLPGOGLLT-VWLOTQADSA-N	516.620	2.768	0	40	KFAB	
O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1	59838377	AZDVGXRBHPNBBF-RUZDIDTESA-N	545.658	2.816	0	40	KFAB	
COC(=O)c1cc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4cccc(Cl)c4)[nH]c(=O)c32)cc(C(=O)OC)c1	102356140	RONATNGGMYZKQI-MRXNPFEDSA-N	525.905	2.805	0	40	KFAB	
COC(=O)Cn1c(=O)c(C(=O)COC(=O)c2c(Cl)ccc(Cl)c2Cl)c(N)n(Cc2ccccc2)c1=O	103140918	WETBWHJRJSPFKC-UHFFFAOYSA-N	554.770	2.813	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	222529963	GVVZEQBFHPDVNW-PGRDOPGGSA-N	533.647	2.912	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	222711082	GRSAEBMVSKPLPP-ZDUSSCGKSA-N	516.403	2.651	0	40	KFAB	
COc1ccc(CNC(=O)[C@H](c2ccccc2)N(Cc2ccc(OC)cc2)C(=O)CN(C)S(C)(=O)=O)cc1	223538196	PVUWGRDEBUXJMQ-MHZLTWQESA-N	539.654	2.982	0	40	KFAB	
COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCCOc3ccc(S(=O)(=O)N4CCCC4)cc3)Oc3ccccc32)cc1	224325399	DNUIKHFXTUYAGH-MHZLTWQESA-N	601.703	2.631	0	40	KFAB	
CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C	224999343	WWRUHLZVDTVCNS-NRFANRHFSA-N	518.680	2.868	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)O)c(OC)c3)c(=O)n2[C@@H]1c1cccc(OC)c1OCC	408909107	GKXIKNVCAYOVNV-BLJGQIRFSA-N	582.631	2.678	0	40	KFAB	
CCOc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)ccc1O	408931987	ANNPOXCPNKIGTF-HYIDZWCSSA-N	524.595	2.920	0	40	KFAB	
CCOc1c(OC)cccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3cc(OC)ccc3OC)c(=O)n21	409014639	NNQOWNDKOYFRDY-OWXSRONMSA-N	568.648	2.849	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCCC4)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	409162269	ZGGHVUZCIOFWMR-RBXKPUFLSA-N	591.686	2.817	0	40	KFAB	
Cc1cc(Nc2ncc(C)s2)nc(C2CCN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)CC2)n1	585263605	TWKYOQHDIGMWSR-INIZCTEOSA-N	503.629	2.768	0	40	KFAB	
Cc1nccc([C@@H]2CN(C(=O)CN3CCC4(CCCCc5ccccc5OCCNC4=O)CC3)CCO2)n1	643558106	CDSVAKUUOLOCRD-SANMLTNESA-N	521.662	2.689	0	40	KFAB	
Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1C	883753	XIDIKSBJKFNBNA-UHFFFAOYSA-N	501.634	2.851	0	40	KFAB	
O=S(=O)(N[C@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4ccc5c(c4)OCO5)n3)CO[C@H]12)c1ccc2ccccc2c1	5413761	GWIAZACLGPUCRE-CNXCYTMISA-N	532.578	2.951	0	40	KFAB	biogenic,in-vitro
CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)O	9235301	IAMLXBWCDNXKHZ-UFWORHAWSA-N	500.485	2.952	0	40	KFAB	
CCC(C)(C)NC(=O)[C@@H](c1ccc(F)cc1)N(CCN1CCOCC1)C(=O)Cn1nnc2ccccc21	19499496	YKHZJPMNXZQEPM-RUZDIDTESA-N	510.614	2.777	0	40	KFAB	
CCOc1ccccc1N1C[C@H](C(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)CC1=O	24773061	XJKHDSHWWUWURW-HXUWFJFHSA-N	519.602	2.608	0	40	KFAB	
O=C(Nc1snnc1C(=O)N1CCN(Cc2ccccc2)CC1)N1CCN(Cc2ccccc2)CC1	33436174	AOLNZWSDGKAAGB-UHFFFAOYSA-N	505.648	2.846	0	40	KFAB	
CCCN1CCN(C(=O)c2cn(CCC)nc2S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)CC1	67337380	MFPNHYBVCZHQQQ-UHFFFAOYSA-N	523.103	2.625	0	40	KFAB	
CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)/C=C\c1ccccc1	97657602	ARKDCMITHCDUHI-RAXLEYEMSA-N	501.605	2.749	0	40	KFAB	
COc1cc(CCNS(C)(=O)=O)c(S(=O)(=O)N2CCN(c3nc(-c4ccc(C)cc4)cs3)CC2)cc1OC	100234112	JPMYKSRRXSHWKT-UHFFFAOYSA-N	580.754	2.738	0	40	KFAB	
O=C(O)CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]2C1=O)[C@@H]1[C@@H](c2ccc(Br)cc2)c2sc(=O)[nH]c2S[C@@H]31	100864131	BKXAIHBEWJHDDZ-GSEIQGMRSA-N	521.414	2.757	0	40	KFAB	
CCOC(=O)CCOCC(COCCC(=O)OCC)(COCCC(=O)OCC)NC(=O)OCc1ccccc1	148688069	PUGQUJMKWXZXSP-UHFFFAOYSA-N	555.621	2.561	0	40	KFAB	
CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223455545	UPDRHHUVWGCXRS-QFIPXVFZSA-N	533.647	2.566	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O	225411307	WSHIGAJKPCAQHW-RBUKOAKNSA-N	515.632	2.952	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NC(C)C)c1ccc2c(c1)OCO2	225587549	SQVZVQPFXXCWJO-KRWDZBQOSA-N	507.584	2.652	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)[C@H](C)C(=O)NC(C)(C)C)c1	260797248	PBLVOPCCWTUENR-GOSISDBHSA-N	505.637	2.802	0	40	KFAB	
CCOC(=O)N1CCN(C(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2cc(C)ccc2OC)CC1	408587617	BRCLNWYHTSGODF-UHFFFAOYSA-N	505.593	2.508	0	40	KFAB	
O=C(CN1C(=O)S/C(=C/c2ccc(OCC(=O)N3CCOCC3)cc2)C1=O)Nc1ccc(F)cc1F	409275180	ZJMRRODHAWLVOE-RGVLZGJSSA-N	517.510	2.877	0	40	KFAB	
COC(=O)c1cccc(NC(=O)[C@H](OC(=O)c2cccc(OC)c2)[C@H](OC(=O)c2cccc(OC)c2)C(=O)O)c1	409376497	BDYYWWNXIRFQDA-PKTZIBPZSA-N	551.504	2.965	0	40	KFAB	
O=C1NC2(CCOc3cc(C4CCOCC4)ccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(Cc1cccs1)CC2	1548891121	XNGOMJFAEMBPOI-VWNXMTODSA-N	575.753	2.700	0	40	KFAB	
O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)Nc1nnc(C(F)(F)F)s1	1802380	LVMONAPMIZMUDX-UHFFFAOYSA-N	556.386	2.571	0	40	KFAB	
O=C(COc1ccc(N2C[C@@H](C(=O)NCc3ccc4c(c3)OCO4)CC2=O)cc1)NCc1ccccc1	2648293	LGXCUULLCRFWCN-NRFANRHFSA-N	501.539	2.780	0	40	KFAB	
CC(=O)Nc1ccc(NC(=O)CSc2nc(-c3cccc(F)c3)nc3c2c(=O)n(C)c(=O)n3C)cc1	8902457	QKYWSUZVFDSSDO-UHFFFAOYSA-N	508.535	2.523	0	40	KFAB	
O=C(CSc1nc2ccccc2c(=O)n1NC(=O)CCc1c[nH]c2ccccc12)NC[C@@H]1CCCO1	20643816	OTTDQKRTNLETPO-SFHVURJKSA-N	505.600	2.968	0	40	KFAB	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCCC1)[C@H]1COc2ccccc2O1	40476200	DEDJOYLSHNIWLV-XMMPIXPASA-N	501.605	2.866	0	40	KFAB	
COc1ccc(CCN[C@H]2CC(=O)N(c3ccc(N4C(=O)C[C@@H](NCCc5ccc(OC)c(OC)c5)C4=O)cc3)C2=O)cc1OC	103128874	MRAUUQSGJNBZQT-WMPKNSHKSA-N	630.698	2.649	0	40	KFAB	
COc1ccc(-c2coc3cc(O[C@@H]4O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]4OC(C)=O)ccc3c2=O)cc1	170621356	FTCLAIAXKAGMBI-HRLYRCPASA-N	598.557	2.931	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NC(C)(C)C)c1ccc2c(c1)OCO2	222660307	WBILNPVMMXVKLV-SFHVURJKSA-N	503.621	2.903	0	40	KFAB	
COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)[C@@H](C)C(=O)NC[C@H]2CCCO2)cc1	222965534	FYFHABXGACECMG-NBGIEHNGSA-N	543.686	2.781	0	40	KFAB	
Cc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)cc1Cl	224367693	RFAPQMUZXHEYDM-UHFFFAOYSA-N	544.095	2.784	0	40	KFAB	
CCc1ccccc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@@H](C)C(=O)NC)S(C)(=O)=O	225479226	DFEKIDSRMPIYES-INIZCTEOSA-N	510.454	2.941	0	40	KFAB	
C/C=C(\C)C[C@H](/C=C(\C)[C@H](O)[C@H](C)/C=C(\C)[C@H](O)[C@H](C)/C=C/[C@H](O)C/C=C/[C@@H](O)[C@@H](O)C(=O)O)C(=O)O	248297892	YKAQENKKQWMYFZ-HMELLCLISA-N	524.651	2.600	0	40	KFAB	biogenic,in-vitro
C[C@@H]1C2=CC(=O)O[C@]2(O)C[C@@H]2[C@@H]1[C@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)[C@@]1(O)[C@@](C)(C(=O)O)[C@@H](O)CC[C@]21C	253388449	WHOBGBIOIFGGMR-PDCSYCGTSA-N	620.651	2.878	0	40	KFAB	biogenic,in-vitro
CCOC(=O)C1=C(C)N=c2s/c(=C3/C(=O)N(CC)c4ccccc43)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	409140169	FLDKSHNJRTXKEB-NXLSWJSLSA-N	547.633	2.942	0	40	KFAB	
Cc1ccc(CC(=O)N2CCCCC3(CCN(Cc4ccncc4)CC3)C(=O)OC[C@@H](O)[C@@H](O)CC2)cc1	643579268	ZNDJHBKPSXMEBT-RRPNLBNLSA-N	523.674	2.883	0	40	KFAB	
O=C1N[C@H]2CCN(C(=O)CCCn3cccn3)C[C@H]2CC=CCC2(CCOCC2)C(=O)N[C@@H]1Cc1ccccc1	2037885031	RBPMLXYKCUJGGX-KWXIBIRDSA-N	547.700	2.871	0	40	KFAB	
COc1cc(-n2c(O)c([C@H]3c4c(cc5c(c4OC)OCO5)CCN3C)c(=O)n(C)c2=S)cc(OC)c1OC	2151401	FIVGPUXVPCMHDA-HXUWFJFHSA-N	543.598	2.951	0	40	KFAB	biogenic
N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O	5273546	NJNPEPZWJBIJCK-YDPTYEFTSA-N	606.723	2.824	0	40	KFAB	
CCOC(=O)C12C(C)=CC(C)([C@H]3C(=O)N(c4ccc(OC(C)=O)cc4)C(=O)[C@@H]31)[C@@H]1C(=O)N(c3ccc(OC(C)=O)cc3)C(=O)[C@@H]12	8397147	BVJDYHYRDSMKSB-CDFBBVIHSA-N	614.607	2.978	0	40	KFAB	
CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OCC(=O)Nc2ccccc2OC)C(C)C)c1	12529624	AFBBTSNNQXOILU-QHCPKHFHSA-N	519.620	2.662	0	40	KFAB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1OC	16187654	TVXNTXYMSLCLIW-UHFFFAOYSA-N	501.527	2.692	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)C2)cc1C	59838587	MLYFFPJPWJFQNX-OAQYLSRUSA-N	535.688	2.505	0	40	KFAB	
CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(CCOC)CCOC)cc3)c2C(=O)OC)C1	97963532	AREJAVCXLFNSEV-UHFFFAOYSA-N	583.685	2.585	0	40	KFAB	
CCOC(=O)C1=C(COC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)NC(=O)N[C@H]1c1cccs1	101476169	NCNSJIBNQWBDFP-NRFANRHFSA-N	533.628	2.563	0	40	KFAB	
CCOC(=O)c1ccc(NC(=O)[C@H](CCSC)NC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1	135635575	MKRHQGOTJVOMNR-DSKINZAPSA-N	512.632	2.914	0	40	KFAB	
COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CN(c1ccccc1Br)S(C)(=O)=O	215909009	PPLSTLYBWJADJF-UHFFFAOYSA-N	534.454	2.549	0	40	KFAB	
CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3[C@@H]3C=CC=NN32)cc1	253487153	FZSSCWNLRCNLKE-BURNTYAHSA-N	508.328	2.971	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	260931458	HPSUILHDVZIACN-MOPGFXCFSA-N	535.663	2.810	0	40	KFAB	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)c3[nH]c(C)c(C(C)=O)c3C)n2N)c1	3338051	INFLMICZWBCBOQ-UHFFFAOYSA-N	504.638	2.812	0	40	KFAB	
Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(O)cc2)cc1	12473939	YLMZOTNBRWDHLM-WIYYLYMNSA-N	509.588	2.522	0	40	KFAB	
C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)cc2)C1	13138200	MOTHWNJSGXNTPC-KDURUIRLSA-N	521.661	2.626	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	13801935	RZDCWQQGTDMBOO-YLVTVWEBSA-N	508.552	2.544	0	40	KFAB	
COc1ccc(CCN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@H]2CCCO2)c2ccncc2)cc1OC	17376543	ZCFPVQZTCBOCCJ-BTYSJIOQSA-N	558.639	2.951	0	40	KFAB	
COc1ccc([C@H](CNC(=O)[C@H](CCSC)NS(=O)(=O)c2ccc(C)cc2)N2CCOCC2)cc1	33026089	OGADJNZGDCMTKC-ZEQRLZLVSA-N	521.705	2.593	0	40	KFAB	
CC(=O)c1cccc(N2C(=O)[C@@H]3[C@H](C(=O)Nc4cc(C)on4)[C@]4(C)C=C[C@]3(O4)[C@H]2C(=O)NC(C)(C)C)c1	33939919	IIOSDNZJVAGURR-FIWHOETCSA-N	506.559	2.784	0	40	KFAB	
O=C(COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)NCc1ccc(S(=O)(=O)N2CCCC2)cc1	59838921	OOTWIYPRLCGZML-UHFFFAOYSA-N	557.694	2.687	0	40	KFAB	
Cc1c(C)c2c(OCC(=O)NCC(=O)NCC(=O)NCCc3cccs3)cc3c(c2oc1=O)CCC(C)(C)O3	97957195	XVLXSTHUEIPBOR-UHFFFAOYSA-N	555.653	2.545	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3Cl)[C@H](C)C(=O)NC[C@H]3CCCO3)n2)cc1OC	100277239	SVSOARRIOWVQMO-YLJYHZDGSA-N	543.024	2.723	0	40	KFAB	
COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=S)NC(=O)c2cccc(I)c2)c1	105302565	YHDOZKTUDQBZAH-UHFFFAOYSA-N	538.411	2.956	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	222533403	MSTWDBBKANYOSQ-QHCPKHFHSA-N	523.586	2.746	0	40	KFAB	
CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCNS(=O)(=O)c3ccc(C)cc3)cc2)cc1	222704155	OZNSGDOKTZHFPN-UHFFFAOYSA-N	547.655	2.668	0	40	KFAB	
CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	224166910	UKNGFVYDGXLWPC-JOCHJYFZSA-N	517.648	2.866	0	40	KFAB	
CCc1cc2c(=O)c(-c3nc(C)cs3)coc2cc1O[C@H](C)C(=O)N[C@H](CCCNC(N)=O)C(=O)O	256027863	HALZLNPMUVRHCC-CXAGYDPISA-N	516.576	2.573	0	40	KFAB	
CS(=O)(=O)N(CC(=O)N1C[C@H](C(=O)NCc2ccccc2)Oc2ccccc21)Cc1ccc(F)cc1	260740190	LZDYFRRIFIQXCS-XMMPIXPASA-N	511.575	2.698	0	40	KFAB	
COc1ccc(C)cc1N([C@H](C)C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)S(C)(=O)=O	260888493	OVVANIZVLFTSLQ-HXUWFJFHSA-N	553.703	2.528	0	40	KFAB	
CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)c(Cl)c1	408591024	IKRRBTBJUXMGBZ-UHFFFAOYSA-N	500.957	2.850	0	40	KFAB	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCCO4)c(=O)n2[C@H]1c1cc(Cl)ccc1OC	408943799	MDCBQGJLPXZGRL-IYMWYRQMSA-N	512.971	2.841	0	40	KFAB	
CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(I)c(OCC(=O)O)c(OC)c2)C1=O	409019906	KULUUYZVXSMVAP-MRACZJACSA-N	535.312	2.751	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OCCCn3cc(C)ccc3=O)cc2)C[C@@](O)(COc2ccccc2)C1	585280496	OPCPLIIDCOMYBS-HKBQPEDESA-N	549.668	2.727	0	40	KFAB	
CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCCc2ccccc2)CCC(=O)N[C@@H](Cc2ccc(O)cc2)C1=O	643568499	FUSCEUHBCOTCDT-NSOVKSMOSA-N	586.689	2.598	0	40	KFAB	
COc1cc(-n2c(O)c([C@@H]3c4c(cc5c(c4OC)OCO5)CCN3C)c(=O)n(C)c2=S)cc(OC)c1OC	2151405	FIVGPUXVPCMHDA-FQEVSTJZSA-N	543.598	2.951	0	40	KFAB	biogenic
CCOC(=O)c1c(NC(=O)CN2C(=O)N[C@](C)(c3ccc(Cl)cc3)C2=O)sc(C(=O)NC)c1C	3448618	GPPYNFUOANPQHW-JOCHJYFZSA-N	506.968	2.652	0	40	KFAB	
COC(=O)C1=C(C(=O)OC)[C@@H]2c3cccc4cccc(c34)[C@@]2(N2CCCC2)C(C(=O)OC)=C1C(=O)OC	19923655	LPTCPUXFVDNFRI-DWACAAAGSA-N	505.523	2.527	0	40	KFAB	
CC[C@H](SC1=Nc2ccccc2C2=N[C@@H](CC(=O)NCc3ccco3)C(=O)N12)C(=O)NCCCOC	20643029	RUBBAQOQMGPOHD-PMACEKPBSA-N	511.604	2.609	0	40	KFAB	
O=C(CSc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)s1)Nc1cccc(F)c1	97987865	GROGEMDIAWAWKB-UHFFFAOYSA-N	537.620	2.681	0	40	KFAB	
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3ccc(COc4ccc(F)cc4Cl)o3)[C@@H]2SC1	101571581	AJRKVOGOICUTKC-UTKZUKDTSA-N	524.910	2.566	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(Cc2ccccc2)C[C@@H](O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	102929366	SJTHDJDPGZVSQE-XMMPIXPASA-N	560.694	2.647	0	40	KFAB	
COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccc(C)cc2)c1	106006730	AXYCOGWSBBIGHF-UHFFFAOYSA-N	589.692	2.867	0	40	KFAB	
CC(=O)c1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)S(C)(=O)=O)c1	215911252	WHKINLMFQZIPKU-UHFFFAOYSA-N	531.616	2.502	0	40	KFAB	
CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1	224421046	KHWMWBSJFPRKNO-XMMPIXPASA-N	553.703	2.610	0	40	KFAB	
CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225036645	VPULWJDQAMMJLP-FQEVSTJZSA-N	547.674	2.956	0	40	KFAB	
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	265540709	PKWRMUKBEYJEIX-OCWPFBGWSA-N	806.956	2.608	0	40	KFAB	
Cn1c(O)c(C(c2cc(Br)c(O)c(I)c2)c2c(O)n(C)c(=S)n(C)c2=O)c(=O)n(C)c1=S	409097838	OENMPTUBAFXALA-UHFFFAOYSA-N	653.318	2.884	0	40	KFAB	
COC[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)NC2(CCCCC2)C(=O)N[C@@H](C(C)C)COc2ccccc2C(=O)N1	643578810	SYZIFQGKTYNFQS-OEMFJLHTSA-N	556.704	2.555	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)n(C)c(=O)n4C)c(=O)n2[C@H]1c1ccc(Cl)cc1	1413748	XYSUCPKJTCYZEX-WLJFKGHSSA-N	523.014	2.642	0	40	KFAB	
CCN(CC)CCNC(=O)/C(=C/c1cn(S(=O)(=O)N(C)C)c2ccccc12)NC(=O)c1ccc(OC)cc1	8766793	DMHSQXMCYLQLHA-MOHJPFBDSA-N	541.674	2.533	0	40	KFAB	
COC(=O)[C@@]1(CCSC)N[C@@H](c2ccc(F)cc2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21	12498037	CITAGPGHBLMFIZ-PDFGSZSQSA-N	500.548	2.712	0	40	KFAB	
CCOC(=O)c1ccc(NC(=O)C(=O)NCCc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1	22229339	NYRDXHWUGQPFBY-UHFFFAOYSA-N	501.605	2.772	0	40	KFAB	
O=C(COc1ccc(S(=O)(=O)N2CCCCCC2)cc1)NCc1ccc(S(=O)(=O)N2CCCC2)cc1	59851977	SJOIUDUCFUPSNG-UHFFFAOYSA-N	535.688	2.731	0	40	KFAB	
CCOC(=O)c1ccc(NC(=O)Cn2c(=O)ncc3cc(S(=O)(=O)N4CCCC[C@@H]4C)ccc32)cc1	71772564	HMAAMJMZBLGHPG-KRWDZBQOSA-N	512.588	2.775	0	40	KFAB	
O=C(Nc1ccc(N2CCCC2)c(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1)c1c[nH]c(=O)[nH]c1=O	102996573	BAFDHPZLWSHZQQ-UHFFFAOYSA-N	523.493	2.735	0	40	KFAB	
CC(C)CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	224504997	HIEBLWHLOLQODQ-FQEVSTJZSA-N	506.644	2.671	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1	225535714	IHBAUYQJURXKPV-QGZVFWFLSA-N	525.624	2.658	0	40	KFAB	
C[C@H]1CC[C@]2(C(=O)O)CC[C@]3(C(=O)O)C(=CC[C@H]4[C@@]5(C)CC[C@@H](O[C@H]6O[C@H](C)[C@H](O)[C@@H](O[C@H]7O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]7O)[C@@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C	253500594	BZXXSUZFEIFGEX-GUAZSQLESA-N	794.976	2.830	0	40	KFAB	biogenic,in-vitro
COc1ccc(CN2CCO[C@@](COc3ccc(Cl)cc3)(CC(=O)N3CCN(C)CC3)C2)cc1O	257201014	AFUUFEJGWLCDID-SANMLTNESA-N	504.027	2.868	0	40	KFAB	
COC(=O)COc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc1I	409387999	SSQLJGJZBILINI-YBEGLDIGSA-N	544.367	2.892	0	40	KFAB	
COC(=O)C[C@@H](c1ccc(OCc2nccn2C)c(OC)c1)c1c(O)cc(C)n(CCc2cnc[nH]2)c1=O	604419063	RPXHVNBOEZULMO-FQEVSTJZSA-N	521.574	2.844	0	40	KFAB	
Cc1cc(NC(=O)CN2CC[C@@H]3NC(=O)[C@@H](Cc4ccccc4)NC(=O)C4(CC=CC[C@@H]3C2)CCOCC4)no1	1615122937	BMSIZPHYYZJREU-DSNGMDLFSA-N	549.672	2.603	0	40	KFAB	
CCN(CC)CCNC(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1	13138152	IVXRPBKAMOWCAY-UHFFFAOYSA-N	523.055	2.685	0	40	KFAB	
CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2)cc1	103008454	DAGSKBXJJUZTFM-UHFFFAOYSA-N	580.663	2.922	0	40	KFAB	
COC(=O)COc1cc(Br)c(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc1OC	205704353	NNWKCGNCTOESHI-GIDUJCDVSA-N	502.339	2.997	0	40	KFAB	
NS(=O)(=O)c1ccc(NC(=O)COc2c(Br)cc(C(=O)O)cc2Br)cc1	217738670	AVBZLRPSNUZHHJ-UHFFFAOYSA-N	508.144	2.575	0	40	KFAB	
CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	223667450	HSPSWJJOVXDURR-OAQYLSRUSA-N	515.632	2.952	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O	224022484	ZDLTWDYZVBHDTO-MRXNPFEDSA-N	526.453	2.777	0	40	KFAB	
COc1ccc(NS(=O)(=O)c2ccc(SC)c(NC(=O)C(C)C)c2)cc1S(=O)(=O)N1CCOCC1	224064192	FKVIGZOWNILJLA-UHFFFAOYSA-N	543.689	2.833	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O	225451008	NGKJZRJIBTZSOS-KRWDZBQOSA-N	510.454	2.995	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCSc3nc(-c4ccccc4)n[nH]3)CC2)cc1OC	226074341	NBFOHBZBGAOGEI-UHFFFAOYSA-N	531.660	2.798	0	40	KFAB	
COc1cc2c(cc1CN1CCO[C@@](COc3ccc(Cl)cc3)(CC(=O)N3CCOCC3)C1)OCO2	257292429	QLKMBKVCSWKWJI-SANMLTNESA-N	518.994	2.976	0	40	KFAB	
COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@H](C(=O)NCc2ccc3c(c2)OCO3)c2ccccc2)cc1	260725385	VPXWWBVWJQOWJO-MHZLTWQESA-N	553.637	2.702	0	40	KFAB	
COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(C)ccc2OC)C1	408587663	BUYPDDWRTPAAQB-INIZCTEOSA-N	506.577	2.847	0	40	KFAB	
O=C(C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	408695583	ROFAZZNPJIFBBL-UHFFFAOYSA-N	520.051	2.955	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCC(=O)O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	408832673	YMAUFGSHNUSZSX-XFOXHJFNSA-N	694.500	2.892	0	40	KFAB	
CC(C)[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCCN2CCCCCC2)CCC(=O)NC2(CCCC2)C(=O)N1	643572446	XJWYPEZGKXINFV-UIOOFZCWSA-N	583.774	2.910	0	40	KFAB	
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	1857794765	RGHPBLJQHRHPCQ-JPIKTFBASA-N	504.712	2.783	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(C)C(=O)NC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1	4417453	GSLLPPLPVVBCLK-UHFFFAOYSA-N	532.604	2.765	0	40	KFAB	
Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1	20032737	HUPKTWIGXOUKSI-UHFFFAOYSA-N	523.677	2.552	0	40	KFAB	
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Cl)cc3)S(C)(=O)=O)cc2)n1	59852794	ULZAQCOQEXRERD-UHFFFAOYSA-N	524.024	2.952	0	40	KFAB	
CCOC(=O)CN(C(=O)C[S@@](=O)CC(=O)Nc1ccc(C)cc1)[C@@H](CC(C)C)C(=O)NCc1ccc(F)cc1	100331211	VLDVVMBURQXASA-NHAOOCMXSA-N	561.676	2.944	0	40	KFAB	
CCN1C(=O)/C(=c2\sc3n(c2=O)[C@H](c2ccccc2Cl)C(C(=O)OCCOC)=C(C)N=3)c2ccccc21	100754959	QFJPCAPALPOYEZ-RKKARLDVSA-N	538.025	2.815	0	40	KFAB	
COc1ccc(CCN2C(=O)[C@@H]3[C@H](C(=O)Nc4cc(C)on4)[C@@]4(C)C=C[C@@]3(O4)[C@@H]2C(=O)NC(C)(C)C)cc1	221999695	NSDQYXOKVQAGLP-RWZIALJFSA-N	522.602	2.628	0	40	KFAB	
CCCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3)C2)cc1	408662661	XIQZDPGDJLGSIH-KRWDZBQOSA-N	501.923	2.582	0	40	KFAB	
O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	409335129	XQIFZDDXKNNFSC-UHFFFAOYSA-N	528.052	2.788	0	40	KFAB	
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)NCCN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)[C@@H]21	524729605	AGHSCBVHLMCXMS-HSNRCERBSA-N	597.672	2.606	0	40	KFAB	biogenic
CCN(CC)CCCNC(=O)[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCOc2ccccc2C(=O)N1	643577341	VWYKSTNCCFBCEQ-IMKBVMFZSA-N	737.902	2.858	0	40	KFAB	
Cc1nonc1CC(=O)N1CCOc2ccc(-c3cncnc3)cc2Cc2cccc(c2)C(=O)N(C)CC1	643582386	XBSNSCMMGXNAHG-UHFFFAOYSA-N	512.570	2.962	0	40	KFAB	
Cc1nc2ccc(NC(=O)CN3CCC[C@@]4(CC=CCOc5ccccc5C(=O)NCCNC4=O)C3)cc2[nH]1	2037879765	PAMXDRCAOMWNGS-LJAQVGFWSA-N	530.629	2.777	0	40	KFAB	
CC(C)C(NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1)C(C)C	835570	NKLWZMDOGSSGDK-JOCHJYFZSA-N	507.678	2.547	0	40	KFAB	
CCOC(=O)C1=c2s/c(=C\c3ccc(OC)cc3)c(=O)n2C(N)=C(S(=O)(=O)c2ccccc2)[C@H]1c1ccc(OC)cc1	8448696	NWTJMCVDWNDDAQ-IEUUHXEXSA-N	604.706	2.826	0	40	KFAB	
Cc1cc(C(=O)COC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c(C)n1C[C@@H]1CCCO1	14197887	VZLULTCLBBDUEJ-FQEVSTJZSA-N	513.616	2.871	0	40	KFAB	
O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1	59851863	MWLRYROSYDUAAL-UHFFFAOYSA-N	580.084	2.857	0	40	KFAB	
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@H](C(=O)O)[C@H](C)CC	70700040	ZADGHZJEVVLUPY-ROQPKGOMSA-N	536.629	2.620	0	40	KFAB	biogenic
CCc1nnc(NS(=O)(=O)c2ccc(NC(=S)N3C[C@@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc2)s1	101136499	GPHLENMXGCVMEY-GJZGRUSLSA-N	516.674	2.879	0	40	KFAB	
CCOC(=O)c1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]32)cc1	101387689	XWHAOADMAGLZGJ-MSOLQXFVSA-N	500.309	2.558	0	40	KFAB	
CC(C)(C)OC(=O)N1[C@@H]2ON(C(=O)OCc3ccccc3)[C@@H]([C@@H]3[C@H](NC(=O)Cc4ccccc4)C(=O)N31)[C@H]1OC(C)(C)O[C@H]12	103690126	YHPVQRNEIJZYRI-DUVFKKOISA-N	608.648	2.889	0	40	KFAB	
CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	222883557	SLYPNZMYWNDMKM-JOCHJYFZSA-N	533.647	2.912	0	40	KFAB	
O=C(NCCO)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1	223036772	WNXMURSDRKZNRQ-NDEPHWFRSA-N	549.693	2.809	0	40	KFAB	
COC(=O)[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c2ccccc2O1	226073389	BKODNUZNDAIOOL-FQEVSTJZSA-N	523.405	2.817	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1ccc(OC)cc1)[C@H](C)C(=O)NCC(C)C)c1ccc2c(c1)OCO2	260880200	HYBWPJQCTOCVQU-LJQANCHMSA-N	533.647	2.770	0	40	KFAB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(I)c(O[C@H](C)C(=O)OC)c(OC)c3)C2=O)o1	409400529	SLVBBXUIIIQHNQ-SHLUWWQESA-N	584.319	2.713	0	40	KFAB	
Cc1nc(C2CC2)ncc1C(=O)N1CCO[C@](COc2cccc(Cl)c2)(CC(=O)N2CCOCC2)C1	585287498	YESSHSBGISFODU-AREMUKBSSA-N	515.010	2.855	0	40	KFAB	
CN1C(=O)[C@H](CO)NC(=O)CC[C@@H](C(=O)NCC(C)(C)c2ccc(F)cc2)NC(=O)c2ccccc2OC[C@H]1Cc1ccccc1	643569594	KYXBOYISBVAEJF-FGUUHEIUSA-N	632.733	2.738	0	40	KFAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N(C)CCOc2ccccc2C)CC(=O)N[C@H](CC(C)C)C1=O	643579197	UAOGVYOZVDZBJW-RPBOFIJWSA-N	566.699	2.793	0	40	KFAB	
COCC(=O)N1CCCCCCCNCc2cc(C(=O)NCCc3ccc(S(=O)(=O)N(C)C)cc3)ccc21	643583871	DQFSPYFGGPPAFB-UHFFFAOYSA-N	544.718	2.943	0	40	KFAB	
O=C(Nc1ccc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2c1)Nc1ccc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2c1	4428516	WUIMYFBMZZREMR-UHFFFAOYSA-N	632.628	2.624	0	40	KFAB	
CC(=O)O[C@H](C(=O)Nc1ccccc1C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)Nc1ccccc1C	8430021	ODNNSSVHYRRBGB-ASDGIDEWSA-N	556.568	2.607	0	40	KFAB	
CC(C)Oc1ccc(C(=O)OCC(=O)NCCNC(=O)COC(=O)c2ccc(OC(C)C)cc2)cc1	12798321	CKDJLBFRWDFKPH-UHFFFAOYSA-N	500.548	2.507	0	40	KFAB	
COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(Cc3ccccc3)CC2)cc1OC	22246657	OSJQFGHNOFQFTO-VWLOTQADSA-N	523.655	2.938	0	40	KFAB	
COc1cc(C(=O)N2CCC(C(N)=O)CC2)c(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1OC	22254124	CCBIVTRBHIILST-UHFFFAOYSA-N	510.012	2.661	0	40	KFAB	
O=C1N[C@@]2(CCS(=O)(=O)c3ccc(F)cc32)C(=O)N1CC(=O)N1N=C(/C=C/c2ccco2)C[C@H]1c1ccco1	97981155	LCLFAAANLAQTQA-INXXOQNHSA-N	552.540	2.979	0	40	KFAB	
CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)COC(=O)c1ccccc1OCc1ccc(Cl)cc1Cl	102220443	DOAMGUDWUTUGDS-GOSISDBHSA-N	557.452	2.881	0	40	KFAB	
O=c1cc(CN2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)nc2sc(-c3ccccc3F)nn12	102350160	VPFSAYCIAMJDCV-UHFFFAOYSA-N	521.546	2.742	0	40	KFAB	
CC(=O)Nc1ccc(S(=O)(=O)N(C)C[C@H](O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	102415499	CJMCIBOCKSWELI-QHCPKHFHSA-N	549.646	2.969	0	40	KFAB	
Cc1ccc(C)c(N2CCN(S(=O)(=O)c3nn(C)cc3C(=O)N3CCN(c4ccc(F)cc4)CC3)CC2)c1	102920288	MYMSORANRVJHOD-UHFFFAOYSA-N	540.665	2.649	0	40	KFAB	
COc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@H]3C[C@H](O)CN3S(=O)(=O)c3ccc(C)cc3)ccc2C)cc1	102999373	CVOVVFDHILIZOV-XUZZJYLKSA-N	559.666	2.875	0	40	KFAB	
COC(=O)[C@]1(SC23CC4CC(CC(C4)C2)C3)C[C@@H]2OC(=O)N(C(C)=O)[C@H]2[C@H]([C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)O1	138861348	CBVNXKNGWZDTIK-VHOHUEAASA-N	625.693	2.509	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	223255305	BNSOTUDPSVTGTH-GOSISDBHSA-N	523.627	2.943	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C)cc1	224464516	HKLPAVLWRNSGNJ-IBGZPJMESA-N	535.663	2.668	0	40	KFAB	
O=S(=O)(Cc1c(Cl)cccc1Cl)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1	224465385	SXIJILJLXUGGMH-UHFFFAOYSA-N	509.433	2.513	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O	225422188	PAPDVYCAZYUOQY-AWEZNQCLSA-N	500.390	2.518	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CC(=O)NCCNS(=O)(=O)c2ccc(C)cc2)Cc2ccccc2)cc1C	226046120	VNEGWCWXBSUFSR-UHFFFAOYSA-N	545.683	2.598	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@H](NC(=S)Oc2cccc(Oc3ccccc3)c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	254624343	NSLNXOJKPCPSDD-QJEZIUSSSA-N	575.592	2.815	0	40	KFAB	
COc1ccc(OC)c(S(=O)(=O)N2CCC(COc3ccccc3)(CC(=O)N3CCOCC3)CC2)c1	257221616	DPVUVMHXUXORTN-UHFFFAOYSA-N	518.632	2.803	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	260923831	GVVZEQBFHPDVNW-AVRDEDQJSA-N	533.647	2.912	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCC(=O)OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409041851	VXUBAXSBHXZWHB-UIFFJVJYSA-N	689.139	2.963	0	40	KFAB	
COC(=O)c1ccc(Cl)c(NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c1	409260846	XMIAGVSBVOBBLB-HSZRJFAPSA-N	578.068	2.829	0	40	KFAB	
O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4cc(C5CCCC5)ccc41)CC[C@@H]3O)N(CC1CC1)C2	514287474	FGCVUADESWWBMV-ZUGAHZRVSA-N	511.663	2.734	0	40	KFAB	
Cc1nn(CCNC(=O)[C@@H]2CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCCOc3ccccc3C(=O)N2)c(C)c1C	643576489	MIYLVYOHMOSHJR-CPCREDONSA-N	701.869	2.613	0	40	KFAB	
CCOc1ccc(CC(=O)N2CCCCC3(CCN(Cc4ccccn4)CC3)C(=O)OC[C@@H](O)[C@@H](O)CC2)cc1	643578827	ILXUWWVGMUAOAZ-WUFINQPMSA-N	553.700	2.973	0	40	KFAB	
COCC(=O)N1CCN(C(=O)COc2ccc(-c3csc(C)n3)cc2)CCCCOC[C@H](O)[C@H](O)[C@@H](OC)[C@@H]1CC(C)C	643586937	MBUYDHHNUDKDLA-FXZOGHEHSA-N	621.797	2.763	0	40	KFAB	
O=C1NC2(CCOc3cc(-c4cccnc4)ccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(Cc1ccccc1F)CC2	1548890550	SSJFHZYMSSRVJC-RSXGOPAZSA-N	580.682	2.945	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC	2304210	QAFXIQCQEGZAPL-CVGPFBNFSA-N	524.595	2.833	0	40	KFAB	
CCCCn1c(N)c(N(CCOC)C(=O)COc2ccc(Br)cc2Br)c(=O)[nH]c1=O	3446354	HUYGJKJFBGXDOM-UHFFFAOYSA-N	548.232	2.502	0	40	KFAB	
Cn1c(=O)c2c(nc(SCC(=O)N3CCc4ccccc4C3)n2Cc2ccc(Br)cc2)n(C)c1=O	4113178	ZMDBQWCSNMDJND-UHFFFAOYSA-N	554.470	2.922	0	40	KFAB	
COc1ccc(-c2cc([C@H]3CN4CC[C@H]3C[C@@H]4CNC(=O)CSCC(=O)O)nc(C)n2)cc1OC	15672500	FFCBDERBXKIESX-UHOSZYNNSA-N	500.621	2.581	0	40	KFAB	biogenic,in-vitro
CS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)c2)nn1	15880813	PSASRWYCBSEACF-UHFFFAOYSA-N	500.602	2.974	0	40	KFAB	
O=C(NC[C@@H]1CCCO1)[C@H](c1ccncc1)N(Cc1ccccc1Cl)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	33356913	AAPMPJKZWNULAR-LVXARBLLSA-N	583.066	2.945	0	40	KFAB	
O=C(NCSC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O)c1ccccc1	70707402	RVGJOSFRXWYYDR-DQEYMECFSA-N	585.642	2.645	0	40	KFAB	biogenic
COc1ccc(OC)c(-n2c(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)nnc2SCC(=O)N2CCc3ccccc32)c1	97985190	MSIPNMMGBDKGAL-UHFFFAOYSA-N	678.793	2.917	0	40	KFAB	
CCOc1ccccc1N1CCN(C(=O)CN2N=C(c3nc(-c4ccc5c(c4)OCO5)no3)CCC2=O)CC1	101356538	ALGSVOQIHGNUHI-UHFFFAOYSA-N	532.557	2.539	0	40	KFAB	
COC(=O)c1ccc(C(=O)OC)c(NC(=O)COC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)c1	102778772	TXWCVWWYNRTVCQ-FQEVSTJZSA-N	524.551	2.844	0	40	KFAB	
COc1ccc(C(OC[C@]23CO[C@H]([C@@H]2O)[C@H](n2cc(C)c(=O)[nH]c2=O)O3)(c2ccccc2)c2ccc(OC)cc2)cc1	137921926	LRHODMQLNIWFSL-LBWLPYLASA-N	572.614	2.898	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1	222807088	YLMYIQQUQIYRRR-FQEVSTJZSA-N	553.637	2.825	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	222866074	YAWQDOXOBFALBQ-DEOSSOPVSA-N	553.637	2.576	0	40	KFAB	
COc1ccc(N(CCCC(=O)Nc2cc(S(=O)(=O)NC(C)C)ccc2OC)S(C)(=O)=O)cc1	225717354	DNBBWERPMUQQLM-UHFFFAOYSA-N	513.638	2.575	0	40	KFAB	
COC(=O)/C=C/CC/C=C/[C@H](OC)[C@H](O)[C@H](C)[C@H](O)/C(C)=C/[C@@H](C)C(=O)CCC[C@H](CC(N)=O)CC(=O)O	252516316	RSNBAEGFNZIXPM-BJTXBQJRSA-N	539.666	2.713	0	40	KFAB	biogenic,in-vitro
COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(OC)c(I)c1	408606539	KQDOLIOYZHOFKG-UHFFFAOYSA-N	507.302	2.904	0	40	KFAB	
CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OCC)=C(C)N=3)cc1OC	408768075	HUZHETSJVQSVBB-JPFXZVHCSA-N	542.635	2.810	0	40	KFAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCOc2ccc(C)cc2OC)CC(=O)N[C@@H](Cc2ccccc2)C1=O	643578884	IJHIGORTZMCOOT-SVBPBHIXSA-N	616.715	2.656	0	40	KFAB	
CCOc1ccc(CC(=O)N2CCCCC3(CCN(Cc4ccncc4)CC3)C(=O)OC[C@@H](O)[C@@H](O)CC2)cc1	643579048	RECJKOONJBNOAY-WUFINQPMSA-N	553.700	2.973	0	40	KFAB	
Cc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)[C@@H](C(=O)NC[C@H]3CCCO3)c3ccco3)n2)o1	12716757	WMSORWXFVJMXLR-VGOFRKELSA-N	510.576	2.961	0	40	KFAB	
CCOC(=O)C1=C(CSc2nnc(COc3ccc(F)cc3)n2N)NC(=O)N[C@H]1c1ccc(C)o1	12792728	SYRSUWUDFQSSQN-IBGZPJMESA-N	502.528	2.575	0	40	KFAB	
Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(I)cc3)CC2)n1	17012752	JJUADLSRXFURKM-UHFFFAOYSA-N	513.405	2.501	0	40	KFAB	
CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@@H](CC(C)C)C(=O)O	70704752	LDVRDOBJIVCDOS-ABQRKTDGSA-N	536.629	2.620	0	40	KFAB	biogenic
COc1ccccc1Nc1ncccc1C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	103135315	GRPBNHDBTYCONC-UHFFFAOYSA-N	526.571	2.650	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	222920873	ZKGQMNKNBKDMFN-QGZVFWFLSA-N	524.039	2.821	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	223067055	KNWMKCYAPAFOQH-INIZCTEOSA-N	554.463	2.887	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	223255355	BNSOTUDPSVTGTH-SFHVURJKSA-N	523.627	2.943	0	40	KFAB	
CS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc(Cl)ccc1Cl	224294402	DXBXDJGITLOSPQ-UHFFFAOYSA-N	550.486	2.739	0	40	KFAB	
CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	224859001	JRKQYYXYEMXXBT-KRWDZBQOSA-N	509.600	2.552	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225401066	QDEIUSBTTZHDLZ-RTBURBONSA-N	533.647	2.564	0	40	KFAB	
CN(C)CCOc1cccc(CN2CCO[C@](COc3ccc(F)cc3)(CC(=O)N3CCN(C)CC3)C2)c1	257299983	RSKNICMYRGPCBV-GDLZYMKVSA-N	528.669	2.580	0	40	KFAB	
COc1ccc(OC)c(N(CC(=O)NC[C@H]2COc3ccccc3O2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	260907915	UARDAQJSCJRWBL-IBGZPJMESA-N	558.609	2.873	0	40	KFAB	
COc1cc(OC)cc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3ccc(Br)cc3Cl)CC2=O)c1	408663432	YEIFWHHPNZZNFB-ZDUSSCGKSA-N	554.781	2.795	0	40	KFAB	
COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C4\C(=O)Nc5ccc(C)cc54)c(=O)n32)cc1	409109279	AVGWVMMRVOBXQM-VFJWVMJUSA-N	503.580	2.826	0	40	KFAB	
Cc1cc(OC[C@]2(CC(=O)N3CCOCC3)CN(C(=O)Cn3cc(C(F)(F)F)cn3)CCO2)ccc1Cl	585283373	DTKWNGSMACMGTN-QHCPKHFHSA-N	544.958	2.789	0	40	KFAB	
COc1cc(CN2CC[C@H](O)[C@@](O)(COc3cc(F)c(F)c(F)c3)C2)ccc1OCCn1cccn1	585286658	HJGISWDGWVOSCI-ZCYQVOJMSA-N	507.509	2.765	0	40	KFAB	
O=C(c1ccc(Cl)cn1)N1CCCCC2(CCN(Cc3ccncc3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1	643577997	KWWULMJEIUWNSQ-BJKOFHAPSA-N	531.053	2.694	0	40	KFAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NC2CCN(Cc3ccccc3)CC2)CC(=O)N[C@@H](Cc2ccccc2)C1=O	643582552	KFMIEVNEOHWYPZ-CONSDPRKSA-N	625.770	2.924	0	40	KFAB	
CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)sc2c1CCN(C(C)=O)C2	3007281	APFDERGLUNLEPU-IYBDPMFKSA-N	549.671	2.880	0	40	KFAB	
CC(C)C[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@H](CCC(=O)OCc1ccccc1)C(N)=O	4574647	XBCBVEZYAJFLPS-MQSCRBSSSA-N	548.681	2.560	0	40	KFAB	
CCOCCCN(C(=O)Cn1nnc(-c2ccc(C)o2)n1)[C@@H](C(=O)NC[C@@H]1CCCO1)c1cccs1	6600171	RONXWPVSFDQTAT-PGRDOPGGSA-N	516.624	2.595	0	40	KFAB	
CC(=O)Nc1ccc(S(=O)(=O)NCCCCCCCNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	8443580	LSGHHQSHRDTCFI-UHFFFAOYSA-N	524.665	2.811	0	40	KFAB	
CN1C(=O)COc2ccc(S(=O)(=O)Nc3ccc(-c4ncc(CN5CCOCC5)s4)cc3)cc21	12416805	ICJVTGXZBCUASV-UHFFFAOYSA-N	500.602	2.798	0	40	KFAB	
COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2C)cc1	12711375	BTASHQHQWXQYTD-AVRDEDQJSA-N	523.615	2.825	0	40	KFAB	
O=C(COC(=O)CNC(=O)c1ccc(Cl)cc1Cl)Nc1cccc(S(=O)(=O)N2CCCC2)c1	12980399	SYQVVWFXACHQST-UHFFFAOYSA-N	514.387	2.690	0	40	KFAB	
CC(=O)c1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)S(C)(=O)=O)c1	14153618	VHIDTFHXPGALOK-UHFFFAOYSA-N	508.603	2.551	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3Cl)[C@@H](C)C(=O)NC[C@@H]3CCCO3)n2)cc1OC	100277233	SVSOARRIOWVQMO-PXNSSMCTSA-N	543.024	2.723	0	40	KFAB	
COc1cc(S(=O)(=O)N2CCC(c3nc4ccccc4s3)CC2)ccc1S(=O)(=O)N1CCOCC1	100440881	BIZFUIVKFBFHTJ-UHFFFAOYSA-N	537.685	2.894	0	40	KFAB	
C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCN(S(=O)(=O)c4ccc(OC(F)(F)F)cc4)CC3)c2)C[C@H](C)O1	103037999	WFLNYQRBIDFUQF-ROUUACIJSA-N	591.630	2.530	0	40	KFAB	
O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1	216325170	DQBFZLYVOPMVPV-UHFFFAOYSA-N	586.530	2.651	0	40	KFAB	
CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	222819284	RRDQOFIPMZESHZ-QFIPXVFZSA-N	535.663	2.810	0	40	KFAB	
COc1ccc(-c2noc(CNC(=O)CCc3cc(S(=O)(=O)N4CCCC4)ccc3OC)n2)cc1	223034412	SFTOQONUFLFLDY-UHFFFAOYSA-N	500.577	2.787	0	40	KFAB	
O=C(NCCO)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1	223036840	WNXMURSDRKZNRQ-MUUNZHRXSA-N	549.693	2.809	0	40	KFAB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1CCCN1CCOCC1	223135640	DKVKVEMYMFSVPG-IZZNHLLZSA-N	512.724	2.527	0	40	KFAB	
O=S1(=O)NC[C@H](O)CN(Cc2ccncc2)C[C@]2(COc3cc(-c4cccc(C(F)(F)F)c4)ccc31)C[C@H](O)[C@H](O)C2	253408385	XTCMXWJVAFFJQU-CDILPITASA-N	607.651	2.803	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(O)c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	408982912	KAGUOCPRWIOZHW-YOKWNPFVSA-N	540.594	2.538	0	40	KFAB	
COc1ccccc1C(=O)N1CCCCC2(CCN(Cc3ccncc3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1	643577921	IHGZPMZENNKZIX-LOSJGSFVSA-N	525.646	2.654	0	40	KFAB	
O=C(CSc1nc2ccccc2s1)NNC(=O)[C@@H](Cc1cnc[nH]1)C1C(=O)c2ccccc2C1=O	3270223	FOXHBTNXMMTBNK-INIZCTEOSA-N	505.581	2.813	0	40	KFAB	
CC(C)(C)NC(=O)[C@@H](c1cccs1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCCO2	6074731	GYTCSYYAKOWYSC-GOSISDBHSA-N	515.617	2.960	0	40	KFAB	
CCOC(=O)CNC(=O)[C@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc2ccccc12	6547098	LYQCFFDMYSLPQB-QHCPKHFHSA-N	547.593	2.750	0	40	KFAB	
CCCCNC(=O)CSc1nc2cc3c(cc2c(=O)n1CCCC(=O)NCc1ccc2c(c1)OCO2)OCO3	8673633	KJHUKGRKRUGOKR-UHFFFAOYSA-N	554.625	2.959	0	40	KFAB	
Cc1ccccc1OC[C@@H](O)Cn1c(N2CCC(Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C	9089259	NWTOMNJNTOXKHM-QFIPXVFZSA-N	503.603	2.631	0	40	KFAB	
CC[C@@H](C)[C@H](NC(=O)C1CCN(C(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)CC)CC1)C(=O)O	12866293	AFRSLTBASRDXLU-UBBRYJJRSA-N	509.669	2.542	0	40	KFAB	biogenic
CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N3CCN(C(=O)c4ccco4)CC3)cc2c1	19973304	WLMHDYWPYPLLNF-QFIPXVFZSA-N	505.579	2.809	0	40	KFAB	
COc1ccc(C)cc1NC(=O)Cn1c(=O)n(CC(=O)NC2CCCC2)c(=O)c2oc3ccccc3c21	72332071	HOQIJZUQFZWYQY-UHFFFAOYSA-N	504.543	2.924	0	40	KFAB	
CC(C)[C@@H](C(=O)O)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@H]4Sc5[nH]c(=O)sc5[C@@H](c5ccccc5O)[C@H]34)[C@@H]2C1=O	101174902	CXHOWVXUEZYAFS-VDMOYTTCSA-N	500.598	2.725	0	40	KFAB	
Cn1c(=O)c2c(nc(CN3CCN(c4ccc(F)cc4)CC3)n2Cc2ccc(Br)cc2)n(C)c1=O	101463686	PJRNHJJERKGPFK-UHFFFAOYSA-N	541.425	2.706	0	40	KFAB	
COC(=O)Cn1c(=O)c(C(=O)COC(=O)c2ccccc2Oc2ccccc2)c(N)n(Cc2ccccc2)c1=O	103109345	LOTVPAOJFDZPRB-UHFFFAOYSA-N	543.532	2.646	0	40	KFAB	
Cc1ccccc1CN(C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O)[C@@H](C)C(=O)NC1CCCC1	223776109	LGULEUQFLJRACU-IBGZPJMESA-N	515.632	2.966	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O	225028755	JWOHUYOYUPITTO-LJQANCHMSA-N	533.647	2.914	0	40	KFAB	
CO[C@@H]1CN(C(C)=O)C[C@H](CC(C)C)N(C(=O)c2ccc(C(F)(F)F)cc2)CCCCOC[C@@H](O)[C@H]1O	643551558	SIPDYSXGZZQQQM-OLKYXYMISA-N	532.600	2.958	0	40	KFAB	
COC(=O)c1c(NC(=O)COC(=O)/C=C/c2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)sc2c1CCC2	3379143	PRYXNXVKROKVLM-YBJDMEARSA-N	542.035	2.736	0	40	KFAB	
CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(N)=O	6075218	UECOVOLGPHUWDG-XZOQPEGZSA-N	555.628	2.897	0	40	KFAB	
COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=S)N2CCc2ccc(S(N)(=O)=O)cc2)cc1	6973817	GWGCUQJZVGKLJV-HSZRJFAPSA-N	538.651	2.916	0	40	KFAB	
COc1c2ccoc2nc2c(OC)c(O[C@@H]3O[C@H](C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)ccc12	8740106	VEPUODFCYPKQKH-IVBNQMQJSA-N	517.487	2.917	0	40	KFAB	biogenic
CCCCCN(C(=O)CCC(=O)O[C@H](C)C(=O)N(C)c1ccccc1)c1c(N)n(CCCC)c(=O)[nH]c1=O	12972215	OGVJWXCUNYQZJI-LJQANCHMSA-N	529.638	2.817	0	40	KFAB	
CCCCNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)N[C@@H](C)CC)c2=O)cc1	35427898	LXAACKSWTKSSCP-SFHVURJKSA-N	524.618	2.673	0	40	KFAB	
COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1	60060999	WGGDJQMFSAOUIM-NRFANRHFSA-N	537.704	2.995	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(N4CCOCC4)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	100225547	SJTKREGAKLEHGI-PZDOZLBDSA-N	602.463	2.719	0	40	KFAB	
O=C(COC(=O)[C@H](CCCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccccc1	100557641	DEBNVJCUUFJKGP-XNRUCKIJSA-N	556.615	2.566	0	40	KFAB	
CCOC(=O)c1ccc(S(=O)(=O)N2CCN([C@H]3CC(=O)N(c4ccccc4C(F)(F)F)C3=O)CC2)cc1	102315321	CPOHQDMMOGOKHH-FQEVSTJZSA-N	539.532	2.521	0	40	KFAB	
COc1ccc(C(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1S(=O)(=O)N1CCOCC1	103041910	WMXMUKAHQMFMAQ-UHFFFAOYSA-N	545.639	2.794	0	40	KFAB	
O=C(CSC(=S)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1	113480858	RAWQLTRWUUNYFT-IRXDYDNUSA-N	556.695	2.515	0	40	KFAB	
CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	223123690	LMDYLKFIZBRIFB-XMMPIXPASA-N	519.623	2.997	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1	223585588	CJONXCCEZPDKQH-QGZVFWFLSA-N	525.649	2.672	0	40	KFAB	
Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1	226055090	FVDCDVNQGNUQOT-UHFFFAOYSA-N	571.721	2.996	0	40	KFAB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N2C[C@H](C(=O)NCCc3ccccc3)Oc3ccccc32)cc1C	260830817	SPLXUMSGBLYNPM-AREMUKBSSA-N	537.638	2.777	0	40	KFAB	
COC(=O)c1cc(NC(=O)COc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc(C(=O)OC)c1	408582850	FKVOIADEJDAQEL-UHFFFAOYSA-N	526.567	2.798	0	40	KFAB	
CCOC(=O)COc1cccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(F)cc2)C(C(=O)OCC)=C(C)N=3)c1	408804360	DXCPNTNSEXAQPN-WNOSOOIWSA-N	524.570	2.879	0	40	KFAB	
CCOC(=O)c1ccccc1NC(=O)CN(c1ccc(I)cc1)S(C)(=O)=O	409025812	XMZKYSXUIBSBJK-UHFFFAOYSA-N	502.330	2.873	0	40	KFAB	
CS(=O)(=O)CC[C@@H](C(=O)OCC(=O)c1ccccc1)N1C(=O)c2ccc(C(=O)OCC(=O)c3ccccc3)cc2C1=O	409180291	QPEXDDRXVTXBIU-DEOSSOPVSA-N	591.594	2.552	0	40	KFAB	
COc1ccc(CN2CCN(C(C)=O)C[C@](O)(COc3ccc(F)cc3)C2)cc1OCCn1cc(C)cn1	585280481	OFBXHRIXSQUCHW-NDEPHWFRSA-N	526.609	2.892	0	40	KFAB	
COc1cccc(CCCNC(=O)[C@@H]2CCC(=O)N[C@@H](Cc3ccccc3)C(=O)NCCCOc3ccccc3C(=O)N2)c1	643566455	DRPZVNQLFISYJT-VMPREFPWSA-N	600.716	2.949	0	40	KFAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCc2ccc(CN3CCOCC3)cc2)CC(=O)N(Cc2ccccc2)CC1=O	643570851	TYIXXSWJEUJNRN-HKBQPEDESA-N	641.769	2.593	0	40	KFAB	
COc1ccc(N2C(=O)NC(=O)[C@@](Cc3cccs3)(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)C2=O)cc1	2156144	XBJYDSQMRDDDCT-FSQFJQELSA-N	532.622	2.850	0	40	KFAB	biogenic
CCOC(=O)CNC(=O)[C@@H](c1ccc(OCC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(C)ccc1C	6601626	RTVJJJOBZNJERZ-HSZRJFAPSA-N	553.641	2.907	0	40	KFAB	
Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC[C@H]1CCCO1)c1ccc(F)cc1	12473165	VAFBBKYGYMPVNF-UTKZUKDTSA-N	511.579	2.955	0	40	KFAB	
CN(C)CCCNC(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1	13648560	JUDPQORJWJPTHW-UHFFFAOYSA-N	501.390	2.554	0	40	KFAB	
CC(=O)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(C)=O)[C@]3(C(C)(C)O)C[C@H](O)C(C)=C3[C@@H](OC(=O)c3ccccc3)[C@H](OC(C)=O)[C@]12C	27311721	IKDVXNASCSGIHM-SZBOGCPYSA-N	672.724	2.586	0	40	KFAB	biogenic
CCOC(=O)c1cn(-c2nc(N)c(F)cc2F)c2cc(N3CC(OC(=O)C(C)C)C3)c(F)cc2c1=O	35903951	VMXLACIKUJJQTC-UHFFFAOYSA-N	504.465	2.950	0	40	KFAB	
CN(C(=O)COC(=O)CSc1cc(Cl)ccc1Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	38140776	HLGIRKUVKILMOV-UHFFFAOYSA-N	523.398	2.772	0	40	KFAB	
CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@H](C)C(=O)NC[C@@H]2CCCO2)cc1	222947476	JFENJXCGDWAIML-YKSBVNFPSA-N	531.675	2.639	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O	223485206	NIMHJNIFNDVFTJ-IBGZPJMESA-N	505.637	2.803	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1	409038124	DQWXIDUVMDJDSB-VEOZPNHKSA-N	580.707	2.939	0	40	KFAB	
CCCC1=C(C(=O)OCC)[C@H](c2cccc(OC)c2)n2c(s/c(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)c2=O)=N1	409163194	NJODOCJUGRHJHF-FJSZTYFPSA-N	605.713	2.825	0	40	KFAB	
COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)C1CCN(S(=O)(=O)Cc2cccc(C)c2)CC1	30754941	IWPREGAAQNTUEL-UHFFFAOYSA-N	523.677	2.871	0	40	KFAB	
CC[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)N(c1ccc(C)cc1)S(C)(=O)=O	30856535	XZIHYTMBWHPKMJ-HXUWFJFHSA-N	503.606	2.769	0	40	KFAB	
CCOC(=O)c1c(NC(=O)COC(=O)C[C@@H](NC(C)=O)c2ccccc2)sc(C(=O)N(C)C)c1C	32910702	KCHRUMCRUDJZDA-QGZVFWFLSA-N	503.577	2.684	0	40	KFAB	
COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1S(=O)(=O)N1CCCCC1	38772746	HBIFBFXGELACKC-KRWDZBQOSA-N	527.690	2.971	0	40	KFAB	
Cc1ccc(SCC(=O)N(C)CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)c(C)c1	40457489	ZNJRJHQHYREOQZ-UHFFFAOYSA-N	503.669	2.631	0	40	KFAB	
COc1ccc(C(=O)N[C@H](CCSC)C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1	103038291	UZJLOESCRPMSHN-QGZVFWFLSA-N	532.109	2.795	0	40	KFAB	
C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](OC(=O)CCC(=O)O)CC[C@]34COC(=O)CCC(=O)O)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1	118920534	PORLQGCIBQPFNX-CRTQTOOQSA-N	606.665	2.523	0	40	KFAB	
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccccc4)CC3)cc2)n1	216465614	MIPBIUJCUBPACX-UHFFFAOYSA-N	529.644	2.766	0	40	KFAB	
CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O	223474568	KGNYAEZLRCGZGO-FQEVSTJZSA-N	510.454	2.811	0	40	KFAB	
CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C	225030015	KDFGLGYRDDYYJR-NRFANRHFSA-N	518.680	2.868	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O	225480575	MGNCKPZKJNSING-AWEZNQCLSA-N	500.390	2.518	0	40	KFAB	
COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)Nc2cccc(-c3nc(C)cc(=O)[nH]3)c2)CC1	226048163	GQKCWDVAZZMZIW-UHFFFAOYSA-N	500.552	2.932	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3C[C@@H](C(=O)OC)Oc4ccccc43)C2)cc1C	260734296	HODPYWLCPCQJTB-MBSDFSHPSA-N	502.589	2.762	0	40	KFAB	
COc1cccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C4/C(=O)Nc5ccc(C)cc54)c(=O)n32)c1	409117248	XDZKYPVVVHCXLT-MOBKVPTQSA-N	503.580	2.826	0	40	KFAB	
COC(=O)COc1ccc(Br)cc1/C=C1/NC(=O)N(CC(=O)Nc2ccccc2F)C1=O	409209342	DQMNGNFTKMHRQZ-CXUHLZMHSA-N	506.284	2.671	0	40	KFAB	
COCC(=O)N1CCN(Cc2cccc(OCCn3ccnc3C)c2)C[C@](O)(COc2ccc(C)cc2)C1	585274791	OAYGILOYTUEEAV-GDLZYMKVSA-N	522.646	2.680	0	40	KFAB	
O=C(c1ccc2c(c1)Cc1cccc(c1)CN(Cc1ccccn1)CCOCCO2)N1CCN(CCO)CC1	643580033	JALKJTLGDHHOFA-UHFFFAOYSA-N	530.669	2.834	0	40	KFAB	
O=C(COC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)NCCc1ccc(F)cc1	3338633	BZTCPEVZPLVXFW-UHFFFAOYSA-N	514.531	2.913	0	40	KFAB	
CCCC1=C(C(=O)OCC)[C@H](c2cccc(OC)c2)n2c(s/c(=C/c3ccc(N4CCN(C)CC4)o3)c2=O)=N1	8399868	VOSGGONBXPHLKF-GRVBVBMHSA-N	550.681	2.932	0	40	KFAB	
CC(=O)OCC(=O)[C@H]1CC[C@]2(O)[C@@H]3CC[C@]4(OC(C)=O)C[C@@H](OC(C)=O)CC[C@]4(C(=O)O)[C@H]3CC[C@]12C	8951959	GADAHPHEPRHMOO-FPNNPWCWSA-N	522.591	2.575	0	40	KFAB	biogenic
COc1ccc([C@H](CNC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)N2CCOCC2)cc1	12552861	SRGZFSDZZKAZLG-DQEYMECFSA-N	503.665	2.886	0	40	KFAB	
O=c1[nH]c2ccccc2n1CCCSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)o1	13163482	SWFHJNSJVFSXKT-UHFFFAOYSA-N	501.590	2.583	0	40	KFAB	
CCC(C)(C)n1nnnc1[C@H](c1cc2ccc(OC)cc2[nH]c1=O)N1CCN(C(=O)c2ccco2)CC1	20080186	VOTWBMVCTKICCN-QFIPXVFZSA-N	505.579	2.809	0	40	KFAB	
Cc1c(N(C)S(=O)(=O)c2cc(C(=O)NC[C@@H]3CCCO3)ccc2Cl)c(=O)n(-c2ccccc2)n1C	23080624	WNSADOBEMSJIHN-IBGZPJMESA-N	519.023	2.872	0	40	KFAB	
O=C(CSc1nc(SCC(=O)NCc2ccco2)nc(SCC(=O)NCc2ccco2)n1)NCc1ccco1	28875347	VVPTXZBEGQXJSJ-UHFFFAOYSA-N	588.693	2.876	0	40	KFAB	
COc1cc2c(cc1OC)C(C[C@H]1CN(S(=O)(=O)c3c(C)noc3C)CC[C@H]1CC(=O)O)=NCC2	49590441	BKMOKHTZAXSKSW-WMZOPIPTSA-N	505.593	2.846	0	40	KFAB	biogenic,in-vitro
Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1	95604028	DZMUAEQPSMMWRA-UHFFFAOYSA-N	531.631	2.759	0	40	KFAB	
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)/N=c3/sc4cccc(F)c4n3C)cc2)CC1	100823747	JEBRRCKJFCCDKA-DARPEHSRSA-N	506.581	2.583	0	40	KFAB	
C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](OC(=O)CCC(=O)O)CC[C@]34COC(=O)CCC(=O)O)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1	118920533	PORLQGCIBQPFNX-HKTJDAGRSA-N	606.665	2.523	0	40	KFAB	
COc1cc(NC(=O)[C@H](CCSC)NC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc(OC)c1	136564047	KDERFFSXHGPMLQ-FVJLSDCUSA-N	500.621	2.755	0	40	KFAB	
CSc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1NC(C)=O	224423175	LGZYBLPMZPQUOJ-UHFFFAOYSA-N	527.690	2.899	0	40	KFAB	
Cc1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1NS(=O)(=O)c1ccccc1	224459358	QZDNGKCPFQJEGU-UHFFFAOYSA-N	559.666	2.626	0	40	KFAB	
CCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	225378273	QJDXSBWUVVTUDH-OAQYLSRUSA-N	519.620	2.524	0	40	KFAB	
CS(=O)(=O)N[C@H](CC(=O)N1C[C@@H](C(=O)NCc2ccccc2)Oc2ccccc21)c1ccc(F)cc1	225943607	JEJPQPICXBVDLU-QPPBQGQZSA-N	511.575	2.917	0	40	KFAB	
Cc1cc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NCCN4CCOCC4)CC3=O)cc2)ccc1Br	408583093	YUHHIMIBYBQSEM-IBGZPJMESA-N	559.461	2.576	0	40	KFAB	
COc1cc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)NCc2ccccc2)ccc1OC(C)=O	409386507	LYIVKENNBQRACE-SVBPBHIXSA-N	623.567	2.706	0	40	KFAB	
O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(NS(=O)(=O)c2cc(Br)ccc2Br)cc1	575424071	RQQJJMQUUAPJLH-CQSZACIVSA-N	552.266	2.929	0	40	KFAB	
COCC(=O)N1CCN(Cc2cccc(OCCn3cc(C)cn3)c2)C[C@](O)(COc2cc(F)cc(F)c2)C1	585275043	UTXIAEQYRWRMCZ-MUUNZHRXSA-N	544.599	2.649	0	40	KFAB	
O=C(CNS(=O)(=O)c1ccc2c(c1)OCCO2)N1CCC2(CCCCCc3ccccc3OCCNC2=O)CC1	643559498	LQYPZYFOTXAHRF-UHFFFAOYSA-N	571.696	2.657	0	40	KFAB	
COc1ccc(-c2coc3cc(OCCOCC(=O)OCCOCC(=O)O)ccc3c2=O)cc1OC	2060993713	AIAJJIVGBQWGNY-UHFFFAOYSA-N	502.472	2.517	0	40	KFAB	
Cc1ccccc1CCN(C(=O)CN1C(=O)c2ccccc2S1(=O)=O)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccncc1	8686877	JIVNFXQYTYXBKT-RBJSKKJNSA-N	576.675	2.642	0	40	KFAB	
NS(=O)(=O)c1ccc(NC(=S)N[C@H](NC(=O)COc2ccccc2)C(Cl)(Cl)Cl)cc1	27023968	ZTOQTWPHNALUOE-HNNXBMFYSA-N	511.840	2.512	0	40	KFAB	
COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2)cc1OC	38145022	XZPIMYRDIIIFGA-WZONZLPQSA-N	553.641	2.833	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC(C)=O)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	59418457	MWFIYAMLOZZZJC-MFUBYVTQSA-N	522.579	2.741	0	40	KFAB	
Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1	59852029	QZBHFIFWWAMULY-UHFFFAOYSA-N	557.694	2.953	0	40	KFAB	
COc1ccccc1C[C@]1(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)C(=O)NC(=O)N(Cc2ccccc2)C1=O	70669802	HYQPARXNRKQMOW-WJFIMHFKSA-N	540.620	2.784	0	40	KFAB	biogenic
Cn1c(N)c(C(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2cccs2)CC3)c(=O)n(C)c1=O	103083198	NHCDLMVJZWAGDI-OWBHPGMISA-N	502.552	2.802	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O	223449683	KNPPXWYAOCUELB-LJQANCHMSA-N	517.648	2.997	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cccc(I)c1	224963673	NBORZWSQLACGCX-UHFFFAOYSA-N	502.330	2.573	0	40	KFAB	
CC(=O)c1cccc(N2C(=O)[C@@H]3[C@H](C(=O)Nc4cc(C)on4)[C@@]4(C)C=C[C@@]3(O4)[C@H]2C(=O)NC(C)(C)C)c1	245229912	IIOSDNZJVAGURR-MGHDIQEJSA-N	506.559	2.784	0	40	KFAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)n(C)c(=O)n4C)c(=O)n2[C@@H]1c1ccc(Cl)cc1	409105270	LXVYKFILEMXZMA-WLGHQHAYSA-N	550.084	2.947	0	40	KFAB	
Cc1cc(C)c(S(=O)(=O)NCCN([C@H]2CCS(=O)(=O)C2)S(=O)(=O)c2cc(C)c(C)cc2C)cc1C	575424567	UAYXWZDHCJRQHT-QFIPXVFZSA-N	542.745	2.693	0	40	KFAB	
COc1cc(CN2CCN(C(C)=O)C[C@](O)(COc3ccccc3)C2)ccc1OCCCN1CCCC1=O	585281483	JSJLLMWUJYIDLB-LJAQVGFWSA-N	525.646	2.561	0	40	KFAB	
O=C(C[C@@]1(COc2cccc(Cl)c2)CN(C(=O)c2ccc3c(c2)OCO3)CCO1)N1CCOCC1	585287382	VTYBMWJDVQBCAJ-VWLOTQADSA-N	502.951	2.608	0	40	KFAB	
Cc1ccc2c(c1)OCCCNC(=O)C1(CCCCNC2=O)CCN(C(=O)[C@@H](N)Cc2ccc(O)cc2)CC1	2037883882	APQLVHPIBHHOAM-VWLOTQADSA-N	536.673	2.678	0	40	KFAB	
COc1ccc(CCNC(=S)N(CCN2CCOCC2)Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)cc1OC	6240112	MGLCYKPXIQMRCJ-UHFFFAOYSA-N	570.712	2.814	0	40	KFAB	
COc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)o2)c(OC)c1	9412820	YTDWMLBHSXUVAI-HUUCEWRRSA-N	502.549	2.804	0	40	KFAB	
CCCN(C(=O)CSc1nc(-c2ccc(C)cc2)n[nH]1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	12903989	JTRLANJSJRSBHF-UHFFFAOYSA-N	505.604	2.796	0	40	KFAB	
COc1cccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)c1	13565611	QJVUMYXGRXDXPO-OAQYLSRUSA-N	527.565	2.731	0	40	KFAB	
CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(OC(F)F)cc3)C2=O)cc1	14094704	LLTBFWFGRPVKQP-HSZRJFAPSA-N	524.546	2.724	0	40	KFAB	
CCCCNC1=C(C(=O)N2CCOCC2)C(=N)[C@H](C(=O)Nc2sc3c(c2C(=O)OC)CCC3)S1	18036935	MFPFENXUYSJMDR-GOSISDBHSA-N	506.650	2.557	0	40	KFAB	
CCOC(=O)N1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(OCC)c(Cl)c2)CC1	22248172	UAFMZIKTBUDTFC-OAQYLSRUSA-N	524.039	2.929	0	40	KFAB	
CC(C)CN(C(=O)CN(C)C(=O)Cc1ccc(Cl)cc1Cl)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	32972007	PRDFAACUYHQHNM-UHFFFAOYSA-N	512.438	2.772	0	40	KFAB	
CC(C)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	38142054	PBUNVLRHZGSROC-OVFLYZFFSA-N	577.726	2.521	0	40	KFAB	
CNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	223437007	ASPQECPTUOJDSB-HHHXNRCGSA-N	555.628	2.742	0	40	KFAB	
COCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	223506973	LBMQGAWXGBNDOD-PMERELPUSA-N	611.717	2.628	0	40	KFAB	
COc1cccc(OC)c1C(=O)NN1C[C@H](C(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)CC1=O	408663545	AGDGMUDPJXDPRX-GFCCVEGCSA-N	510.330	2.686	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)OCO4)c(=O)n2[C@@H]1c1cccc(OC)c1OCC	408912878	RUGHVWIHKKWEML-FJWZAKCXSA-N	522.579	2.934	0	40	KFAB	
CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccc(OC)c2OCC)C(C(=O)OCCOC)=C(C)N=3)cc(I)c1OCC(N)=O	408974542	ZOTVEZIZCDQVOR-RJFKIUDMSA-N	751.596	2.700	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(F)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409032219	LSIBCGCQLWODHF-AOLPSBPOSA-N	554.596	2.888	0	40	KFAB	
Cc1noc(C)c1S(=O)(=O)NCc1noc([C@@H]2CCC(=O)N2Cc2ccc(OC(F)(F)F)cc2)n1	1775963764	BQGGYVVMNGPJGX-HNNXBMFYSA-N	515.470	2.915	0	40	KFAB	biogenic,in-vitro
CCOC(=O)C1=C(N)n2c(s/c(=C\c3ccccc3Cl)c2=O)=C(C(=O)OC)[C@H]1c1ccccc1Cl	2263246	LESYMUNRTNKHTN-FSEPTYSPSA-N	531.417	2.857	0	40	KFAB	
O=C(OCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)[C@@H]1CS[C@@]2(c3cccs3)CCC(=O)N12	3357539	VVMNCROBYUXVAA-WXVAWEFUSA-N	585.729	2.868	0	40	KFAB	
CCOCCCN(C(=O)Cn1nnc(-c2ccc(C)o2)n1)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccc(F)cc1	6600138	SENVQAZNIJMONJ-ZJSXRUAMSA-N	528.585	2.672	0	40	KFAB	
CC(=O)N[C@@H](CC(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C)c1ccccc1	12529232	SICZAAHXMPTKOJ-QHCPKHFHSA-N	501.605	2.919	0	40	KFAB	
CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)[C@@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1	12857604	KYXSSOMHPMLFJU-HXUWFJFHSA-N	510.591	2.540	0	40	KFAB	
O=c1[nH]c2cc3c(cc2cc1CN(CCc1ccccc1)C(=S)NCCCN1CCOCC1)OCCO3	20081389	FYNUGRXGFNTUNW-UHFFFAOYSA-N	522.671	2.941	0	40	KFAB	
COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H](CC(N)=O)N[C@]12C(=O)Nc1ccc(Br)cc12	35877624	QXHHTWPQPJNDRS-YLGBZRSBSA-N	507.772	2.751	0	40	KFAB	biogenic
CC(C)[C@H]1OC(=O)/C=C\C=C/C=C\C=C/C=C\C[C@@H](O)[C@@H](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	100134855	GBVIQYQFMPWELT-UVWPZJOISA-N	650.850	2.795	0	40	KFAB	in-vitro
CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	222855424	VQBGRGAUPJMUFX-SANMLTNESA-N	569.680	2.865	0	40	KFAB	
CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	223167580	JDMRDYDQSRPKRF-IBGZPJMESA-N	512.028	2.677	0	40	KFAB	
COc1ccc(OC)c(N(CC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)c1	224206632	MUUSYDHNMHEYGH-UHFFFAOYSA-N	591.708	2.653	0	40	KFAB	
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)NCc1ccc(CN2CCOCC2)cc1	224554988	MTDKAKFYJXHASP-UHFFFAOYSA-N	555.628	2.941	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O	225411349	WSHIGAJKPCAQHW-MOPGFXCFSA-N	515.632	2.952	0	40	KFAB	
Cc1ccc(CN(C(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCC2)cc1	260792342	OBAWXVNESBOSAD-LJQANCHMSA-N	515.632	2.966	0	40	KFAB	
CC(=O)N1CCCN(CC(C)C)CCN(C(=O)c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)Cc2ccccc21	643561178	ANXXIMBRCZQUDX-UHFFFAOYSA-N	569.772	2.980	0	40	KFAB	
O=C1NC2(CCOc3cc(C4CCOCC4)ccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(Cc1cccc(F)c1)CC2	1548891167	YHVVNDLOMGGXQO-FTJBHMTQSA-N	587.714	2.777	0	40	KFAB	
C[C@@H]1N[C@]2(C(=O)N(CC(=O)N3CCc4ccccc43)c3ccccc32)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12	15320379	MWJXSRGNDPKFQC-SFCTUALJSA-N	506.562	2.615	0	40	KFAB	
COC(=O)c1ccccc1NC(=O)N1CCC[C@@H](O)[C@H](NC(=O)c2ccc(OCCN3CCCC3)cc2)C1	15672142	VTAMDAVELQSEQX-JWQCQUIFSA-N	524.618	2.735	0	40	KFAB	biogenic,in-vitro
CN(c1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2)c1)S(C)(=O)=O	44839120	YHAYCIKKNIRULE-UHFFFAOYSA-N	500.042	2.916	0	40	KFAB	
CCOC(=O)c1ccccc1NC(=O)CSc1ncc(S(=O)(=O)c2ccc(OCC)cc2)c(=O)[nH]1	46016448	KHTXTFZXVUOELA-UHFFFAOYSA-N	517.585	2.909	0	40	KFAB	
COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1	59852367	QXCUNKCKYZXBJU-UHFFFAOYSA-N	537.704	2.995	0	40	KFAB	
COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1	59929653	GBLMWNDPYCSREJ-XMMPIXPASA-N	551.665	2.966	0	40	KFAB	
C[C@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)Oc1ccc2c(=O)c(Oc3ccccc3F)coc2c1	70686922	KAJXKVSHZGIIGG-KSFYIVLOSA-N	563.538	2.526	0	40	KFAB	biogenic
CCCCCn1c(S[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2NC(C)=O)nnc1-c1ccccc1	70712104	JESOEUQUEIIHTN-YLLXKFEGSA-N	576.672	2.884	0	40	KFAB	biogenic
COC(=O)c1ccc(S(=O)(=O)N2CCC(c3nc(O)c4nnn(Cc5ccccc5Cl)c4n3)CC2)cc1	100467240	HMFZBUPESJAQAN-UHFFFAOYSA-N	543.005	2.984	0	40	KFAB	
Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@@]1(CC(O)=N2)C(=O)N(CC(=O)NCc2cccs2)c2ccccc21	101408055	XAPJLQCYJVXXMP-SANMLTNESA-N	539.581	2.849	0	40	KFAB	
Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@@H](c1ccc(C(=O)NCc3ccc4c(c3)OCO4)cc1)CC(=O)N2	101731214	MGNDNBVMMCDDSG-GOSISDBHSA-N	522.525	2.980	0	40	KFAB	
CCOC(=O)C1=c2s/c(=C/c3cccs3)c(=O)n2C(N)=C(S(=O)(=O)c2ccccc2)[C@H]1c1cccs1	102649862	DVIYNFDFQYZXNO-ZSFFSCSXSA-N	556.712	2.932	0	40	KFAB	
Cc1ccc(S(=O)(=O)NCCNC(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1	222700865	APDGQLKPWSALNJ-UHFFFAOYSA-N	538.047	2.923	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O	222798694	QEBNHTNZRSUXSE-CQSZACIVSA-N	502.420	2.931	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	225393120	BWSALSZQZKZOOG-RTBURBONSA-N	535.663	2.810	0	40	KFAB	
Cc1ccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NCCCN4CCOCC4)CC3=O)cc2)cc1C	408582488	WSGDAOFKYAGGCH-QFIPXVFZSA-N	508.619	2.512	0	40	KFAB	
COC(=O)c1c(NS(=O)(=O)c2ccc(OC)c(I)c2)sc2c1CCN(C)C2	408606611	LBVUMKJJZMXTMI-UHFFFAOYSA-N	522.386	2.937	0	40	KFAB	
COc1ccc(OC)c(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1	408685233	KZYPJIWYICBABS-WDYMBFKSSA-N	506.555	2.828	0	40	KFAB	
CCOc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)ccc1OCC(=O)OC	409041863	VYQSDPBPMIABKK-GMPUOFRTSA-N	536.606	2.749	0	40	KFAB	
CCCC1=C(C(=O)OCC)[C@@H](c2ccc3c(c2)OCO3)n2c(s/c(=C3\C(=O)Nc4ccc(C)cc43)c2=O)=N1	409118666	OYAUMAIGMJERDY-KXNAUXDSSA-N	531.590	2.938	0	40	KFAB	
CCOc1ccc(CCCNC(=O)[C@@H]2CC(=O)N[C@@H]([C@@H](C)CC)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1OC	643566594	TYCXPHQVEHXVGD-OYYXRSNLSA-N	596.725	2.713	0	40	KFAB	
COc1ccc(C(=O)N2CCCCC3(CCN(Cc4ccccc4)CC3)C(=O)OC[C@@H](O)[C@@H](O)CC2)cn1	643578588	ZGBDCRCWSWILCN-LOSJGSFVSA-N	525.646	2.654	0	40	KFAB	
Cc1ccccc1OCCN(C)C(=O)[C@@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)CCOc2ccccc2C(=O)N1	643578697	GEVRPUSGJBVWRN-SVBPBHIXSA-N	586.689	2.599	0	40	KFAB	
O=c1cc(CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)nc2scc(-c3ccccc3)n12	3344744	IPMPLIYSKZHGJI-UHFFFAOYSA-N	524.624	2.701	0	40	KFAB	
CCOC(=O)C[C@]1(O)Oc2cc3c(cc2[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@H]1C(=O)OCC)OCO3	5664471	MTMPILBIFFMRTK-UMFSSWHCSA-N	518.515	2.787	0	40	KFAB	
COCCn1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(c2cc(Cl)ccc2C)CC1	6280621	VPWCPUBFNAEHSL-DEOSSOPVSA-N	538.008	2.763	0	40	KFAB	
CCOC(=O)N1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(OC)c(Cl)c2)CC1	22246788	YDBNQAORUIPFTL-HXUWFJFHSA-N	510.012	2.539	0	40	KFAB	
CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NCc1cccc(CN3CCOCC3)c1)O2	38831929	SPLGPTCRNDGBHP-XMMPIXPASA-N	501.649	2.660	0	40	KFAB	
COC(=O)[C@]1(C)[C@@H](OC(C)=O)C[C@H](OC(C)=O)[C@]2(C)c3c(O)cc(C(C)C)cc3[C@@H](O)[C@@H](OC(C)=O)[C@@H]12	72320270	CDYGRHOHQUXDMN-FDAPDPCVSA-N	520.575	2.815	0	40	KFAB	biogenic,in-vitro
COc1cc(NC(=O)COC(=O)COc2ccc(I)cc2)cc(OC)c1OC	72331027	WONMBDDFPRTIMG-UHFFFAOYSA-N	501.273	2.878	0	40	KFAB	
COc1ccc(-c2nc3s/c(=C4\C(=O)N(CC(N)=O)c5ccccc54)c(=O)n3c2-c2ccc(OC)cc2)cc1	97947591	SANKXCDMCXRDHA-RWEWTDSWSA-N	538.585	2.857	0	40	KFAB	
O=C(COC(=O)Cc1ccc(-c2ccccc2)cc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1	103112525	MGBDMTOVWGHAFR-UHFFFAOYSA-N	579.675	2.936	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O	222519248	ZMNFTHFLJVOZBS-INIZCTEOSA-N	510.012	2.778	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	222668045	APIJYFHTRHEXJU-CQSZACIVSA-N	519.426	2.909	0	40	KFAB	
Cc1cccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)S(=O)(=O)c2ccccc2)c1	224201967	SEAANQYREHRQMB-UHFFFAOYSA-N	531.656	2.636	0	40	KFAB	
COc1ccc(N(CC(=O)NCCSc2ncn[nH]2)S(=O)(=O)c2cc(C)ccc2OC)cc1Cl	226057454	CCSRFMPEKFPGFD-UHFFFAOYSA-N	526.040	2.888	0	40	KFAB	
COc1ccc(C(=O)N2[C@H](CC(=O)N3CCN(Cc4ccccc4)CC3)C(=O)N[C@@H]3CCCC[C@H]32)cc1	250567669	CNSVAGWINDSHCL-TWJOJJKGSA-N	504.631	2.682	0	40	KFAB	
CCn1c(=O)n(CC)c2cc(NC(=O)CSc3nc(=Nc4ccccc4)nc(N4CCOCC4)[nH]3)ccc21	408543848	RVFACMRQVILVJK-UHFFFAOYSA-N	534.646	2.761	0	40	KFAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)OCCO4)c(=O)n2[C@@H]1c1ccccc1OC	409099628	RMWFBMXFFJCFIS-OWXSRONMSA-N	519.623	2.883	0	40	KFAB	
CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)ccc1OCC(=O)N1CCOCC1	409270747	ABQFNBAESYDUMV-JCMHNJIXSA-N	531.631	2.618	0	40	KFAB	
CC(C)C[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)CC(=O)N[C@@H](C)C(=O)N1	643565583	JYSQHSLSUNIHRY-CVJWPJSTSA-N	596.700	2.607	0	40	KFAB	
O=C(N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccco1)c1ccc(Cl)cc1Cl	2594198	SPMSQIMLZOOLPG-SFHVURJKSA-N	503.220	2.624	0	40	KFAB	
CCOC(=O)CNC(=O)CN(C(=O)[C@H](C)Sc1nnc(-c2ccccc2)n1C)c1ccc(OC)cc1	6546513	INWWBLNRTIXXBI-KRWDZBQOSA-N	511.604	2.684	0	40	KFAB	
CCOc1ccc([C@H](C(=O)NCCC(C)C)N(CCCO)C(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1	6601643	VCGRIRJGQLBYAP-RUZDIDTESA-N	526.613	2.993	0	40	KFAB	
COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CCN(C(=O)c4ccco4)CC3)cc2c1	19940653	JFQHXUREGWOMAW-VWLOTQADSA-N	525.569	2.712	0	40	KFAB	
COc1cc(Cc2ccc(NC(=O)CSc3nc(N)cc(N)n3)c(OC)c2)ccc1NC(=O)CSc1nc(N)cc(N)n1	59211901	ZYZKLEQQUCEEQL-UHFFFAOYSA-N	622.737	2.665	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1	100073940	ZMYZTAZYGBFAKK-UHFFFAOYSA-N	535.688	2.571	0	40	KFAB	
CC(C)(C)N(CC(=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1)CC(=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1	102771257	VRNMEBIAOPQFOM-JWQCQUIFSA-N	575.753	2.528	0	40	KFAB	
COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1I	216440679	LZKVZLXBFPRURV-UHFFFAOYSA-N	560.395	3.000	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O	222862767	QGVAUCSKYUCTAF-VWLOTQADSA-N	539.654	2.856	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C	223014945	DCUNSZMPPRKQJC-QGZVFWFLSA-N	525.469	2.615	0	40	KFAB	
COc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)c(OC)c1	225483615	WKZZUUAJALSQNP-IBGZPJMESA-N	505.637	2.720	0	40	KFAB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(I)c(OCC(=O)N4CCOCC4)c(I)c3)C2=O)o1	409403166	ZAEVUVWVIIDRGO-YVLHZVERSA-N	721.242	2.606	0	40	KFAB	
CO[C@@H]1CN(C(C)=O)C[C@@H](CC(C)C)N(C(=O)Cc2ccc(Cl)cc2)CCCCOC[C@@H](O)[C@H]1O	643586359	UXOJDQKAIAWCCH-PMHJDTQVSA-N	513.075	2.522	0	40	KFAB	
COC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc2c(c1)C1(OC2=O)c2ccc(O)cc2Oc2cc(O)ccc21)C(C)C)C(=O)CF	1350724139	MQKJXHFMXDJWAX-CAEISEKASA-N	854.841	2.945	0	40	KFAB	
COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(OC)c(OC)c2)cc1	6973673	FEUYRAZTRCSQPR-JPYJTQIMSA-N	569.640	2.533	0	40	KFAB	
CCOC(=O)N1CCc2c(sc(NC(=O)CCCS(=O)(=O)c3ccc(OC)cc3)c2C(N)=O)C1	10218737	WBFDXGWZPOLAQC-UHFFFAOYSA-N	509.606	2.563	0	40	KFAB	
C[C@@H](C(=O)NC(C)(C)C)N(C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1ccc(F)cc1	12708976	WZYMUCAFZFVYKZ-HXQCJVTRSA-N	505.568	2.578	0	40	KFAB	
Cc1c(NC(=O)[C@H](C)OC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccco2)c(=O)n(-c2ccccc2)n1C	13063645	XVJFUMFDBPPRGU-SIKLNZKXSA-N	516.554	2.989	0	40	KFAB	
Cc1c(Cl)ccc2c1NC(=O)[C@]21N[C@@H](Cc2ccccc2)[C@H]2C(=O)N(c3ccc(C(N)=O)cc3)C(=O)[C@H]21	15959053	NQXYXVAEXIDYNG-QBMQIYCRSA-N	514.969	2.915	0	40	KFAB	biogenic
COc1cc(C(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)ccc1OCC(C)C	24764198	JFCXQVRSPMJTAF-UHFFFAOYSA-N	520.604	2.855	0	40	KFAB	
O=C1C[C@@H](N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)C(=O)N1c1cccc(Cl)c1	25287021	YLSCQVDSWMSZOQ-QGZVFWFLSA-N	501.914	2.997	0	40	KFAB	
Cc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc3c(c2)OCCO3)cc1	38145865	LEEGEPYAIONGQW-WZONZLPQSA-N	551.625	2.587	0	40	KFAB	
COCCN(C(=O)CN1CCC[C@H]1c1nc2ccccc2s1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	97981557	GVEPFOYGKRATSQ-FQEVSTJZSA-N	534.642	2.593	0	40	KFAB	
C[C@@H](OC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	102975725	AEOKJLZDPMDDOE-QGZVFWFLSA-N	579.678	2.754	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccc(C)cc2)cc1OC	103895180	FWSCQNKLGLTFDR-UHFFFAOYSA-N	589.692	2.867	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	222548361	WJGOSBPWDUSVAJ-PGRDOPGGSA-N	515.632	2.952	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	223255218	QXGBCTWFRHKUHV-SFHVURJKSA-N	523.627	2.943	0	40	KFAB	
COc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1I	224379019	WHHGWYQACYFAPJ-UHFFFAOYSA-N	580.466	2.832	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	260986115	OZIYSJRPHXYXPB-PMACEKPBSA-N	517.648	2.946	0	40	KFAB	
Cc1nnc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C(=O)OCC(=O)c3ccccc3)cc2)s1	408676765	ABTQQIPMIDVRCX-UHFFFAOYSA-N	510.528	2.787	0	40	KFAB	
O=C1C[C@@H](C(=O)NCCCN2CCCCCC2)NC(=O)c2ccccc2OC[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N1	643567278	XOZOQGNBYBQPJR-FGUUHEIUSA-N	603.764	2.668	0	40	KFAB	
COCCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C)c4ccccc43)c(=O)n2[C@@H]1c1ccc(OC(=O)c2ccco2)cc1	1821241	MCXKWGGAXPWJRK-ZCCPQQFYSA-N	599.621	2.584	0	40	KFAB	
COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCC2)c2ccco2)c(OC)c1	6924540	LHTTVZBDMCPRMO-FQEVSTJZSA-N	513.576	2.881	0	40	KFAB	
COc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1	9343142	YHFXLFYYPLMOHJ-UHFFFAOYSA-N	517.629	2.523	0	40	KFAB	
CCOc1cc(CNCCSc2nnnn2-c2ccccc2)cc(Br)c1OCC(N)=O	22107907	LRMPTSAFMIAZRJ-UHFFFAOYSA-N	507.414	2.570	0	40	KFAB	
COC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3Cl)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1	34942164	KYYVKCPDBFJTFO-PZDOZLBDSA-N	512.971	2.996	0	40	KFAB	
CN1C(=O)C(Cc2ccc3c4c(cccc24)CC3)(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)C(=O)N(C)C1=S	70671675	NOCXDRBBNGETSX-XXBNENTESA-N	540.689	2.964	0	40	KFAB	biogenic
CC(C)(CO)c1ccc(S(=O)(=O)Nc2nc(-c3ncccn3)nc(OCCO)c2Oc2ccccc2O)cc1	72131389	JXXCMZWROOURSZ-UHFFFAOYSA-N	553.597	2.873	0	40	KFAB	in-vitro
COc1cccc(C[C@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1OC	100468834	WSYWZPASRZWNOI-VWLOTQADSA-N	539.654	2.874	0	40	KFAB	
COCCn1/c(=N/C(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)sc2cc(S(N)(=O)=O)ccc21	100873004	MEIUGDPOSZKEQO-LCUIJRPUSA-N	560.679	2.847	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223915345	XOJOXJWRZFDWMG-QGZVFWFLSA-N	568.490	2.930	0	40	KFAB	
CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C	224543014	AHLPLZSOMIEJEZ-HSZRJFAPSA-N	518.680	2.868	0	40	KFAB	
Cc1ccc2nccc(N3CC[C@](O)(CN(C)C(=O)c4ccc(OCCN5CCCC5=O)cc4)C3)c2n1	257323593	WLAGUOBQJFERDX-NDEPHWFRSA-N	503.603	2.653	0	40	KFAB	
CN1CCN(C(=O)C[C@H]2CN(C(=O)CN3CCCCCC3=O)CC[C@@H]2Oc2cccc(Cl)c2)CC1	257342729	ZPXCVKCOSKKOAN-REWPJTCUSA-N	505.059	2.503	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	261049390	ZTCIOSCRTMIYHY-ROUUACIJSA-N	521.611	2.695	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(=O)O)cc3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	408833386	UVATUUFMGADFOB-AFHVAHMMSA-N	508.552	2.514	0	40	KFAB	
CC(C)=CCC[C@]1(C)Oc2cc3c(c4c2[C@@H]2[C@H](O4)[C@](O)(CO)CC[C@H]21)CN([C@@H](CCC(=O)O)C(=O)O)C3=O	1772591714	LYIIXCDZJCVBSC-YSCCDDMRSA-N	529.586	2.836	0	40	KFAB	
O=C1N[C@H]2CCN(C(=O)Cc3cccnc3)C[C@H]2CC=CCC2(CCOCC2)C(=O)N[C@@H]1Cc1ccccc1	2037885007	PBUBTRDJZDUOTB-KWXIBIRDSA-N	530.669	2.832	0	40	KFAB	
COc1cc(Cl)c(C)cc1NC(=O)COC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@@H](C)O	3295099	UIMRCKISAWGKSR-BLVKFPJESA-N	505.376	2.520	0	40	KFAB	
CC(C)(C)OC(=O)N1[C@@H]2ON(C(=O)OCc3ccccc3)[C@H]([C@@H]3[C@H](NC(=O)Cc4ccccc4)C(=O)N31)[C@H]1OC(C)(C)O[C@H]12	8439377	YHPVQRNEIJZYRI-CYGXJMRPSA-N	608.648	2.889	0	40	KFAB	
CCOC(=O)N1CCN(C(=O)CSCC(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)CC1	9412498	KDMBIMWCRIBZTG-UHFFFAOYSA-N	506.606	2.554	0	40	KFAB	
CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)NC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1	13565728	BDECLSXBTWCRPS-OAQYLSRUSA-N	515.529	2.861	0	40	KFAB	
CCN(CC)C(=O)CN1C(=O)[C@@]2(N[C@@H](CC(C)C)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)c2ccccc21	19848808	HNCICGFNJFYBRP-HVSOMOSWSA-N	516.642	2.916	0	40	KFAB	
COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2c[nH]c3ccccc23)c1	38145174	PIRNECKNMJAWMT-HXOBKFHXSA-N	548.625	2.997	0	40	KFAB	
COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)C2)c1	59838709	NBCAXCVUHNVDRF-OAQYLSRUSA-N	565.714	2.596	0	40	KFAB	
CC(C)(c1ccc(OC(=O)N[C@H]2CCS(=O)(=O)C2)cc1)c1ccc(OC(=O)N[C@H]2CCS(=O)(=O)C2)cc1	102557685	QICXMZFJKBFXOW-PMACEKPBSA-N	550.655	2.564	0	40	KFAB	
COc1ccc(C)cc1N(CC(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)S(=O)(=O)c1ccc(C)cc1	224207139	KOVGWZNSAAHPQP-UHFFFAOYSA-N	575.709	2.953	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)NCc1ccc(CN2CCOCC2)cc1	224587507	ACFDSPWEWSKVES-UHFFFAOYSA-N	515.676	2.951	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O	225363034	YNJJQJKIBYNNTJ-RTBURBONSA-N	505.637	2.802	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	225373108	IRVQORWFKSSMNY-RBUKOAKNSA-N	522.643	2.779	0	40	KFAB	
COc1ccc(CN2CCO[C@](COc3ccc(Cl)cc3)(CC(=O)N3CCOCC3)C2)cc1CO	257201119	AGJMCZIFIPMMOF-AREMUKBSSA-N	505.011	2.740	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(C/C=C/c4ccccc4)CC3)C2)cc1OC	408586906	AADHFSHUCBRVQK-PQCQUMGKSA-N	513.660	2.962	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(CC(=O)N4CCOCC4)c4ccccc34)c(=O)n2[C@H]1c1ccc(OC)cc1	409166408	DGYABNHQJWBDAV-MFISQUFLSA-N	600.697	2.620	0	40	KFAB	
CC(C)[C@H]1COc2ccc(Cl)cc2C(=O)NCCCCN(C(=O)CCc2ccnn2C)CC(=O)N1	643556765	PWODGKJLZCZKBB-OAQYLSRUSA-N	504.031	2.578	0	40	KFAB	
CCC(C)(C)NC(=O)[C@H](c1ccc(F)cc1)N(CCN1CCOCC1)C(=O)Cn1nnc2ccccc21	19499495	YKHZJPMNXZQEPM-VWLOTQADSA-N	510.614	2.777	0	40	KFAB	
COc1ccccc1C(=O)OCCN[C@]1(C(=O)c2ccccc2)C(=O)c2ccccc2S(=O)(=O)N1C	25180049	KAJSJCWZYRBFLQ-SANMLTNESA-N	508.552	2.538	0	40	KFAB	
Cn1c([C@H](C(=O)NC[C@@H]2CCCO2)N(Cc2ccc(F)cc2)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)nc2ccccc21	100378073	MEEMPYVBLJGDCJ-RBISFHTESA-N	619.675	2.922	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(Cc2ccccc2)C[C@H](O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	102929364	SJTHDJDPGZVSQE-DEOSSOPVSA-N	560.694	2.647	0	40	KFAB	
O=C1NC[C@H]2O[C@H](CCOc3ccccc3C(=O)N3CCN(C4CCC(F)(F)CC4)C[C@@H]13)CC[C@H]2n1cc(CN2CCOCC2)nn1	253405519	SNTSUWZLYALKKT-RKDXIHMYSA-N	657.763	2.502	0	40	KFAB	
CN1CCN(C(=O)CC2(COc3cccc(Cl)c3)CCN(C(=O)CN3CCCCCC3=O)CC2)CC1	257215670	CRDUTRWTFASMJD-UHFFFAOYSA-N	519.086	2.894	0	40	KFAB	
CCN(CC(=O)N1C[C@H](C(=O)NCCc2ccccc2)Oc2ccccc21)S(=O)(=O)c1cc(F)ccc1OC	260737144	JZBRNIMSXKZJHK-RUZDIDTESA-N	555.628	2.998	0	40	KFAB	
COc1ccc(OC)c(N(CC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c1	260861131	BLRUJCLNTMOPHA-HXUWFJFHSA-N	519.664	2.968	0	40	KFAB	
COc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCCOc3ccc(S(=O)(=O)N4CCCC4)cc3)Oc3ccc(C)cc32)cc1	260892494	ZCOOZIUIJIOIHZ-MUUNZHRXSA-N	615.730	2.940	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\Nc3cc(C(=O)O)ccc3C)c(=O)n2[C@H]1c1ccc(OC)cc1	408874058	XZCUZNLPGNSHOX-WLJFKGHSSA-N	507.568	2.835	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3OC)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409037235	STWPNJMXBRPENX-ZDZYTSRMSA-N	596.658	2.766	0	40	KFAB	
COC(=O)COc1c(Br)cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1Br	409142520	AHAWUSXFZHDCOA-RIYZIHGNSA-N	578.235	2.659	0	40	KFAB	
O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	409231821	KWMRKWRTFPTZSH-LJQANCHMSA-N	506.024	2.814	0	40	KFAB	
O=C1NC2(CCOc3cc(-c4cccnc4)ccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(C(=O)NCc1ccccc1)CC2	1548889052	FKYCNTVPEDRWFO-FTJBHMTQSA-N	605.717	2.516	0	40	KFAB	
COC(=O)c1cccc(S(=O)(=O)N(Cc2cccnc2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)c1	919436	NXBNCVDHFGTPEW-UHFFFAOYSA-N	521.551	2.872	0	40	KFAB	
COc1ccc(CCN2C(=O)[C@@H]3[C@@H](C(=O)Nc4cc(C)on4)[C@@]4(C)C=C[C@@]3(O4)[C@H]2C(=O)NC(C)(C)C)cc1	1380927	NSDQYXOKVQAGLP-JNJGMWOVSA-N	522.602	2.628	0	40	KFAB	
CCC[C@@H](C(=O)NC1CCCC1)N(CCc1ccc(OC)c(OC)c1)C(=O)c1snc(C(N)=O)c1N	6501022	MTYIEORCZXPUAW-KRWDZBQOSA-N	517.652	2.754	0	40	KFAB	
CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C	12589744	DFIHAYQXRABYBY-UHFFFAOYSA-N	501.952	2.631	0	40	KFAB	
COc1ccc(CCNC(=O)[C@H](Cc2ccccc2)N(Cc2ccccc2)C(=O)CN(C)S(C)(=O)=O)cc1OC	223043131	XKOZIFQUOAQDTE-SANMLTNESA-N	567.708	2.894	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)cc1	224232240	ZUEMLAYLIDZPMM-QGZVFWFLSA-N	578.540	2.981	0	40	KFAB	
COC(=O)[C@]1(CCSC)N[C@H](c2ccc(OC)cc2OC)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21	229996107	MVRMFYUVGCIKMK-IILZIBOQSA-N	542.610	2.590	0	40	KFAB	
COc1ccccc1[C@@H]1c2sc(=O)[nH]c2S[C@@H]2[C@H]3C[C@@H]([C@@H]4C(=O)N(CCCC(=O)O)C(=O)[C@@H]43)[C@H]12	245229434	XVVGVKNGWMLMJP-RWWYKBPASA-N	500.598	2.783	0	40	KFAB	
COc1cccc(OC)c1C(=O)NN1C[C@H](C(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)CC1=O	408654072	JJAKCYABSPKHJB-GFCCVEGCSA-N	510.330	2.686	0	40	KFAB	
CCCN1C[C@H](C)[C@H](O)[C@](C)(O)[C@H](CC)OC(=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]1C	504567001	VWAMTBXLZPEDQO-DJZUTYRHSA-N	777.050	2.681	0	40	KFAB	biogenic
COCC(=O)N1CCN(Cc2cccc(OCCCn3ccnc3)c2)C[C@](O)(COc2ccc(F)c(F)c2)C1	585273905	GBRDGUGOLBXXEH-MUUNZHRXSA-N	544.599	2.731	0	40	KFAB	
COc1ccc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)cc2)c(OC)c1	798837	ZONXKCLHZQQISO-UHFFFAOYSA-N	530.006	2.883	0	40	KFAB	
O=C(COC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)Nc1ncc(C(F)(F)F)cc1Cl	3271423	ZHTSBMMBHZCMOV-UHFFFAOYSA-N	525.864	2.709	0	40	KFAB	
CCOC(=O)C1=C(C)C2[C@@H]3C(=O)N(c4ccc(OC(C)=O)cc4)C(=O)[C@H]3C1(C)[C@H]1C(=O)N(c3ccc(OC(C)=O)cc3)C(=O)[C@H]21	6544880	KZOLWLNXXNOVAL-LEBKEHTDSA-N	614.607	2.978	0	40	KFAB	
Cc1c(C(=O)/N=c2\sn(-c3ccc(Cl)cc3)nc2C(=O)N2CCOCC2)nnn1-c1ccc(F)cc1	8770704	SEULXSPXQCHCFF-ROMGYVFFSA-N	527.969	2.829	0	40	KFAB	
COc1ccc(CCN(CC(=O)NC2CCCC2)C(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1OC	12480320	RVAGIXXMAZJXAR-UHFFFAOYSA-N	510.570	2.627	0	40	KFAB	
COc1ccc(N2C(=O)C[C@@H](N(CCc3ccc(S(N)(=O)=O)cc3)C(=S)Nc3ccccc3)C2=O)cc1	17527784	ZUWMFEDVDMNBBR-HSZRJFAPSA-N	538.651	2.916	0	40	KFAB	
COc1cccc(CN2CCN([C@H](c3cc4cc(C)ccc4[nH]c3=O)c3nnnn3C[C@@H]3CCCO3)CC2)c1	19826234	LNFSFGDSHZOBHL-RPLLCQBOSA-N	529.645	2.918	0	40	KFAB	
COC(=O)[C@]1(CCSC)N[C@H](c2ccc(OC)cc2OC)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21	20150597	WVBQHKKDSUDZBV-UWHHFBIGSA-N	502.564	2.958	0	40	KFAB	
NS(=O)(=O)c1ccc(CNC(=O)COc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)cc1	59851906	WCPFKGDYXVXPKD-UHFFFAOYSA-N	554.444	2.593	0	40	KFAB	
CCCN1CCN(C(=O)c2cn(CCC)nc2S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1	67337637	KSIYSLRWVZQKCF-UHFFFAOYSA-N	523.103	2.625	0	40	KFAB	
Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCNS(=O)(=O)c3ccc(C)cc3)c(C)c2)cc1	222762560	AOHTWYJROBGBRT-UHFFFAOYSA-N	531.656	2.886	0	40	KFAB	
CS(=O)(=O)N(CCCC(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(F)c(F)c1	224412922	JIMULOFNIOANDV-UHFFFAOYSA-N	559.657	2.881	0	40	KFAB	
CCN(CC)C(=O)Cn1cc(/C=C2/C(=O)N(C)C(=S)N2CC(=O)OC)c2cc(Br)ccc21	409127313	PLPRUBKPBWSNOU-NVMNQCDNSA-N	521.437	2.845	0	40	KFAB	
CC(C)[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)N2C[C@H](C)O[C@H](C)C2)CCC(=O)N(Cc2ccccc2)CC(=O)N1	643577104	FRKBWZXAAMQXBO-AYFYORAVSA-N	578.710	2.763	0	40	KFAB	
O=C(COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ncc(Cl)cc1Cl	3318329	MDSHNGULELWHSC-ZZXKWVIFSA-N	500.360	2.604	0	40	KFAB	
COc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2cccnc2)C(=O)c2snc(C(N)=O)c2N)cc1	6156966	DMWPADSKOFJPDA-NRFANRHFSA-N	508.604	2.670	0	40	KFAB	
COc1ccc(C(=O)CSc2ccc3nnc(CCNS(=O)(=O)c4ccc(OC)cc4)n3n2)cc1	9116763	UTIPPKBCKRNZBT-UHFFFAOYSA-N	513.601	2.638	0	40	KFAB	
COC(=O)C1=C(C(=O)c2ccc(Br)cc2)[C@H](c2cc(OC)ccc2OC)n2nnnc2N1	10232014	XMSNRXOXYUXJRN-SFHVURJKSA-N	500.309	2.778	0	40	KFAB	
CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1	33354961	IGTKENAPLZEUSY-HXUWFJFHSA-N	570.071	2.518	0	40	KFAB	
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	59764081	NGMYNFJANBHLKA-TUWJOOMKSA-N	514.527	2.595	0	40	KFAB	biogenic
CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O	223082469	IEOODBIWDKQSDZ-HXUWFJFHSA-N	557.454	2.919	0	40	KFAB	
CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	223758767	SFILICXBLSYRHN-RUZDIDTESA-N	567.664	2.966	0	40	KFAB	
CCOc1ccc(N(CC(=O)NCCSc2ncn[nH]2)S(=O)(=O)c2cc(C)ccc2OC)cc1	226059511	KWUKLTLTVVGSDU-UHFFFAOYSA-N	505.622	2.624	0	40	KFAB	
C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c1	245228137	GJBYWHIUUYCJQM-STZQEDGTSA-N	518.657	2.635	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	260952339	KBNNVUMJENVEPB-PMACEKPBSA-N	519.664	2.844	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)n(C)c(=O)n4C)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1	408864446	VXTZGGGWRXGTGG-YOKWNPFVSA-N	597.491	2.760	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C)c4ccc(Br)cc43)c(=O)n2[C@H]1c1cccc(OC)c1	409122199	YOQJHAXXKBWTQT-AGGMBTAESA-N	568.449	2.916	0	40	KFAB	
COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)ccc1OCC(=O)N1CCOCC1	409198237	ALHWLBYFAFNQNF-BKUYFWCQSA-N	529.546	2.747	0	40	KFAB	
CCn1cc(NC(=O)CN2CCC3(CC=CC[C@@H]4COCC[C@@H]4NC(=O)[C@@H](CC(C)C)NC3=O)CC2)c(C)n1	2037879692	LPAGFYJZNSIOGC-TZRRMPRUSA-N	542.725	2.634	0	40	KFAB	
NC(=O)c1nsc(C(=O)N(Cc2cccnc2)[C@@H](C(=O)NCc2ccccc2)c2ccc(O)cc2)c1N	6446227	XTDJGXDVFNTGQO-JOCHJYFZSA-N	516.583	2.625	0	40	KFAB	
CCN(CC)S(=O)(=O)c1ccc(C)c(NS(=O)(=O)c2cc(/C=C/C(=O)O)cc(OC)c2OC)c1	12546641	JRZBNJXTGNHTDM-PKNBQFBNSA-N	512.606	2.941	0	40	KFAB	
COC(=O)[C@]1(c2ccccc2)N[C@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21	20150749	YFEFDAGKSLPAEF-GOIZPCHYSA-N	500.507	2.682	0	40	KFAB	
CC[C@@H](SC1=Nc2ccccc2C2=N[C@H](CCC(=O)NCc3ccco3)C(=O)N12)C(=O)NCCCOC	20642945	QKOVIKMAYVQOFX-NHCUHLMSSA-N	525.631	2.999	0	40	KFAB	
O=C(COC(=O)CN1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccc(F)cc3)cc2C1=O)Nc1ccc(F)cc1	97998487	NEHUERFWKDLKHY-UHFFFAOYSA-N	551.458	2.538	0	40	KFAB	
COc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1OCC(=O)Nc1ccc(F)cc1	102995674	CYSVONYOMDJNBY-OAHLLOKOSA-N	545.545	2.683	0	40	KFAB	
O=C1c2ccccc2C(=O)N1C[C@@H]1OCCOCCOCCO[C@@H](CN2C(=O)c3ccccc3C2=O)[C@@H](CN2C(=O)c3ccccc3C2=O)OCCOCCOCCO[C@@H]1CN1C(=O)c2ccccc2C1=O	150649720	NPLASEGDXFYLME-JCIMKDCBSA-N	989.000	2.792	0	40	KFAB	
CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O	223082413	IEOODBIWDKQSDZ-FQEVSTJZSA-N	557.454	2.919	0	40	KFAB	
CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	223609074	MQOLXTNVCJKLTF-HXUWFJFHSA-N	501.605	2.562	0	40	KFAB	
C[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	224099863	FFEHUTCDNJGBTF-FQEVSTJZSA-N	518.655	2.957	0	40	KFAB	
CC[C@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	224960737	YWLGOAUMFOYEJS-HSZRJFAPSA-N	531.675	2.846	0	40	KFAB	
CS(=O)(=O)c1ccc(CN2C[C@@H](O)CNS(=O)(=O)c3ccc(-c4cccc(C(F)(F)F)c4)cc3OC[C@]3(C[C@H](O)[C@H](O)C3)C2)cc1	253406946	VIQFLZUOUUMUGO-KHJGLVBMSA-N	684.755	2.812	0	40	KFAB	
COc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)c(OC)c1	260710541	CUYFVUQVHWTJAL-QGZVFWFLSA-N	509.600	2.551	0	40	KFAB	
COC(=O)[C@@H]1CN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3OC)C2)c2ccccc2O1	260751996	WRTVEMBAPHTZIZ-YWZLYKJASA-N	508.980	2.717	0	40	KFAB	
O=C(O)COc1c(Br)cc(I)cc1/C=C1/SC(=O)N(CC(=O)O)C1=O	409148021	OEZFZWJYXSPWAA-XNWCZRBMSA-N	542.101	2.638	0	40	KFAB	
CCOC(=O)CN1C(=O)/C(=c2/sc3n(c2=O)[C@@H](c2cc(OC)c(OC)cc2Br)C(C(=O)OCC)=C(C)N=3)c2ccccc21	409385653	BUOYBMLDKNHPBK-IUKMQXEJSA-N	670.538	2.858	0	40	KFAB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(O[C@@H](C)C(=O)OC)c(OC)c3)C2=O)o1	409400916	VGXGHAZDDXFIOE-LWHXSLQUSA-N	537.319	2.871	0	40	KFAB	
O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4cc(-c5ccccc5)ccc41)CC[C@@H]3O)N(C1CCOCC1)C2	514287636	SEGCZUJZAMBPSR-USJHEHEUSA-N	549.668	2.513	0	40	KFAB	
CCOC(=O)c1cnn(-c2nc(-n3ncc(C(=O)OCC)c3N)c3c4c(sc3n2)C[C@@H](C)CC4)c1N	2253304	PXJKIKRMFKWNLJ-NSHDSACASA-N	510.580	2.705	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CC[C@H](NC(=O)Cc3cccs3)C[C@H]2C(=O)N[C@@H](CC2CCCCC2)C(N)=O)cc1	4221921	KRXOPYGHGCQLJA-OPXMRZJTSA-N	590.768	2.578	0	40	KFAB	biogenic,in-vitro
Cc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(c3cccc(Cl)c3)CC2)cc1Cl	19820866	ZZMSBNCKZHXARW-QFIPXVFZSA-N	518.445	2.780	0	40	KFAB	
Cc1ccc(C)c(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)S(C)(=O)=O)c1	44848160	HBEPXZOFBZLIGO-UHFFFAOYSA-N	517.633	2.916	0	40	KFAB	
O=C(OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1	68704936	JJFICUPIRKNFIU-DDRRAVBJSA-N	574.517	2.881	0	40	KFAB	
COc1cccc(OC)c1OC[C@@H](O)CN1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1	96134161	GEFWLUZSCPNGJK-NRFANRHFSA-N	519.598	2.511	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCN(S(=O)(=O)Cc4ccccc4Cl)CC3)CC2)cc1	140037305	HUIOYYQUUBEHBG-UHFFFAOYSA-N	540.107	2.723	0	40	KFAB	
CC(=O)OC[C@H]1O[C@@H](Oc2cc(OC(C)=O)c3c(=O)c(-c4ccc(OC(C)=O)c(OC(C)=O)c4)coc3c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	150343750	WSMQBJMPWPNLTJ-BTWQBLKXSA-N	742.639	2.698	0	40	KFAB	
COC(=O)CSc1nnc(NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)s1	223231249	WVAIQYDNAOUOGF-UHFFFAOYSA-N	538.629	2.654	0	40	KFAB	
COc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc(SC)c(C(=O)N4CCOCC4)c3)n2)cc1OC	223611524	ZIEPPVJTVBPDET-UHFFFAOYSA-N	548.643	2.769	0	40	KFAB	
C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	224079651	PQGNMMCYYAWFDD-QGZVFWFLSA-N	510.607	2.910	0	40	KFAB	
CC[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)N(c1cccc(C)c1)S(C)(=O)=O	224333439	NCXUHCGNVZRTOF-QHCPKHFHSA-N	523.677	2.519	0	40	KFAB	
COc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)c(OC)c1	225581624	CUYFVUQVHWTJAL-KRWDZBQOSA-N	509.600	2.551	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2C[C@]3(CCCN(CC(=O)Nc4cccc(S(=O)(=O)N5CCOCC5)c4)C3)OC[C@@H]2CC(C)C)cc1	257258455	KTXXEKGFLWHJBD-JTSJOTPCSA-N	648.848	2.925	0	40	KFAB	
Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc4c(c3)OCO4)S(C)(=O)=O)cc2)c1	408547932	OQMGXDKEQTUGOW-UHFFFAOYSA-N	517.585	2.929	0	40	KFAB	
COc1cc([C@H](C(=O)NCCC(C)C)N(Cc2ccco2)C(=O)c2snc(C(N)=O)c2N)ccc1O	6134112	MOJFNGCLVQBVSB-HXUWFJFHSA-N	515.592	2.677	0	40	KFAB	
CC(C)C(=O)N1C(=O)c2cccc3c(S(=O)(=O)N4CCCC4)cc(S(=O)(=O)N4CCCC4)c1c23	12293345	ULFRIJIHPPJCHW-UHFFFAOYSA-N	505.618	2.552	0	40	KFAB	
CCOC(=O)C1=C(CS(=O)(=O)c2ccc(C)cc2)NC(=O)N[C@H]1c1cc(OC)c(OC)c(OC)c1	15934965	PJENSQMFROHWEN-NRFANRHFSA-N	504.561	2.666	0	40	KFAB	
COc1ccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4ccccc4F)CC3)c(=O)[nH]c2c1	19940436	ZHCNZJYLWMFXSE-CJFMBICVSA-N	519.581	2.753	0	40	KFAB	
O=C(CNc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)Nc1cccc(C(F)(F)F)c1	72139463	MISFJNASPHFMDH-UHFFFAOYSA-N	528.553	2.614	0	40	KFAB	
O=C1S/C(=C\c2cccs2)C(=O)N1CCNC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	97981327	ZJNJALTYBNMDTG-JXAWBTAJSA-N	538.698	2.792	0	40	KFAB	
NC(=O)c1nsc(C(=O)N(c2ccc3c(c2)OCO3)[C@H](C(=O)NCc2ccccc2)c2ccc(O)cc2)c1N	100285006	XIRNTKQXIRGEMT-QHCPKHFHSA-N	545.577	2.963	0	40	KFAB	
CC[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O	216469031	AVOPGMMSIVVYAV-HXUWFJFHSA-N	521.596	2.908	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225068466	FIAMNRCVRRBUSS-OAQYLSRUSA-N	531.675	2.990	0	40	KFAB	
CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	225264064	KMYOSSSJBFYIER-NRFANRHFSA-N	523.627	2.943	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1	225510050	CSLOHTCYIYRRCZ-IBGZPJMESA-N	521.661	2.909	0	40	KFAB	
CC(=O)N1CCC(C(=O)N2CC[C@H](Oc3cccc(Br)c3)[C@@H](CC(=O)N3CCOCC3)C2)CC1	257263282	LPCZWKJFUVHEOV-REWPJTCUSA-N	536.467	2.552	0	40	KFAB	
COc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)cc1OC	260896278	MQQOQTQRBANGJB-HXUWFJFHSA-N	519.664	2.968	0	40	KFAB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(O)c(OC)c4)c(=O)n32)cc1OCC	408933001	GLQRNTIVMYGEDQ-TYBHGIAWSA-N	510.568	2.530	0	40	KFAB	
O=C(COc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc1)N1CCOCC1	409272692	ODSLWKSVUYGEMU-HZHRSRAPSA-N	521.595	2.545	0	40	KFAB	
COc1ccc(C(=O)CN(c2ccc(NC(=O)c3ccc(OC)c(OC)c3)cc2)[C@@H]2CS(=O)(=O)C[C@H]2O)cc1OC	575422111	LAVXJXDPYNZIDJ-ISKFKSNPSA-N	584.647	2.821	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OC)c(OCCCn3ccnc3)c2)C[C@@](O)(COc2ccc(F)cc2)C1	585272205	LWCYTFHJFPMHMT-LJAQVGFWSA-N	556.635	2.601	0	40	KFAB	
COc1ccc(C[C@]2(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1	2101241	CZHXWJUFFYDJKV-XASJVRKQSA-N	556.619	2.797	0	40	KFAB	biogenic
CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1	3358032	MNVUMOJOZNUCRV-UHFFFAOYSA-N	526.011	2.924	0	40	KFAB	
COc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2cccnc2)C(=O)c2snc(C(N)=O)c2N)cc1OC	6162732	ZUBFNODLDLHKIP-JOCHJYFZSA-N	538.630	2.679	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3C)OCO4)c(=O)n2[C@H]1c1cc(OC)ccc1OC	8437268	GNPVEYHYHSABGQ-ZYDFGXJWSA-N	522.579	2.853	0	40	KFAB	
COc1cc(-c2nnc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)o2)cc(OC)c1OC	10186797	KGGZEOADJMYYJP-UHFFFAOYSA-N	508.578	2.863	0	40	KFAB	
COc1ccc(-c2nc(SCC(=O)N3CCCc4ccccc43)c3c(=O)n(C)c(=O)n(C)c3n2)cc1	11758123	UPOGNFCHSCNUQH-UHFFFAOYSA-N	503.584	2.774	0	40	KFAB	
CCOc1cc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(F)c(OCC)c3)CC2)ccc1F	16780555	KUVUGIFKBJMMOF-UHFFFAOYSA-N	504.577	2.848	0	40	KFAB	
CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@H](CC(C)C)C(=O)O	70706718	QHVMQTKFXOUXCO-RBZQAINGSA-N	536.629	2.620	0	40	KFAB	biogenic
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CSc3nnc(-c4ccccc4F)n3N)cc2)nc(C)n1	97952668	NWELSZKNSGHWEB-UHFFFAOYSA-N	528.595	2.736	0	40	KFAB	
COc1cc(-c2nnc(SCC(=O)Nc3ccc(S(=O)(=O)Nc4cc(C)nc(C)n4)cc3)n2N)cc(OC)c1OC	100977513	LTQLKPQPLUAGQM-UHFFFAOYSA-N	600.683	2.623	0	40	KFAB	
COc1cccc(-n2c(SCC(=O)N3CCN(C(=O)c4ccco4)CC3)nnc2-c2cccc(S(=O)(=O)N(C)C)c2)c1	103069924	ZWTMCKSPORSLMT-UHFFFAOYSA-N	610.718	2.863	0	40	KFAB	
O=C(NCCN1CCOCC1)[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	223372737	GCUDAWPCWOMEBU-JGCGQSQUSA-N	671.216	2.958	0	40	KFAB	
CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C	223874080	IPGXMUDQLGKNKA-FQEVSTJZSA-N	506.644	2.999	0	40	KFAB	
CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	224540221	LBHYYENIFQGFHR-JOCHJYFZSA-N	517.648	2.803	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCc1cccc(CN2CCOCC2)c1	224754171	DOUKYHGSKKMLCX-UHFFFAOYSA-N	501.649	2.561	0	40	KFAB	
CC[C@@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C	224960507	FNIMCQAVJAUPML-DEOSSOPVSA-N	502.681	2.922	0	40	KFAB	
COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1	225535818	BAZLCNXUNJKXAP-INIZCTEOSA-N	513.613	2.560	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	225585378	PELPBGGBGZQYJS-QHCPKHFHSA-N	505.596	2.526	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)C2)cc1Cl	260734394	IDFNNCCZIKEKAD-INIZCTEOSA-N	530.068	2.947	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	260921942	GQXLGKXHIPGMPV-PMACEKPBSA-N	506.644	2.813	0	40	KFAB	
COC(=O)COc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc1I	408549935	BVTIQHNYOBODFK-OQLLNIDSSA-N	530.340	2.502	0	40	KFAB	
O=C(O)CN1C(=O)S/C(=C/c2cc(I)c(O)c(I)c2)C1=O	409126958	GMMJBEWAMWDFHG-FPYGCLRLSA-N	531.065	2.722	0	40	KFAB	
CCCC1=C(C(=O)OCC)[C@H](c2ccc3c(c2)OCO3)n2c(s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)c2=O)=N1	409156522	ODDFQTAEHVSIGR-JGAIACPSSA-N	649.722	2.553	0	40	KFAB	
COc1ccc(CC(=O)NCc2nnc(SCC(=O)Nc3cccc(C(=O)OC(C)C)c3)n2C)cc1	409356172	FQZMBAGKORIGHO-UHFFFAOYSA-N	511.604	2.979	0	40	KFAB	
COc1ccc(CCCNC(=O)[C@@H]2CCC(=O)N[C@@H](CC(C)C)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1OC	643569399	SWSCXJRJBHGLQQ-DQEYMECFSA-N	596.725	2.713	0	40	KFAB	
COc1ccc(CCNC(=O)[C@@H]2CCC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N(C)CC(=O)N[C@@H](CC(C)C)COc3ccccc3C(=O)N2)cc1	643572181	RLWQOCPHMFUNHH-RMFXYIPJSA-N	715.848	2.748	0	40	KFAB	
COCC(=O)N1C[C@H](CC(C)C)N(C(=O)C2(c3cccc(F)c3)CCCC2)CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)C1	643586333	GAYXTCBMQHHXRA-NFWVVERESA-N	580.738	2.903	0	40	KFAB	
CC(=O)Nc1ccc2oc(-c3ccnc(C(=O)N4CCN([C@H](c5ccccc5)c5nnn(C)n5)CC4)c3)nc2c1	1772768858	VMAAUIZLAZYALS-RUZDIDTESA-N	537.584	2.919	0	40	KFAB	
COc1cc(NC(=O)O[C@@H]2CC[C@@]3(C)[C@H](CC(=O)N4CC[C@@H](O)C4)[C@H](O)CC[C@@H]3[C@]2(C)CO)cc(OC)c1OC	4236796	XLCTXLUINOBOKU-PXADIJKRSA-N	564.676	2.799	0	40	KFAB	biogenic,in-vitro
CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(Br)cc2Br)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	6073926	VBWWLFJAKXINAH-LJDSDSDDSA-N	582.194	2.674	0	40	KFAB	
COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(N5CCN(C)CC5)o4)c(=O)n32)cc1	8399847	OYRLIKZTNCZKCN-UQTDQPHJSA-N	536.654	2.540	0	40	KFAB	
CCS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)nn1	9787102	IOZZYUYUMBNXCH-UHFFFAOYSA-N	500.602	2.974	0	40	KFAB	
Cc1c(NC(=O)COC(=O)c2ccccc2SCC(=O)N2CCCC2)c(=O)n(-c2ccccc2)n1C	12530461	TXZVRSRHRSFSLE-UHFFFAOYSA-N	508.600	2.994	0	40	KFAB	
CCCCN(C(=O)CSCC(=O)Nc1ccc(OC)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	24764705	XWBMVVHQYQOCCW-UHFFFAOYSA-N	525.631	2.681	0	40	KFAB	
COc1cc2s/c(=N\C(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@H](C)C4)cc3)n(C)c2cc1OC	101035671	XZEZQXILWQPWPF-LZZYMIELSA-N	505.618	2.796	0	40	KFAB	
COCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1	222811693	CLTLCVYBIVAMJF-GOSISDBHSA-N	522.067	2.893	0	40	KFAB	
COc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)cc1	224024975	QEWUVJMXLDNYSD-IBGZPJMESA-N	517.648	2.946	0	40	KFAB	
CC[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)N(c1cc(Cl)ccc1C)S(C)(=O)=O	224256438	PLEZBIWHIXWTMJ-FQEVSTJZSA-N	532.084	2.639	0	40	KFAB	
CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	224760897	WHNYJEMRVMKPOH-JOCHJYFZSA-N	535.638	2.943	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)C2)cc1	408714371	POQCXJHYYLTPFY-INIZCTEOSA-N	536.657	2.992	0	40	KFAB	
CCCCNC(=O)c1ccccc1NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	409251325	PNYWTDFZOFASGK-AREMUKBSSA-N	584.720	2.919	0	40	KFAB	
COc1cccc([C@@H]2[C@@H](C(C)C)CN(C(C)=O)C[C@H](OC)[C@@H](O)[C@@H](O)COCCCCN2Cc2cc[nH]n2)c1	643912933	DEITVOFMHYVWTP-LLQHYSMESA-N	546.709	2.630	0	40	KFAB	
O=C(CN1CC[C@H]2NC(=O)[C@H](Cc3ccccc3)NC(=O)C3(CC=CC[C@H]2C1)CCOCC3)NCc1ccc2c(c1)OCO2	2037879325	NTDGCDVFBAZOEA-IARZGTGTSA-N	602.732	2.713	0	40	KFAB	
COc1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N([C@H](C)C(=O)OCC(=O)Nc2ccc(OC)cc2)C3=O)cc1	6166169	SNZUPFORBJPTLN-QGZVFWFLSA-N	589.557	2.666	0	40	KFAB	
CCOC(=O)CSc1nc2ccc(Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2s1	8445205	WFVTVSQVLLMKKM-UHFFFAOYSA-N	517.637	2.553	0	40	KFAB	
O=C(CCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)N1CCN(Cc2ccc3c(c2)OCO3)CC1	20644449	VMSHLXFJJOYZGH-UHFFFAOYSA-N	510.572	2.641	0	40	KFAB	
CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)ccc1F	38145208	UVUQWZYDRODFTC-UHFFFAOYSA-N	568.693	2.730	0	40	KFAB	
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	59064415	SRPHMISUTWFFKJ-ILISLXFMSA-N	516.675	2.929	0	40	KFAB	
COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2OC)cc1OC	100309792	FMLXQDGYFQAMPN-MWTRTKDXSA-N	569.640	2.533	0	40	KFAB	
COc1cc2cc(C)c3nnc(SCC(=O)Nc4ccc(S(=O)(=O)N5CCOCC5)cc4)n3c2cc1OC	100329146	IJAHDYGDVAHPLB-UHFFFAOYSA-N	557.654	2.960	0	40	KFAB	
COc1ccc(-c2nnc(SCC(=O)Nc3ccc(S(=O)(=O)Nc4cc(C)nc(C)n4)cc3)n2N)cc1OC	100977444	YGNDMLSBILJFTI-UHFFFAOYSA-N	570.657	2.615	0	40	KFAB	
CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)ccc1Cl	103049662	SKWWENZBZMXNCD-UHFFFAOYSA-N	530.068	2.952	0	40	KFAB	
COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CCCN(c1ccccc1F)S(C)(=O)=O	223296941	MWLPQYWKUVALRA-UHFFFAOYSA-N	501.602	2.706	0	40	KFAB	
CC(C)NC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4ccc(F)c(F)c4)C[C@H]3C(=O)NC[C@H]1O2	253396425	DTFCSDJCNLJFJH-UAXWJAQVSA-N	599.679	2.814	0	40	KFAB	
O=C(Nc1ccccc1C(=O)NCc1cccnc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl	408703577	TXXYHEOUIZBNJL-UHFFFAOYSA-N	514.991	2.938	0	40	KFAB	
CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)c(Br)cc1OCC(=O)OC	409237633	ARZMYNLZMKNBFD-RQZCQDPDSA-N	562.373	2.940	0	40	KFAB	
CN1CCC(C(=O)NCCCn2ccnc2)(N(CCc2c[nH]c3ccccc23)C(=O)CN2C(=O)c3ccccc3C2=O)CC1	575443905	VNZMYQKLIAGRTO-UHFFFAOYSA-N	595.704	2.703	0	40	KFAB	
O=C(CN1CCC2(CCCCc3ccccc3OCCNC2=O)CC1)NCCS(=O)(=O)c1ccc(F)cc1	643558818	SGDDVKAKZRNDMH-UHFFFAOYSA-N	545.677	2.719	0	40	KFAB	
O=C(CCCC(=O)CCN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)CCN1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2	2101291	CHIXQIPUSKSEFY-NDBXHCKUSA-N	532.685	2.637	0	40	KFAB	
COc1cc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4ccccc4F)CC3)c(=O)[nH]c2cc1OC	6136455	ZIFLGQHDDQUOTN-BCHFMIIMSA-N	549.607	2.762	0	40	KFAB	
CCCOc1ccc(N2C(=O)C[C@@H](N(CCc3ccc(OC)c(OC)c3)C(=O)/C=C/C(=O)O)C2=O)cc1	6500738	SMPCFKZJDAKNLW-RJRNSMGGSA-N	510.543	2.837	0	40	KFAB	
O=C(NCCC1=CCCCC1)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	16491475	GRSIPFLLDINUSG-XMMPIXPASA-N	517.673	2.757	0	40	KFAB	
CCOc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C[C@@H]2CCCO2)C(=O)Cn2nnc3ccccc32)cc1	33936858	RGEUHPYCZFZXLD-QSEAXJEQSA-N	521.618	2.874	0	40	KFAB	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Cl)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1	34942170	KYYVKCPDBFJTFO-ZRELAVNMSA-N	512.971	2.996	0	40	KFAB	
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2cccc(OCC(=O)N3CCOCC3)c2)cc1	59489552	WLQXLGCKPYILBR-UHFFFAOYSA-N	503.621	2.987	0	40	KFAB	
Cc1cc(C)cc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)c1	59851847	VDQFBYUNGSHXJI-UHFFFAOYSA-N	573.693	2.820	0	40	KFAB	
COc1cc(OS(=O)(=O)O)ccc1OCCNC[C@H](O)COc1cccc2[nH]c3ccccc3c12	65742973	FMLIWSROQXGZRD-INIZCTEOSA-N	502.545	2.920	0	40	KFAB	in-vitro
Cn1c(=O)n([C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)O)c(=O)c2ccccc21	70707127	VPVKYGAEDWYKLF-GMAHTHKFSA-N	552.628	2.748	0	40	KFAB	biogenic
COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2OC)cc1OC	100309796	FMLXQDGYFQAMPN-WAIKUNEKSA-N	569.640	2.533	0	40	KFAB	
O=S(=O)(c1ccc(S(=O)(=O)N2CCC(c3nc(O)c4nnn(Cc5cccc(Cl)c5)c4n3)CC2)cc1)N1CCCC1	100445735	NVVNHLXABYEBFT-UHFFFAOYSA-N	618.141	2.981	0	40	KFAB	
CC(=O)N1CCN(c2ccc(NC(=O)CSc3nnc([C@@H](C)N4C(=O)COc5ccccc54)n3C)cc2)CC1	101068784	YIFVERPOOUVFOR-GOSISDBHSA-N	549.657	2.701	0	40	KFAB	
CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)c1	103092178	SLKFTJPXWXRSPS-UHFFFAOYSA-N	560.028	2.895	0	40	KFAB	
COc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1	106709542	RYXZDRSSHIUQFP-STZFKDTASA-N	511.556	2.608	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1	222853520	OXPYKULIMDIRAH-HXUWFJFHSA-N	553.637	2.825	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223015304	QWHXTTDQIQUALH-INIZCTEOSA-N	554.463	2.540	0	40	KFAB	
O=C(NCCO)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1	223325656	QAYMXAXJGCMZFF-NDEPHWFRSA-N	535.666	2.939	0	40	KFAB	
CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O	223401294	ZGKBEYFZEZFXKI-NRFANRHFSA-N	519.620	2.524	0	40	KFAB	
CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O	223477654	JEPGWHYFLADDQH-LJQANCHMSA-N	510.454	2.811	0	40	KFAB	
COC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccc2c(c1)C1(OC2=O)c2ccc(O)cc2Oc2cc(O)ccc21)C(C)C)C(=O)CF	223563332	WXBWWJLGPZGUOS-DJGKDQAASA-N	691.665	2.511	0	40	KFAB	
CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	224540166	LBHYYENIFQGFHR-QFIPXVFZSA-N	517.648	2.803	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O	225480700	GEPKJCUJVAFPMG-MRXNPFEDSA-N	526.453	2.695	0	40	KFAB	
CN1CCN(C(=O)C[C@H]2CN(C(=O)CCc3cnn(C)c3)CC[C@@H]2Oc2cccc(Br)c2)CC1	257293636	QQMMGICUHLYRNF-REWPJTCUSA-N	532.483	2.575	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C)cc1	260870690	DVQFZEDADQRKNT-HXUWFJFHSA-N	519.664	2.968	0	40	KFAB	
CCOc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	408593038	OIDDWVFSEMVEIS-LZYBPNLTSA-N	536.310	2.982	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\[C@H]3C(=O)NC(=S)N(c4ccc(C)c(C)c4)C3=O)c(=O)n2[C@@H]1c1ccc(C)cc1	408830090	XZSIOGJTOGJOGP-UCDXKKFVSA-N	588.711	2.739	0	40	KFAB	
CN1CCC(CC(=O)N2CC[C@@H]3NC(=O)[C@@H](Cc4ccccc4)NC(=O)C4(CC=CC[C@@H]3C2)CCOCC4)CC1	1615106420	GPENYLLZIGMZKS-OZNIXHKMSA-N	550.744	2.926	0	40	KFAB	
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)n1	2709317	GSYGPBIGRFBPHE-UHFFFAOYSA-N	501.590	2.623	0	40	KFAB	
CCOC(=O)c1cc(-c2ccccc2OC)nc2c1c(=O)n(CC(=O)OC)c(=O)n2Cc1ccccc1	3332034	CFKQIWCGSXBJTC-UHFFFAOYSA-N	503.511	2.632	0	40	KFAB	
CCOc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(OC)c2)cc1	6601433	ZASYEWUHLKVCLW-REWPJTCUSA-N	553.641	2.915	0	40	KFAB	
CCCCN(C(=O)COC(=O)CSc1cc(C)c2ccccc2n1)c1c(N)n(CCC)c(=O)[nH]c1=O	15940635	BOYXOEAYMBABHF-UHFFFAOYSA-N	513.620	2.854	0	40	KFAB	
CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1	59607478	ZSVOKYQZHMVRIC-LJAQVGFWSA-N	597.716	2.926	0	40	KFAB	
CC(=O)Nc1ccc(NC(=O)Cn2c(=O)n(CC(=O)NC3CCCC3)c(=O)c3oc4ccccc4c32)cc1	72332077	KWCXTKAOAKBFQN-UHFFFAOYSA-N	517.542	2.565	0	40	KFAB	
CCOC(=O)N[C@@](C(=O)OCC)(N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1)C(F)(F)F	103567471	MGALSPDJAJLEKT-DEOSSOPVSA-N	572.512	2.864	0	40	KFAB	
Nc1nc(=O)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)NCCNC(=S)Nc4ccc5c(c4)C(=O)OC54c5ccc(O)cc5Oc5cc(O)ccc54)C(=O)O)cc3)cnc2[nH]1	197184008	LMEBZGHLPGBLSU-PMERELPUSA-N	872.877	2.953	0	40	KFAB	
C[C@H](C(=O)NCc1ccc2c(c1)OCO2)N(Cc1ccccc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O	222707953	MLVCDLHXZLJIMW-OAQYLSRUSA-N	537.638	2.911	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1	225510010	CSLOHTCYIYRRCZ-LJQANCHMSA-N	521.661	2.909	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	225608677	GAZVBOVPBMKYAU-QFIPXVFZSA-N	526.014	2.871	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2C[C@@]3(CCCN(CC(=O)Nc4cccc(S(=O)(=O)N5CCOCC5)c4)C3)OC[C@@H]2CC(C)C)cc1	257258454	KTXXEKGFLWHJBD-DHIFEGFHSA-N	648.848	2.925	0	40	KFAB	
Cc1cccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NCCCN4CCOCC4)CC3=O)cc2)c1C	408574964	DTDQTQCJICEBTE-QFIPXVFZSA-N	508.619	2.512	0	40	KFAB	
CCOC(=O)CN1C(=O)S/C(=C/c2cc(I)c(OCC(=O)O)c(I)c2)C1=O	409050117	YZHKWFJZKSNBRO-VZUCSPMQSA-N	617.155	2.959	0	40	KFAB	
C[C@H]1CCCCN1C(=O)Cn1cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)c2ccccc21	409128028	HIAZRMRFAATAKA-GFHXCNCHSA-N	510.616	2.937	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3/C(=O)N(C(C)C)c4ccccc43)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	409149338	BZTJJUYETOBVIW-SBXHHDGASA-N	547.633	2.941	0	40	KFAB	
COCC(=O)N1CCN(C[C@]2(O)CC[C@@H](c3ccccc3)CC2)C[C@@](O)(COc2cccc(F)c2)C1	585286772	IPDLWJNOLCKXQP-LBNPDIFZSA-N	500.611	2.815	0	40	KFAB	
COc1cccc([C@@H]2[C@@H](C(C)C)CN(C(C)=O)C[C@H](OC)[C@@H](O)[C@@H](O)COCCCCN2C(=O)CN2CCC(c3cnccn3)CC2)c1	643584910	MTDHYWVHQYAMRD-ZGDJHFLISA-N	669.864	2.902	0	40	KFAB	
CCn1cc(C(=O)O)c(=O)c2cnc(N3CCN(C(=S)N[C@H](C)c4ccc(Cl)cc4)CC3)nc21	1443365	XAUQGGOBGXMFBV-CQSZACIVSA-N	501.012	2.921	0	40	KFAB	
COc1ccc(NC(=O)Cn2c(=O)n(CC(=O)NCc3ccc(C)cc3)c(=O)c3sccc32)c(OC)c1	2689109	DGLCNKPXZHXZDS-UHFFFAOYSA-N	522.583	2.505	0	40	KFAB	
CCCC(=O)OC[C@@H]1O[C@@H](n2cnc3c(=S)nc(N)[nH]c32)[C@@H](OC(=O)CCC)[C@H]1OC(=O)CCC	4887538	PBICKNLZVRHBCU-NQKILNJISA-N	509.585	2.736	0	40	KFAB	
C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NCCOC(=O)C34CC5CC(CC(C5)C3)C4)c2)C[C@@H](C)O1	12496330	HHKDZMXFHKQKGN-FBJFPDEVSA-N	504.649	2.974	0	40	KFAB	
NC(=O)c1nsc(C(=O)N(Cc2ccc(F)cc2)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)c1N	38144981	KWVLIBJWGWINLN-RXVVDRJESA-N	529.569	2.781	0	40	KFAB	
CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)c2C(=O)N2CCOCC2)C1	97963570	XRLOSGQCFLNIIP-UHFFFAOYSA-N	576.697	2.772	0	40	KFAB	
C[C@@H](OC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	103136933	KVXCYKIIAFZNIM-GOSISDBHSA-N	563.588	2.692	0	40	KFAB	
COc1ccccc1C(=O)NN1C[C@H](C(=O)OCC(=O)Nc2cc(C)c(Br)c(C)c2)CC1=O	138687981	VMUYCEYLEDDGSY-OAHLLOKOSA-N	518.364	2.750	0	40	KFAB	
CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	224001877	JTYBWDFUAJPTSE-DEOSSOPVSA-N	519.623	2.997	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)cc1	224216495	CNJQHJLWQLICPZ-UHFFFAOYSA-N	517.629	2.571	0	40	KFAB	
CCc1cc(Br)ccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc(OC)c(OC)c2)C1	408659455	SLEJHRSOUVZTDD-MRXNPFEDSA-N	548.390	2.704	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\Nc3cc(C(=O)O)ccc3C)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	408869789	QWQVORGWFGZUOS-QCHPHUCNSA-N	537.594	2.843	0	40	KFAB	
Cn1c(CNC(=O)c2ccccc2Cl)nnc1SCC(=O)Nc1cccc(C(=O)N2CCOCC2)c1	409340848	BNCRQLBXKXSNFV-UHFFFAOYSA-N	529.022	2.602	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	1212283	OAZZDUNWYIJDPF-MFUBYVTQSA-N	524.595	2.833	0	40	KFAB	
Cc1ccc(OC[C@H](O)Cn2c(N3CCC(Cc4ccccc4)CC3)nc3c2c(=O)[nH]c(=O)n3C)cc1	2416123	ZEVIYYTZDXVOKM-JOCHJYFZSA-N	503.603	2.631	0	40	KFAB	
CCC(CC)NC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccccc43)c(=O)n2[C@H]1c1cc(OC)ccc1OC	3770564	WFNXRFDLQJXTCV-MYXKAAJQSA-N	546.649	2.880	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(Cc3ccc4c(c3)OCO4)[C@H](C(=O)NC[C@@H]3CCCO3)c3ccco3)n2)cc1	7060727	ADJGNOQRSAYVFB-CUNXSJBXSA-N	574.594	2.736	0	40	KFAB	
CCOC(=O)[C@@](NC(=O)CC)(Nc1ccc([C@](O)(C(=O)OCC)C(F)(F)F)cc1OC)C(F)(F)F	8445392	FVDBHHBVHRIXCE-ROUUACIJSA-N	518.407	2.768	0	40	KFAB	
Cc1noc(C)c1COc1ccc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1	8693931	OAVSPOTVYPGTAW-UHFFFAOYSA-N	529.571	2.687	0	40	KFAB	
CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCOC)N3CCN(c4ccccc4OC)CC3)cc2c1	19972952	KFFJDNHETGXOEF-RUZDIDTESA-N	503.607	2.644	0	40	KFAB	
O=C(CCCn1c(SCC(=O)NC2CCCCC2)nc2ccccc2c1=O)NCCCN1CCOCC1	20644145	BLPSJHOXPZGOIF-UHFFFAOYSA-N	529.707	2.556	0	40	KFAB	
O=C(CCCCCn1c(=O)c2sccc2n(Cc2cc(=O)n3ccccc3n2)c1=O)NCc1ccc2c(c1)OCO2	29749765	MBNNNJVQDZQAJK-UHFFFAOYSA-N	573.631	2.886	0	40	KFAB	
COc1ccccc1NS(=O)(=O)c1ccc2oc(SCC(=O)NCCN3C(=O)CSC3=O)nc2c1	103088181	DQOWWWQACUSGQG-UHFFFAOYSA-N	536.613	2.541	0	40	KFAB	
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)[C@@]4(O)CC5(CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)OCC(C)(C)CO5	118936670	ZLQSMGWGWLVEOS-JSASPEBGSA-N	522.679	2.993	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)ccc3OC)c(=O)n2[C@H]1c1cc(OC)ccc1OC	207305550	FBPZXGKBDWOINT-JGTYQCAFSA-N	524.595	2.833	0	40	KFAB	
COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)C1	222550506	SYQLRQLBFVHFQL-GOSISDBHSA-N	509.650	2.602	0	40	KFAB	
COc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)cc1OC	224154505	JHFDINCRAINUIP-FQEVSTJZSA-N	519.664	2.968	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@H](NC(=S)Nc2ccc(Oc3ccccc3)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	254696512	RPGZUPIDELFEPL-IYMLOVEFSA-N	574.608	2.848	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)[C@H](C)C(=O)NC(C)(C)C)cc1	260801896	QQOIIXDJENSZHD-GOSISDBHSA-N	533.647	2.564	0	40	KFAB	
COc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c(OC)c1	260899143	NLVXQOJUFRMSDY-HXUWFJFHSA-N	519.664	2.968	0	40	KFAB	
COC(=O)c1cc(NC(=O)COc2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc(C(=O)OC)c1	408582535	CZQVIAGWOHBZLJ-UHFFFAOYSA-N	512.540	2.756	0	40	KFAB	
O=C([C@H](CCCCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)N1CCCCCC1	408681027	IUGOSLKBUXVTBK-UQDXHWBWSA-N	523.674	2.990	0	40	KFAB	
CCOc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)ccc1OCC(=O)O	409042363	KJEMPKPWHBRENW-OBVMJLIASA-N	522.579	2.660	0	40	KFAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3O)c(=O)n2[C@H]1c1cc(OC)ccc1OC	409094192	CVJKAVGYEGUNEH-XPCGLTFESA-N	537.638	2.835	0	40	KFAB	
CC(=O)N[C@@H]1[C@H](Sc2nc3ccccc3n2CCOc2ccccc2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	504693291	JTNYANXZRVQOMD-QLHPUIKHSA-N	599.662	2.864	0	40	KFAB	biogenic
O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4ccccc41)CC[C@@H]3O)N(Cc1ccc(OC(F)(F)F)cc1)C2	514287686	YGZBXBUZJQCNAA-FYZMTGAWSA-N	563.573	2.765	0	40	KFAB	
COc1ccc(CCCNC(=O)[C@@H]2CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N3CCC[C@@H]3COc3ccccc3C(=O)N2)cc1OC	643565024	BSMWEZNYFWFDSX-IGBKUBFESA-N	658.752	2.758	0	40	KFAB	
Cc1csc(CCCNC(=O)[C@@H]2CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCCOc3ccccc3C(=O)N2)n1	643580883	XDNACOXOJBXDMN-CPCREDONSA-N	740.883	2.748	0	40	KFAB	
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C(N)=O)CC[C@@H](C)C4)cc2)CC1	4177334	LNKFVEQHXYMJIB-OAHLLOKOSA-N	534.660	2.687	0	40	KFAB	
CCOC(=O)CN(C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)[C@H](C(=O)NC(C)(C)C)c1ccc(O)cc1	6546234	WDLFKZFIDZPGPA-QFIPXVFZSA-N	528.997	2.747	0	40	KFAB	
COCCNC(=O)[C@@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)c(C)c1	12467371	OYBMMMJTPUKAHM-OAQYLSRUSA-N	511.604	2.600	0	40	KFAB	
Cc1c(Cl)ccc2c1NC(=O)[C@]21N[C@H](CCC(N)=O)[C@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]21	16009809	OKVIFIZETMQGRF-JXPGZLFOSA-N	502.958	2.992	0	40	KFAB	
CCCCn1c(N)c(N(CC(C)C)C(=O)CN2C(=O)NC3(CCC(C(C)(C)CC)CC3)C2=O)c(=O)[nH]c1=O	32957704	OZKMVXMOBVUXFX-UHFFFAOYSA-N	532.686	2.825	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccnc3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1	33920218	VTBOHUPVNGKJPL-CYEGBWLXSA-N	514.401	2.964	0	40	KFAB	
COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1C(=O)N1CCCC1	60061033	SFDMTGRAQVVSNO-UHFFFAOYSA-N	545.643	2.940	0	40	KFAB	
CC(=O)N[C@H]1[C@H](Sc2nnc(-c3ccccc3)n2-c2ccccc2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	70712112	IXWQRHYNPGPQKG-CMSSPHMHSA-N	582.635	2.683	0	40	KFAB	biogenic
COCCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)sc2cc(S(N)(=O)=O)ccc21	100873015	APNIXVZRSGHHOX-LCUIJRPUSA-N	560.679	2.563	0	40	KFAB	
CCc1c(O[C@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)ccc(C(=O)Cc2ccc3c(c2)OCO3)c1O	103692728	VBEJBERDNOPXME-XUIYDDGGSA-N	630.599	2.571	0	40	KFAB	
O=c1[nH]c(=O)n(-c2ccc(Cl)cc2)c(O)c1C(c1ccccn1)c1c(O)n(-c2ccc(Cl)cc2)c(=O)[nH]c1=O	103770562	MGHIXVIWHPEIAR-UHFFFAOYSA-N	566.357	2.658	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	223127943	MXAPVAWGUORWEV-QZTJIDSGSA-N	510.607	2.910	0	40	KFAB	
O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1	224435908	MOFOQHPGJRHNMR-UHFFFAOYSA-N	638.562	2.861	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O	225358929	QPLCFKAVRYKNSC-RBUKOAKNSA-N	505.637	2.802	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O	225399119	CUMDCTPYPNZCOS-INIZCTEOSA-N	510.012	2.778	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C	225488265	KIVJRHPTUXXKGZ-GOSISDBHSA-N	539.496	2.842	0	40	KFAB	
CCOC(=O)COc1cccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)c1	408949933	SYSVTFOLRAIAKT-KEQCBNTKSA-N	566.632	2.757	0	40	KFAB	
COCC(=O)N1CCCN(C)CCN(C(=O)Cc2cc(Cl)c3c(c2)OCCO3)Cc2ccccc21	643554632	MWFPUKGLTPBGHW-UHFFFAOYSA-N	502.011	2.997	0	40	KFAB	
O=C(C[C@@H]1CCN2C[C@@H]1C=CCOc1ccccc1CN(Cc1ccncc1)CC2=O)N1CCOCC1	958317675	CKFIEGLNALTFMX-DQEYMECFSA-N	504.631	2.746	0	40	KFAB	
Cc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@@H](C(=O)NC[C@@H]3CCCO3)c3ccc(C)o3)n2)o1	888746	GTFUCRCXUYIQTB-FDDCHVKYSA-N	508.535	2.801	0	40	KFAB	
O=C(O)c1cc(N2C(=O)c3ccc(S(=O)(=O)c4ccc5c(c4)C(=O)N(c4ccc(O)c(C(=O)O)c4)C5=O)cc3C2=O)ccc1O	4066129	MLLZIFHCIPMPGB-UHFFFAOYSA-N	628.527	2.928	0	40	KFAB	
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3cccc(Cl)c3)CC2)N[C@@H]1c1ccc(OC)cc1OC	10157504	NLWYQXZHLJPCAV-FGZHOGPDSA-N	500.983	2.886	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc4c(cc3C)OCO4)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	22846933	GNPVEYHYHSABGQ-PMPAQKPWSA-N	522.579	2.853	0	40	KFAB	
COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2F)cc1OC	100309827	NBCIOPNXLVFAMA-NYHFZMIOSA-N	557.604	2.664	0	40	KFAB	
Cc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1S(=O)(=O)N1CCOCC1	103141636	PZJLWWKAWDBBBU-UHFFFAOYSA-N	534.685	2.924	0	40	KFAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCOCC4)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	104944971	KJISVQFJVAUHEJ-CVMWMZFYSA-N	566.680	2.550	0	40	KFAB	
COc1ccc(CN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)[C@@H](C)C(=O)NCCCOC(C)C)cc1	222938604	GFIYBBAHJQTCRA-QFIPXVFZSA-N	533.691	2.805	0	40	KFAB	
CC[C@@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	224959661	JZWRLASVSNVQDY-QFIPXVFZSA-N	517.648	2.803	0	40	KFAB	
CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	225150620	IEQATNDWGHUROE-NRFANRHFSA-N	503.621	2.823	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O	225411257	WSHIGAJKPCAQHW-RTBURBONSA-N	515.632	2.952	0	40	KFAB	
COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)N(CCCC(=O)O)C(=O)[C@@H]54)[C@H]23)cc1OC	245235943	OYHUVFMUVOPDKA-TUWDIFCESA-N	530.624	2.792	0	40	KFAB	
CC(C)(C)OC(=O)NCCCOc1ccc(C(=O)N(Cc2ccccc2)C[C@@H]2C[C@@H](n3ccc(O)nc3=O)[C@@H](O)[C@@H]2O)cc1	257318359	VNORCPIVDGUFBR-LPWJOBEDSA-N	608.692	2.868	0	40	KFAB	
CN(CC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1)S(C)(=O)=O	260719704	LSUOTKOFVLJZNC-SANMLTNESA-N	541.601	2.832	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	260936215	YDMDKQBPLLRWNV-OALUTQOASA-N	505.637	2.802	0	40	KFAB	
COc1ccc(OC)c(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1	408685231	KZYPJIWYICBABS-DUIKAJENSA-N	506.555	2.828	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C(N)=O)CC2)c2ccc(C)cc2)cc1Br	409025470	VMNHQEUQOFBUJL-UHFFFAOYSA-N	524.437	2.685	0	40	KFAB	
CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C/c3cc(OC)c(OC(C)=O)c(OC)c3)c2=O)=N1	409050221	SOSVQXOCKTUQPT-XOYGFPHKSA-N	522.579	2.741	0	40	KFAB	
CCOc1cc(C(c2c(O)n(C)c(=S)n(C)c2=O)c2c(O)n(C)c(=S)n(C)c2=O)cc(Br)c1O	409073042	WYCYCQACRVJQBC-UHFFFAOYSA-N	571.475	2.678	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCCC4)c(OC)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	409156304	NLEXAJANPPVNIZ-NAIWQIQESA-N	621.712	2.825	0	40	KFAB	
CCOC(=O)COc1c(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(Br)cc1OC	409398801	CVOJCQOBHFXMGO-NVNXTCNLSA-N	537.319	2.872	0	40	KFAB	
Cc1cc(OC[C@]2(CC(=O)N3CCN(C)CC3)CN(C(=O)CCc3nnc(C(C)C)o3)CCO2)ccc1Cl	585287497	YDKMROPZGFCVIH-MHZLTWQESA-N	548.084	2.928	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)n(C)c(=O)n4C)c(=O)n2[C@@H]1c1ccc(Cl)cc1	1413750	XYSUCPKJTCYZEX-VLOXRPPESA-N	523.014	2.642	0	40	KFAB	
CCOc1ccccc1NC(=O)CSc1nc(-c2ccc(OC)cc2)nc2c1c(=O)n(C)c(=O)n2C	11758138	YPYGYJCMGOMGRD-UHFFFAOYSA-N	507.572	2.832	0	40	KFAB	
COc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4ccccc4)CC3)c(=O)[nH]c2c1	19940430	QXIUAXDRVBNRSA-WIOPSUGQSA-N	501.591	2.614	0	40	KFAB	
COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(C4CCCCC4)CC3)cc2c1	20080007	QTDKNXLLQAMTBT-RCZVLFRGSA-N	507.639	2.742	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)C2)cc1OC	59838725	UZRAOABJVANFSH-NRFANRHFSA-N	565.714	2.596	0	40	KFAB	
COC(=O)C(=O)[C@H](C(=O)C(=O)Nc1ccc(C)cc1)c1nc2ccc(C(=O)c3ccccc3)cc2nc1O	101388406	KKCBEEFDXQMKAF-NRFANRHFSA-N	511.490	2.908	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc(Cl)cc3)c(O)c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	102804371	JWTWVAVUQMMSIC-DJOAIXOZSA-N	592.981	2.933	0	40	KFAB	
Cc1ccc(S(=O)(=O)[C@@H]2NCCN[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@H](S(=O)(=O)c3ccc(C)cc3)NCCN[C@H]2S(=O)(=O)c2ccc(C)cc2)cc1	150685014	VHPGQPPILXWUFK-IHAKKMGISA-N	789.036	2.792	0	40	KFAB	
O=C(O)Cn1cc([C@@H](C(=O)O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c2ccc(Br)cc21	213098936	BNDXYQPZYYJTGI-QLEMLULZSA-N	500.349	2.895	0	40	KFAB	
COCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	223221790	MNTNEXZISBLGBM-HKBQPEDESA-N	639.771	2.888	0	40	KFAB	
CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O	223437350	LZAZGLCOXOKYTE-FQEVSTJZSA-N	573.453	2.619	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)c2ccc(Cl)cc2)cc1	224212282	HHDPROVRPFBZGK-UHFFFAOYSA-N	582.100	2.989	0	40	KFAB	
O=C(COc1ccc(Cl)cc1Br)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1	224466795	BECHUHMDGPOPSO-UHFFFAOYSA-N	533.828	2.697	0	40	KFAB	
O=C(NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1	226088590	VUVNNUKTSMQQID-HXUWFJFHSA-N	540.107	2.884	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NC(C)C)c1ccc2c(c1)OCCO2	260723821	HQLIAWRZMPSVFS-GOSISDBHSA-N	521.611	2.695	0	40	KFAB	
O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1)NCCN1CCOCC1	408618740	FLLHYNRUVIAFOK-UHFFFAOYSA-N	530.872	2.742	0	40	KFAB	
Cc1ccc(CN(Cc2ccc(/C=c3\sc4n(c3=O)CCN=4)o2)S(=O)(=O)c2ccc(C)cc2)cc1	408837360	CZGUAGHDOOKKPT-IWIPYMOSSA-N	507.637	2.973	0	40	KFAB	
CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1	408939633	TVEUXTSMFHXMAX-QARYAGPDSA-N	566.632	2.757	0	40	KFAB	
COc1cccc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)NCc2ccccc2)c1	409370245	NLGXTADDMTXHAH-PKTZIBPZSA-N	507.495	2.856	0	40	KFAB	
COc1cc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)ccc1OC(C)=O	409371357	WDTHZIMSYRQIDJ-LTDPYFTKSA-N	627.599	2.695	0	40	KFAB	
CCOc1ccc(CCCNC(=O)[C@@H]2CCC(=O)N[C@H](C(C)C)C(=O)N[C@@H](C)COc3ccccc3C(=O)N2)cc1OC	643564971	PXJPPFQLAWYPAY-RPFOIHMYSA-N	596.725	2.759	0	40	KFAB	
Cc1nn(C)c(C)c1CCNC(=O)[C@@H]1CCC(=O)NC2(CCCCC2)C(=O)N[C@H](C(C)C)COc2ccccc2C(=O)N1	643571784	IXEOUVSTWJZLKF-UIOOFZCWSA-N	594.757	2.627	0	40	KFAB	
O=C1N[C@H]2CCN(CC(=O)N3CCCCC3)C[C@H]2CC=CCC2(CCOCC2)C(=O)N[C@@H]1Cc1ccccc1	2037879219	GDWRQWZLMFACHV-KWXIBIRDSA-N	536.717	2.680	0	40	KFAB	
Cc1ccc(-c2nnn(CC(=O)N(c3ccccc3)[C@@H](C(=O)NC[C@@H]3CCCO3)c3ccncc3)n2)o1	903988	LJGPOWPVYYRRCE-XUZZJYLKSA-N	501.547	2.706	0	40	KFAB	
CN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)c2C(N)=O)C1	3006959	MQCRFCWHLQIIPT-UHFFFAOYSA-N	510.641	2.834	0	40	KFAB	
CCOC(=O)CNC(=O)[C@H](c1c[nH]c2ccccc12)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1C	6546923	HAXNEMAMHGGROG-QFIPXVFZSA-N	534.598	2.681	0	40	KFAB	
CCOc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccc(C)o1	6631485	DIENBFODNYDARM-YCRPNKLZSA-N	527.603	2.808	0	40	KFAB	
O=C1NC(=O)[C@]2(Cc3c(nc4ccccn4c3=O)N3CCc4ccccc4[C@@H]32)C(=O)N1CCc1ccccc1	9109334	ROBDMYVWVHBFNT-AYWVHJORSA-N	519.561	2.662	0	40	KFAB	
NS(=O)(=O)c1ccc(NC2=C[C@H](c3ccc(Cl)cc3)N(c3ccc(S(N)(=O)=O)cc3)C2=O)cc1	9466076	DXUMSWVMNKGVAC-OAQYLSRUSA-N	519.004	2.719	0	40	KFAB	
O=S(=O)(Nc1ccc(Cl)cc1)c1ccc(N2CCOCC2)c(NC(=S)NCCN2CCOCC2)c1	17527637	BQPVUNDBXDYENK-UHFFFAOYSA-N	540.111	2.596	0	40	KFAB	
O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O	17546303	QYHCPTYSUXXVHP-UHFFFAOYSA-N	547.973	2.581	0	40	KFAB	
COc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4ccccc4OC)CC3)c(=O)[nH]c2c1	19940442	FISFPXIUHLKKTA-HFZDXXHNSA-N	531.617	2.622	0	40	KFAB	
CO[C@H](/C=C/CC/C=C/C(=O)O)[C@@H](O)[C@@H](C)/C=C(\C)[C@H](O)[C@@H](C)C(=O)CCCC1CC(=O)NC(=O)C1	33991186	HJCZOTBHYAPUHT-YOANEEQVSA-N	507.624	2.711	0	40	KFAB	biogenic,in-vitro
CCCN(C(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	40160062	PWPDMEDYFGRCRP-UHFFFAOYSA-N	522.650	2.568	0	40	KFAB	
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@H](CC(C)C)C(=O)O	70700559	LDVRDOBJIVCDOS-QODFHFCMSA-N	536.629	2.620	0	40	KFAB	biogenic
CC1=C[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2C[C@@H]1n1[nH]c(=O)n(Cc2ccccc2)c1=O	102533800	XIYJHAGDCOPHAY-AABGKKOBSA-N	509.360	2.846	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	223742370	RDLQDYWDAJQOED-MRXNPFEDSA-N	512.028	2.677	0	40	KFAB	
C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Br)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	224140226	ORTCGSKCOCLDBD-HNNXBMFYSA-N	536.448	2.926	0	40	KFAB	
CCc1ccc(N([C@@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)cc1	224408430	JXJALULZPMAGCY-FQEVSTJZSA-N	537.704	2.773	0	40	KFAB	
CC1CCN(S(=O)(=O)c2ccc(OCC(=O)NCCc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)CC1	226086908	SLMULGYAXRILKO-UHFFFAOYSA-N	549.715	2.629	0	40	KFAB	
C[C@H](O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H](O)CCCCCCCCCCCCCCCC[C@H](O)[C@@H](C)N	253529549	FZSYYVOKNJZJTF-OBEMGJJKSA-N	535.763	2.502	0	40	KFAB	biogenic,in-vitro
C[C@@]1(O)CC2(CCN(C(=O)c3ccc4nc(C(F)(F)F)[nH]c4c3)CC2)OC[C@H]1n1cnc2c(N)ncnc21	257329116	XINVWMSUAAYAHK-OPAMFIHVSA-N	530.511	2.691	0	40	KFAB	
COC(=O)[C@@H](CCCCN(OC)C(=O)CC(=O)OCc1ccccc1)N(OC)C(=O)CC(=O)OCc1ccccc1	263583766	ZTOYLOLDQMZTNA-XMMPIXPASA-N	572.611	2.745	0	40	KFAB	
COC(=O)CN1C(=O)N/C(=C/c2cc(OC)c(OCC(=O)Nc3ccc(C)cc3)cc2Br)C1=O	408549728	XTUHXELPUFBIJV-CAOOACKPSA-N	532.347	2.849	0	40	KFAB	
CCCOc1ccccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(C(=O)O)cc3)c(=O)n21	409020032	YRJDCACCNIHWGH-KZVLXBEFSA-N	536.606	2.912	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)ccc3OC)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409033100	DLOUVCMDIBTATE-JYXZFHPPSA-N	596.658	2.766	0	40	KFAB	
CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3ccc(OCC(=O)OC)c(I)c3)c2=O)=N1	409047891	VCKYNTOSEGDECD-JPFXZVHCSA-N	618.449	2.955	0	40	KFAB	
CCOc1cccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)c1OCC(=O)O	409202999	VNQCXOBEKBAJFN-LSCVHKIXSA-N	500.485	2.952	0	40	KFAB	
CC(=O)c1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](NC(=O)C4CCN(c5nccc(C(F)(F)F)n5)CC4)CO[C@H]23)cc1	4259153	GAALFFTTWNCOLJ-YVNJGZBMSA-N	563.533	2.814	0	40	KFAB	biogenic,in-vitro
COc1cc([C@H](C(=O)NCCC(C)C)N(C(=O)c2snc(C(N)=O)c2N)C2CCCC2)ccc1O	6134105	SYWMFBUILUUETQ-HXUWFJFHSA-N	503.625	2.827	0	40	KFAB	
Cc1cc(=O)oc2cc(OCC(=O)OCC(=O)Nc3cccc(S(=O)(=O)N4CCCCC4)c3)ccc12	12311547	ASEWDESFHRVWLQ-UHFFFAOYSA-N	514.556	2.837	0	40	KFAB	
Cc1ccc(NC(=O)[C@H](C)OC(=O)c2nc(Cl)ccc2Cl)cc1S(=O)(=O)N1CCOCC1	32638799	PNTIVPZNWJMFDG-ZDUSSCGKSA-N	502.376	2.902	0	40	KFAB	
COc1cccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(Cc2cccs2)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1	33356888	SIXLIFWDGWPYSE-LVXARBLLSA-N	583.688	2.967	0	40	KFAB	
CC(=O)Nc1ccc(S(=O)(=O)N(C)C[C@@H](O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	102415496	CJMCIBOCKSWELI-HSZRJFAPSA-N	549.646	2.969	0	40	KFAB	
C[C@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)C1=O	102896104	SGAURDRFRVDAKT-AREMUKBSSA-N	559.019	2.932	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	222467108	OLXMYTXHPXHYIO-DYESRHJHSA-N	501.605	2.562	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	223228635	GDEAOIDZGSLNDO-CVEARBPZSA-N	536.448	2.926	0	40	KFAB	
COC(=O)C1=C(C)N=c2sc(=Cc3c(F)cccc3Cl)c(=O)n2[C@@H]1c1ccc(C(=O)OC)cc1	254748740	FZZSREYQDOPWJP-HXUWFJFHSA-N	500.935	2.987	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)[C@H](C)C(=O)NC2CCCC2)cc1	260761381	DGBYLTCDQVLGKD-LJQANCHMSA-N	534.654	2.923	0	40	KFAB	
COc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc(I)c1OCc1ccc(C(=O)O)cc1	408593811	RNJYVVHHHIKEBR-VIZOYTHASA-N	552.277	2.554	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCCC4)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	409162270	ZGGHVUZCIOFWMR-STEKTNRRSA-N	591.686	2.817	0	40	KFAB	
O=C(CN1CCC2(CCCCc3ccccc3OCCNC2=O)CC1)NC[C@H](c1cccnc1)N1CCOCC1	643558959	XKGIJYQUNPQKEX-HHHXNRCGSA-N	549.716	2.575	0	40	KFAB	
Nn1c(Cc2ccccc2F)nnc1SCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1	3365038	NLOWHBPIONTIHB-UHFFFAOYSA-N	540.646	2.500	0	40	KFAB	
CC(=O)Cc1cc(=O)n([C@@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)c(=O)[nH]1	5385846	CVWRDQTZUVUBPC-ODZKJMSWSA-N	612.591	2.874	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)Cc2ccccc2)cc1C	59837917	MAHXZQCRYMFSPS-UHFFFAOYSA-N	545.683	2.761	0	40	KFAB	
CCCN(C(=O)COC(=O)COc1ccc(Cl)cc1Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	97982424	OAJPJEHWVDBGBV-UHFFFAOYSA-N	535.384	2.839	0	40	KFAB	
COc1cc([C@H](Nc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)C(=O)NC[C@H]2CCCO2)cc(OC)c1OC	100353832	LAZTWJYUGPHMKS-CZSZKKDXSA-N	563.673	2.618	0	40	KFAB	
O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(Cc2ccccc2)CC1)Nc1ccc(Oc2ccccc2)cc1	101264721	IWWDWGFUIDEIHJ-MUUNZHRXSA-N	541.652	2.952	0	40	KFAB	
CCCOc1ccccc1N1C(=O)C[C@H](N2CCN([C@@H]3CC(=O)N(c4ccccc4OCCC)C3=O)CC2)C1=O	102988207	YZKKHRFYPZDYBA-PSWAGMNNSA-N	548.640	2.846	0	40	KFAB	
CC[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O	224256299	OXTWWZGSNWGCLN-FQEVSTJZSA-N	552.502	2.984	0	40	KFAB	
COc1ccc([C@H](CC(=O)N2C[C@H](C(=O)NCCc3ccccc3)Oc3ccccc32)NS(C)(=O)=O)cc1	225953612	LVJCGBWJYHNGAC-JYFHCDHNSA-N	537.638	2.829	0	40	KFAB	
CN(C)c1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]2[C@H]2C[C@H]3[C@@H]3C(=O)N(CCCC(=O)O)C(=O)[C@@H]23)cc1	245228807	FWPPYSXVNCBZKQ-FPZVQRFMSA-N	513.641	2.841	0	40	KFAB	
C[C@]1(O)CN(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC[C@@H]1Oc1cccc(F)c1	257225408	FGBRCHWGWPEDIG-ZCYQVOJMSA-N	505.612	2.843	0	40	KFAB	
COc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1OC	260913226	YSKSXLHRSOIXOH-QGZVFWFLSA-N	509.600	2.551	0	40	KFAB	
COc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1OC	261017111	HTAOCWWIQJUPJP-QGZVFWFLSA-N	523.627	2.941	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(C(=O)OC)cc(C(=O)OC)c3)CC2)cc1	408583753	JRYKAPOPOCFJJF-UHFFFAOYSA-N	504.561	2.698	0	40	KFAB	
CN1CCN(C(=O)CCN2CCN(c3ccccn3)CC2)CCOc2ccccc2Oc2ncccc2C1=O	643567322	YSRHRSNGKHLQML-UHFFFAOYSA-N	530.629	2.774	0	40	KFAB	
Cc1ccc2nc3c(cc(C(=O)Nc4ccc(S(=O)(=O)Nc5nc(C)cc(C)n5)cc4)n3C)c(=O)n2c1	2438813	QJRSZOUJOWHTLX-UHFFFAOYSA-N	517.571	2.955	0	40	KFAB	
O=C1C[C@@H]2C(=O)N(Cc3ccccc3)[C@H]1[C@@H](S(=O)(=O)c1ccccc1)[C@@H]2S(=O)(=O)c1ccccc1	5886262	UOFCHJLYOPATKG-KVZCNWPJSA-N	509.605	2.671	0	40	KFAB	
COc1ccccc1NC(=O)c1ccc(NC(=O)CN2CCN(S(=O)(=O)c3cccs3)CC2)cc1	35515126	IEAHDTSCGZDYBK-UHFFFAOYSA-N	514.629	2.954	0	40	KFAB	
CCOC(=O)c1ccc(S(=O)(=O)N2CCN([C@@H]3CC(=O)N(c4ccccc4C(F)(F)F)C3=O)CC2)cc1	38145205	CPOHQDMMOGOKHH-HXUWFJFHSA-N	539.532	2.521	0	40	KFAB	
CCOC(=O)C1=C(C)C2[C@H]3C(=O)N(c4ccc(OC(C)=O)cc4)C(=O)[C@@H]3C1(C)[C@@H]1C(=O)N(c3ccc(OC(C)=O)cc3)C(=O)[C@H]21	68581376	KZOLWLNXXNOVAL-BNUOZGHMSA-N	614.607	2.978	0	40	KFAB	
CC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4[C@H](OC(C)=O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](OC(C)=O)[C@@H]1OC(C)=O	85902215	DLOMXAWRMLVFKA-YGJODVDNSA-N	720.809	2.825	0	40	KFAB	biogenic
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN(c3ccc(OCc4ccccc4)cc3)S(C)(=O)=O)CC2)cc1	100077003	URSSBHGWOTYTAM-UHFFFAOYSA-N	557.694	2.873	0	40	KFAB	
COc1cc(CCNS(C)(=O)=O)c(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1OC	102451122	QKRJNYULCZWTEY-UHFFFAOYSA-N	573.737	2.891	0	40	KFAB	
Cn1cc(S(=O)(=O)N2CCN(C(=O)c3ccc(NC(=O)c4cc(Cl)cc(Cl)c4)cc3O)CC2)cc1C(N)=O	102799108	RWPTVZICMAZIPV-UHFFFAOYSA-N	580.450	2.535	0	40	KFAB	
CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc(I)c1OCC	214661460	DGSVXVGBHOEJTD-LFIBNONCSA-N	546.383	2.984	0	40	KFAB	
O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1	215945346	LEZLHKLRSFNOFD-UHFFFAOYSA-N	533.607	2.597	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	222619403	NRUHPLMFUFXBDR-QFIPXVFZSA-N	570.465	2.980	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1	223070564	IBSFDRDYEKXQHK-QGZVFWFLSA-N	510.454	2.931	0	40	KFAB	
CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	223622885	NCNVVDDOFURLSB-NRFANRHFSA-N	515.632	2.952	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)c2ccc(C)cc2)cc1OC	224211355	RTTOQILNTDZBDC-UHFFFAOYSA-N	591.708	2.653	0	40	KFAB	
COc1ccc(NS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)cc1S(=O)(=O)N1CCCCC1	225080784	PLPRKDLBCPTWSO-UHFFFAOYSA-N	537.645	2.774	0	40	KFAB	
S=C(NCCN1CCOCC1)Nc1nc(N2CCN(c3ccccc3)CC2)cc(N2CCN(c3ccccc3)CC2)n1	225904728	WNEPNSBJKQGHQT-UHFFFAOYSA-N	587.798	2.748	0	40	KFAB	
CN1CCN(C(=O)C[C@]2(COc3ccccc3)CCCN(S(=O)(=O)c3ccc(F)cc3F)C2)CC1	257344531	ZXSCQCZANJBDAU-RUZDIDTESA-N	507.603	2.979	0	40	KFAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(CC)c4ccccc43)c(=O)n2[C@H]1c1ccccc1OC	409162416	VDRWAUJFYJORHK-MYXKAAJQSA-N	530.650	2.849	0	40	KFAB	
CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C3\C(=O)N(CC(=O)OCC)c4ccccc43)c2=O)=N1	409391044	XPODWLIEBQIRJI-CQGAXIHLSA-N	619.696	2.876	0	40	KFAB	
CCCOc1ccc(Cc2nn3c(=O)/c(=C/c4ccc(OC(C)=O)c(OCC)c4)sc3nc2=O)cc1	2211517	QULIWYUTTWLILZ-HAHDFKILSA-N	507.568	2.763	0	40	KFAB	
COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2OC)cc1	7059037	KHMMBGKDIHPPEQ-JTSKRJEESA-N	539.614	2.525	0	40	KFAB	
CCCNS(=O)(=O)c1ccc(CCC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1	20033017	MAHBMPKNODEGOW-UHFFFAOYSA-N	507.678	2.799	0	40	KFAB	
COc1ccc(-n2c(SCC(=O)NC[C@@H]3CCCO3)nc3sc4c(c3c2=O)CCN(C)C4)cc1	20436010	CBIPUSCUCBLNNV-KRWDZBQOSA-N	500.646	2.831	0	40	KFAB	
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	34199141	NGMYNFJANBHLKA-XAPMVYOVSA-N	514.527	2.595	0	40	KFAB	biogenic,in-vivo
CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O	70704670	HVHVKUFUIIQCAU-FLXBVFITSA-N	570.646	2.817	0	40	KFAB	biogenic
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3C)OCO4)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	96190218	JHUPRZUSAHOVJI-DKOMQPSQSA-N	522.579	2.853	0	40	KFAB	
COC(=O)Cn1c(=O)c(C(=O)CSc2ncc(C(F)(F)F)cc2Cl)c(N)n(Cc2ccccc2)c1=O	103126205	YVFOSZPOVALRSV-UHFFFAOYSA-N	542.923	2.856	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	222581776	KRQMGZXRZLXAQO-RUZDIDTESA-N	544.624	2.964	0	40	KFAB	
COc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c(OC)c1	224186455	TWPSHZGHNYWFNC-FQEVSTJZSA-N	519.664	2.968	0	40	KFAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C3/C(=O)Nc4ccc(C)cc43)c(=O)n2[C@H]1c1cc(OC)ccc1OC	409116447	LYCXFJGQQJPXRG-NXLSWJSLSA-N	546.649	2.752	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCCC4)c(OC)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	409163314	PNHJBCWETLEUDW-GVZDMDPYSA-N	605.669	2.537	0	40	KFAB	
COc1cccc(-c2ccc3c(c2)OCCC2(CCN(CC4CC4)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2S3(=O)=O)c1	1548890475	QBTBCOUBUJYKCR-NOZRDPDXSA-N	555.697	2.629	0	40	KFAB	
CCS[C@@H]1[C@@H](OC(C)=O)[C@H]([C@@H](COC(C)=O)OC(C)=O)O[C@@H]1n1cnc2c(Cl)nc(Cl)nc21	5120791	ZHGZDYNKUOXKLU-PBCCLZPWSA-N	521.379	2.579	0	40	KFAB	
CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)C(=O)N[C@H](CCC(=O)OCc1ccccc1)C(N)=O	6075219	UECOVOLGPHUWDG-DHIUTWEWSA-N	555.628	2.897	0	40	KFAB	
O=C(NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1	8693837	PQZUCIXTZWKEEW-UYRXBGFRSA-N	554.021	2.966	0	40	KFAB	
CC(C)CN(C(=O)CSc1ncnc2c1cnn2-c1ccccc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	12690753	HURSYCYTSLNWPP-UHFFFAOYSA-N	522.635	2.685	0	40	KFAB	
COCCN(CC(=O)Nc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2C)cc1	33937211	GRJOQYJANYNCFS-XXBNENTESA-N	523.677	2.819	0	40	KFAB	
NC(=O)c1nsc(C(=O)N(Cc2ccccc2F)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)c1N	38145871	VOKHBGDMCZTOPF-DYESRHJHSA-N	529.569	2.781	0	40	KFAB	
CCCCn1c(CCC(=O)OCC(=O)Nc2ccc(NC(C)=O)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	103061001	GCVAHVUFDRLNBA-UHFFFAOYSA-N	585.683	2.930	0	40	KFAB	
NS(=O)(=O)c1ccc(NC(=O)COC(=O)C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)c2ccc(F)cc2)cc1	103118464	UXFBQLZFTDOVML-OAQYLSRUSA-N	570.020	2.718	0	40	KFAB	
COc1cc(NC(=O)c2ccco2)c(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1OC	104573466	KXUCQEQHWICYKW-UHFFFAOYSA-N	531.543	2.595	0	40	KFAB	
Cc1ccccc1N(CC(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)S(=O)(=O)c1ccccc1	224201887	YCYBEFQSXCYQJT-UHFFFAOYSA-N	531.656	2.636	0	40	KFAB	
CSc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)cc1C(=O)N1CCCCC1	224239183	ZNEHMSJUOHZUTB-UHFFFAOYSA-N	541.717	2.642	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C)cc1	224464224	DTUPQJORALCPSA-IBGZPJMESA-N	505.637	2.659	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	225061641	ZNBOBYIYBQOAEH-LJQANCHMSA-N	503.621	2.557	0	40	KFAB	
COCc1cn([C@@H]2CC[C@H]3CCOc4ccccc4C(=O)N4CCN(Cc5ccsc5)C[C@H]4C(=O)NC[C@H]2O3)nn1	253403968	QSXWPEBOBBLWLW-CFJXPYFLSA-N	580.711	2.500	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCC2)c1	260769561	HPBLARMJYRIYFT-LJQANCHMSA-N	547.674	2.955	0	40	KFAB	
Cn1c(=O)n(C)c2cc(NC(=O)CSc3nnc(CN4CCOCC4)n3-c3ccc(Cl)cc3)ccc21	408543409	OVSGGSNBDMEMDW-UHFFFAOYSA-N	528.038	2.674	0	40	KFAB	
O=C1COc2ccccc2C[C@H](O)[C@H](O)CC2(CCN(C(=O)c3ccccc3OCCCN3CCCC3)CC2)CN1	643566538	RSPDOAQCMIHFAU-RRPNLBNLSA-N	565.711	2.637	0	40	KFAB	
CN1CC(=O)N(C)[C@H](Cc2ccccc2)COc2ccccc2C(=O)N[C@H](C(=O)NCc2ccc(CN3CCCC3=O)cc2)CCC1=O	643569899	VAPYQQZUXKSHPP-VEEOACQBSA-N	653.780	2.925	0	40	KFAB	
CC(C)[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)N2CCC(CCc3ccccc3F)CC2)CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1	643572127	PFDYJOWRXDVTKC-DTXPUJKBSA-N	679.838	2.857	0	40	KFAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N(C)CCOc2ccccc2OC)CC(=O)N[C@@H](Cc2ccccc2)C1=O	643579325	YOGUWWWIZMRBRY-SVBPBHIXSA-N	616.715	2.690	0	40	KFAB	
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	1079928303	KBZJWPGSJWUHPT-ATKKCZBQSA-N	520.619	2.588	0	40	KFAB	biogenic
COc1ccc(N(CC(=O)NC2CCCCC2)C(=O)C[S@@](=O)CC(=O)Nc2ccc3c(c2)OCO3)cc1	6973653	MAZNUCSTBQECAD-DIPNUNPCSA-N	529.615	2.593	0	40	KFAB	
CN(C1CCCCC1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3F)CC2)cc1	8763162	QMDSUZOAQMNIKS-UHFFFAOYSA-N	523.652	2.926	0	40	KFAB	
CCN(c1ccc(NC(=O)COC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1)C(C)C	12564430	CXAGNBNJUFIHCU-UHFFFAOYSA-N	507.584	2.877	0	40	KFAB	
CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc(C(F)(F)F)c1	19856531	OYBVSFPIQZNEDG-UHFFFAOYSA-N	505.540	2.895	0	40	KFAB	
COc1ccc(Br)cc1CN(C)C(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1	38145206	GLGZHZQMRGYVFJ-UHFFFAOYSA-N	527.437	2.688	0	40	KFAB	
COCCNC(=O)c1ccc(Cn2c(SCC(=O)NC[C@H]3CCCO3)nc3ccc(Br)cc3c2=O)cc1	38150014	OZTATCINDOFNLR-HXUWFJFHSA-N	589.512	2.971	0	40	KFAB	
CC[C@H](c1nnnn1CCOC)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3	100370785	ZKHZNUKJEYNYQZ-OAQYLSRUSA-N	534.573	2.814	0	40	KFAB	
CCOC(=O)C1=C(COC(=O)c2ccccc2NS(=O)(=O)c2ccc(Br)s2)NC(=O)N[C@@H]1C	103101846	QKAOWXWIYQZPFU-LLVKDONJSA-N	558.432	2.987	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O	222851544	LVJCYPXUOHJGPT-AWEZNQCLSA-N	502.420	2.931	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O	223052372	YUEHDFNXTUHOKH-OAHLLOKOSA-N	514.417	2.908	0	40	KFAB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1CCCN1CCOCC1	223135585	DKVKVEMYMFSVPG-FTJBHMTQSA-N	512.724	2.527	0	40	KFAB	
COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)N([C@H](C(=O)O)C(C)C)C(=O)[C@@H]54)[C@H]23)ccc1O	245241433	DNCGAAGWWHHLHQ-JJLXNONFSA-N	530.624	2.733	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	260874834	BIKNGNURCDIDKZ-PMACEKPBSA-N	506.644	2.813	0	40	KFAB	
CCOC(=O)N1CCN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(Cl)ccc2OC)CC1	408636305	NVMWFXFPMYRJLC-UHFFFAOYSA-N	510.012	2.840	0	40	KFAB	
COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(S(N)(=O)=O)cc3)c(Cl)c2)cc1	408636452	QIXINMPMHXFLJB-UHFFFAOYSA-N	525.992	2.814	0	40	KFAB	
CCOc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(Br)cc3)C2)cc1	408658831	RNRAJWJPVUSBDO-OAHLLOKOSA-N	504.337	2.523	0	40	KFAB	
COc1cccc(-c2ccc3c(c2)O[C@H]2CN(C(=O)Nc4ccc(F)cc4)C[C@H]2N(C)C[C@@H](O)CNS3(=O)=O)c1	1534612672	JSHXNJUOFILEBZ-FBILRYNDSA-N	570.643	2.750	0	40	KFAB	
COc1ccccc1CN1CCC2(CCOc3cc(-c4cccnc4)ccc3S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)N2)CC1	1548890511	RBDFAGPJQALZHW-FTJBHMTQSA-N	592.718	2.815	0	40	KFAB	
CC(C)=CCC[C@]1(C)Oc2cc3c(c4c2[C@H]2[C@@H]1CC[C@@](O)(CO)[C@H]2O4)CN([C@@H](CCC(=O)O)C(=O)O)C3=O	1772591715	LYIIXCDZJCVBSC-YTNWWPQKSA-N	529.586	2.836	0	40	KFAB	
CN1CC2(CCN(C(=O)Cc3c(F)cccc3Cl)CC2)C[C@@H](O)[C@@H](O)Cc2ccccc2OCC1=O	2037946871	KZGGUDWWCYGAKC-XZOQPEGZSA-N	519.013	2.836	0	40	KFAB	
COC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2c1CCN(C(C)C)C2	3007138	HHSBKACXRZIESS-UHFFFAOYSA-N	507.634	2.574	0	40	KFAB	
CCOc1ccc([C@H](C(=O)NC2CCCC2)N(CCCO)C(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1	6601551	WAVUONPVMAOXPE-RUZDIDTESA-N	524.597	2.889	0	40	KFAB	
C[C@H]1CCc2c(sc3nc(SCC(=O)N[C@H]4CCS(=O)(=O)C4)n(-c4ccccc4)c(=O)c23)C1	9003927	JWIGEQIKEZAQMW-GJZGRUSLSA-N	503.671	2.967	0	40	KFAB	
CCOC(=O)N1CCN(C(=O)c2c(F)c(F)c3c(c2F)N(CCc2ccccc2)CCS3(=O)=O)CC1	12324497	AYVDNAICKAQRER-UHFFFAOYSA-N	525.549	2.855	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O	20455682	XVRLIZNKMCTAGG-HNNXBMFYSA-N	516.041	2.926	0	40	KFAB	
COc1cc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)ccc1OCC(=O)N1CCOCC1	32963942	BSUMJQRWVONGSW-UHFFFAOYSA-N	507.509	2.914	0	40	KFAB	
NS(=O)(=O)c1ccc(N(C(=O)Cn2nnc(-c3ccccc3)n2)[C@H](C(=O)NC2CCCCC2)c2ccco2)cc1	100285499	FBVAREYGWXBIEF-VWLOTQADSA-N	563.640	2.804	0	40	KFAB	
CCOC(=O)C1=c2s/c(=C\c3ccccc3OC)c(=O)n2C(N)=C(S(=O)(=O)c2ccccc2)[C@H]1c1ccccc1OC	102633369	AUIPBZVXOGDRFW-IEUUHXEXSA-N	604.706	2.826	0	40	KFAB	
COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1C(=O)N1CCCCC1	215912759	YJLACRRITWMONR-UHFFFAOYSA-N	531.616	2.713	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O	222804832	RNRYGHYRGFQGEI-AWEZNQCLSA-N	502.420	2.931	0	40	KFAB	
CC(C)OCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222857614	YZFLUBUUPSZCDZ-QFIPXVFZSA-N	579.691	2.574	0	40	KFAB	
CS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	224458257	HGPVAURKDXZWOL-UHFFFAOYSA-N	591.683	2.622	0	40	KFAB	
Cc1cccc(CN(C(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)[C@H](C)C(=O)NC(C)(C)C)c1	260993510	QIGPDABSFBHJPL-GOSISDBHSA-N	503.621	2.822	0	40	KFAB	
CCOc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)ccc1OCC(=O)OC	409041862	VYQSDPBPMIABKK-BQKWAYIGSA-N	536.606	2.749	0	40	KFAB	
CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OC)n2c(s/c(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)c2=O)=N1	409171086	YRZOJLQZUFMBDV-NLTKXKDSSA-N	605.713	2.825	0	40	KFAB	
O=C1C[C@@H](C(=O)NCCCc2ccccc2)NC(=O)c2ccccc2OC[C@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)N1	643566622	VMMHVQBADQBPJO-IGBKUBFESA-N	598.700	2.741	0	40	KFAB	
CC(C)C[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCc2ccc(CN3CCOCC3)cc2)CCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N(C)CC(=O)N1	643571781	IWEFHSNVMSFHKB-PUBVIUOISA-N	770.928	2.529	0	40	KFAB	
CC(C)C[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCc2cccc(CN3CCOCC3)c2)CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)CC(=O)N1	643572338	UYTNMZOAZYTUEM-QBDOPFNQSA-N	754.929	2.823	0	40	KFAB	
CCOc1ccccc1NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)o1	3427504	GZCXTGBXVKAJGO-UHFFFAOYSA-N	504.590	2.887	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)c1ccc(OCc2c(C)noc2C)cc1	8692540	XKYYOVOOTRLDLH-UHFFFAOYSA-N	543.598	2.995	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1	12529601	FSVAURRCSKWQKX-JOCHJYFZSA-N	525.583	2.515	0	40	KFAB	
COc1cn(CC(=O)Nc2cccc(NC(C)=O)c2)c(CN2CCN(c3ccc(F)cc3)CC2)cc1=O	16890562	LDOQTONAYTZIEV-UHFFFAOYSA-N	507.566	2.915	0	40	KFAB	
CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)Nc3nnc(C(F)(F)F)s3)CC2)cc1	16956156	JFJLERGMIYDYOO-UHFFFAOYSA-N	519.571	2.932	0	40	KFAB	
Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1OCC(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1	20032815	WSXSCJBLVDDLBS-UHFFFAOYSA-N	517.629	2.741	0	40	KFAB	
COc1ccc(OC)c(C[C@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)c1	100468841	SNZMZZAPESXVQO-NRFANRHFSA-N	557.591	2.739	0	40	KFAB	
COc1ccc(NS(=O)(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2)cc1	102972522	FBPVMSNWZSGVAD-UHFFFAOYSA-N	581.694	2.626	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	222527801	JPJAFPHDQROPCG-DYESRHJHSA-N	501.605	2.562	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	222664319	NWRHEBIDORLEBA-CQSZACIVSA-N	530.430	2.694	0	40	KFAB	
COc1ccc(CN(C(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C)C(=O)NCC(C)C)cc1	224477387	DUMXHPNYSUNNIR-IBGZPJMESA-N	515.632	2.809	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O	225480500	FWQZPMYWXNGHFH-AWEZNQCLSA-N	500.390	2.518	0	40	KFAB	
CC(=O)N[C@@H]1CC(=O)[C@]23C(=O)N[C@H](Cc4c[nH]c5ccccc45)[C@@H]2C(C)=C(C)[C@H](O)[C@@H]3/C=C/C[C@H](C)/C=C(/C)[C@H](O)[C@@H]1O	252514964	FOADMCJCIRJHTO-AFFDWVSMSA-N	589.733	2.867	0	40	KFAB	biogenic,in-vitro
NS(=O)(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)cc1	408584451	PVLZOUIBRITOSR-FQEVSTJZSA-N	538.445	2.625	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1	409150295	BGLHBGJCEKANMT-FOOGSPQISA-N	686.581	2.816	0	40	KFAB	
CCOC(=O)COc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1I	409217687	RMAWICIYMDHKHY-LICLKQGHSA-N	567.311	2.904	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CN(S(=O)(=O)c3ccc(C)cc3)CN(S(=O)(=O)c3ccc(C)cc3)C2)cc1	1735757	ONEFRDOTLMHMQA-UHFFFAOYSA-N	549.696	2.870	0	40	KFAB	
CCOC(=O)/C=c1\s/c(=C\c2ccccc2OC(F)F)c(=O)n1CC(=O)NC1CCCCCCC1	12632590	IHETUYCUJSKIQO-MVQASTMRSA-N	508.587	2.913	0	40	KFAB	
O=C1NC(=O)[C@@]2(Cc3c(nc4ccccn4c3=O)N3CCCCC[C@@H]32)C(=O)N1Cc1ccccc1Cl	13811673	ZQLAGGCXZCOZRF-BCHFMIIMSA-N	505.962	2.918	0	40	KFAB	
COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)C1	59838809	IFJLYPJGDWPYQU-IBGZPJMESA-N	556.106	2.850	0	40	KFAB	
COc1ccc(CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C(=O)NC[C@H]2CCCO2)c2cccs2)cc1	100377957	BWHNATNAZOTYGH-QFQXNSOFSA-N	583.688	2.967	0	40	KFAB	
CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(S(N)(=O)=O)ccc3n2CC(=O)OC)cc1	100876833	IQFUIRVPNXTNNG-RFBIWTDZSA-N	596.753	2.855	0	40	KFAB	
C[C@@H](C(=O)NCCCO)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1	222797329	NVPBCISNTMAMGV-FQEVSTJZSA-N	536.094	2.973	0	40	KFAB	
COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)C1	260749145	SYQLRQLBFVHFQL-SFHVURJKSA-N	509.650	2.602	0	40	KFAB	
COc1ccc(N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c(OC)c1	260790108	NDQDSUIZUGARKO-LJQANCHMSA-N	519.664	2.844	0	40	KFAB	
O=C(NC1CCCCCC1)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	409028399	NFSXQZNMIQXOSH-HSZRJFAPSA-N	505.662	2.589	0	40	KFAB	
COCC(=O)N1CCCN(C)CCN(S(=O)(=O)c2cc(Cl)c(OC)cc2OC)Cc2ccccc21	643558038	HOEHKDQSTHUSDQ-UHFFFAOYSA-N	526.055	2.863	0	40	KFAB	
Cc1ccc(OCCNC(=O)[C@@H]2CC(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)CCOc3ccccc3C(=O)N2)c(C)c1	643579010	NRUFTHCIDFBRCG-SVBPBHIXSA-N	586.689	2.565	0	40	KFAB	
CC(C)C[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCc2cccnc2)CC(=O)N[C@H](CC(C)C)C(=O)N1C	643584492	OKVVUVXKNXRQJE-ZKMPZPQNSA-N	551.688	2.683	0	40	KFAB	
O=C(CN1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1)N1CCN(C2CCCCC2)CC1	1889098076	HMBALLNLPCWJSF-UHFFFAOYSA-N	517.674	2.530	0	40	KFAB	
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C(N)=O)CCCCC4)cc2)CC1	4177328	RVZFFYPFGPNZGO-UHFFFAOYSA-N	534.660	2.831	0	40	KFAB	
COC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H]1CN(C(=O)Nc2ccccc2)CCN1S(=O)(=O)c1ccccc1	4277840	YUBBBXMHGBQODF-IZZNHLLZSA-N	580.663	2.503	0	40	KFAB	biogenic,in-vitro
CCOc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(C)o2)cc1	6601063	RRCFKQVSMWFYKP-DYESRHJHSA-N	527.603	2.808	0	40	KFAB	
CCOc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc3c(c2)OCCO3)cc1	6601722	CUNJRTCPXSPQHY-NTKDMRAZSA-N	581.651	2.677	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCOCC4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	8451561	ALXHGKAUUJJKKY-UQTDQPHJSA-N	553.637	2.635	0	40	KFAB	
NS(=O)(=O)c1ccc(CNC(=O)CCc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)cc1	20033138	HOLLKSHLAXZDFN-UHFFFAOYSA-N	513.641	2.725	0	40	KFAB	
O=c1[nH]c2cc3c(cc2cc1CN(Cc1nnnn1CCc1ccccc1)C[C@H]1CCCO1)OCCO3	57640540	UMBKMWHKCKYMDC-JOCHJYFZSA-N	502.575	2.710	0	40	KFAB	
CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@H](Cc1ccccc1)C(=O)O	70704944	HVHVKUFUIIQCAU-UBQPIHBDSA-N	570.646	2.817	0	40	KFAB	biogenic
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCC(N(C)C)CC4)o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	105497747	MOVYVAIFUJGTTO-VEOZPNHKSA-N	580.707	2.939	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	222920767	LJNSUXGJZOKPGY-INIZCTEOSA-N	510.012	2.778	0	40	KFAB	
COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)[C@@H](C)C(=O)NCCCO)cc1	222940337	UDMYVUDTRVKWTO-FQEVSTJZSA-N	573.643	2.930	0	40	KFAB	
COc1ccc(CNC(=O)[C@H](Cc2ccccc2)N(Cc2ccccc2)C(=O)CN(C)S(C)(=O)=O)cc1	223042733	HOBPQGMAKNJGTK-SANMLTNESA-N	523.655	2.843	0	40	KFAB	
CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	223122988	UEMRKIYMEJSHGZ-IBGZPJMESA-N	512.028	2.677	0	40	KFAB	
Cc1c(CCC(=O)N2CC[C@H](Oc3ccc(Cl)cc3)[C@@H](CC(=O)N3CCN(C)CC3)C2)cnn1C	257310998	UHMNHEUZTBIIDT-URXFXBBRSA-N	502.059	2.775	0	40	KFAB	
COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@](COc3ccccc3)(CC(=O)N3CCOCC3)C2)c1	257325694	WUBKQOSSBLXVPF-AREMUKBSSA-N	518.632	2.803	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)[C@H](C)C(=O)NC(C)(C)C)c1	260748662	CACPMYGMHFNBQJ-GOSISDBHSA-N	533.647	2.564	0	40	KFAB	
CCOc1ccc(N([C@H](CC)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)cc1	260890960	VXSOZMISQCRSDP-XMMPIXPASA-N	553.703	2.610	0	40	KFAB	
CCOC(=O)c1ccc(NC(=O)CSc2nnc([C@@H](CO)NC(=O)c3ccc(OC)cc3)n2CC)cc1	408597028	YTLNZQCTMUEHGE-HXUWFJFHSA-N	527.603	2.678	0	40	KFAB	
CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1OCC	409148489	YZSPBIGSBRXNPL-GZTJUZNOSA-N	512.968	2.576	0	40	KFAB	
COc1c2c(c(C)c3c1[C@H](OC(C)=O)[C@@H]1[C@](C)(C[C@H](O)[C@@]4(O)C(C)(C)OC(=O)CC[C@]14C)O3)COC2=O	1772591539	DPTMJUCCXFJMTQ-UKSCWGNQSA-N	518.559	2.663	0	40	KFAB	
COc1ccc(C[C@]2(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)C(=O)NC(=O)N(c3ccccc3)C2=O)cc1	2144578	NOFRXDKMBYNGSB-DGIFUFQNSA-N	526.593	2.788	0	40	KFAB	biogenic
COC[C@H](C)n1c(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)nc2ccccc2c1=O	3453432	BRJLIOTVDIVNDI-ROUUACIJSA-N	546.671	2.744	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)/C=C/c3ccc(Br)o3)CC2)c(C)c1	14358960	JZPJKRKRJYPYRU-VMPITWQZSA-N	511.394	2.748	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@H](C(=O)NC3CCCC3)c3ccc(C)o3)n2)cc1	17376575	QYARZVQBYMZCMB-MHZLTWQESA-N	565.675	2.601	0	40	KFAB	
C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	62656887	GQBMPWUNNZTQRN-HNNXBMFYSA-N	510.410	2.554	0	40	KFAB	
O=C(CCCN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	96019401	DAQBAEINQIPIGV-UHFFFAOYSA-N	589.567	2.613	0	40	KFAB	
CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(S(N)(=O)=O)ccc3n2CCOC)cc1	100873038	HHFPUQZWEYIXBP-SGEDCAFJSA-N	588.733	2.949	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CC(=O)NC[C@@H]2COc3ccccc3O2)c2ccc(F)cc2)cc1OC	225248503	LIXOBTZCPKDYEX-LJQANCHMSA-N	516.547	2.994	0	40	KFAB	
CC(C)CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	225702353	QLHCVUPRKHRPGR-MRXNPFEDSA-N	536.448	2.783	0	40	KFAB	
COC(=O)[C@]1(CCSC)N[C@H](c2ccc(F)cc2)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21	245229643	CITAGPGHBLMFIZ-FBROZUCGSA-N	500.548	2.712	0	40	KFAB	
O=C(Nc1ncnc2c1ncn2[C@@H]1C[C@@H](NC(=O)OCc2ccccc2)[C@H](O)[C@H]1O)OCc1ccccc1	257224448	FBWKHYNNPZNTGX-WKDRNLAYSA-N	518.530	2.537	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	260947792	JMFRSNBCYXNINQ-UXHICEINSA-N	519.664	2.844	0	40	KFAB	
CC(C)COC(=O)N[C@H](Cc1cc(I)c(O)c(I)c1)C(=O)O	408736296	AIGLTDDEAIZESU-LLVKDONJSA-N	533.100	2.979	0	40	KFAB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc5c(c4)OCO5)c(=O)n32)cc1OCC	408936335	PFMUKVXDIXYODP-SOMWRMJPSA-N	508.552	2.544	0	40	KFAB	
CN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2/C=C\COc2ccccc2CN(C(=O)C(C)(C)C)CC3=O)CC1	514287431	BLCJUIGUKIXQBO-IKUOTUDNSA-N	510.679	2.639	0	40	KFAB	
O=C(CN1CCC2(CCCCc3ccccc3OCCCNC2=O)CC1)N1CCO[C@H](c2cc[nH]n2)C1	643554838	MQKKGONOXMMINO-VWLOTQADSA-N	509.651	2.704	0	40	KFAB	
Cc1cccc(C(=O)N2CCCCC3(CCN(Cc4ccccn4)CC3)C(=O)OC[C@@H](O)[C@@H](O)CC2)c1	643580854	VWFFQKMMBMUCRQ-IZZNHLLZSA-N	509.647	2.954	0	40	KFAB	
CCOC(=O)Cn1nnnc1CN(CCc1ccc(OC)c(OC)c1)Cc1cc2ccc(C)cc2[nH]c1=O	926241	IUSGDJZXCDTSLE-UHFFFAOYSA-N	520.590	2.648	0	40	KFAB	
CCOc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(C)o2)cc1	6600990	RRCFKQVSMWFYKP-UTKZUKDTSA-N	527.603	2.808	0	40	KFAB	
O=C(NCCn1ncc2c(=O)n(Cc3ccc(Cl)cc3)cnc21)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1	9823843	YUVIGADWOMUZDZ-QGZVFWFLSA-N	508.941	2.603	0	40	KFAB	
Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(O)cc2)cc1	12473927	YLMZOTNBRWDHLM-GHTZIAJQSA-N	509.588	2.522	0	40	KFAB	
COc1ccc(CCNC(=O)Cn2c(CN3CCOCC3)nc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1	21548947	PCCUCNIBXLPWOO-GOSISDBHSA-N	510.660	2.783	0	40	KFAB	
COc1cc(OC)cc(C(=O)Nc2ccc(O)c(C(=O)NCCS(=O)(=O)N3CCc4ccccc43)c2)c1	32915276	QKFUQNMBIAIANW-UHFFFAOYSA-N	525.583	2.784	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC(C)=O)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	59418458	TTWDWUWPIOLWNU-RWTNITNYSA-N	522.579	2.741	0	40	KFAB	
COC(=O)CCC[C@]12C[C@H]3SC[C@@](NC(=O)c4ccccc4)(C3=O)[C@]1(O)[C@H](NC(=O)c1ccccc1)CS2	100505159	JDUSOGAEKZHNNA-JSUWFEPDSA-N	554.690	2.602	0	40	KFAB	
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)c3ccc(COc4ccc(F)cc4Cl)o3)[C@@H]2SC1	101571590	AJRKVOGOICUTKC-UWJYYQICSA-N	524.910	2.566	0	40	KFAB	
CC(=O)N[C@@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1Oc1cccc(Nc2nc(-c3ccc(C)cc3)nc3ccccc23)c1	170593549	DTQGGFOPSZLQAV-ZRJUGLEFSA-N	530.581	2.671	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	222579950	NYAMSAHQFOYPTH-QGZVFWFLSA-N	524.039	2.821	0	40	KFAB	
O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)Nc1ccc(CC(=O)N2CCCC2)cc1	222832648	AFEILSVBGVBQRL-UHFFFAOYSA-N	522.023	2.543	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C)cc1	224464299	WHKPBEXWNJHBCN-IBGZPJMESA-N	505.637	2.659	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	225217421	JKLAOPYEHZWXFJ-MRXNPFEDSA-N	536.448	2.927	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O	225505705	KWVKURGKBVZORO-VWLOTQADSA-N	509.628	2.847	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC[C@](COc3ccc(F)cc3)(CC(=O)N3CCN(C)CC3)C2)cc1	257276353	NTHWPPLVXWPVFD-SANMLTNESA-N	519.639	2.848	0	40	KFAB	
CN(CC(=O)N1C[C@H](C(=O)NCCc2ccccc2)Oc2ccccc21)S(=O)(=O)c1ccc(F)cc1	260830692	QDCGALYQAGSIFR-XMMPIXPASA-N	511.575	2.599	0	40	KFAB	
COc1cccc(OC)c1C(=O)NN1C[C@H](C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)CC1=O	408661448	VWGBFJKJZIQAAU-GFCCVEGCSA-N	510.330	2.686	0	40	KFAB	
O=C(NCCS(=O)(=O)N1CCCC1)c1ccc2c(c1)CNCCCCCCCN2C(=O)c1ccncc1	643584510	PBUXGAKHZXAIMY-UHFFFAOYSA-N	527.691	2.938	0	40	KFAB	
CCCCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)CC(=O)N[C@@H](CC(C)C)C1=O	643585272	UTOCAEWGOOUNSD-CONSDPRKSA-N	648.849	2.791	0	40	KFAB	
CCCC[C@H](N)C(=O)N1CCCCOC[C@@H](O)[C@@H](O)[C@H](OCCC(C)C)CN(C(=O)c2ccccc2F)CC1	643586384	GSISGARJHCKMMT-FICKONGGSA-N	553.716	2.578	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1	680799	MFPAKNRWUVZZMK-QFXXMJIKSA-N	588.480	2.999	0	40	KFAB	
CCN1C(=O)[C@@H](CC(=O)Nc2ccc(I)cc2)N(NC(=O)c2ccccc2)C1=S	1078077	CJHHUKDNIHTVRA-MRXNPFEDSA-N	522.368	2.782	0	40	KFAB	
COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(Cc2cccs2)C(=O)c2snc(C(N)=O)c2N)cc1	7059004	YESPVRDRORXNOH-JXFKEZNVSA-N	529.644	2.573	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(N4CCOCC4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1	100225785	HNSJNPVKILRWJK-VOSMRYOYSA-N	588.480	2.999	0	40	KFAB	
COc1ccccc1N1CCN(C(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)n2C)CC1	100451132	NFRACMHPVYCFNI-UHFFFAOYSA-N	556.714	2.716	0	40	KFAB	
COc1ccc(C)cc1N(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccccc1	106379593	BDEVGJCPQVHDSS-UHFFFAOYSA-N	559.666	2.859	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O	222796057	DWVDAIZFFNLCAH-AWEZNQCLSA-N	502.420	2.931	0	40	KFAB	
CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	222889137	PQOGZTFZQVLGAT-QFIPXVFZSA-N	522.643	2.779	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCc1ccc(CN2CCOCC2)cc1	224562784	NWARIMGCALFDKW-UHFFFAOYSA-N	501.649	2.878	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	225562547	JTYNRWIEFBIHQY-DEOSSOPVSA-N	537.638	2.876	0	40	KFAB	
CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCCNS(=O)(=O)c2ccc(C)cc2)C1	260749305	USOMCUXCTXUTSQ-SFHVURJKSA-N	544.095	2.543	0	40	KFAB	
COc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)NCCc3ccc(OC)c(OC)c3)cc2)cc1	409198529	BTVCNXYJEKJQJU-UHFFFAOYSA-N	528.627	2.971	0	40	KFAB	
Cc1nc(C2CC2)ncc1C(=O)N1CCO[C@@](COc2cccc(Cl)c2)(CC(=O)N2CCOCC2)C1	585287499	YESSHSBGISFODU-SANMLTNESA-N	515.010	2.855	0	40	KFAB	
CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CC[C@@H]2NC(=O)[C@H](Cc3ccccc3)NC(=O)C3(CC=CC[C@@H]2C1)CCOCC3	2037829076	ZARIYBKMVOBWHH-QNRWOPMTSA-N	600.760	2.941	0	40	KFAB	
CCc1ccccc1NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	6860765	KQZZUPMVMNVPKO-XMMPIXPASA-N	513.641	2.952	0	40	KFAB	
COc1cc(NC(=O)COC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc(OC)c1OC	8686741	DTRCHIYQUYRTQL-KRWDZBQOSA-N	512.968	2.701	0	40	KFAB	
COc1ccc(CNC(=O)COC(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)cc1	8693822	IUSHKPIHTGWAPE-UHFFFAOYSA-N	514.522	2.974	0	40	KFAB	
O=C(c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1)N1CCN(Cc2ccccc2)CC1	12533075	KQZJTJQYXBTNFV-UHFFFAOYSA-N	512.676	2.656	0	40	KFAB	
CCCCCN(C(=O)CCC(=O)OCC(=O)N(CC)c1ccccc1)c1c(N)n(CCCC)c(=O)[nH]c1=O	12902484	KXMKYYAUATWCIC-UHFFFAOYSA-N	529.638	2.819	0	40	KFAB	
O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(NS(=O)(=O)c2ccccc2)c1	13678503	PADXWEZJWTYERJ-UHFFFAOYSA-N	501.586	2.761	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3C)OCO4)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	96190219	JHUPRZUSAHOVJI-IZBTWGKQSA-N	522.579	2.853	0	40	KFAB	
COc1ccccc1N(C[C@H]1CN(S(=O)(=O)c2ccc(C)cc2)C(=O)CO1)S(=O)(=O)c1ccccc1	102579260	MNFHFMOSZBWWPC-FQEVSTJZSA-N	530.624	2.815	0	40	KFAB	
O=S1(=O)CN(c2ccccc2)CS(=O)(=O)CN(c2ccccc2)CS(=O)(=O)CN(c2ccccc2)C1	102853569	NKYKMPSCJAYHQX-UHFFFAOYSA-N	549.696	2.509	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	103019089	SPRROMLPUWOFNQ-UHFFFAOYSA-N	549.694	2.651	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	222570671	QNQYFDNYZSGHLB-QHCPKHFHSA-N	541.601	2.707	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223266544	NDLGRISDDNALKM-SFHVURJKSA-N	521.611	2.697	0	40	KFAB	
C[C@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N(CC(=O)Nc3ccccc3)C[C@H]3CCCO3)cc2)C1	245230827	ZULIGYPHCSKUQL-RBBKRZOGSA-N	535.688	2.916	0	40	KFAB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(OC)ccc4OC)c(=O)n32)cc1OCC	408933647	BTYSDJAIRMCHKI-AKKXDVJXSA-N	524.595	2.833	0	40	KFAB	
COc1cccc(N(C(=O)c2cc(=O)[nH]c(=O)[nH]2)[C@@H](C(=O)NCc2ccccc2)c2ccc(F)cc2)c1	1325680	ORPLYOKECHBRBH-XMMPIXPASA-N	502.502	2.915	0	40	KFAB	
COCCN(C(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	2642189	HVZSMLBWZVXCSJ-UHFFFAOYSA-N	584.658	2.638	0	40	KFAB	
CON(C)S(=O)(=O)c1ccc(Cl)c(C(=O)O[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)c1	13076294	RITQOMYQVQDRQM-HNNXBMFYSA-N	511.984	2.543	0	40	KFAB	
CC[C@H]1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N(CCOC)CC(=O)Nc2ccccc2)cc1	13496954	NFCWZJTUJLVMPH-NRFANRHFSA-N	523.677	2.916	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3N(C)S(=O)(=O)c3ccccc3)CC2)cc1	13648654	YAOPFSLNFGMVNJ-UHFFFAOYSA-N	513.641	2.967	0	40	KFAB	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@H]5CO[C@@H](c6cccs6)O[C@@H]5[C@@H](O)[C@@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O	28226559	NRUKOCRGYNPUPR-AIJPQRSESA-N	656.662	2.753	0	40	KFAB	
Cc1cccc(CCN(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)c1	38145035	FWXRIOMPJLIMOI-REWPJTCUSA-N	539.633	2.993	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)C2)cc1C	59838583	YYIQYPRIVIWPAR-JOCHJYFZSA-N	549.715	2.895	0	40	KFAB	
Cc1c(N2C(=O)CS[C@]23C(=O)N(CN2CCC4(CC2)OCCO4)c2ccccc23)c(=O)n(-c2ccccc2)n1C	98008953	VZUPZKNCGDDDHG-GDLZYMKVSA-N	561.664	2.560	0	40	KFAB	
Cc1ccc(NC(=O)[C@@H](C)OC(=O)Cc2ccc(Br)cc2)cc1S(=O)(=O)N1CCOCC1	103098834	YFEMDDUYIXEWJT-MRXNPFEDSA-N	525.421	2.891	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CN(c1ccccc1Br)S(C)(=O)=O	140041466	NECHYJJDZLYGOE-UHFFFAOYSA-N	546.465	2.647	0	40	KFAB	
CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	222931936	PHOISPOLLIRCNV-QFIPXVFZSA-N	517.648	2.946	0	40	KFAB	
CC[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)N(c1cc(C)ccc1C)S(C)(=O)=O	224333637	UDNKUXFCJRMVET-HSZRJFAPSA-N	537.704	2.828	0	40	KFAB	
CCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	224798912	MVVJSFOQVUETOP-KRWDZBQOSA-N	524.039	2.821	0	40	KFAB	
COc1ccc(OC)c(N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c1	225682410	GFCLOZVIPHPGJA-SFHVURJKSA-N	523.627	2.798	0	40	KFAB	
COC(=O)c1ccccc1NC(=O)[C@@H](OC(=O)c1cccc(OC)c1)[C@H](OC(=O)c1cccc(OC)c1)C(=O)O	409377688	KLEACQVDEPBNKM-GOTSBHOMSA-N	551.504	2.965	0	40	KFAB	
CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(C(=O)CNc5cccc6c5C(=O)N([C@@H]5CCC(=O)NC5=O)C6=O)CC4)cn3)nc2n(C2CCCC2)c1=O	1911936304	IWFNIKIERKCKFZ-MUUNZHRXSA-N	760.812	2.718	0	40	KFAB	
COC(=O)c1ccccc1S(=O)(=O)N(Cc1cccnc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3	919433	OOFNFQBWXSUGFB-UHFFFAOYSA-N	521.551	2.872	0	40	KFAB	
Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccc(O)cc1	12473891	SKEYFTWNKYGHNU-UWJYYQICSA-N	509.588	2.522	0	40	KFAB	
COc1ccc(NC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1NS(=O)(=O)c1ccc(F)cc1	12551792	IFHWWEYXARIGQY-RTBURBONSA-N	501.536	2.915	0	40	KFAB	
CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)N1CCN(Cc2ccncc2)CC1	19359920	NQJVKHLOABHTFS-RUZDIDTESA-N	532.649	2.979	0	40	KFAB	
O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccccc2)CC1)Nc1ccc(Oc2ccccc2)cc1	19961746	BCPGSHCKUIBNJF-MHZLTWQESA-N	527.625	2.957	0	40	KFAB	
O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1	20031977	ZGIBWHICUNLXRK-NRFANRHFSA-N	505.662	2.578	0	40	KFAB	
CCOC(=O)C1=C(COC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)NC(=O)N[C@@H]1c1ccco1	102220497	VOTDBULXMOEPQO-YLJYHZDGSA-N	537.978	2.501	0	40	KFAB	
CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cc(Cl)cc(Cl)c1	215961413	JQVFTDZISGIXJG-UHFFFAOYSA-N	530.415	2.989	0	40	KFAB	
COC(=O)C[C@H](c1ccc(C(=O)O)cc1)c1oc(CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc(=O)c1O	218103669	JOZLZXDTNSDMEU-LDQXTDLNSA-N	520.538	2.520	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O	222602079	GVUPVRCCJIJPJV-CQSZACIVSA-N	500.390	2.518	0	40	KFAB	
CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	222624222	WSMCTFJALKXGBJ-NRFANRHFSA-N	523.627	2.941	0	40	KFAB	
CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NCCCOCC)cc1	222717968	DJKRFLIPBAHGTO-NRFANRHFSA-N	503.665	2.878	0	40	KFAB	
CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	225408911	OAJJCNKKWVCQSA-NRFANRHFSA-N	519.620	2.524	0	40	KFAB	
O=S1(=O)C[C@@H](O)[C@@H](N(Cc2ccccc2)S(=O)(=O)c2cc(Br)ccc2Br)C1	575425307	XVFJHCSAPNADLG-JKSUJKDBSA-N	539.267	2.560	0	40	KFAB	
Cc1cc(OC[C@@]2(CC(=O)N3CCN(C)CC3)CN(C(=O)COc3cccc(N(C)C)c3)CCO2)ccc1Cl	585284835	JSOVXYIDCGHTAM-GDLZYMKVSA-N	559.107	2.934	0	40	KFAB	
CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccco3)N3CCN(C(=O)c4ccco4)CC3)cc2c1	1362082	YXKKAIAXTBYOTO-XMMPIXPASA-N	529.557	2.695	0	40	KFAB	
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(N)=O	6134942	USXRRKPOSGWVFO-VJBWXMMDSA-N	577.723	2.743	0	40	KFAB	
CC(=O)Nc1ccc(NC(=O)CSc2nc(-c3ccccc3F)nc3c2c(=O)n(C)c(=O)n3C)cc1	8902158	PKYQTJHSZNQNSL-UHFFFAOYSA-N	508.535	2.523	0	40	KFAB	
CSCC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)O[C@@H](C)C(=O)N1CCN(C(=O)c2ccco2)CC1	12634955	VNWBAEVBWFWGKT-QFBILLFUSA-N	522.023	2.701	0	40	KFAB	
CN(CC(=O)Nc1ccccc1Cl)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	12917377	ZLQCGUABOXPOEC-UHFFFAOYSA-N	507.996	2.609	0	40	KFAB	
Cc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@H](C(=O)NC(C)(C)C)c3cccs3)n2)o1	19825975	WCRNOLWVTMVMKR-QFIPXVFZSA-N	529.667	2.510	0	40	KFAB	
O=S(=O)(NC1CCCCC1)c1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1	20097936	CBPLFIGDKWWFRK-UHFFFAOYSA-N	521.661	2.533	0	40	KFAB	
O=C(Nc1ccc2c(c1)OCCOCCOCCOCCO2)Nc1ccc2c(c1)OCCOCCOCCOCCO2	33354417	PANVHYAVAAQONC-UHFFFAOYSA-N	592.642	2.973	0	40	KFAB	
CCn1c(SCC(=O)N(C)C2CCCCC2)nnc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1	36296035	KNXALAFDNZUSDX-UHFFFAOYSA-N	520.725	2.784	0	40	KFAB	
COc1ccc(CNC(=O)Cn2c(=O)n(CCCCC(=O)NC3CCCC3)c(=O)c3ccccc32)cc1	45898947	OFFFJPPZZUMRMJ-UHFFFAOYSA-N	506.603	2.717	0	40	KFAB	
Cc1cc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)ccc1-n1cnnn1	100336826	HTQSRVUQQNMCTP-LXFBAYGMSA-N	569.601	2.924	0	40	KFAB	
COc1ccc(C(=O)COC(=O)[C@@H](CCCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1	100560975	LQGWKUTVXTZSLQ-YPQNQJIGSA-N	586.641	2.574	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCC(N(C)C)CC4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1	105498901	CGARTGZKSBMNJL-FGSNJIQSSA-N	550.681	2.930	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1F)S(C)(=O)=O	222856185	OPDHHDVFJPMORV-VWLOTQADSA-N	527.618	2.986	0	40	KFAB	
CCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O	225372253	ZVNQRQLVJBRWAG-QHCPKHFHSA-N	505.637	2.803	0	40	KFAB	
COc1ccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2)cc1S(=O)(=O)N1CCOCC1	225748558	ZUSOTKRXQAZHIW-UHFFFAOYSA-N	575.690	2.942	0	40	KFAB	
CC(C)Oc1ccc([C@H](CC(N)=O)c2oc(CN3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)cc(=O)c2O)cc1	257198822	JDKKMTWZUQODLT-NOXFTYBFSA-N	519.598	2.921	0	40	KFAB	
COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)N(C)Cc2cc(OC)c(OC)c(OC)c2)C1	260734087	FVVRMNQTOCUYMG-KRWDZBQOSA-N	510.584	2.919	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	260898605	DNBFXGSXISQPSH-UXHICEINSA-N	517.648	2.864	0	40	KFAB	
COCCNS(=O)(=O)c1ccc(OCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1	408601747	GZUBMDKJSNDZPR-UHFFFAOYSA-N	523.655	2.924	0	40	KFAB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4ccccc4OC(C)=O)c(=O)n32)cc1OCC	408935361	DNNRZBPCNJWBFZ-AKKXDVJXSA-N	522.579	2.741	0	40	KFAB	
CCOc1cc(/C=c2\sc3n(c2=O)[C@@H](c2cccc(OC)c2)C(C(=O)OC(C)C)=C(C)N=3)ccc1OCC(=O)N1CCOCC1	409151445	BJZHWODNHLYXSF-OGEXXFCLSA-N	635.739	2.832	0	40	KFAB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]2NCc2ccccc2)c(OC)c1	575425556	GIACHNZCFUCYEK-BJKOFHAPSA-N	530.668	2.850	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OCCn3ccnc3C)cc2)C[C@@](O)(COc2ccc(C)cc2)C1	585273011	MMQFHEHRQVLQGM-LJAQVGFWSA-N	522.646	2.680	0	40	KFAB	
CCOC(=O)N1CCN(C(=O)CSc2nc3c(c(=O)n2-c2ccc(OCC)cc2)SCC3)CC1	3632770	BKDXTXKBQZSZKX-UHFFFAOYSA-N	504.634	2.672	0	40	KFAB	
COC(=O)c1cccc(NC(=S)N[C@H]2CO[C@@H]3[C@@H](Nc4nccc(-c5ccc(N(C)C)cc5)n4)CO[C@H]23)c1	5398089	BOXLHOGTLHHKLY-CJRSTVEYSA-N	534.642	2.930	0	40	KFAB	biogenic,in-vitro
CCOC(=O)CNC(=O)[C@@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)c(C)c1	6546661	FSCSPRHUUSZTIT-OAQYLSRUSA-N	527.578	2.648	0	40	KFAB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCC(N)=O	15230409	FHZLWLUHHFWSJS-FYJGNVAPSA-N	501.495	2.805	0	40	KFAB	
CCOC(=O)C1=C(CS(=O)(=O)c2ccc(C)cc2)NC(=O)N[C@@H]1c1cc(OC)c(OC)c(OC)c1	15934964	PJENSQMFROHWEN-OAQYLSRUSA-N	504.561	2.666	0	40	KFAB	
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@H](C)C4)cc3)cc2)n1	18120002	ZMBOWTQMSVCZKU-HDICACEKSA-N	545.643	2.636	0	40	KFAB	
CCOC(=O)/C=c1/s/c(=C\c2cn(-c3ccccc3)nc2-c2ccccc2)c(=O)n1CC(=O)N(CC)CC	102964382	NCDMJFFVZCTJCT-ZRVTXNOHSA-N	530.650	2.803	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O	222559486	VWIQMEHFBNYRMB-AWEZNQCLSA-N	563.845	2.874	0	40	KFAB	
C[C@@H](C(=O)NCCN1CCOCC1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1	222713806	JASPCQZBFVIIJY-QHCPKHFHSA-N	598.697	2.871	0	40	KFAB	
COc1ccc(Cl)cc1N(CC(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)S(=O)(=O)c1ccccc1	224203784	BCJHMMKPEAMORU-UHFFFAOYSA-N	582.100	2.989	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1	224349962	GEHMAEDHLLOTJJ-LJQANCHMSA-N	556.106	2.720	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O	225374033	OZMHZXSULZQPBB-RTBURBONSA-N	515.632	2.952	0	40	KFAB	
COc1cccc(N(CC(=O)NCCSc2nc(C)n[nH]2)S(=O)(=O)c2cc(C)ccc2OC)c1	226058852	IZKVIEBGDVSPSY-UHFFFAOYSA-N	505.622	2.543	0	40	KFAB	
CO[C@@H]1[C@@H](O)[C@H](C)O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@H]4[C@H]3CC[C@]3(C)[C@H](C5=CC(=O)OC5)[C@H](OC(C)=O)C[C@]43O)C2)[C@@H]1O	257347133	UZQOZJNEDXAJEZ-CAFRVVHMSA-N	592.726	2.652	0	40	KFAB	
COc1ccc(CNC(=O)COc2ccc(S(=O)(=O)NCCc3ccc(OC)c(OC)c3)cc2)cc1	409193951	IRFRBRMEWRZRIJ-UHFFFAOYSA-N	514.600	2.929	0	40	KFAB	
Cn1c(=O)[nH]c(=O)c2c1nc1n2C[C@@H](COc2c(Br)cc(Br)cc2Br)O1	1242754	XHAFOTKBEOMRKD-ZETCQYMHSA-N	550.989	2.551	0	40	KFAB	
CCOC(=O)Cn1nnnc1[C@H](CC)N(Cc1ccc2c(c1)OCO2)Cc1cc2ccc(OC)cc2[nH]c1=O	1374701	LHEHQVJMHVNIAU-QFIPXVFZSA-N	534.573	2.969	0	40	KFAB	
COC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cn(Cc2ccccc2)cn1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C	4059833	CEFIKNVKGSMLOV-PUHABZHSSA-N	598.789	2.567	0	40	KFAB	
CC(C)(C)NC(=O)CN(C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1ccc(Cl)cc1	6074327	RGOCGMVYQCVWFH-UMSFTDKQSA-N	507.996	2.704	0	40	KFAB	
COc1ccc(CCNC(=S)N(CCCN2CCOCC2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1OC	6240106	FAECDAONKAJFIK-UHFFFAOYSA-N	582.723	2.958	0	40	KFAB	
CCOc1ccc([C@@H](C(=O)NC2CCCC2)N(CCCO)C(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1	6601280	WAVUONPVMAOXPE-VWLOTQADSA-N	524.597	2.889	0	40	KFAB	
CC(C)C[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N12)C(=O)N[C@@H](C)C(=O)O	8790247	RZKVDWKVDCRWKM-OJFHNSJASA-N	502.571	2.758	0	40	KFAB	biogenic
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O	17413762	LMNAXRABYOVILC-UHFFFAOYSA-N	581.672	2.937	0	40	KFAB	
COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4ccccc4F)CC3)cc2c1	19940660	GPVMTYZBCZWGTM-CJFMBICVSA-N	519.581	2.753	0	40	KFAB	
COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1	20488655	CPRJOMUCEOLGHR-UHFFFAOYSA-N	509.650	2.950	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	59418455	CWHBYFPCTWWUCG-MFUBYVTQSA-N	522.579	2.741	0	40	KFAB	
COC(=O)C1=C(N)n2c(s/c(=C\c3ccc(OC(C)C)c(OC)c3)c2=O)=C(C(=O)OC)[C@@H]1c1ccc(OC(C)C)c(OC)c1	102649844	UCMAATOLOXTXNW-RVEICJNFSA-N	624.712	2.752	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)c2)c1	103085951	YAEKFAUCAYRZPQ-UHFFFAOYSA-N	621.137	2.897	0	40	KFAB	
COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H](C)C(=O)NCCc2ccc(OC)c(OC)c2)cc1	222933792	BZEQSCNAFFIFGD-DEOSSOPVSA-N	655.770	2.888	0	40	KFAB	
COc1ccc(CN(C(=O)CCN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C)C(=O)NC2CCCC2)cc1	224071211	OBPJSNWIOHUCBX-SFHVURJKSA-N	513.616	2.706	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1	224397321	HQWUBCWCIBIEMK-IBGZPJMESA-N	541.717	2.519	0	40	KFAB	
C[C@@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@]4(C)[C@H]3CC=C3[C@H]5[C@@H](C)[C@H](C)CC[C@]5(C(=O)O)CC[C@]34C(=O)O)C2(C)C)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	253387427	IIIOQVDDEWZCEQ-IGLCMIHFSA-N	794.976	2.830	0	40	KFAB	biogenic,in-vitro
CC(C)[C@@H]1CCC(CO)=C[C@@H]1/C=C(\CO)C(=O)OC[C@]1(O)CC[C@H](C(C)C)[C@@H]2C=C(C(=O)O)COC(=O)[C@@H]21	253389570	RCOCBDNPQGVEDL-CNXSMPBZSA-N	534.646	2.647	0	40	KFAB	biogenic,in-vitro
CC1(C)CCC2(CCN(CC(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)CC2)CN1S(=O)(=O)c1ccccc1	257268725	MMXCOOYSKMYAIP-UHFFFAOYSA-N	604.795	2.992	0	40	KFAB	
O=C(CN1CC[C@@]2(CCCN2CCc2ccccc2)[C@@H](O)C1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1	257295698	QZMQRIBUSZLERP-YTMVLYRLSA-N	540.730	2.944	0	40	KFAB	
COc1cc2c(cc1OC)CN1C(=O)N(CCCC(=O)N(C)C[C@@H]3CCCN4CCCC[C@H]34)C(=O)[C@@H]1C2	604403993	HOGVKLHBMYNKDG-PMOQBDJRSA-N	512.651	2.896	0	40	KFAB	biogenic
O=C1NC2(CCOc3cc(-c4cccnc4)ccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(C(=O)NC1CCCCC1)CC2	1548891207	YOMHBQLHJBXYFN-RPBOFIJWSA-N	597.738	2.648	0	40	KFAB	
Cc1c(N[C@H](NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)C(Cl)(Cl)Cl)c(=O)n(-c2ccccc2)n1C	727873	ONJBFGPYGJEHQQ-NRFANRHFSA-N	572.858	2.554	0	40	KFAB	
Cc1c(NC(=O)[C@H](C)OC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c(=O)n(-c2ccccc2)n1C	3237559	IMHVOTXESHHIDX-IBGZPJMESA-N	526.615	2.843	0	40	KFAB	
NC(=O)N[C@@H]1O[C@@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1	5179655	NGOXGWUANSSZOJ-GSPCLOLRSA-N	504.495	2.688	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN(c3ccc(Cl)cc3Cl)S(C)(=O)=O)CC2)cc1	10288285	IYQSRCFZPWSWNB-UHFFFAOYSA-N	520.460	2.601	0	40	KFAB	
CCCCN(C(=O)CSCC(=O)Nc1ccc(C)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	12878293	UHMUWXXGBHNKQL-UHFFFAOYSA-N	509.632	2.981	0	40	KFAB	
COc1cc(COC[C@H](O)CN2CCN(CCN3C(=O)c4cccc5cccc(c45)C3=O)CC2)cc(OC)c1OC	22790379	FAKLTZGUPWTPHU-HSZRJFAPSA-N	563.651	2.657	0	40	KFAB	
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1	22924818	DBEUGQGKKIJZPU-UHFFFAOYSA-N	526.634	2.806	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@@H](OC(C)=O)[C@@H](NC(=O)c2cc(-c3ccccc3)nc3ccccc23)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	97983235	VVMNWCWAUDNQKP-BKGJNCDGSA-N	578.574	2.715	0	40	KFAB	
COC(=O)c1cc(NC(=O)[C@@H]2CN(S(=O)(=O)Cc3ccccc3)c3ccccc3O2)cc(C(=O)OC)c1	100092939	WHUWLLIPDYAVIQ-QHCPKHFHSA-N	524.551	2.996	0	40	KFAB	
COC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)sc2cc(C)ccc21	100876040	WTWBHQCIEMOZEF-JBKGGCNYSA-N	517.629	2.723	0	40	KFAB	
COc1ccc(CCNC(=O)[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C(C)C)cc1OC	101090369	BOFASFQAHTYTIV-SANMLTNESA-N	545.702	2.913	0	40	KFAB	
O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1ccc(F)cc1	102100428	SWLGVJGPECFZSF-HHHXNRCGSA-N	543.643	2.889	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	222526128	IFGJNKHXCFRKJH-RUZDIDTESA-N	544.624	2.964	0	40	KFAB	
Cc1ccc(S(=O)(=O)NCCNC(=O)COc2ccc(S(=O)(=O)Nc3cc(C)cc(C)c3)cc2)cc1	222693815	VOZOHMQTSRWMEH-UHFFFAOYSA-N	531.656	2.886	0	40	KFAB	
CSc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)cc1NC(=O)C(C)C	224269772	IGTGJBAGQWKWEU-UHFFFAOYSA-N	515.679	2.611	0	40	KFAB	
CS(=O)(=O)N(CC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccc(I)cc1	224990519	GELDFUUXGWCCEU-UHFFFAOYSA-N	515.373	2.533	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OC	408979928	DLWBDZVSPHFCCJ-WVWKGNOCSA-N	510.568	2.530	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(NC(C)=O)cc3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409039955	RSRLUHJTUVPGBC-ZDZYTSRMSA-N	593.658	2.707	0	40	KFAB	
Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(O)cc2)c1C	12473958	LGFHNBIFXFXLFJ-XMSQKQJNSA-N	523.615	2.830	0	40	KFAB	
CC(C)C[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C)C(=O)O	38144918	VJAKAZCKYRUDIB-YLWAJMTFSA-N	573.683	2.504	0	40	KFAB	biogenic
COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2)cc1OC	38145018	XZPIMYRDIIIFGA-FDDCHVKYSA-N	553.641	2.833	0	40	KFAB	
CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O	70707043	HVHVKUFUIIQCAU-MPPVSAIVSA-N	570.646	2.817	0	40	KFAB	biogenic
CCOC(=O)/C=c1\s/c(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)c(=O)n1CC(=O)N1CCOCC1	97981650	GEDAXCBZESQZIR-FEQHTUGKSA-N	537.421	2.508	0	40	KFAB	
COc1ccc(/C=C2/SC(=O)N(CCNC(=O)[C@@H](NS(=O)(=O)c3ccccc3)C(C)C)C2=O)cc1	98008874	UDWUOGJHBCPDLP-MEPUESOJSA-N	517.629	2.851	0	40	KFAB	
COc1ccc(OC)c(C[C@@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)c1	100468843	SNZMZZAPESXVQO-OAQYLSRUSA-N	557.591	2.739	0	40	KFAB	
COC(=O)[C@@H]1CN(C(=O)COc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)c2ccccc2O1	222670122	XVFNJKJNGZFEJW-DEOSSOPVSA-N	510.568	2.853	0	40	KFAB	
Cc1cc(C)cc(N(CCCC(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)c1	224335896	BCYKRRDTKHKDMB-UHFFFAOYSA-N	537.704	2.829	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225365961	ZVXQFHFSKVEJHQ-RTBURBONSA-N	533.647	2.564	0	40	KFAB	
CCOc1ccccc1N(CC(=O)N(Cc1ccc(OC)cc1)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O	225671877	CVVLKMXMXZNHQW-IBGZPJMESA-N	505.637	2.802	0	40	KFAB	
Cc1ccc(S(=O)(=O)NCCNC(=O)Cc2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	225982455	OSFJJAJAIBLHMI-UHFFFAOYSA-N	515.657	2.766	0	40	KFAB	
COc1c2ccoc2nc2c(OC)c(O[C@@H]3O[C@H](C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)ccc12	252015058	VEPUODFCYPKQKH-QNNRUYNHSA-N	517.487	2.917	0	40	KFAB	biogenic
COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=S)NC(=O)c2c(F)c(F)c(OC)c(F)c2F)c1	408575398	UQRYKOWEIYTILH-UHFFFAOYSA-N	514.501	2.917	0	40	KFAB	
C[C@H](C(=O)Nc1ccccc1C(=O)NCc1cccnc1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O	408704569	PRPYLZZZPJXLHL-QGZVFWFLSA-N	510.572	2.576	0	40	KFAB	
C[C@H]1C(=O)N(C)CCCCN(C(=O)Cn2ccnc2)CCCCOc2ccc(Cl)cc2C(=O)N1C	643559207	QNJZGKSHXREPBJ-IBGZPJMESA-N	504.031	2.937	0	40	KFAB	
C[C@@H]1NC(=O)C[C@@H](C(=O)NCCCN2CCCCCC2)NC(=O)c2ccccc2OC[C@H](Cc2ccccc2)N(C)C1=O	643566344	RDVWFBAOHAIEPJ-MPYJOUPCSA-N	591.753	2.524	0	40	KFAB	
CCOc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)C2CCCC2)cc1	6601411	XYTSBBZRVWEFLL-RXVVDRJESA-N	515.636	2.644	0	40	KFAB	
COc1ccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3cccc4ccccc34)CC2)cc1OC	8763131	HGAIELVGFRYCNP-XMMPIXPASA-N	539.654	2.874	0	40	KFAB	
CCOC(=O)c1sc2c(OC[C@@H](O)CN3CCOCC3)c(Br)ccc2c1NC(C)=O	12413691	RRLLRALBSLSMOM-ZDUSSCGKSA-N	501.399	2.871	0	40	KFAB	
CCN(CC)S(=O)(=O)c1ccc(C(=O)OCc2nc(CC(=O)Nc3ccccc3OC)no2)cc1	14361215	PFPCVTVSDNPTHS-UHFFFAOYSA-N	502.549	2.647	0	40	KFAB	
O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1	59838483	JJCSOMICCCGTTJ-UHFFFAOYSA-N	576.524	2.731	0	40	KFAB	
CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2cc(F)c(F)c(F)c2F)CC1	95570240	BQXWUEAAXQOADL-UHFFFAOYSA-N	530.544	2.658	0	40	KFAB	
CCC(C)(C)NC(=O)[C@@H](c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(-n2cnnn2)c(OC)c1	100355518	YCPLNIVWOLADSA-AREMUKBSSA-N	554.615	2.890	0	40	KFAB	
COc1cc(NC(=O)Cn2c(=O)n(CC(=O)NC3CCCC3)c(=O)c3oc4ccccc4c32)cc(OC)c1OC	101354058	AMNREIVNIXKPBO-UHFFFAOYSA-N	550.568	2.633	0	40	KFAB	
CC(=O)OC[C@H]1O[C@@H](NC(=S)Oc2cccc(Oc3ccccc3)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	101572922	NSLNXOJKPCPSDD-PUHDZGQXSA-N	575.592	2.815	0	40	KFAB	
Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2nn(C)cc2C(=O)N2CCN(C3CCCCC3)CC2)CC1	102920717	RTGNFXAKAVXFHZ-UHFFFAOYSA-N	549.141	2.983	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C	222663996	PSAFOUYGONJNTO-OAHLLOKOSA-N	501.436	2.770	0	40	KFAB	
C[C@@H](C(=O)NCc1ccncc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222779874	MDDLZKHXVLENOS-NRFANRHFSA-N	587.098	2.868	0	40	KFAB	
O=C(NCc1ccccc1)[C@@H]1CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)c2ccccc2O1	222832170	RNHGIGKTDKMFIJ-SANMLTNESA-N	586.066	2.850	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)c1	223043683	AQVVDVGAOJEEOZ-KRWDZBQOSA-N	519.620	2.522	0	40	KFAB	
COc1ccc(OC)c(N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c1	224495092	PSWUCLPJSQRJPM-FQEVSTJZSA-N	519.664	2.702	0	40	KFAB	
COc1ccc(N(CC(=O)NCCNS(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c2cc(C)ccc2OC)cc1	226056754	QEBDJVRDSMFCEU-UHFFFAOYSA-N	561.682	2.611	0	40	KFAB	
O=C(COc1ccc(N2C[C@H](C(=O)NCCN3CCOCC3)CC2=O)cc1)Nc1ccc(Cl)c(Cl)c1	408579095	MOMKZJZLTNVODJ-QGZVFWFLSA-N	535.428	2.812	0	40	KFAB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(C(=O)OC)cc4)c(=O)n32)cc1OCC	408933210	ILMNGLAVXFATTJ-UWYGHVLSSA-N	522.579	2.602	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCCC4)cc3)c(=O)n2[C@@H]1c1cccs1	409150301	BHRZKPISPNAZRW-INJUALFYSA-N	537.663	2.861	0	40	KFAB	
CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)NCCCc2ccccc2)NC(=O)c2ccccc2OC[C@H]2CCCN2C1=O	643567132	SJHUDARUUMSAPO-AFESJLNVSA-N	548.684	2.838	0	40	KFAB	
COCCNC(=O)CCCNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2	96222178	ATRDFZWUXCJSPA-NRFANRHFSA-N	527.618	2.818	0	40	KFAB	biogenic
COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1OCOc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)OC	100926324	DZZVWUKYFKIDGP-DHIUTWEWSA-N	536.541	2.704	0	40	KFAB	
CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)C1=O	103139458	QHJSXSFZRMDRHF-XMMPIXPASA-N	535.022	2.547	0	40	KFAB	
C[C@H](C(=O)NCc1ccco1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222856481	XMTRGVFKGWRXMU-HXUWFJFHSA-N	559.616	2.552	0	40	KFAB	
COc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(=O)(=O)c2ccccc2)cc1OC	224282953	PGSCVCKKURWEDH-UHFFFAOYSA-N	603.719	2.879	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	225434062	VPYVJWBQFFWTDQ-VQTJNVASSA-N	519.664	2.844	0	40	KFAB	
CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	225440910	LWZFMHLLBCULRK-OAQYLSRUSA-N	503.621	2.557	0	40	KFAB	
O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1	225559803	IFUNMLRIEHIAQH-UHFFFAOYSA-N	507.634	2.525	0	40	KFAB	
COC(=O)C(=Cc1cc(I)c(OS(=O)(=O)c2ccccc2)c(OC)c1)C(=O)OC	409068649	BLGWJTLUCLKFLN-UHFFFAOYSA-N	532.308	2.797	0	40	KFAB	
COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(I)c(OCC(=O)O)c(I)c2)C1=O	409072534	VUXOOXSASSLHAL-AUEGDVLESA-N	617.155	2.957	0	40	KFAB	
CCOC(=O)CN1C(=O)/C(=c2/sc3n(c2=O)[C@@H](c2ccc(OC)c(Br)c2)C(C(=O)OCC)=C(C)N=3)c2ccccc21	409390117	SJDAREAVRKXQFG-NXLSWJSLSA-N	640.512	2.849	0	40	KFAB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(O[C@H](C)C(=O)OC)c(I)c3)C2=O)o1	409399679	KRBBFYNWSRZPOI-PDICVPPASA-N	554.293	2.704	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OC)c(OCCCn3cccn3)c2)C[C@](O)(COc2ccc(C)cc2)C1	585280697	RJSZOMLEJICDPX-SSEXGKCCSA-N	552.672	2.770	0	40	KFAB	
CN1CC(=O)N[C@H](Cc2ccccc2)COc2ccccc2C(=O)N[C@H](C(=O)NCCOc2ccc(Cl)cc2)CC(=O)N2CCC[C@@H]2C1=O	643574573	AYBJEPQLKNNHRR-JJZPZGAKSA-N	690.197	2.593	0	40	KFAB	
C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1C	883787	RRFSIKVHHJDAHA-QGZVFWFLSA-N	513.645	2.573	0	40	KFAB	
Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3Cc3ccco3)N3CCN(C(=O)c4ccco4)CC3)cc12	1382064	SJPKRDWLCKBCNE-XMMPIXPASA-N	513.558	2.913	0	40	KFAB	
CCCN1C(=O)/C(=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(C)N=3)c2ccccc21	2058854	HRUCEDCSMWWGBS-FEYWKWKCSA-N	517.607	2.934	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(C(=O)OCCN2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1	3223790	IUEUIGYDUFSFJM-TXFWVUOCSA-N	530.602	2.986	0	40	KFAB	
CCOC(=O)c1c(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3)C2=O)sc(C(=O)NC)c1C	3448615	GPPYNFUOANPQHW-QFIPXVFZSA-N	506.968	2.652	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@@H](Nc2ncc(-c3ccc(C)cc3)s2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	5808556	LXUJURWYKMGNEE-UTCUMILBSA-N	520.560	2.614	0	40	KFAB	
CC(C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O	8876593	FTEVFWCCRZCTJD-HULNYRCFSA-N	509.628	2.988	0	40	KFAB	biogenic
O=C(COC(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1)N[C@@H]1CCS(=O)(=O)C1	12541914	QMPOUESOTVKPJE-QGZVFWFLSA-N	508.021	2.677	0	40	KFAB	
COc1cc(/C=C/C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc(S(=O)(=O)N2CCc3ccccc32)c1OC	97979534	JRDGAFBAOMMWIP-OUKQBFOZSA-N	629.713	2.901	0	40	KFAB	
O=C(O)Cn1cc([C@H](C(=O)O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c2ccc(Br)cc21	217542997	BNDXYQPZYYJTGI-ALLJEULLSA-N	500.349	2.895	0	40	KFAB	
CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NCCOC)cc1	222792233	VGBBTNPSRZFFJD-GOSISDBHSA-N	510.056	2.751	0	40	KFAB	
C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	222890200	ZXHIRVVVNBYSKX-QGZVFWFLSA-N	510.607	2.910	0	40	KFAB	
COc1ccc(OC)c(N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c1	224186548	XYFBFASILXGXGJ-FQEVSTJZSA-N	519.664	2.968	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	225033743	DNUXYEAYMDXTFK-RTBURBONSA-N	503.621	2.822	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCCCN1c2ccccc2C[C@@H]1C	225366358	MFJLRWWOAQFHQX-FQEVSTJZSA-N	501.649	2.606	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O	225486449	DUXFQGJGPDQEGU-ZDUSSCGKSA-N	518.380	2.657	0	40	KFAB	
O=C(Cn1cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)c2cc(Br)ccc21)NC[C@@H]1CCCO1	409139418	ASCVQQWQCTYYCW-OIQMFWTRSA-N	591.484	2.594	0	40	KFAB	
CC(=O)N1CCN(Cc2ccc(OCCCN3C(=O)NC(C)(C)C3=O)cc2)C[C@@](O)(COc2ccc(C)cc2)C1	585279717	GEACXANZBASLTB-PMERELPUSA-N	552.672	2.569	0	40	KFAB	
CC(C)CCNC(=O)[C@@H](c1ccncc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCCO2	6076933	XDYIWFIZQPSPIY-OAQYLSRUSA-N	524.603	2.541	0	40	KFAB	
C[C@H]1CCC[C@H](NC(=O)COC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)[C@@H]1C	8670939	CJQSLBHAGYUEPH-MZKRTTBSSA-N	521.680	2.796	0	40	KFAB	
COCCNC(=O)[C@@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(C)cc(C)c1	12467385	RXHSNIFGEBZYSO-OAQYLSRUSA-N	511.604	2.600	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCCO4)c(=O)n2[C@@H]1c1ccc(OCC)cc1	15019862	UODVUIISJDIRBV-DLBLZJNESA-N	506.580	2.968	0	40	KFAB	
COc1ccc2c(C)c(CC(=O)N[C@@H](CSC)C(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)c(=O)oc2c1OC	100962721	SXIKLRURXGOTQM-FCEWJHQRSA-N	534.631	2.516	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(=O)c(-c4ccccn4)c(C)oc3c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	103692370	ARWVTIKJEMLWAI-VOXFHEFUSA-N	583.546	2.625	0	40	KFAB	
CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	222839648	DGDVZCXPWYHOMZ-JOCHJYFZSA-N	522.643	2.779	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	222867555	KUKXMUJLFNTJAI-RUZDIDTESA-N	567.664	2.619	0	40	KFAB	
CCOc1ccccc1N(CCCC(=O)N(Cc1ccc(OC)cc1)[C@H](C)C(=O)NC)S(C)(=O)=O	260853945	CLRWYVNVJAYGSG-LJQANCHMSA-N	505.637	2.803	0	40	KFAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OC	409095919	BRWFSMLRPHUJCW-WLGHQHAYSA-N	507.612	2.826	0	40	KFAB	
CC1(C)NC(=O)N(CCCOc2ccc(CN3CCOC[C@](O)(COc4cccc(F)c4)C3)cc2)C1=O	585279698	FXJDAXJCGZZNET-MHZLTWQESA-N	515.582	2.567	0	40	KFAB	
COc1cc(CN2CCN(C(C)=O)C[C@@](O)(COc3ccc(F)cc3)C2)ccc1OCCCn1cccn1	585280453	NWMXDNJXSASLPZ-MUUNZHRXSA-N	526.609	2.974	0	40	KFAB	
O=C1CN(C(=O)CCN2CCCC2=O)CCCCNC(=O)c2cc(Cl)ccc2OC[C@H](Cc2ccccc2)N1	643558327	CCRURFVETSYNFC-QHCPKHFHSA-N	555.075	2.811	0	40	KFAB	
CC(C)c1ccc2c(c1)OCCC1(CCN(C(=O)NC3CCCCC3)CC1)NC(=O)[C@@H]1C[C@@H](O)CN1S2(=O)=O	1548890470	QBAOMQJRCVLQGF-PKTZIBPZSA-N	562.733	2.710	0	40	KFAB	
CCC(=O)Nc1ccc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(F)cc2)cc1	1222969	CHPDJOJHLRHIBU-UHFFFAOYSA-N	524.578	2.700	0	40	KFAB	
COc1cc([C@@H]2[C@@H](C(C)=O)N3N=Cc4ccccc4[C@H]3C23C(=O)OC(C)(C)OC3=O)ccc1OC(C)=O	2359028	VESUMBFJRABQSF-ZLNRFVROSA-N	506.511	2.889	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccc(Br)cc43)c(=O)n2[C@H]1c1cccs1	2697634	QOVGQKYTIPTBIC-HMNTXPNISA-N	530.425	2.945	0	40	KFAB	
COc1ccc(C(=O)Nc2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(S(=O)(=O)c3ccc(OC)cc3)C2)cc1	4236288	CUMKGMDCZVYCBN-PKOBYXMFSA-N	509.584	2.926	0	40	KFAB	biogenic,in-vitro
COc1cccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3cccc4ccccc34)CC2)c1	8670522	WHPIKDSELMRIGW-RUZDIDTESA-N	509.628	2.865	0	40	KFAB	
O=C1[C@H]2[C@@H](C(=O)N1C[C@@H]1CCCO1)[C@@H](Cc1c[nH]c3ccccc13)N[C@@]21C(=O)Nc2ccc(Cl)cc21	15971534	DRZILLRKJDQDCB-SARUBHRKSA-N	504.974	2.963	0	40	KFAB	
CN(C)CCCN(C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1nc2cc3c(cc2s1)OCO3	38139114	XNOGXUIPFZDUPV-UHFFFAOYSA-N	532.644	2.644	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCC2)c1	44901026	DEGWGTYVVCRJOZ-UHFFFAOYSA-N	507.634	2.825	0	40	KFAB	
CC(C)[C@@]1(NC(=O)[C@H]2C=C3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@H]3CCCN3C(=O)[C@@H](Cc3ccccc3)N2C1=O	60027350	HEFIYUQVAZFDEE-WJEDNPLUSA-N	609.727	2.627	0	40	KFAB	
Cc1ccc(Cl)cc1N(CCCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(C)(=O)=O	100095868	WVKSQIMROXNRGR-UHFFFAOYSA-N	530.068	2.854	0	40	KFAB	
CCN1C[C@]2(C)CC[C@H](OC(C)=O)[C@]34[C@@H]1[C@H](C[C@@H]32)[C@@]1(OC(C)=O)C[C@H](OC)[C@H]2C[C@@H]4[C@H]1[C@H]2OC(C)=O	100765869	BHOWLZWNBIHSFB-JMOWSFBOSA-N	503.636	2.963	0	40	KFAB	
CC(=O)O[C@@H](c1nc2ccccc2c(=O)n1[C@H]1C[C@@]2(OC1=O)c1ccccc1N1C(=O)[C@@H](C)N(O)[C@@H]12)C(C)C	169568722	HHNRKSWQUGTUBV-AWPHQCNVSA-N	532.553	2.806	0	40	KFAB	biogenic
COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)N1CCN(c2cc(Cl)ccc2C)CC1	222619923	QEIBJIUCYJZKDJ-UHFFFAOYSA-N	522.067	2.959	0	40	KFAB	
C[C@@H](C(=O)NC[C@@H]1CCCO1)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1	222735856	GQZGKTKSEHBGFO-RDPSFJRHSA-N	513.660	2.772	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O	223010232	FNDGYTWLJFZEMW-MRXNPFEDSA-N	526.453	2.777	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225441486	SQSZMONWGNNXRR-VQTJNVASSA-N	517.648	2.598	0	40	KFAB	
Cc1ccc(S(=O)(=O)NCCNC(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1	226022190	FSRGLBACXSUNAP-UHFFFAOYSA-N	533.647	2.728	0	40	KFAB	
CCN(CC(=O)N1C[C@@H](C(=O)NCc2ccccc2)Oc2ccccc21)S(=O)(=O)c1cc(F)ccc1OC	226069816	SYOGCIOOXWWFTH-DEOSSOPVSA-N	541.601	2.956	0	40	KFAB	
COc1cccc(OC)c1C(=O)NN1C[C@H](C(=O)OCC(=O)Nc2cc(C)c(Br)cc2C)CC1=O	408661955	WMPMPBBLACHAGA-OAHLLOKOSA-N	548.390	2.758	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OC)c(OCCn3cc(C)cn3)c2)C[C@](O)(COc2ccc(C)cc2)C1	585273801	URFREFGQQAKJKX-SSEXGKCCSA-N	552.672	2.688	0	40	KFAB	
CC(C)[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCc2ccc(F)cc2)CCC(=O)N2CCC[C@@H]2C(=O)N1	643571127	YTKLFSFPVIIXBK-ISJGIBHGSA-N	552.647	2.587	0	40	KFAB	
CC(C)C[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCC2CCOCC2)CC(=O)N[C@H](CC(C)C)C(=O)N1C	643585030	YJTOINVCVOAZOR-ZKMPZPQNSA-N	558.720	2.514	0	40	KFAB	
CC/C=C(/C(=O)NC1=C([O])N2C(C(=O)O)=C(COC(=N)O)CS[C@H]12)c1csc(CC(=O)OC(C)(C)C)n1	1560407712	YSUWSICRSPLEPZ-HXUWFJFHSA-N	551.623	2.773	0	40	KFAB	
CCOc1cccc(-c2nnc(SCC(=O)Nc3ccc(S(=O)(=O)Nc4cc(C)nc(C)n4)cc3)n2N)c1	1900493	CHPKFGGCMUSUGN-UHFFFAOYSA-N	554.658	2.996	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1	3261216	ASGXBXNQOGOPBY-UHFFFAOYSA-N	522.630	2.526	0	40	KFAB	
CCN(C(=O)CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1	3400881	TYHNAWQUXVXTNY-GOSISDBHSA-N	500.602	2.791	0	40	KFAB	
Cc1c2c(=O)n(-c3nc4ccccc4s3)[nH]c2cc(=O)n1CCN1CCN(C(=O)c2ccccc2F)CC1	3765662	YGGHOBZPLFKHHD-UHFFFAOYSA-N	532.601	2.996	0	40	KFAB	
COCCNC(=O)[C@H](c1ccc2ncccc2c1)N(CCc1ccccc1)C(=O)c1snc(C(N)=O)c1N	6136212	PMEGYSVGLYADHA-QHCPKHFHSA-N	532.626	2.561	0	40	KFAB	
CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@](CC)(c3ccc(OC)cc3)C2=O)cc1	14111439	SHLKPBNKHZLCTB-XMMPIXPASA-N	502.593	2.522	0	40	KFAB	
COc1ccc([C@@H](C(=O)NCCC(C)C)N(CCN2CCOCC2)C(=O)Cn2nnc3ccccc32)cc1	20109324	GSXSQQWJEPPHJI-MHZLTWQESA-N	522.650	2.504	0	40	KFAB	
Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)NCc3ccc4c(c3)OCO4)[nH]c2=O)cc1Cl	21089320	PBNRMJIDASWYNU-UHFFFAOYSA-N	507.977	2.702	0	40	KFAB	
CSc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1C(=O)N1CCOCC1	26117867	DCAPRWDCIDDCBG-KRWDZBQOSA-N	519.645	2.591	0	40	KFAB	
Cc1oc2c(C)c3oc(=O)c(CCC(=O)N[C@@H](CCCNC(N)=O)C(=O)NCCCC(=O)O)c(C)c3cc2c1C	70706059	RRHCXXCNIUNGBG-NRFANRHFSA-N	556.616	2.620	0	40	KFAB	biogenic
CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	222964950	NEYRHOIQWPPWEE-LJQANCHMSA-N	505.637	2.803	0	40	KFAB	
CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	223122698	KCXRQQHHZMNYPV-IBGZPJMESA-N	512.028	2.677	0	40	KFAB	
CC[Sn](O)(O[Sn](Cl)(CC)c1ccccc1)c1ccccc1	231944869	QPQKIONOJJYQPX-UHFFFAOYSA-L	518.217	2.973	0	40	KFAB	
C[C@@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@]4(C)[C@@H]3CC=C3[C@H]5[C@@H](C)[C@H](C)CC[C@]5(C(=O)O)CC[C@]34C(=O)O)C2(C)C)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	253387430	IIIOQVDDEWZCEQ-VWSUDMCQSA-N	794.976	2.830	0	40	KFAB	biogenic,in-vitro
CCc1ccc(S(=O)(=O)N2CCO[C@@](COc3cccc(Cl)c3)(CC(=O)N3CCN(C)CC3)C2)cc1	257226088	FJCLXPRSVVUGOI-SANMLTNESA-N	536.094	2.905	0	40	KFAB	
O=C(Nc1cccc(F)c1)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	409025840	YDRNJDFQGVUNPF-QFIPXVFZSA-N	503.577	2.528	0	40	KFAB	
CCOc1cc(/C=c2\sc3n(c2=O)[C@H](c2cc(OC)ccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)ccc1OCC(=O)N1CCOCC1	409170907	XYRSKOZQKQGDKZ-KMCFWPMWSA-N	678.808	2.757	0	40	KFAB	
COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)[C@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1	583652710	LZKPGJSLLINVAU-KMDXXIMOSA-N	501.668	2.834	0	40	KFAB	biogenic
Cn1cnc(S(=O)(=O)N2CCO[C@@H](c3cccc(Nc4ncc(CNC(=O)c5cccc(F)c5)s4)n3)C2)c1	2037835879	FINZCRGOALIKQJ-HXUWFJFHSA-N	557.633	2.847	0	40	KFAB	
O=C1[C@H]2[C@@H](C(=O)N1C[C@@H]1CCCO1)[C@H](Cc1c[nH]c3ccccc13)N[C@@]21C(=O)Nc2ccc(Cl)cc21	15971531	DRZILLRKJDQDCB-UQBRPQJYSA-N	504.974	2.963	0	40	KFAB	
O=C(C[C@H](NCc1ccccc1)C(=O)O)Nc1ccc(NC(=O)C[C@H](NCc2ccccc2)C(=O)O)cc1	16778912	XTPONWZFHNDLOE-ZEQRLZLVSA-N	518.570	2.830	0	40	KFAB	
O=C(Cc1ccccc1)N[C@@H]1C(=O)N2[C@H](C(=O)OC(c3ccccc3)c3ccccc3)[C@H](O)CS[C@H]12	21986007	JSNDVKXNQUBARH-GJGGBTFWSA-N	502.592	2.691	0	40	KFAB	
CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)[C@H](C)CC)C(=O)O	70700037	ZADGHZJEVVLUPY-FFCPMTHWSA-N	536.629	2.620	0	40	KFAB	biogenic
COc1ccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1OC	100472003	KOTWTUIYGLEYQV-OAQYLSRUSA-N	557.591	2.739	0	40	KFAB	
O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(Br)cc1	102100838	XFWWSCRKANLMNU-NRFANRHFSA-N	548.869	2.580	0	40	KFAB	
CC(C)NS(=O)(=O)c1ccc(Br)c(C(=O)O[C@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c1	103121248	PKRSVEOSMYEAHD-LLVKDONJSA-N	580.379	2.853	0	40	KFAB	
COc1ccc(OC)c(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c1	222641097	PFDPXENBWYLEES-SFHVURJKSA-N	505.637	2.802	0	40	KFAB	
CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@H](Cc2ccccc2)C(=O)NCCO)cc1	223163034	YLUJQBMCLLTOES-HHHXNRCGSA-N	555.672	2.805	0	40	KFAB	
COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(SC)cc2)cc1S(=O)(=O)N1CCCCC1	225123994	RWPAQRDDMADABQ-UHFFFAOYSA-N	527.690	2.851	0	40	KFAB	
Cc1ccc(CN(C(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)[C@H](C)C(=O)NCC(C)C)cc1	260893569	LZPAMJDAGRAYJH-HXUWFJFHSA-N	506.644	2.936	0	40	KFAB	
CCOc1cc(/C=C2\SC(=O)N(CC(=O)O[C@@H](C)CC)C2=O)ccc1OCC(=O)N1CCOCC1	409198569	HXQJVFRXLBATAV-SMEDBKPVSA-N	506.577	2.701	0	40	KFAB	
O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4cc(-c5ccncc5)ccc41)CC[C@@H]3O)N(C1CCCC1)C2	514287624	RKAGNXPFIDLFOJ-QIXRUXETSA-N	534.657	2.671	0	40	KFAB	
CCc1nccn1CCOc1cc(CN2CCN(C(=O)COC)C[C@@](O)(COc3ccc(F)c(F)c3)C2)ccc1OC	585275012	TWBBSCVFTLHAJF-SSEXGKCCSA-N	588.652	2.912	0	40	KFAB	
CC(=O)N1CCN(CC2(O)CCN(c3cccc(F)c3)CC2)C[C@](O)(COc2ccc(F)c(C)c2)C1	585282012	FNTBMDJXPFCSHR-HHHXNRCGSA-N	503.590	2.579	0	40	KFAB	
CCCN1CCC2(CCOc3cc(-c4cccc(OC)c4)ccc3S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)N2)CC1	1548888800	AXQAHUWZGYFOAO-VWNXMTODSA-N	543.686	2.629	0	40	KFAB	
COC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cn(Cc2ccccc2)cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](N)CC(C)C	4059832	CEFIKNVKGSMLOV-UNFRKHOWSA-N	598.789	2.567	0	40	KFAB	
CCOc1ccccc1C(=O)N[C@H](C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)C(C)C	12487304	QCOFBXYVFTTXGG-QHCPKHFHSA-N	519.620	2.508	0	40	KFAB	
CC1CCN(S(=O)(=O)c2cc(Br)cc(C(=O)N3CCN(c4ncccn4)CC3)c2)CC1	13014589	DIGFVRUVIRNDOD-UHFFFAOYSA-N	508.442	2.622	0	40	KFAB	
CCOC(=O)c1c(NC(=O)CN2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)sc(C(C)=O)c1C	13141097	IRAXTDWXAYCQAK-UHFFFAOYSA-N	521.661	2.998	0	40	KFAB	
C[C@H](C(=O)NC(C)(C)C)N(C(=O)C[S@@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1cccc(F)c1	19941172	BGPYPFNJZWPPLU-QXPWRNTLSA-N	505.568	2.578	0	40	KFAB	
CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5ccc(Br)cc54)[C@@H]3C2=O)cc1	33749071	ACKCYGFTOUKEJR-CMCWBKRRSA-N	510.344	2.806	0	40	KFAB	biogenic
CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)[C@@H](C)Oc2cccc(Cl)c2)CC1	38139413	FHLPOAYUGKCAEE-LJQANCHMSA-N	537.082	2.909	0	40	KFAB	
C[C@H](NS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1)c1ccccc1	59838927	WXUDXBZUZSMCPR-IBGZPJMESA-N	531.656	2.672	0	40	KFAB	
CN(C)CCCN(C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1nc2cc3c(cc2s1)OCCO3	60232400	QSMGLZTZPJAMNL-UHFFFAOYSA-N	546.671	2.687	0	40	KFAB	
O=C1CSC(=O)N1CCN(c1ccccc1)[C@@H]1SC(=O)N(CCN2C(=O)c3ccccc3C2=O)C1=O	101112360	NCANAJCRUIFUFJ-JOCHJYFZSA-N	524.580	2.506	0	40	KFAB	
COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc(Br)c1OCC(=O)O	106755520	FLANZWAWEUAMNE-DHDCSXOGSA-N	513.366	2.970	0	40	KFAB	
CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1)S(C)(=O)=O	140104888	VWHHGWWUXABHGA-UHFFFAOYSA-N	533.632	2.698	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1	222614987	XRGWHHPTWRBUBU-LJQANCHMSA-N	541.601	2.956	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O	222854515	CAZUEDPPDRIUHZ-SANMLTNESA-N	539.654	2.856	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1	224425713	PDUKYXDCWFPLGZ-HXUWFJFHSA-N	553.678	2.596	0	40	KFAB	
CS(=O)(=O)N[C@@H](CC(=O)N1C[C@@H](C(=O)NCc2ccccc2)Oc2ccccc21)c1ccc(F)cc1	225943591	JEJPQPICXBVDLU-URXFXBBRSA-N	511.575	2.917	0	40	KFAB	
Cc1n[nH]c(SCCNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)n1	226004668	ZKIREBAUKQLVNR-UHFFFAOYSA-N	524.466	2.975	0	40	KFAB	
CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)c1	226083495	QRTVDJSASDAXLD-HNNXBMFYSA-N	530.466	2.705	0	40	KFAB	
O=C(/C=C/c1cccc(C(F)(F)F)c1)N1CCCCOC[C@@H](O)[C@H](O)[C@@H](O)CN(C(=O)c2ccc(F)cc2)CC1	643551685	CFDZRTXJGPLMPP-DUTKVHNRSA-N	568.564	2.722	0	40	KFAB	
COc1cccc(-c2ccc3c(c2)O[C@H]2CN(C4CCC(F)(F)CC4)C[C@H]2N(C)C[C@@H](O)CNS3(=O)=O)c1	1534613795	YPABIHZKOVLOTO-PWWKTKHKSA-N	551.656	2.956	0	40	KFAB	
COC(=O)c1sc(NC(=O)COC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2cccs2)c(C(=O)OC)c1C	2657015	KFAHOJKEODDQNQ-QGZVFWFLSA-N	592.673	2.989	0	40	KFAB	
CC(C)C[C@H](NC(=O)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(C)C)C(N)=O	6134921	KXYQTNFTLYPKFE-BHDDXSALSA-N	515.655	2.761	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)OC)cc3)c(=O)n2[C@@H]1c1ccc(C)cc1	8454173	FAUPKXWBCBEVSZ-JRXNCPAPSA-N	506.580	2.659	0	40	KFAB	
COc1ccc2c(C)c(CC(=O)N[C@@H](CCSC)C(=O)N3CCC(C(=O)O)CC3)c(=O)oc2c1C	8790866	UGHSHNPYOMZPQJ-IBGZPJMESA-N	504.605	2.522	0	40	KFAB	biogenic
Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccc(O)cc1	12473885	SKEYFTWNKYGHNU-LAUBAEHRSA-N	509.588	2.522	0	40	KFAB	
C[C@@H]1CCc2c(sc(N3CC(=O)N(c4sc5c(c4C(N)=O)CC[C@@H](C)C5)CC3=O)c2C(N)=O)C1	12936891	VPLPBOMRABBSRN-VXGBXAGGSA-N	500.646	2.637	0	40	KFAB	
CCCn1cc(C(=O)N2CCN(CC(C)C)CC2)c(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)n1	67337399	AUFATZISLOHWNM-UHFFFAOYSA-N	537.130	2.871	0	40	KFAB	
CCCN1CCN(C(=O)c2cn(CCC)nc2S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)CC1	67337847	BMNKELFFAIGURS-UHFFFAOYSA-N	523.103	2.625	0	40	KFAB	
COc1cc(C[C@@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc(OC)c1	100472148	OZQVSWXTDQZVCT-HSZRJFAPSA-N	557.591	2.739	0	40	KFAB	
CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)cc1	103057900	WVYYKKDRHDZLGX-UHFFFAOYSA-N	541.630	2.979	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O	222953198	LBSHYYVVQSIWCO-HNNXBMFYSA-N	514.417	2.908	0	40	KFAB	
Cc1cc(C(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)ccc1NS(=O)(=O)c1ccccc1	224226571	KCBVMZCDRPNXNQ-UHFFFAOYSA-N	517.629	2.855	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCCN(c3cccc(C)c3C)S(C)(=O)=O)CC2)cc1	225240752	FNXMNNVNJBMGCI-UHFFFAOYSA-N	507.678	2.691	0	40	KFAB	
COc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)cc1OC	260932038	XFKBBKMWZDFQDY-HXUWFJFHSA-N	519.664	2.968	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	261111997	XZENOMUBDXHRQB-ROUUACIJSA-N	523.627	2.941	0	40	KFAB	
CCc1cccc2c(/C=C3\SC(=O)N(CC(=O)N4CCOCC4)C3=O)cn(CC(=O)N(CC)CC)c12	409137415	WHNTUQKTJRSGHH-STZFKDTASA-N	512.632	2.967	0	40	KFAB	
CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC(=O)N(c2ccc(I)cc2)C1=O	1237476	KUSAXJSMJBNVIV-KRWDZBQOSA-N	553.422	2.989	0	40	KFAB	
CCC[C@H](c1nnnn1CC(=O)OCC)N(Cc1cccnc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3	1335558	JMBHIOUJUPUJIX-JOCHJYFZSA-N	533.589	2.788	0	40	KFAB	
O=c1[nH]c2cc3c(cc2cc1CN(Cc1ccc2c(c1)OCO2)Cc1nnnn1Cc1ccco1)OCCO3	1373960	VMXJRTFHXXMGER-UHFFFAOYSA-N	528.525	2.858	0	40	KFAB	
COc1ccccc1N1CCN(C(=O)C(F)(F)C(F)(F)C(=O)N2CCN(c3ccccc3OC)CC2)CC1	8432077	SNGUBFWCULKEIN-UHFFFAOYSA-N	538.542	2.972	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(CCCO)[C@@H](C(=O)NC3CCCC3)c3ccc(C)cc3)n2)cc1	12701912	QSMYOUPHAJZSID-RUZDIDTESA-N	506.607	2.668	0	40	KFAB	
NC(=O)c1nsc(C(=O)N(Cc2ccccc2F)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)c1N	38145870	VOKHBGDMCZTOPF-UTKZUKDTSA-N	529.569	2.781	0	40	KFAB	
C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)NCc4ccco4)cc3)cc2)C[C@H](C)O1	102970611	BBZFAXXURUMCKZ-ROUUACIJSA-N	533.628	2.808	0	40	KFAB	
CNS(=O)(=O)c1ccc(C)c(NC(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc2Cl)c1	222829748	ZIKHCMRNMLMETI-UHFFFAOYSA-N	516.041	2.795	0	40	KFAB	
CCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C	225378939	JSIZYDVPDOLKLJ-HSZRJFAPSA-N	504.653	2.642	0	40	KFAB	
CCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	225380973	WLSLJBSWNWDWED-QHCPKHFHSA-N	522.643	2.781	0	40	KFAB	
CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	225566044	RYKKIYNMAVBWDP-INIZCTEOSA-N	510.012	2.777	0	40	KFAB	
COC(=O)[C@]1(CCSC)N[C@H](c2ccc(F)cc2)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21	229942161	CITAGPGHBLMFIZ-QTDDQOEGSA-N	500.548	2.712	0	40	KFAB	
COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)N(CCCC(=O)O)C(=O)[C@@H]54)[C@@H]23)cc1OC	245235881	OYHUVFMUVOPDKA-CWLJHFRESA-N	530.624	2.792	0	40	KFAB	
CCOc1ccc(/C=C2/SC(=O)N(CCNC(=O)[C@H]3CS[C@]4(C)CCC(=O)N34)C2=O)cc1OC	255961438	PYKTUFMYUVOBIR-QJOCUPBBSA-N	505.618	2.700	0	40	KFAB	
CCOC(=O)c1ccc(NC(=O)COc2ccccc2/C=c2\sc3nc(-c4ccncc4)nn3c2=O)cc1	256055398	FMNBEEJJIJECNR-JCMHNJIXSA-N	527.562	2.955	0	40	KFAB	
COC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3Br)OCO4)c(=O)n2[C@H]1c1ccccc1	408752479	IRNLQYLGESTPID-FUJWGRRUSA-N	513.369	2.899	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)O)cc3)c(=O)n2[C@H]1c1cccc(OC)c1OCC	408905997	ABVUJLHGWQRGGP-ZBXXMNEPSA-N	552.605	2.669	0	40	KFAB	
CN(CCC[C@H]1C(=O)N(C)CCCCC2(CCN(C(=O)OC(C)(C)C)CC2)COc2ccccc2C(=O)N1C)C(=O)CNS(C)(=O)=O	643560937	NRCFCKFBLMORRY-SANMLTNESA-N	679.881	2.953	0	40	KFAB	
COc1ccc(CC(=O)N2CCCN(C(C)C)CCN(C(=O)[C@H]3COCCN(S(=O)(=O)N(C)C)C3)Cc3cccc(C)c32)cc1	643567113	REMJQHYQNGCRCG-GDLZYMKVSA-N	643.851	2.777	0	40	KFAB	
CC(C)[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCc2ccccn2)CCC(=O)N(Cc2ccccc2)CC(=O)N1	643577075	CXZAGPBFCISIRF-WUFINQPMSA-N	585.705	2.881	0	40	KFAB	
COc1cc(-n2c(S)nc(=O)c([C@H]3c4c(cc5c(c4OC)OCO5)CCN3C)c2O)cc(OC)c1OC	1815330	SMSPOUUVDXWGFY-LJQANCHMSA-N	529.571	2.567	0	40	KFAB	
CCCCn1c(SCC(=O)Nc2oc(C)c3c(C)n[nH]c(=O)c23)nc2cc(S(N)(=O)=O)ccc21	12535460	MKKOFOYQAMZWFZ-UHFFFAOYSA-N	504.594	2.661	0	40	KFAB	
Cn1c(CCC(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)nc(=O)c2ccccc21	12546981	OPMCFZYZADJNAP-UHFFFAOYSA-N	526.615	2.613	0	40	KFAB	
C[C@@H](C(=O)NC(C)(C)C)N(C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1F	12708892	JSTODYCWGVBITQ-HXQCJVTRSA-N	505.568	2.578	0	40	KFAB	
O=C(CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)N1CCN(S(=O)(=O)c2ccccc2)CC1	20481629	JAEAWCATDVJLRE-UHFFFAOYSA-N	515.588	2.535	0	40	KFAB	
CCCCN(C(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	32994484	JYKSHIALJAFXRI-UHFFFAOYSA-N	502.660	2.566	0	40	KFAB	
Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(Cc3ccccc3)CC1)n2CCSc1nc2ccccc2o1	56992068	UJXWTFSMNLPURO-UHFFFAOYSA-N	517.615	2.679	0	40	KFAB	
CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(N)(=O)=O)cc3)c(Cl)c2)cc1	59852218	HXMZFXBXQHCIGZ-UHFFFAOYSA-N	554.046	2.882	0	40	KFAB	
CCn1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c(=O)c2cc(F)c(N3CCN(C(C)=O)CC3)cc21	103015641	ZPYYMVGGXOVFJX-UHFFFAOYSA-N	569.659	2.866	0	40	KFAB	
C[C@H](OC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	103136931	KVXCYKIIAFZNIM-SFHVURJKSA-N	563.588	2.692	0	40	KFAB	
CN(C)c1ccc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]2[C@H]2C[C@H]3[C@@H]3C(=O)N(CCCC(=O)O)C(=O)[C@@H]23)cc1	105685430	FWPPYSXVNCBZKQ-SYGSTKOKSA-N	513.641	2.841	0	40	KFAB	
COc1ccc(N([C@@H](C)C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2OC)S(C)(=O)=O)cc1Cl	139733851	ODJKPMLFNFOESY-HNNXBMFYSA-N	546.067	2.935	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	224004293	LZPKIPNAMBAKMH-IBGZPJMESA-N	533.647	2.566	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2ccccc2OC)S(C)(=O)=O)[C@H](C)C(=O)NC(C)(C)C)cc1	260817947	WUCIXRNTAJXUNF-GOSISDBHSA-N	505.637	2.802	0	40	KFAB	
O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)N1CCN(C/C=C/c2ccccc2)CC1	408612854	ZGBAJBNJQVQDCI-QPJJXVBHSA-N	520.051	2.597	0	40	KFAB	
CCN1CCOc2ccccc2CCCC[C@]2(CN(C(=O)Cn3c(=O)oc4ccccc43)CCO2)C1=O	643555670	AEKSHQGAXJKEHL-NDEPHWFRSA-N	507.587	2.846	0	40	KFAB	
CC(C)Cc1cc(C(=O)N2CCCCNC(=O)c3cc(Cl)ccc3OC[C@@H](C)NC(=O)C2)n(C)n1	643559573	YQGCAMLWTCOELW-QGZVFWFLSA-N	504.031	2.822	0	40	KFAB	
CCN1CC(=O)N[C@@H](C(C)C)COc2ccccc2C(=O)N[C@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)CCC1=O	643578748	OTYQKRWRIGYXOI-RRPNLBNLSA-N	610.727	2.951	0	40	KFAB	
CCCNC(=O)[C@@H]1CC(=O)N(C)[C@@H](Cc2ccccc2)C(=O)NCCCCCCOc2ccccc2C(=O)N1	1615161695	WVMVUZGNQGRWAL-DQEYMECFSA-N	536.673	2.840	0	40	KFAB	
COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCCC(C)C)c2ccco2)cc1OC	6134284	YHGCSKPUESMJGY-HXUWFJFHSA-N	515.592	2.985	0	40	KFAB	
CCOC(=O)CNC(=O)[C@H](c1c[nH]c2ccccc12)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)cc1	6546904	RIYFIWYYYBLUQY-QFIPXVFZSA-N	534.598	2.681	0	40	KFAB	
CC(C)(C)NC(=O)CSc1nc2ccc(Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2s1	8438209	LMSWEHJMGMYTIB-UHFFFAOYSA-N	544.707	2.905	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(CC(=O)NCCC(C)C)c3cc(C)ccc3OC)n2)cc1OC	12479200	LTRQACOHFAADHH-UHFFFAOYSA-N	510.595	2.870	0	40	KFAB	
CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)[C@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1	12857595	KYXSSOMHPMLFJU-FQEVSTJZSA-N	510.591	2.540	0	40	KFAB	
O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl	12975643	SZJODHXYPIAYIV-DEOSSOPVSA-N	517.007	2.847	0	40	KFAB	
COc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1	102245569	GZISZYBOFMPVCC-NDEPHWFRSA-N	555.679	2.758	0	40	KFAB	
O=C1Nc2ccc(S(=O)(=O)N3CCN(S(=O)(=O)c4ccc5c6c(cccc46)C(=O)N5)CC3)c3cccc1c23	102645878	LXWWBYLBFOWNFH-UHFFFAOYSA-N	548.602	2.820	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O	224025399	VLCLXLODTQWUGN-MRXNPFEDSA-N	526.453	2.777	0	40	KFAB	
Cc1cc(OC[C@@]2(CC(=O)N3CCOCC3)CN(C(=O)Cc3c(C)noc3C)CCO2)ccc1Cl	585284017	GQENZLCMOARRPH-RUZDIDTESA-N	505.999	2.721	0	40	KFAB	
O=S(=O)(c1ccc(N2CN(S(=O)(=O)c3ccccc3)c3nc4ccccc4nc32)cc1)N1CCOCC1	3169912	MNQSUPDWWFRCBI-UHFFFAOYSA-N	537.623	2.955	0	40	KFAB	
COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC(C)(C)C)c2ccco2)c(OC)c1	6074664	GVSIUSASQSFZLZ-GOSISDBHSA-N	501.565	2.737	0	40	KFAB	
CC1(C)CC2(CC(C)(C)N1)OC(=O)N(CCN1C(=O)OC3(CC(C)(C)NC(C)(C)C3)[C@@]1(C)O)[C@@]2(C)O	8444186	WXAHUZVBJCOTTE-PSWAGMNNSA-N	510.676	2.667	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)N(c3cc(Cl)ccc3C)S(C)(=O)=O)CC2)cc1	13675833	MFLRFMKNQZBQQE-SFHVURJKSA-N	514.069	2.644	0	40	KFAB	
CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(Cc4ccccc4)CC3)cc2c1	19940372	XSXVBNBEMWQPQK-SHQCIBLASA-N	529.645	3.000	0	40	KFAB	
COc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1S(=O)(=O)N1CCCCC1	23510899	HUSOCTXJUXHJNA-UHFFFAOYSA-N	501.605	2.557	0	40	KFAB	
O=C(COC(=O)c1ccccc1C(=O)c1ccccc1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	25424916	KBMMBJZJHQUYLW-UHFFFAOYSA-N	508.552	2.734	0	40	KFAB	
COc1ccc(CN(Cc2cc3cc4c(cc3[nH]c2=O)OCO4)Cc2nnnn2C[C@H]2CCCO2)cc1	57642725	DMAXVKGXBCYQCK-OAQYLSRUSA-N	504.547	2.633	0	40	KFAB	
COc1cccc(CN[C@H]2CC(=O)N(c3ccc(N4C(=O)C[C@H](NCc5cccc(OC)c5OC)C4=O)cc3)C2=O)c1OC	96913802	NQKQKFIAUROWOV-ZEQRLZLVSA-N	602.644	2.564	0	40	KFAB	
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3ccc(COc4ccc(Br)cc4)o3)[C@H]2SC1	97966042	FYXQHTSRNCKMOY-DYESRHJHSA-N	551.371	2.536	0	40	KFAB	
O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(c2cccc(Cl)c2)CC1)Nc1cccc(C(F)(F)F)c1	102253647	IRCPHTKOMVQJQB-NRFANRHFSA-N	537.970	2.837	0	40	KFAB	
CC[C@@H](C)n1c(SCC(=O)Nc2ccc(C(N)=O)cc2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1	103141352	WBAVWGZUGDEGOO-QGZVFWFLSA-N	558.686	2.767	0	40	KFAB	
COc1ccc(OC)c(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3Cl)C2)c1	138916694	CREYYADSLZBNRQ-GFCCVEGCSA-N	510.330	2.686	0	40	KFAB	
COc1ccc(CCNC(=O)[C@H](C)N(Cc2ccccc2)C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	222702004	CYVQDMGJFRCMBR-DEOSSOPVSA-N	595.718	2.871	0	40	KFAB	
CC(C)CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222703868	FNXILTGPUVVTFB-QFIPXVFZSA-N	531.675	2.666	0	40	KFAB	
CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O	222840647	NFTFQBQDDAPBAR-JOCHJYFZSA-N	515.632	2.952	0	40	KFAB	
CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CCc1cc(S(=O)(=O)N2CCOCC2)ccc1OC	225302732	ZCLAKNXPOSXLHA-GOSISDBHSA-N	503.621	2.816	0	40	KFAB	
CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	225440948	LWZFMHLLBCULRK-NRFANRHFSA-N	503.621	2.557	0	40	KFAB	
Cc1ccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NCCCN4CCOCC4)CC3=O)cc2)cc1Cl	408577117	IFPQHLAUOCXKLR-HXUWFJFHSA-N	529.037	2.857	0	40	KFAB	
COc1ccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3ccc(Br)c(Cl)c3)CC2=O)cc1OC	408656185	MSCTWIOCDHAIAZ-ZDUSSCGKSA-N	554.781	2.795	0	40	KFAB	
COC(=O)c1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1	408689140	RLDWTZCCBVSUIS-ZGJXEWGXSA-N	504.539	2.597	0	40	KFAB	
Cc1ccc(C(=O)O)cc1S(=O)(=O)N(Cc1ccccc1)[C@H]1CS(=O)(=O)C[C@@H]1NCc1ccccc1	575426045	LGYCDPDMVJNKQE-ZEQRLZLVSA-N	528.652	2.840	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OC)c(OCCn3ccnc3C)c2)C[C@@](O)(COc2cccc(F)c2)C1	585281879	RUEGYEIAICRRJE-LJAQVGFWSA-N	556.635	2.519	0	40	KFAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N(C)CCOc2ccc(OC)cc2)CC(=O)N[C@H](Cc2ccccc2)C1=O	643578680	FQRAUSMUNFMIDF-WDYNHAJCSA-N	616.715	2.690	0	40	KFAB	
CCN1C(=O)/C(=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OC(C)C)=C(C)N=3)c2ccccc21	635488	QGIQMSXODMZKCL-ZHHPLPSFSA-N	517.607	2.932	0	40	KFAB	
O=c1[nH]c2cc3c(cc2cc1CN(Cc1cccnc1)S(=O)(=O)c1ccc2c(c1)OCCO2)OCCO3	919452	PBDKLOREFJMJKM-UHFFFAOYSA-N	521.551	2.857	0	40	KFAB	
CC(C)[C@@H](OC(=O)Cc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)C(=O)NC(N)=O	6144761	MSJQSRLXWORBPZ-GOSISDBHSA-N	501.483	2.811	0	40	KFAB	
CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=O)Nc1c(Cl)cc(Cl)cc1Cl	8856328	DZVCIZYWXBFEKF-NXHRZFHOSA-N	512.726	2.944	0	40	KFAB	
COc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1C	16044883	HNZWAQHCMWZOOF-MRXNPFEDSA-N	517.633	2.631	0	40	KFAB	
O=C(NCc1nnc(S)n1-c1ccc(Cl)c(Cl)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1	17357149	JUBRWIWXIUMUCN-UHFFFAOYSA-N	528.443	2.814	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C	20031152	IVVGPUBAGGMADB-UHFFFAOYSA-N	523.677	2.505	0	40	KFAB	
CCc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1)S(C)(=O)=O	22524627	VIULCVQGRXNBOC-UHFFFAOYSA-N	503.606	2.553	0	40	KFAB	
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F	66136382	HSTUEIMJAXJCTE-UHFFFAOYSA-N	537.610	2.733	0	40	KFAB	
CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	222932456	GYIRBXCRSOQUBQ-HSZRJFAPSA-N	506.644	2.813	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	223551255	KVRAWMQPVCGZRP-HXUWFJFHSA-N	506.644	2.815	0	40	KFAB	
Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCCOc3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2)cc1	224396468	HBCDNNGMYBUWAO-UHFFFAOYSA-N	563.742	2.907	0	40	KFAB	
CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(OC)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	224548786	UHFGLVLSZRRHIM-JOCHJYFZSA-N	513.616	2.706	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2cccc(C(C)=O)c2)S(C)(=O)=O)[C@H](C)C(=O)NC(C)C)cc1	260761295	TUNQKGBNGVBURK-GOSISDBHSA-N	503.621	2.606	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	261005486	SJPGKURGUWDBIP-MOPGFXCFSA-N	535.663	2.810	0	40	KFAB	
CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(F)cc2)C(C(=O)OCC)=C(C)N=3)cc1OC	408809453	OACURLMYUOLHCY-WDONWYDGSA-N	554.596	2.888	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)ccc3OC)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409033102	DLOUVCMDIBTATE-LMVGNEGFSA-N	596.658	2.766	0	40	KFAB	
CCOC(=O)COc1c(I)cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1OC	409400201	QLRXUDRBZRUIDF-NVNXTCNLSA-N	584.319	2.714	0	40	KFAB	
CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)c(Br)cc1OCC(=O)N1CCOCC1	409402081	VEABOWXBPICFEV-ZDLGFXPLSA-N	592.399	2.558	0	40	KFAB	
COc1cc([C@H](CC(=O)NC[C@@H](c2ccccc2)N2CCN(C)CC2)c2oc(C)cc(=O)c2O)ccc1O	604405150	XLJNRWBCEVEUGD-GOTSBHOMSA-N	521.614	2.995	0	40	KFAB	biogenic
CCN(CC)C[C@@H](O)COc1ccc(S(=O)(=O)c2ccc(OC[C@H](O)CN(CC)CC)cc2)cc1	4257943	LTOPLLSXFRYAET-FGZHOGPDSA-N	508.681	2.682	0	40	KFAB	
CCOc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NCCOC)c1ccc2ncccc2c1	6134439	FWMUIGAATGYDMC-HSZRJFAPSA-N	548.625	2.922	0	40	KFAB	
C[C@H]1CN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4C[C@H](C)O[C@H](C)C4)cc3)cc2)C[C@@H](C)O1	8857579	QXYDGVIKLJYDTR-FGYAAKKASA-N	508.662	2.949	0	40	KFAB	
Cc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(Cc2ccc(F)cc2)C(=O)c2snc(C(N)=O)c2N)o1	12715080	IZVQHXXRPYFBQO-OXJNMPFZSA-N	515.567	2.544	0	40	KFAB	
CCc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1	20676736	PIGHTPPSWMZNBJ-QHCPKHFHSA-N	531.579	2.746	0	40	KFAB	
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)O[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O	97980023	RTLFGPZMADZHIX-CIQXKXBYSA-N	562.048	2.586	0	40	KFAB	
Cc1cc(NC(=O)COC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)n(-c2ccccc2)n1	103070293	CPQHJQUZYSYZMO-UHFFFAOYSA-N	540.598	2.535	0	40	KFAB	
CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	222624069	IHTWQPMPIQDUDV-NRFANRHFSA-N	523.627	2.941	0	40	KFAB	
COCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O	223510619	HMXVASLFFYOMSA-MUUNZHRXSA-N	553.681	2.990	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225441452	SQSZMONWGNNXRR-WOJBJXKFSA-N	517.648	2.598	0	40	KFAB	
C[C@]1(O)COC2(CCN(C(=O)CCCn3c(C(F)(F)F)nc4ccccc43)CC2)C[C@@H]1n1ccc(O)nc1=O	257252682	JVSFNGFWNTULDQ-CYFREDJKSA-N	549.550	2.871	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)Oc3ccc(Cl)cc32)cc1	260892477	YZWQBZUMZOGPGS-HHHXNRCGSA-N	636.148	2.821	0	40	KFAB	
CO[C@@H]1CN(C(C)=O)C[C@H](CC(C)C)N(C(=O)/C=C/c2cccc(C)c2)CCCCOC[C@@H](O)[C@H]1O	643551334	BOAHPWUOEGFZSF-XIARCMBUSA-N	504.668	2.647	0	40	KFAB	
NS(=O)(=O)c1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc3nsnc23)cc1	2340895	UNDYCZNSKOKHJC-UHFFFAOYSA-N	513.586	2.826	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3/C(=O)Nc4ccc(Br)cc43)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	2799494	UHZFNGHPZKCYQM-MRJHHRETSA-N	584.448	2.900	0	40	KFAB	
O=C1NCCN(C(=S)Nc2cccc(C(F)(F)F)c2)[C@@H]1CC(=O)N1CCN(c2ccccc2)CC1	10339337	PEFYUUKABGRLFX-HXUWFJFHSA-N	505.566	2.942	0	40	KFAB	
COc1ccccc1N(C[C@H](O)CN(c1ccc(F)cc1)S(C)(=O)=O)S(=O)(=O)c1ccccc1	11851999	DYXYVQLVKXXUPG-HXUWFJFHSA-N	508.593	2.857	0	40	KFAB	
NS(=O)(=O)c1cccc(NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C[C@H]2CCCO2)c1	12529892	NKLMWMNFYPPPOG-MRXNPFEDSA-N	512.617	2.984	0	40	KFAB	
CCS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)Oc2ccccc21	26112793	PCOBDFDKPAPYEO-JOCHJYFZSA-N	507.634	2.807	0	40	KFAB	
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3ccc(F)cc3)S(C)(=O)=O)cc2)n1	44949305	MWJXMUUWJYCYIM-HNNXBMFYSA-N	507.569	2.518	0	40	KFAB	
O=c1[nH]c2cc3c(cc2cc1CN(Cc1ccc2c(c1)OCO2)Cc1nnnn1Cc1ccco1)OCO3	57643479	XUIFOWDKNXIQMF-UHFFFAOYSA-N	514.498	2.816	0	40	KFAB	
COc1ccc(C)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1)S(C)(=O)=O	59923443	NNGLXLKSQVSVBX-UHFFFAOYSA-N	533.632	2.616	0	40	KFAB	
COc1cc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@H](C)C4)cc3)o2)cc(OC)c1OC	97963815	ZGSPGHPFNYDOJC-GASCZTMLSA-N	532.575	2.813	0	40	KFAB	
CCOC(=O)c1ccc(NC(=O)Cn2c(=O)n(Cc3ccc(C(=O)NCCCOC)cc3)c(=O)c3ccccc32)cc1	101331651	ZFNUCXWYLSWGIN-UHFFFAOYSA-N	572.618	2.793	0	40	KFAB	
CC(C)OCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(C)S(C)(=O)=O	223187527	MNENFGCRRUCXPM-DEOSSOPVSA-N	521.655	2.588	0	40	KFAB	
COCCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	223293637	PZTJYTWIACSWOO-LJAQVGFWSA-N	581.691	2.619	0	40	KFAB	
CC(=O)NCCN(C)C1=C[C@@H]2Oc3cc(N(C)CCNC(C)=O)ccc3[C@]3(OC(=O)c4ccccc43)[C@H]2C=C1	306121291	DZABLMRNITYWGN-OGXMWTIWSA-N	530.625	2.572	0	40	KFAB	in-vitro
CCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3Cl)C2)cc1	408651721	DPFVANHUSAWYMR-AWEZNQCLSA-N	522.341	2.845	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OCCN3CCCCC3)cc2)C[C@](O)(COc2cc(F)cc(F)c2)C1	585274883	QJSRTJDNXFYJRN-GDLZYMKVSA-N	547.643	2.930	0	40	KFAB	
CS(=O)(=O)N1CCN(C(=O)CN2CCCCCCOc3ccccc3Oc3ncccc3C2)CC1	643576665	CLUSJIJKVKKLRH-UHFFFAOYSA-N	502.637	2.733	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3/C(=O)N(CC)c4ccccc43)c(=O)n2[C@H]1c1ccc(OC)cc1	728896	MRZDUUHSMSJREB-MOBKVPTQSA-N	503.580	2.544	0	40	KFAB	
COc1cccc(N(C(=O)Cn2nnc(-c3ccc(OC)c(OC)c3)n2)[C@H](C)C(=O)NCCC(C)C)c1	6134065	SJMLKGSGBPSOAS-GOSISDBHSA-N	510.595	2.950	0	40	KFAB	
COCCCNC(=O)CSC1=Nc2ccccc2C2=N[C@@H](CCC(=O)NCc3ccc(OC)cc3)C(=O)N12	8608866	PGLAPLIBNPUOKE-QFIPXVFZSA-N	537.642	2.636	0	40	KFAB	
COc1cc2c(c(OC)c1OC)-c1cc/c(=N\CCCN3CCN(C)CC3)c(O)cc1[C@@H](NC(C)=O)CC2	22802738	TYYMEJIXYRBGGO-QHCPKHFHSA-N	524.662	2.747	0	40	KFAB	biogenic
CCOc1ccc(/C=C2\SC(=O)N(CCNC(=O)[C@H]3CS[C@@]4(C)CCC(=O)N34)C2=O)cc1OC	32989030	PYKTUFMYUVOBIR-VXJJTXSKSA-N	505.618	2.700	0	40	KFAB	
CCN(CC(=O)Nc1c(F)cccc1F)C(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1	32999613	SULGHCHNKZJXQW-UHFFFAOYSA-N	523.558	2.639	0	40	KFAB	
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C(=S)NC(=O)c4cc(OC)cc(OC)c4)CC3)cc21	38152175	ZLGOTEYFWVRMRZ-UHFFFAOYSA-N	542.589	2.713	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OCC)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	59418604	BQIFUTDHLGSITD-DKOMQPSQSA-N	522.579	2.934	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)Cc2ccccc2)cc1C	59838070	WUXJJPXAKPCMRL-UHFFFAOYSA-N	531.656	2.548	0	40	KFAB	
Cc1c(N(C)S(=O)(=O)c2ccc(Cl)c(C(=O)NCC(C)(C)N3CCOCC3)c2)c(=O)n(-c2ccccc2)n1C	72138385	KBSHAAVIGUSLLG-UHFFFAOYSA-N	576.119	2.804	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OC)c3OC)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	100270934	REEALSYYUAZFIG-CVGPFBNFSA-N	554.621	2.841	0	40	KFAB	
CNS(=O)(=O)c1ccc(C)c(NC(=O)COc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)c1	222671800	LZQUQMPKLOLLOS-UHFFFAOYSA-N	517.629	2.741	0	40	KFAB	
CC(C)OCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O	222708191	LSLBUWIWFNJRAE-JOCHJYFZSA-N	503.665	2.797	0	40	KFAB	
CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCSc3nc(C)n[nH]3)c(C)c2)cc1	222807340	CZJZHRMXKXPXOT-UHFFFAOYSA-N	505.622	2.908	0	40	KFAB	
Cc1c(Cl)cccc1N(CCCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)S(C)(=O)=O	223355734	LFMUUQDSPKWDAV-UHFFFAOYSA-N	514.069	2.728	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl	224460505	APIAVIMDDORPAP-UHFFFAOYSA-N	586.132	2.734	0	40	KFAB	
CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	224859204	GCNZTGOGUFAJIO-KRWDZBQOSA-N	509.600	2.552	0	40	KFAB	
CCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	225384731	PIGLJKWYDXFRJC-NRFANRHFSA-N	501.605	2.563	0	40	KFAB	
COc1ccc2c(ccn2CCNC(=O)[C@@H](NC(=O)N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)C(C)C)c1	230277553	COWJGRZBLKVRGD-ZVOVDXHFSA-N	505.619	2.781	0	40	KFAB	
CCOC(=O)c1ccc(NC(=O)CN2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C[C@@H]3[C@H]3[C@@H]2Sc2[nH]c(=O)sc2C3(C)C)cc1	245228698	CPTVKKABNVQKSK-SFGZTYNLSA-N	541.651	2.871	0	40	KFAB	
CCc1noc(CCC(=O)N2CC[C@H]3NC(=O)[C@H](Cc4ccccc4)NC(=O)C4(CC=CC[C@H]3C2)CCOCC4)n1	2037880106	ZOAJILYPRGOPAY-GVAUOCQISA-N	563.699	2.772	0	40	KFAB	
CC(C)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	3929793	PBUNVLRHZGSROC-VTIMJTGVSA-N	577.726	2.521	0	40	KFAB	world
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C(=O)OC)CCC4)cc2)CC1	9434145	TYRBWILYWLPNQD-UHFFFAOYSA-N	521.617	2.739	0	40	KFAB	
CCOc1ccc(S(=O)(=O)NCCC(=O)NCCN2C(=O)S/C(=C/c3ccccc3)C2=O)cc1	35078726	CLFQCAPNGURHDT-CAPFRKAQSA-N	503.602	2.606	0	40	KFAB	
COc1ccc(NC(=O)Cn2c(=O)n(CCCc3nc(C)no3)c(=O)c3cc4c(cc32)OCO4)cc1Cl	200199574	MTIUJXRSKJGWCC-UHFFFAOYSA-N	527.921	2.517	0	40	KFAB	
C[C@@H](C(=O)NC[C@H]1CCCO1)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1	222890160	QUHPUKUXRYGOES-YADARESESA-N	531.650	2.912	0	40	KFAB	
CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	223159814	KSILMHOKKNCIGO-FQEVSTJZSA-N	503.621	2.903	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)[C@@H](C)C(=O)NCC(C)C)c1	224446529	GLJXZOSLNXCDHG-IBGZPJMESA-N	522.643	2.637	0	40	KFAB	
COC(=O)[C@]1(c2ccccc2)N[C@H](c2ccc(OC)cc2OC)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21	229996018	VCVXVWDIPVACJE-JPPUBGEISA-N	544.560	2.994	0	40	KFAB	
COc1ccc(OC)c(N(CC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)S(=O)(=O)c2ccccc2)c1	408602255	CVSAGYFLDGFDKB-UHFFFAOYSA-N	510.572	2.728	0	40	KFAB	
Cc1nn(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCCN2CCC3(CCCCCc4ccccc4OCCNC3=O)CC2)C1	643561416	KJZFABPLXJKNRS-MHZLTWQESA-N	628.840	2.639	0	40	KFAB	
O[C@H](COc1ccc(OC[C@H](O)CN2CCN(c3ccccc3)CC2)cc1)CN1CCN(c2ccccc2)CC1	898669	YFOLNQOMGGEODG-RNPORBBMSA-N	546.712	2.810	0	40	KFAB	
CCN(CC)C(=O)Cn1cc(S(=O)(=O)CC(=O)NCCc2ccc(OC)c(OC)c2)c2ccccc21	9519603	OQHXAUMXMKZKKV-UHFFFAOYSA-N	515.632	2.660	0	40	KFAB	
O=C(CCc1nnc2n(Cc3ccc(Cl)cc3)c(=O)c3ccccc3n12)N1CCN(c2ncccn2)CC1	101036660	KIHINEDULIXMIJ-UHFFFAOYSA-N	529.004	2.817	0	40	KFAB	
C[C@H]1CN(C(=O)COc2ccc(S(=O)(=O)c3ccc(OCC(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)cc2)C[C@@H](C)O1	103110032	SJSDDOOPPNKPAV-YSFYHYPLSA-N	560.669	2.549	0	40	KFAB	
CC(C)CN(C(=O)CN(C)C(=O)C12C[C@@H]3C[C@H](CC(Cl)(C3)C1)C2)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	104950067	SMUYGGTUVAPBTP-NNKNXWDPSA-N	522.090	2.800	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O	223667145	PXNDMWFBQMIXML-LJQANCHMSA-N	503.621	2.823	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	223699281	JGVSLKODZPXRNL-INIZCTEOSA-N	512.028	2.677	0	40	KFAB	
CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1OCC)S(C)(=O)=O	224989059	LEUOTOBXIUUVAW-IBGZPJMESA-N	505.637	2.803	0	40	KFAB	
CC(C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O	225691738	RVUVNJDDPJTVOU-HXUWFJFHSA-N	517.648	2.946	0	40	KFAB	
COc1ccc(-c2coc3ccc(O[C@H]4O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]4OC(C)=O)cc3c2=O)cc1	253623266	BMFOZSVMUKDKPN-PAQODBCHSA-N	598.557	2.931	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(N)=O)c(OCC)c3)c(=O)n2[C@@H]1c1ccccc1Cl	409204315	FUHWFCVFUKVFCX-QYAMMSNYSA-N	556.040	2.715	0	40	KFAB	
CN(C(=O)OC(C)(C)C)[C@H]1CC2(CCN(Cc3ccc(OCCOCCO)cc3)CC2)OC[C@]1(C)O	585271087	QQYSGIRZUZRTLK-OZXSUGGESA-N	508.656	2.816	0	40	KFAB	
COCC(=O)N1CCN(Cc2cccc(OCCn3cc(C)cn3)c2)C[C@](O)(COc2ccc(F)c(F)c2)C1	585273969	HLJZYQRFTHLEOS-MUUNZHRXSA-N	544.599	2.649	0	40	KFAB	
COCC(=O)N1CCCN(C(C)C)CCN(C(=O)COc2ccc3c(c2)OCCO3)Cc2ccccc21	643555057	SFOVIKNHWLVAQH-UHFFFAOYSA-N	511.619	2.959	0	40	KFAB	
Cc1c(N[C@@H](NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)C(Cl)(Cl)Cl)c(=O)n(-c2ccccc2)n1C	2677918	ONJBFGPYGJEHQQ-OAQYLSRUSA-N	572.858	2.554	0	40	KFAB	
COc1ccc(COC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)OCc2ccccc2)cc1	5542202	CRXSREULUSVSDD-HFZDXXHNSA-N	547.608	2.897	0	40	KFAB	
O=C(COc1ccc2c3c(c(=O)oc2c1)CCCC3)NCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)O	11866880	GAVKHDATXNVEDL-QHCPKHFHSA-N	506.555	2.759	0	40	KFAB	
Cc1cc(C)c2[nH]c(=O)c(CN(CCCN3CCOCC3)Cc3nnnn3Cc3ccccc3)cc2c1	12833049	OELXHLXRUGKAHS-UHFFFAOYSA-N	501.635	2.904	0	40	KFAB	
COc1ccccc1N1CCN([C@@H](c2cc3cc(C)ccc3[nH]c2=O)c2nnnn2C[C@H]2CCCO2)CC1	19826194	GZFPAJJTFZJULL-RLWLMLJZSA-N	515.618	2.922	0	40	KFAB	
CCOc1ccc(N2C[C@@H](C(=O)N3CCN(C(=O)[C@H]4CC(=O)N(c5ccc(OCC)cc5)C4)CC3)CC2=O)cc1	29747513	NOFPPOLQUWXPFN-VXKWHMMOSA-N	548.640	2.561	0	40	KFAB	
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)n1	30850922	RXRQFCLMRZAGRM-UHFFFAOYSA-N	517.633	2.916	0	40	KFAB	
Cn1cc(NC(=O)c2cc(NC(=O)CCCCCCC(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC(=N)N)n(C)c4)n(C)c3)cn2C)cc1C(=O)NCCC(=N)N	95548981	KVNUFHCWUFUAQY-UHFFFAOYSA-N	800.926	2.575	0	40	KFAB	
COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)CC1	103027275	UQZHBHUXMYFLSW-UHFFFAOYSA-N	579.697	2.696	0	40	KFAB	
O=C(Nc1nc(=O)c2ncn([C@@H]3O[C@@H](COC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@H]3O)c2[nH]1)c1ccccc1	104852176	HIJNYMIHLOJOED-BBFADADBSA-N	595.568	2.713	0	40	KFAB	
COC(=O)C[C@@H](c1ccc(C(=O)O)cc1)c1oc(CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc(=O)c1O	218103740	JOZLZXDTNSDMEU-SCWSEQNSSA-N	520.538	2.520	0	40	KFAB	
CCOc1ccc(CNC(=O)CCc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1OCC	223343896	ZBLNHJPXUVHCKP-UHFFFAOYSA-N	506.621	2.763	0	40	KFAB	
CCOc1ccc(N(CCCC(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)cc1	224336302	CBLUAAHYBNAMCP-UHFFFAOYSA-N	553.703	2.611	0	40	KFAB	
COc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1Br	224378663	CLKKDEKYSRADPA-UHFFFAOYSA-N	533.466	2.990	0	40	KFAB	
CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	225401241	IOEPXNYRXQDRRO-QFIPXVFZSA-N	535.663	2.812	0	40	KFAB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(O)c(OCC)c3)c2=O)=N[C@@H]1c1ccc(O)c(OC)c1	408730885	JVYMICJVWHVZPF-VVOOWDFBSA-N	510.568	2.726	0	40	KFAB	
C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCc1cc(=O)oc2cc(Br)ccc12	3417739	IZXOHXMVHFNTAD-WYRIXSBYSA-N	530.780	2.980	0	40	KFAB	
CCOC(=O)CNC(=O)[C@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(C)cc(C)c1	6546979	SVIQZUUJENMNBK-NRFANRHFSA-N	527.578	2.648	0	40	KFAB	
CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O	13714480	SAEZXVRBHJWZDN-FQEVSTJZSA-N	516.041	2.544	0	40	KFAB	
O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccccc1Cl	59781920	ISXKDBIOLLQOAQ-NRFANRHFSA-N	537.970	2.837	0	40	KFAB	
COC(=O)[C@@]1(CCSC)N[C@@H](c2ccccc2F)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21	100422225	XHKULFIEMQMMNF-UKDJSQQHSA-N	500.548	2.712	0	40	KFAB	
CCN(CC)S(=O)(=O)c1cccc(C(=O)OCCOC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)c1	102930683	RGBSHMHAUSIRAD-UHFFFAOYSA-N	540.660	2.761	0	40	KFAB	
COCCN(C(=O)c1cc(Br)c(Br)s1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	103019210	QZNPCPLYGPDNPX-UHFFFAOYSA-N	524.235	2.655	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)ccc3OC)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	207305508	FBPZXGKBDWOINT-LYRGBEMXSA-N	524.595	2.833	0	40	KFAB	
CC(C)OCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O	222862381	CBKOSHLYFLXEID-OAQYLSRUSA-N	521.655	2.936	0	40	KFAB	
CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O	223454567	IKLKOHPPEOOKKF-QHCPKHFHSA-N	505.637	2.803	0	40	KFAB	
C[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	224095891	CBJRHEAJXOXFHR-IBGZPJMESA-N	515.632	2.700	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O	225450921	GTHCTXNBCLOKMI-KRWDZBQOSA-N	510.454	2.995	0	40	KFAB	
CCOc1ccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@@H](C)C(=O)NC)S(C)(=O)=O)cc1	225479957	CKUCMVPNOVHMQN-INIZCTEOSA-N	526.453	2.777	0	40	KFAB	
CC(=O)O[C@H]1[C@H](O)CO[C@@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@@H]([C@@]6(C)CC[C@@H](C(C)(C)O)O6)[C@@H](O)C[C@@]3(C)[C@@H]5C[C@H](O[C@H]3OC[C@H](O)[C@@H](O)[C@@H]3O)[C@H]4C2(C)C)[C@@H]1OC(C)=O	252695036	TZHGYWCJIXHMJK-BUWGYWEXSA-N	839.029	2.505	0	40	KFAB	biogenic
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](OC(=O)CCCC(=O)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(=O)[C@H](C)[C@@H](O)[C@@]1(C)O	263595394	DLXKPWOBAXEREQ-FTSSPPIQSA-N	848.037	2.591	0	40	KFAB	
Cc1cccc(N(CC(=O)NC2CCCCC2)C(=O)C[S@](=O)CC(=O)Nc2ccc3c(c2)OCO3)c1	12710096	MRAZBAZSRUMKKC-BHVANESWSA-N	513.616	2.893	0	40	KFAB	
COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1OC	59929420	AWXAIRZZXBFSFT-XMMPIXPASA-N	567.664	2.667	0	40	KFAB	
CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)c1	103015686	KGZDWHUXENJETI-UHFFFAOYSA-N	564.730	2.981	0	40	KFAB	
Cc1ccc(CS(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)CC2)cc1	140075466	KOYGMAWZSAXXNL-UHFFFAOYSA-N	529.644	2.766	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O	222844937	JZGDHIVDZPVKKD-CQSZACIVSA-N	502.420	2.931	0	40	KFAB	
CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O	222867188	MQTVDYBVSAXHLG-HSZRJFAPSA-N	505.637	2.802	0	40	KFAB	
O=C1NC[C@H]2O[C@H](CCOc3ccccc3C(=O)N3CCN(CC4CCCCC4)C[C@@H]13)CC[C@H]2n1cc(CN2CCOCC2)nn1	253396098	DAIDUJXTFNJYFP-AUXUOOQGSA-N	635.810	2.505	0	40	KFAB	
COC(=O)c1cc(OC)c(OC)cc1NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(C)c2)CC1	408596173	TTXPIJSWTMFXJI-UHFFFAOYSA-N	506.577	2.847	0	40	KFAB	
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(CN(C)S(C)(=O)=O)cc3)cc2)c(OC)c1	408705252	ANENPNKEQLMZFH-UHFFFAOYSA-N	563.654	2.914	0	40	KFAB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(OCC(N)=O)c(Br)c3)C2=O)o1	409402603	XHIKNRSZCIYWED-MLPAPPSSSA-N	557.151	2.548	0	40	KFAB	
COc1ccc(OCCNC(=O)[C@@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N3CCC[C@@H]3COc3ccccc3C(=O)N2)cc1	643566753	YHJUIORKKJYVJF-GTTXMTDLSA-N	653.736	2.971	0	40	KFAB	
O=C1COc2ccccc2C[C@H](O)[C@H](O)CC2(CCN(C(=O)CC3CCN(CCc4ccccc4)CC3)CC2)CN1	643566897	YXNCGGLPLUIJOS-URLMMPGGSA-N	563.739	2.803	0	40	KFAB	
CC(C)[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCN2CCCCC2)CCC(=O)NC2(CCCCC2)C(=O)N1	643572569	ZLBNCXXPAJQPHS-DQEYMECFSA-N	569.747	2.520	0	40	KFAB	
CC(C)C[C@H]1NC(=O)CC[C@@H](C(=O)N(C)CCOc2ccccc2F)NC(=O)c2ccccc2OCCN(C)C1=O	643579798	FGDHTBMNUVHIIJ-BJKOFHAPSA-N	570.662	2.623	0	40	KFAB	
CC[C@]1(C)[C@H](O)CC[C@@]2(C)[C@@H]3C[C@@H](O)[C@@H]4[C@H](/C(C)=C\CC=C(C)C)CC[C@@]4(C)[C@H]3C[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@@H]12	2060999657	YCTQSBSHNMQDKH-DEBUQZMISA-N	767.010	2.953	0	40	KFAB	
C[C@H](Sc1nnc(-c2ccc(F)cc2)n1C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	2629609	KDTBKJYUQJKPBL-HNNXBMFYSA-N	505.597	2.761	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccc(Br)cc43)c(=O)n2[C@H]1c1ccccc1	2697426	IVWCYQGXLKSHQE-HQMFNGAOSA-N	524.396	2.883	0	40	KFAB	
NC(=O)c1nsc(C(=O)N(c2ccccc2)[C@@H](C(=O)NC[C@H]2CCCO2)c2c[nH]c3ccccc23)c1N	12467760	NZTUEHLMGIVIKN-OPAMFIHVSA-N	518.599	2.989	0	40	KFAB	
CCn1c(COC(=O)[C@@]23CCC(=O)N2c2ccccc2S3)nc2cc(S(=O)(=O)N(C)C)ccc21	13128486	KHONFZHNAZGRDB-QHCPKHFHSA-N	500.602	2.979	0	40	KFAB	
C[C@@H](NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1)c1ccccc1	13614669	OQVRADSRCREGMR-HYBUGGRVSA-N	513.641	2.628	0	40	KFAB	
CCOc1ccc(N([C@H](C)C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2OC)S(C)(=O)=O)cc1	20459673	SAROJMZDMNSTMR-QGZVFWFLSA-N	525.649	2.672	0	40	KFAB	
O=C(CSC1=Nc2ccccc2C2=N[C@@H](CCC(=O)N3CCN(c4ccccc4)CC3)C(=O)N12)NC[C@H]1CCCO1	33356297	ONXZYQIJFCFMMM-RDGATRHJSA-N	574.707	2.803	0	40	KFAB	
CCOc1ccc(NC(=O)Cn2c(=O)n(CCC(=O)NCc3ccc4c(c3)OCO4)c(=O)c3ccccc32)cc1	100852643	CXUIDEAYOKTTBS-UHFFFAOYSA-N	544.564	2.636	0	40	KFAB	
CCOC(=O)C1=c2s/c(=C\c3ccccc3OC)c(=O)n2C(N)=C(S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1OC	102633362	AUIPBZVXOGDRFW-IURUZKCNSA-N	604.706	2.826	0	40	KFAB	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@H](c6cccs6)O[C@@H]5[C@H](O)[C@@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O	150652465	NRUKOCRGYNPUPR-IRZQUPMHSA-N	656.662	2.753	0	40	KFAB	
CN(C)C(=S)SCC(=O)O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	195999495	FFOADDNQYWYFME-UHFFFAOYSA-M	528.287	2.776	0	40	KFAB	
Cc1cccc(CN(C(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C)c1	224160130	GMGAPJBVKGCSRF-IBGZPJMESA-N	503.621	2.679	0	40	KFAB	
CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	224859103	QSCCLHUMYQWLCS-KRWDZBQOSA-N	509.600	2.552	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	224986623	YDMDKQBPLLRWNV-RBUKOAKNSA-N	505.637	2.802	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1Br)S(C)(=O)=O	225424293	YEGBKMNOJOQKRT-AWEZNQCLSA-N	500.390	2.518	0	40	KFAB	
CO[C@H]1[C@@H](O)C[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]1C	253981636	IYJMSDVSVHDVGT-VEEKIKOSSA-N	794.976	2.872	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	261006445	FZZTWDFMYQNRAJ-MSOLQXFVSA-N	523.627	2.941	0	40	KFAB	
COc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1C(=O)N1CCOCC1	408693463	VQEKNSBBCQZESW-UHFFFAOYSA-N	502.330	2.573	0	40	KFAB	
C[C@@H]1NC(=O)CCCN(C)C(=O)CC[C@@H](C(=O)NCc2ccc(CN3CCOCC3)cc2)NC(=O)c2ccccc2OC[C@H](Cc2ccccc2)N(C)C1=O	643578153	NXXKZVJNERLPOY-BDVXFIEHSA-N	754.929	2.919	0	40	KFAB	
COCCN1C[C@H](O)C(C)(C)COCCC[C@H]2CN(Cc3ccc(S(C)(=O)=O)cc3)CC[C@H]2CC1=O	1534609808	SLJASBSLJGRZIP-LSQMVHIFSA-N	524.724	2.591	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccc(Br)cc43)c(=O)n2[C@@H]1c1cccs1	2697638	QOVGQKYTIPTBIC-FXBHHXAOSA-N	530.425	2.945	0	40	KFAB	
CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)c2ccc(N3CCCC3=O)cc2)c(=O)[nH]c1=O	13018036	BBXKAYZCDWDDSK-UHFFFAOYSA-N	505.575	2.901	0	40	KFAB	
CCOC(=O)C[C@@H](NC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(C)cc1)c1ccc(OC)cc1	29747424	ZJILGJSIAZTAJW-JOCHJYFZSA-N	579.679	2.702	0	40	KFAB	
COc1ccc2cc([C@]3(C)NC(=O)N(CC(=O)N4CCN(C(=O)c5cccs5)CC4)C3=O)ccc2c1	32722819	VWCZRZMNIUBAOQ-SANMLTNESA-N	506.584	2.662	0	40	KFAB	
C[C@H](NS(=O)(=O)c1ccc(CCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1)c1ccccc1	59852249	ALIVNHHWTRISRS-QFIPXVFZSA-N	571.721	2.996	0	40	KFAB	
COc1ccc(CCNC(=O)Cn2c(=O)n(CCCC(=O)NCc3ccc(F)cc3)c(=O)c3ccccc32)cc1OC	101304854	LXWJWRNCDDCACE-UHFFFAOYSA-N	576.625	2.775	0	40	KFAB	
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(I)cc3)S(C)(=O)=O)cc2)n1	215970540	AEPGZTUDGAMJMC-UHFFFAOYSA-N	615.475	2.904	0	40	KFAB	
CCCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CN(C)S(C)(=O)=O	223256964	YAHNNNAVTPTHJB-XMMPIXPASA-N	503.665	2.833	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(CC(=O)N4CCCC4)cc3)CC2)cc1OC	226074496	HAPPTRBVKUCJAA-UHFFFAOYSA-N	515.632	2.908	0	40	KFAB	
CS(=O)(=O)N(CC(=O)N1C[C@H](C(=O)NCCc2ccccc2)Oc2ccccc21)Cc1ccc(F)cc1	260731049	CAPLWPGMACMLPH-RUZDIDTESA-N	525.602	2.740	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OCCCN3CCCCC3=O)cc2)C[C@@](O)(COc2ccccc2)C1	585280556	POMKAEJNBJDPCW-PMERELPUSA-N	539.673	2.569	0	40	KFAB	
CCn1cc(NC(=O)CN2CC[C@@H]3NC(=O)[C@H](Cc4ccccc4)NC(=O)C4(CC=CC[C@H]3C2)CCOCC4)c(C)n1	1615126195	JTKPSVLOJHWYOS-QKDODKLFSA-N	576.742	2.831	0	40	KFAB	
COCCNC(=O)[C@H](c1ccc2ncccc2c1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(OC)c1	6136224	AIIQRTZBUFQEEN-QFIPXVFZSA-N	534.598	2.532	0	40	KFAB	
COc1ccc([C@@H](C(=O)NC(C)(C)C)N(C[C@@H]2CCCO2)C(=O)Cn2nnc(-c3ccc(C)o3)n2)cc1	12477758	KYXFKGKCNYEYIQ-REWPJTCUSA-N	510.595	2.914	0	40	KFAB	
Cc1ccc2c(c1)[C@]1(N[C@H](Cc3ccc(O)cc3)[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2	15968799	LIAUUERUCMHZKT-XOSJJEKJSA-N	511.534	2.593	0	40	KFAB	biogenic
CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2C=C(C)[C@H](CC(=O)N3CCN(C(C)=O)CC3)C[C@H]2C(C)C)cc1	30879802	FWEWWNOSDRFPOJ-FXSPECFOSA-N	532.707	2.859	0	40	KFAB	biogenic,in-vitro
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)C2)cc1	59838571	FYTGPHVNPUFCCU-OAQYLSRUSA-N	535.688	2.587	0	40	KFAB	
C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)CN([C@@H](CCCNC(=N)N)C(=O)O)C3=O	77257300	FVWRHZWMISXFKU-LPHIORKLSA-N	542.677	2.971	0	40	KFAB	biogenic,in-vitro
O=C(c1ccccc1)N1CCN(CC[C@H](O)COc2ccc(OC[C@H](O)CCN3CCN(C(=O)c4ccccc4)CC3)cc2)CC1	102448205	JIDZGGPXUDKLPQ-MEKGRNQZSA-N	630.786	2.862	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O	222798561	VTQSFKLTVFWQCD-CQSZACIVSA-N	502.420	2.931	0	40	KFAB	
COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)cc1	222934789	LNROSEAXLWMAMM-JOCHJYFZSA-N	625.700	2.557	0	40	KFAB	
COc1cccc(CN(C(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)[C@H](C)C(=O)NC(C)C)c1	225662990	INTWEZYZNCNEET-GOSISDBHSA-N	501.605	2.562	0	40	KFAB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)ccc3O[C@H](C)C(=O)OC)C2=O)o1	409399458	IWIJJAWCERWBQT-PDICVPPASA-N	507.293	2.862	0	40	KFAB	
COc1ccc(CN2CCN(C(C)=O)C[C@@](O)(COc3ccc(F)cc3)C2)cc1OCCCn1ccnc1	585281291	YNBBWFXLIFDRKU-MUUNZHRXSA-N	526.609	2.974	0	40	KFAB	
CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2c1CCN(CC)C2	3007047	BBZVXTMOEDZMAM-UHFFFAOYSA-N	507.634	2.576	0	40	KFAB	
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	4213302	BSIJLJGDLNRGBY-NXWNEQKCSA-N	546.045	2.987	0	40	KFAB	in-man
COc1ccc(OC)c(-n2c(=O)[nH]c3cc(C(=O)NCCc4ccc(OC)c(OC)c4)ccc3c2=O)c1	4792926	MZPIPVIBOWODOW-UHFFFAOYSA-N	505.527	2.686	0	40	KFAB	biogenic
CN(C(=O)COC(=O)c1ccccc1SCC(=O)NC1CCCCCCC1)[C@@H]1CCS(=O)(=O)C1	8685459	BKADMGIUUPUXTE-LJQANCHMSA-N	510.678	2.810	0	40	KFAB	
Cc1ccc(NC(=O)CSCCC(=O)OCC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1	13165272	KHPVKMSDESVPRU-OAQYLSRUSA-N	504.630	2.820	0	40	KFAB	
CSc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1C(=O)N1CCCC1	26114938	KLWBDMSWKLGNQL-UHFFFAOYSA-N	503.646	2.880	0	40	KFAB	
O=C(CSc1nnc(-c2cccs2)n1C1CC1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1	96021425	KSUTVXBOTNPZQB-UHFFFAOYSA-N	590.753	2.930	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1	103102782	HAXJBCFXSQWPHO-QGZVFWFLSA-N	549.627	2.501	0	40	KFAB	
O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1	215956337	UCEPNUPIVQVLKE-QHCPKHFHSA-N	551.606	2.872	0	40	KFAB	
CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	222634985	BRYFOOITACKMLA-HXUWFJFHSA-N	507.584	2.652	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O	222804768	RNRYGHYRGFQGEI-CQSZACIVSA-N	502.420	2.931	0	40	KFAB	
Cc1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1S(=O)(=O)N1CCCCC1	224303416	ZBAVHPHCWIFYFU-UHFFFAOYSA-N	535.688	2.763	0	40	KFAB	
CC(C)CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	224508841	ISCMJSYGDTXWCX-FQEVSTJZSA-N	506.644	2.671	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	225536912	YVUWLNHAJFFQNQ-HSZRJFAPSA-N	505.596	2.526	0	40	KFAB	
COC(=O)CSc1nnc(NC(=O)C2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2)s1	225792125	ANVBRDFXOKYQTJ-UHFFFAOYSA-N	505.043	2.637	0	40	KFAB	
CC(C)C[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)C(N)=O	245380220	UKOYGZDVMPSONY-BDTNDASRSA-N	520.671	2.644	0	40	KFAB	
COc1ccc(N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1OC	260923814	GVVBMCMIRVQDOS-GOSISDBHSA-N	505.637	2.802	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\Nc3ccc(C(=O)O)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	408865715	DRCSIEFXULVCIB-VLOXRPPESA-N	523.567	2.535	0	40	KFAB	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCCO4)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC	408943801	MDCBQGJLPXZGRL-VMOHIOPYSA-N	512.971	2.841	0	40	KFAB	
COc1ccc(OC)c(N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	409174963	WWHZXMVJZYYZIR-UHFFFAOYSA-N	593.680	2.951	0	40	KFAB	
CS(=O)(=O)CC[C@H](C(=O)OCC(=O)c1ccccc1)N1C(=O)c2ccc(C(=O)OCC(=O)c3ccccc3)cc2C1=O	409180295	QPEXDDRXVTXBIU-XMMPIXPASA-N	591.594	2.552	0	40	KFAB	
COc1cc([C@@H](CC(=O)NCCC(=O)Nc2ccc(NC(C)=O)cc2)c2oc(C)cc(=O)c2O)ccc1O	524730518	LNASLFBEEHFWCS-HXUWFJFHSA-N	523.542	2.993	0	40	KFAB	biogenic
CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCOc2ccc(Cl)cc2)CCC(=O)N[C@H](Cc2ccccc2)C1=O	643580492	MYSQFHGSYICXNH-RRPNLBNLSA-N	607.107	2.992	0	40	KFAB	
O=S1(=O)N=C2CCCCCN2[C@@H](CSc2nnc(CN3CCCCC3)n2-c2ccc(F)cc2)N1	3331810	WPEKQDDAELGANF-NRFANRHFSA-N	507.661	2.933	0	40	KFAB	
CCOc1ccc([C@@H]2C(C(=O)OC)=C(C)N=c3s/c(=C\c4ccc(N5CCN(C)CC5)o4)c(=O)n32)cc1OCC	8767211	DBFXIMVGZSPFKC-LMTOTAIGSA-N	566.680	2.550	0	40	KFAB	
COc1cccc(N(C(=O)Cn2nnc(-c3ccc(OC)c(OC)c3)n2)[C@@H](C)C(=O)NC2CCCC2)c1	12701614	GWYAKSQPNRXANF-KRWDZBQOSA-N	508.579	2.846	0	40	KFAB	
COC(=O)[C@@H](C)Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1-c1ccc(F)cc1	13113254	SPSFRIHBHWWORM-OAHLLOKOSA-N	506.581	2.748	0	40	KFAB	
O=C(O)c1cccc(S(=O)(=O)N2CCC[C@@H](c3nc(O)c4nnn(Cc5ccccc5Cl)c4n3)C2)c1	38145715	LDIVAESONBPBBN-MRXNPFEDSA-N	528.978	2.895	0	40	KFAB	
O=c1[nH]c2cc3c(cc2cc1CN(Cc1nnnn1CCc1ccccc1)C[C@@H]1CCCO1)OCCO3	57640538	UMBKMWHKCKYMDC-QFIPXVFZSA-N	502.575	2.710	0	40	KFAB	
CNC(=O)c1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cc(OC)ccc3OC)cc2)ccc1OC	100092455	UGJWWULVLDGHFZ-UHFFFAOYSA-N	535.600	2.674	0	40	KFAB	
CCOc1cc(C(=O)N(C)CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)ccc1OC(F)F	103038443	TUFMYXKGNAGHGG-UHFFFAOYSA-N	539.580	2.536	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	222531419	WRFGGXFAKMMOQT-AUSIDOKSSA-N	547.674	2.955	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	222580017	NYAMSAHQFOYPTH-KRWDZBQOSA-N	524.039	2.821	0	40	KFAB	
CN(CC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)S(C)(=O)=O	223185842	FGJFWSCFQFZCDK-VWLOTQADSA-N	511.619	2.973	0	40	KFAB	
COc1cccc(N(CCCC(=O)Nc2cc(S(=O)(=O)NC(C)C)ccc2OC)S(C)(=O)=O)c1	225394073	GTEHPOTZPBDZRE-UHFFFAOYSA-N	513.638	2.575	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)cc1	226047719	JPDLTAHXSHNNJV-UHFFFAOYSA-N	549.715	2.629	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NCC(C)C)c1ccc2c(c1)OCO2	260918073	SJMUQBAAPFFCCC-LJQANCHMSA-N	503.621	2.761	0	40	KFAB	
O=S1(=O)C[C@H](O)[C@@H](N(c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)S(=O)(=O)c2cccc3cccnc23)C1	575424880	BXZAXTVAMHUUEF-ZEQRLZLVSA-N	624.722	2.937	0	40	KFAB	
CC(C)[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCc2ccccc2)CCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1	643571764	IHGCWEIHAAQLEG-AWCRTANDSA-N	600.716	2.890	0	40	KFAB	
CC(C)(O)CCC(=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@H](O)C4(C)C)[C@@]3(C)C(=O)C[C@@]12C	1529054948	VVBWBGOEAVGFTN-GECCYLHUSA-N	520.707	2.944	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)OCC(=O)NCc1ccc2c(c1)OCO2	2638683	LEWOPVOCBZYUJJ-UHFFFAOYSA-N	524.551	2.649	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)cc3OC)c(=O)n2[C@@H]1c1ccccc1OC	2775319	FLTLDVAQRYNNMX-RWTNITNYSA-N	524.595	2.833	0	40	KFAB	
Cc1cccc(N2CCN([C@H](c3cc4cc5c(cc4[nH]c3=O)OCO5)c3nnnn3C[C@@H]3CCCO3)CC2)c1C	6443114	WMLKWPMPBCLKHJ-KDYSTLNUSA-N	543.628	2.951	0	40	KFAB	
Nc1c(C(=O)NCCc2ccccc2F)c2nc3ccccc3nc2n1-c1ccc(S(N)(=O)=O)cc1	9335114	FDWYLKMCECDKRQ-UHFFFAOYSA-N	504.547	2.915	0	40	KFAB	
C[C@H]1CCc2c(sc(NC(=O)CN3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)c2C(N)=O)C1	20572213	LUDVVRLAWLDIBS-AWEZNQCLSA-N	511.069	2.570	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)Cc2ccccc2F)cc1	59837712	NUTUTPHCKAJTOU-UHFFFAOYSA-N	575.684	2.662	0	40	KFAB	
Cc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@@H](C(=O)NCc3ccccc3)c3cccs3)n2)o1	100290302	JTLBJDOBZXNOHR-AREMUKBSSA-N	563.684	2.912	0	40	KFAB	
CCOC(=O)Cn1/c(=N/C(=O)c2ccc(C(=O)c3ccccc3)cc2)sc2cc(S(N)(=O)=O)ccc21	100877454	JYHHLAYFDULXAZ-RFBIWTDZSA-N	523.592	2.885	0	40	KFAB	
CN(C)c1ccc([C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4C[C@H]([C@H]5C(=O)N(CCCC(=O)O)C(=O)[C@H]45)[C@H]23)cc1	101175003	FWPPYSXVNCBZKQ-AFWONKAMSA-N	513.641	2.841	0	40	KFAB	
O=c1cccc2n1C[C@H]1C[C@H]2CN(S(=O)(=O)c2ccc3c(c2)OCCOCCOc2ccc(S(=O)(=O)N4C[C@H]5C[C@H](C4)c4cccc(=O)n4C5)cc2OCCOCCO3)C1	150520028	VEWPBOOJCZBIIR-HRDPQUPSSA-N	864.996	2.888	0	40	KFAB	
CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O	222867274	JBOINLROKQTOJO-QHCPKHFHSA-N	505.637	2.802	0	40	KFAB	
CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	224299845	KEDZGIOPLUFDGD-GOSISDBHSA-N	521.611	2.552	0	40	KFAB	
COc1ccc(C(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1S(=O)(=O)NCc1ccccc1	226045817	DFHPLVINYHHUMD-UHFFFAOYSA-N	557.694	2.931	0	40	KFAB	
COc1ccccc1[C@@H]1c2sc(=O)[nH]c2S[C@H]2[C@H]1[C@H]1C[C@H]2[C@@H]2C(=O)N(CCCC(=O)O)C(=O)[C@@H]12	245229436	XVVGVKNGWMLMJP-WQPZDMMBSA-N	500.598	2.783	0	40	KFAB	
CCOC(=O)N1CCN(C(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)c(C)c2)CC1	408550002	AMOLMCXVODPCEI-UHFFFAOYSA-N	503.621	2.538	0	40	KFAB	
Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)N1CCN(c2cc(Cl)ccc2C)CC1	408636183	XFTSAOABNJNDDS-UHFFFAOYSA-N	508.040	2.705	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/[C@H]3C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)c(=O)n2[C@H]1c1ccc(C)cc1	408834683	UYZBVYFZORVSJU-GRVSCZQWSA-N	595.102	2.776	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409034926	IOCAHYROFQWIJR-GLSAMTQTSA-N	536.606	2.749	0	40	KFAB	
Cc1nc(CC(=O)N2CCO[C@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCN(C)CC3)C2)cs1	585286616	PLUCCZGWYJVWSA-RUZDIDTESA-N	521.083	2.797	0	40	KFAB	
Cc1nn(C)cc1CCC(=O)N1CC[C@@H]2NC(=O)[C@@H](Cc3ccccc3)NC(=O)C3(CC=CC[C@@H]2C1)CCOCC3	1615105789	DEWPLJSBJMYDDR-OZNIXHKMSA-N	561.727	2.869	0	40	KFAB	
NS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)sc2c1	10708616	IPERHUHZPGMVNC-UHFFFAOYSA-N	528.637	2.943	0	40	KFAB	
CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N3CCN(C(=O)c4ccco4)CC3)cc2c1	19973303	WLMHDYWPYPLLNF-JOCHJYFZSA-N	505.579	2.809	0	40	KFAB	
CC[C@@H]1CCc2sc(C(=O)OCC(=O)N(CCOC)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)cc2C1	38140770	KIRWWGAGCYBTGO-QGZVFWFLSA-N	540.642	2.580	0	40	KFAB	
Cc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc3c(c2)OCCO3)cc1	38145863	LEEGEPYAIONGQW-FDDCHVKYSA-N	551.625	2.587	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2Cl)C1=O	64621946	UXSNYDQSKVOIOM-QHCPKHFHSA-N	555.440	2.728	0	40	KFAB	
CN(C)c1ccc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4C[C@H]([C@H]5C(=O)N(CCCC(=O)O)C(=O)[C@H]45)[C@H]23)cc1	101175001	FWPPYSXVNCBZKQ-ODWAURGVSA-N	513.641	2.841	0	40	KFAB	
COc1ccc(-c2nn3c(=O)cc(CN4CCN(S(=O)(=O)c5cc(F)ccc5F)CC4)nc3s2)cc1	102350451	GJTUWZCJIDUPLV-UHFFFAOYSA-N	533.582	2.611	0	40	KFAB	
Cc1ccc(C)c(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)S(=O)(=O)N(C)C)c1	215928427	RSFLLEGIAFJQOI-UHFFFAOYSA-N	546.675	2.763	0	40	KFAB	
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cccc(Br)c3)S(C)(=O)=O)cc2)n1	216323217	MAZJHUCLFACRFB-UHFFFAOYSA-N	554.448	2.753	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	222673313	CNZHBRXPUPGYOO-AWEZNQCLSA-N	519.426	2.909	0	40	KFAB	
O=C(NCCc1ccccc1)[C@H]1CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)c2ccccc2O1	222832392	GODJSFMHKSOVCE-HHHXNRCGSA-N	600.093	2.893	0	40	KFAB	
CCOC(=O)C1(c2ccc(NC(=O)COc3ccc(S(=O)(=O)NCCOC)cc3Cl)cc2)CC1	222836300	XTUMEGAIUHTQSU-UHFFFAOYSA-N	510.996	2.877	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	223699534	GXXFDLMJZPERMW-INIZCTEOSA-N	512.028	2.677	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)c2ccccc2C)cc1	224205076	GLSLWJAKNTXHNT-UHFFFAOYSA-N	545.683	2.944	0	40	KFAB	
O=C1NC[C@H]2O[C@H](CCOc3cc(-c4ccccc4)ccc3C(=O)N3CCN(CC4CC4)C[C@@H]13)CC[C@@H]2O	253405352	SDSZUJGLUQNYIM-QMMWJRKVSA-N	519.642	2.697	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	261055916	MXAPVAWGUORWEV-MSOLQXFVSA-N	510.607	2.910	0	40	KFAB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4ccccc4C(=O)O)c(=O)n32)cc1OCC	408948861	RQAFAZZIKICUHG-MUIAGPEESA-N	508.552	2.514	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(O)cc3O)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409035248	RRLHZTIIJQFKGT-ROOYPZPVSA-N	647.500	2.923	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCCC4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	409153041	CKDLUQBJYSSPDH-YIECNSLDSA-N	621.712	2.825	0	40	KFAB	
CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C[C@]23C)O1	584567121	PSOUXXNNRFNUAY-HVDCJKCLSA-N	654.882	2.507	0	40	KFAB	
COC1=C(Br)[C@@H](O)[C@]2(C=C1Br)CC(C(=O)NCCCCNC(=O)C1=NO[C@@]3(C=C(Br)C(OC)=C(Br)[C@H]3O)C1)=NO2	1529050258	BJWQSQOWGBUSFC-CHOVIJNXSA-N	818.108	2.842	0	40	KFAB	
COc1cc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4ccccc4F)CC3)c(=O)[nH]c2cc1OC	6136473	ZIFLGQHDDQUOTN-AFMDSPMNSA-N	549.607	2.762	0	40	KFAB	
CCN(CC)S(=O)(=O)c1cccc(C(=O)OCc2nc3ccc(S(=O)(=O)N(CC)CC)cc3[nH]2)c1	12565698	GJQBCPBHZXAFMW-UHFFFAOYSA-N	522.649	2.981	0	40	KFAB	
C[C@@H](OC(=O)COc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	12591421	AJMDETPJELKGNY-CQSZACIVSA-N	517.387	2.964	0	40	KFAB	
COCCN(C(=O)COC(=O)C1CCC(C(C)(C)C)CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	13013925	ZHEFJFJXZATDKE-UHFFFAOYSA-N	514.623	2.542	0	40	KFAB	
C[C@H](C(=O)NC1CCCC1)N(C(=O)C[S@@](=O)CC(=O)Nc1ccc(F)cc1)c1ccc2c(c1)OCCO2	17297579	AVAFVJUTTCCPCU-SAUQAEGZSA-N	531.606	2.765	0	40	KFAB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N1CCN(c2ccccc2)CC1	22831777	MSLUGRANQMHDKE-UHFFFAOYSA-N	507.612	2.998	0	40	KFAB	
COC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3Cl)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1	34942168	KYYVKCPDBFJTFO-FNUHDPNESA-N	512.971	2.996	0	40	KFAB	
CCOC(=O)/C=c1/s/c(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)c(=O)n1CC(=O)N(CC)CC	102964385	NCDMJFFVZCTJCT-VLWBIKIRSA-N	530.650	2.803	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CCCN(c1ccccc1OC)S(C)(=O)=O	223964038	TYOYNJYPEVOZLS-UHFFFAOYSA-N	525.649	2.673	0	40	KFAB	
COc1ccc(C)cc1N([C@@H](C)C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)S(C)(=O)=O	224408656	OVVANIZVLFTSLQ-FQEVSTJZSA-N	553.703	2.528	0	40	KFAB	
CCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O	224586925	DKPWSRNMHMEABJ-NRFANRHFSA-N	501.605	2.563	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3OC)CC2)cc1	225498340	ZVAAQMFVOWJXBL-UHFFFAOYSA-N	551.687	2.918	0	40	KFAB	
Cc1ccnn1CCC(=O)N1CC[C@H](Oc2cccc(Br)c2)[C@@H](CC(=O)N2CCOCC2)C1	257328744	XGXJMRNMPBPHON-UGKGYDQZSA-N	519.440	2.889	0	40	KFAB	
CCOC(=O)COc1ccccc1/C=c1/sc2n(c1=O)[C@@H](c1ccc(OCC)c(OCC)c1)C(C(=O)OC)=CN=2	408942788	LGZJRACOKRXTHI-GVMLUORFSA-N	566.632	2.757	0	40	KFAB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H]2CS(=O)(=O)C[C@H]2NCc2ccccc2)c(OC)c1	575425558	GIACHNZCFUCYEK-RPWUZVMVSA-N	530.668	2.850	0	40	KFAB	
CC(=O)OC[C@H]1O[C@@H](Oc2cccc(Oc3ccccc3)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	1505840602	FFJCMQMRBBJWRR-WSGIOKLISA-N	516.499	2.941	0	40	KFAB	
CC[C@H](C)OCCOCCOC(=O)[C@H](C)OC(=O)OCCOCCOC(=O)O[C@H](C)C(=O)OCCOCCO[C@@H](C)CC	4353211	XJGWOYZOZDTHEY-NEWJYFPISA-N	626.693	2.836	0	40	KFAB	
CCN(C(=O)COC(=O)c1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1)[C@H]1CCS(=O)(=O)C1	12541395	UMSXBCLNVBWSHT-FQEVSTJZSA-N	513.568	2.873	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)Cc2ccccc2)cc1	59838112	YZJBCJXLQUXRDC-UHFFFAOYSA-N	587.720	2.614	0	40	KFAB	
CCn1cc(C(=O)O)c(=O)c2cnc(N3CCN(C(=S)Nc4sc5c(c4C(=O)OC)CCCC5)CC3)nc21	98008166	RNJIMMDPDCRTLQ-UHFFFAOYSA-N	556.670	2.756	0	40	KFAB	
CCOC(=O)c1c(NC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c2ccc(NC(C)=O)cc2)sc2c1CCCC2	103063253	OALHULCHQQVJAM-AWEZNQCLSA-N	551.643	2.611	0	40	KFAB	
COc1ccc(N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c(OC)c1	224088975	ZMMRWZBGJLFCNP-FQEVSTJZSA-N	531.675	2.988	0	40	KFAB	
COC(=O)CSc1nnc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)c3ccc(C)cc3O2)s1	225408429	CTHSJBOVGJEMKR-QGZVFWFLSA-N	520.614	2.707	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1	225470846	JCIFQWINIPVCAQ-UHFFFAOYSA-N	521.661	2.909	0	40	KFAB	
O=C(NCCN1CCOCC1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1	408579446	NLUWYOXNJBGZLM-QGZVFWFLSA-N	504.509	2.759	0	40	KFAB	
COc1ccc(Cl)cc1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc(Br)cc2)C1	408656165	MRGMXNOVFGYNMG-ZDUSSCGKSA-N	524.755	2.786	0	40	KFAB	
COc1cccc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c1OCC(=O)Nc1ccc(C)cc1	409145555	QHPZOQBOWVWEFA-KGENOOAVSA-N	525.583	2.916	0	40	KFAB	
CC(C)C[C@H]1NC(=O)CC[C@@H](C(=O)NCCc2ccccn2)NC(=O)c2ccccc2OC[C@@H](C(C)C)NC(=O)[C@H](C(C)C)NC1=O	643551259	YIBOYGFVGFIDOL-NFAPWKBDSA-N	650.821	2.524	0	40	KFAB	
CC(C)C[C@H](NC(=O)[C@H](NC(=O)[C@@H](CCC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(N)=O	6134917	OQCSRTHUMNABCZ-FUPPJEDESA-N	548.681	2.560	0	40	KFAB	
COc1ccc(CCNC(=S)N(CCN(C)C)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1OC	6198565	RQLMMHOQPFVMIO-UHFFFAOYSA-N	526.659	2.797	0	40	KFAB	
O=C(c1ccc(Cl)cc1)c1c2c(=O)n(-c3cccnc3)c(=O)c2cc2c(=O)n(-c3cccnc3)c(=O)c12	9287799	MIKKNTPURWLMLI-UHFFFAOYSA-N	508.877	2.565	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)O)cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1	13154454	XSQDEOJNULNBPG-PSXBWXLBSA-N	512.971	2.915	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)n(C)c(=O)n4C)c(=O)n2[C@H]1c1ccc(Cl)cc1	16682453	XYSUCPKJTCYZEX-IMEWXKHHSA-N	523.014	2.642	0	40	KFAB	
Cc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)S(C)(=O)=O	19934234	IJTZFZUDGNPTHE-UHFFFAOYSA-N	509.997	2.644	0	40	KFAB	
CCOc1ccc(NC(=O)CN(C)C(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)cc1OCC	32966672	WKTNYRIQABMTAC-FQEVSTJZSA-N	527.618	2.989	0	40	KFAB	
CCCCN1C(=O)/C(=c2\sc3n(c2=O)[C@@H](c2ccc(OC)c(OC)c2)C(C(=O)OC)=C(C)N=3)c2ccccc21	100713542	JPPOXYQELPERPL-MYXKAAJQSA-N	547.633	2.942	0	40	KFAB	
CC(C)(C)OC(=O)N1[C@@H]2ON(C(=O)OCc3ccccc3)[C@H]([C@@H]3OC(C)(C)O[C@H]32)[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N21	103690129	YHPVQRNEIJZYRI-MEQPJSFWSA-N	608.648	2.889	0	40	KFAB	
C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(COc2ccccc2F)nnc1SCC(=O)c1c(N)n(C)c(=O)n(C)c1=O	108823611	DDXGBFDTSWBNOB-LUKYLMHMSA-N	542.637	2.948	0	40	KFAB	
COc1ccc(N([C@@H](C)C(=O)Nc2cc(S(=O)(=O)NC(C)C)ccc2OC)S(C)(=O)=O)cc1Cl	140028564	UHAULDBYMAPWGK-AWEZNQCLSA-N	534.056	2.837	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1F)S(C)(=O)=O	222856129	OPDHHDVFJPMORV-RUZDIDTESA-N	527.618	2.986	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	223148960	ZVZXXNJZDVSXED-HHHXNRCGSA-N	569.655	2.612	0	40	KFAB	
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](OC(=O)CCCC(=O)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(=O)[C@H](C)[C@H](O)[C@]1(C)O	263595393	DLXKPWOBAXEREQ-DILNZHDVSA-N	848.037	2.591	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\[C@H]3C(=O)NC(=S)N(c4ccccc4)C3=O)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1	409037637	YBUAZFKZOMIQOM-SHUQUKMTSA-N	634.736	2.610	0	40	KFAB	
COc1ccc(CN2CCN(C(C)=O)C[C@@](O)(COc3ccc(F)cc3)C2)cc1OCCn1cc(C)cn1	585280480	OFBXHRIXSQUCHW-MUUNZHRXSA-N	526.609	2.892	0	40	KFAB	
CCOC(=O)CNC(=O)[C@@H](c1ccc(OCC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)cc1	6601627	WVBCMSJTUXVORO-JOCHJYFZSA-N	539.614	2.599	0	40	KFAB	
CC(C)(C)OC(=O)N1[C@@H]2ON(C(=O)OCc3ccccc3)[C@@H]([C@@H]3OC(C)(C)O[C@H]32)[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N21	8439379	YHPVQRNEIJZYRI-CWIXMHNJSA-N	608.648	2.889	0	40	KFAB	
CCOC(=O)c1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]32)cc1	8756691	XWHAOADMAGLZGJ-QZTJIDSGSA-N	500.309	2.558	0	40	KFAB	
COc1ccc(NC(=O)CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1S(=O)(=O)N(C)C	12694839	IYMXJYLVPCJQTQ-UHFFFAOYSA-N	515.558	2.510	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O	20455680	XVRLIZNKMCTAGG-OAHLLOKOSA-N	516.041	2.926	0	40	KFAB	
COc1ccc(N(CC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)S(=O)(=O)c2ccccc2)cc1OC	113634966	IZGDWCFRNMYLPH-UHFFFAOYSA-N	573.693	2.741	0	40	KFAB	
Cc1cn([C@@H]2C[C@@H](CN(Cc3ccccc3)C(=O)c3ccc(CNC(=O)OC(C)(C)C)cc3)[C@@H](O)[C@@H]2O)c(O)nc1=O	257341248	ZJNHVWQDHDEHFI-BKKFENPESA-N	578.666	2.907	0	40	KFAB	
Cc1cccc(CN(C(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)[C@H](C)C(=O)NCC(C)C)c1	260887616	KBYFMKORYQLYBP-HXUWFJFHSA-N	506.644	2.936	0	40	KFAB	
CCCC[Sn]1(CCCC)O[C@@H]2[C@H](CO)O[C@@H](n3c(Br)c(C(N)=O)c4c(N)ncnc43)[C@@H]2O1	263606296	QSLNHHPPKCRZDT-AEYYVITASA-N	619.105	2.591	0	40	KFAB	
CCOc1ccccc1N(CC(=O)NCCCN1CCOCC1)S(=O)(=O)c1ccc(SC)cc1	408615465	AOGOUUBDNJYUPS-UHFFFAOYSA-N	507.678	2.841	0	40	KFAB	
CCCOc1c(OC)cccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(C(=O)O)cc3)c(=O)n21	409019726	WVKCARNGFRQKLX-KZVLXBEFSA-N	566.632	2.920	0	40	KFAB	
COc1ccc(CCNS(=O)(=O)c2ccc(OCC(=O)N3CCN(c4ccccc4)CC3)cc2)cc1OC	409204516	HRSDSZGKOYYQGL-UHFFFAOYSA-N	539.654	2.952	0	40	KFAB	
CCc1nccn1CCOc1cc(CN2CCN(C(=O)COC)C[C@](O)(COc3cc(F)cc(F)c3)C2)ccc1OC	585274672	LXRGFIIGZIWPBU-PMERELPUSA-N	588.652	2.912	0	40	KFAB	
COC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@@H]1CN(C(=O)c2cccc(F)c2)CCN1C(=O)C1CCCCC1	4277780	JYMKXXJKJNYVTM-UIOOFZCWSA-N	553.631	2.968	0	40	KFAB	biogenic,in-vitro
Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccc(F)cc1	12473148	VAFBBKYGYMPVNF-LAUBAEHRSA-N	511.579	2.955	0	40	KFAB	
Cc1ccc2c(c1)[C@@]1(N[C@@H](Cc3ccc(O)cc3)[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2	15968797	LIAUUERUCMHZKT-PXMCIRSJSA-N	511.534	2.593	0	40	KFAB	biogenic
COc1ccc(CCNC(=O)Cn2c(CN3CCOCC3)nc3sc4c(c3c2=O)CC[C@H](C)C4)cc1	21548946	PCCUCNIBXLPWOO-SFHVURJKSA-N	510.660	2.783	0	40	KFAB	
CC(C)CN(C(=O)CN(C)C(=O)c1cc2c(s1)CC[C@@H](C)C2)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	32971972	TWZLJTWHQSLTDH-MRXNPFEDSA-N	503.669	2.722	0	40	KFAB	
CO[C@H](/C=C/CC/C=C/C(=O)O)[C@@H](O)[C@H](C)[C@@H](O)/C(C)=C/[C@@H](C)C(=O)CCCC1CC(=O)NC(=O)C1	35457110	YQDJUXPUIRGKNV-SJYBHCBASA-N	507.624	2.711	0	40	KFAB	biogenic,in-vitro
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCCC1)[C@@H]1COc2ccccc2O1	40476203	DEDJOYLSHNIWLV-DEOSSOPVSA-N	501.605	2.866	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)ccc3OC)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	59418410	IXCRIIZEEKRFAW-RWTNITNYSA-N	524.595	2.833	0	40	KFAB	
CC[C@@H](C)n1c(SCC(=O)N(CC)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)nc2ccccc2c1=O	72139338	SDQKKKKIVXEZCR-QGZVFWFLSA-N	534.642	2.993	0	40	KFAB	
Cc1cc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@@H]2CCCO2)c2cccs2)ccc1-n1cnnn1	100337502	MYGKYTFHVYGLJL-FNZWTVRRSA-N	557.640	2.847	0	40	KFAB	
COc1ccc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(Cl)c2)c(OC)c1	100961539	QEXOQGDPVSTRRR-UHFFFAOYSA-N	530.006	2.883	0	40	KFAB	
COc1cccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(CCc2ccc(OC)c(OC)c2)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1	150387341	QGTCUPKHOAXFSR-FKAPRUDGSA-N	651.738	2.965	0	40	KFAB	
C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	223818595	LFNMBJMIHFKEMA-MRXNPFEDSA-N	504.008	2.961	0	40	KFAB	
Cc1cc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1NS(=O)(=O)c1ccccc1	224459574	AZKWEFWPDSKFOH-UHFFFAOYSA-N	559.666	2.626	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C	225512327	RXDSEGRKFDQWSR-RUZDIDTESA-N	508.644	2.686	0	40	KFAB	
COc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1S(=O)(=O)N1CCCCCC1	408713677	LFIBYFCCHZEUOU-UHFFFAOYSA-N	515.632	2.947	0	40	KFAB	
N=c1[nH]c(CC(=O)Nc2ccc(CCN(C[C@H](O)c3ccccc3)C(=O)Cc3csc(=N)[nH]3)cc2)cs1	504319571	JASFVOWZGHSXRG-QFIPXVFZSA-N	536.683	2.953	0	40	KFAB	
CC(=O)N1CCN(CC2(O)CCN(c3ccc(F)cc3)CC2)C[C@@](O)(COc2ccc(F)c(C)c2)C1	585281808	BAPRDZULBCLFRR-MHZLTWQESA-N	503.590	2.579	0	40	KFAB	
Cc1ccc(OCCN(C)C(=O)[C@@H]2CCC(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1	643580636	QPDWLKCNVQRFSP-VMPREFPWSA-N	600.716	2.989	0	40	KFAB	
C[C@H](OC(=O)[C@H](C)Oc1ccc(-c2coc3cc(O[C@H](C)C(=O)O[C@H](C)C(=O)O)c(O[C@@H](C)C(=O)O[C@H](C)C(=O)O)cc3c2=O)cc1)C(=O)O	725395252	XUAMFDSEHVKHRD-ZOVJDJALSA-N	702.618	2.811	0	40	KFAB	
COC(=O)[C@@]1(c2ccccc2)N[C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21	12497980	YFEFDAGKSLPAEF-IMBSWCNGSA-N	500.507	2.682	0	40	KFAB	
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@H](Cc1ccccc1)CS(=O)(=O)N1CCN(C)CC1	27084753	YFDSDRDMDDGDFC-HOQQKOLYSA-N	705.988	2.830	0	40	KFAB	in-man
O=C(NCCc1c[nH]c2ccccc12)c1nnsc1NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O	33435746	OJQHBTZVDGDXKY-WBVHZDCISA-N	503.588	2.805	0	40	KFAB	
Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)cc1S(=O)(=O)N(C)C	72122045	SRAYLEKFNMBIIU-UHFFFAOYSA-N	550.703	2.509	0	40	KFAB	
Cc1cc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccccc2)ccc1-n1cnnn1	100334939	RITSVPRLOJZBMM-QDPGVEIFSA-N	551.611	2.785	0	40	KFAB	
COc1ccc(N2C(=O)NC(=O)[C@@](Cc3ccc(O)c(OC)c3)(CN3C[C@H]4C[C@H](C3)c3cccc(=O)n3C4)C2=O)cc1	100746612	KFYSGPSROCVUBA-PAZSBGSYSA-N	572.618	2.502	0	40	KFAB	
CCOC(=O)C1=C(COC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)NC(=O)N[C@H]1c1ccco1	102220493	VOTDBULXMOEPQO-PXNSSMCTSA-N	537.978	2.501	0	40	KFAB	
COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1	103020182	HBMCFMYTPQGGSP-UHFFFAOYSA-N	558.682	2.709	0	40	KFAB	
O=C(COC(=O)c1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1Cl)NC(=O)NCc1ccco1	103089685	PVTTZIMJXYATLL-UHFFFAOYSA-N	561.016	2.627	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCCNS(=O)(=O)c3ccc(C)cc3)CC2)cc1Cl	222600657	NFBCZHRPHOHQHY-UHFFFAOYSA-N	544.095	2.543	0	40	KFAB	
COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NCc2ccc3c(c2)OCO3)cc1	223256596	JPTQCDUNIYIGDI-VWLOTQADSA-N	567.664	2.572	0	40	KFAB	
CC(C)Oc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)cc1	224394810	MXNSAQIOCPXNHM-UHFFFAOYSA-N	553.703	2.610	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O	225452523	PISADXOTIGYEQI-AWEZNQCLSA-N	500.390	2.518	0	40	KFAB	
CNS(=O)(=O)c1ccc(C)c(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	226011184	CRKKLYSZPBWDHJ-UHFFFAOYSA-N	547.655	2.750	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1	409155382	QWLDYRUMUZMGOC-JYXZFHPPSA-N	656.555	2.807	0	40	KFAB	
COc1cc(CNC(=O)[C@@H]2CCC(=O)NCCCCCOc3ccc(Cl)cc3C(=O)N2)cc2c1OCO2	643570463	BBKUEJAKYSWWEG-IBGZPJMESA-N	531.993	2.951	0	40	KFAB	
COc1ccc(C)c(NC(=O)CN2CCC[C@@]3(CC=CCOc4ccccc4C(=O)NCCNC3=O)C2)c1	2037879845	TWSQLGKWCFIBRB-LJAQVGFWSA-N	520.630	2.909	0	40	KFAB	
COC(=O)C(=O)[C@@H](C(=O)C(=O)Nc1cc(C)ccc1C)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]c1=O	1627904	VOZMUEZVJVTRCA-JOCHJYFZSA-N	525.517	2.804	0	40	KFAB	
CCOCCCN(C(=O)Cn1nnc(-c2ccc(C)o2)n1)[C@H](C(=O)NC[C@@H]1CCCO1)c1cccs1	6600096	RONXWPVSFDQTAT-AVRDEDQJSA-N	516.624	2.595	0	40	KFAB	
COCCN(C(=O)COC(=O)CSc1ccc2ccccc2c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	38140426	NJJKDGJPCAEHED-UHFFFAOYSA-N	548.621	2.635	0	40	KFAB	
COC(=O)c1cc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(OC)c(OC)c2)cc(C(=O)OC)c1	59833950	MYRXHERCJOEQQP-QFIPXVFZSA-N	556.593	2.805	0	40	KFAB	
COC(=O)CSc1nnc(NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)s1	223892310	VNUZWWSYAWRVMZ-UHFFFAOYSA-N	508.603	2.646	0	40	KFAB	
CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	224241125	WFTOAWLDDZMKPJ-NRFANRHFSA-N	505.637	2.722	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1	224425766	PDUKYXDCWFPLGZ-FQEVSTJZSA-N	553.678	2.596	0	40	KFAB	
C/C=C(\C)C[C@H](/C=C(\C)[C@H](O)[C@H](C)/C=C(\C)[C@H](O)[C@H](C)/C=C/[C@H](O)C/C=C/[C@@H](O)[C@H](O)C(=O)O)C(=O)O	248297896	YKAQENKKQWMYFZ-PUXMLXMHSA-N	524.651	2.600	0	40	KFAB	biogenic,in-vitro
NS(=O)(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2Cl)cc1	408619731	ITBIZJXDVGDZLS-UHFFFAOYSA-N	536.031	2.752	0	40	KFAB	
CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OC)n2c(s/c(=C3\C(=O)N(C)c4ccccc43)c2=O)=N1	409114571	HNVYOJBRPRELRF-HHUUSFLGSA-N	517.607	2.934	0	40	KFAB	
COc1cccc([C@@H]2[C@@H](C(C)C)CN(C(C)=O)C[C@H](OC)[C@@H](O)[C@@H](O)COCCCCN2C(=O)CN(C)Cc2cc(C)on2)c1	643550818	ZCQCBPCXJLUYRM-QAXKFHDJSA-N	632.799	2.661	0	40	KFAB	
COc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F	3346867	YGVMFOPFZUBIIN-UHFFFAOYSA-N	500.932	2.613	0	40	KFAB	
CCOC(=O)CN(C(=O)Cn1nnc(-c2ccc(OC)cc2)n1)[C@H](C(=O)NC(C)(C)C)c1ccc(F)cc1	6546199	ODYQKULJDWZGKF-QHCPKHFHSA-N	526.569	2.536	0	40	KFAB	
O=C(CSc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)s1)c1ccccc1	15441332	SYVNRRCWQLLOOY-UHFFFAOYSA-N	504.615	2.786	0	40	KFAB	
Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N(C)C)cc3)cc2)cc1	20032522	ZXFMQBPPUBKHKT-UHFFFAOYSA-N	517.629	2.741	0	40	KFAB	
Cc1ccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2c1C	22872721	HQNGPAHKWGDDQO-FIPFOOKPSA-N	557.655	2.946	0	40	KFAB	
COc1ccc(CCN2C[C@H](C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2=O)cc1OC	32998244	SQLINDOEENHBFK-LJQANCHMSA-N	501.605	2.518	0	40	KFAB	
COc1ccc(N(CCCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)S(C)(=O)=O)cc1Cl	100078074	VTPPLCGKJKLWKC-UHFFFAOYSA-N	544.095	2.736	0	40	KFAB	
COc1ccc(NC(=O)[C@@H]2NN(c3nc4ccccc4s3)C(=O)c3c2cc(=O)n(N2CCOCC2)c3C)c(OC)c1	100431131	ZDBMYWGPLYKNPP-RUZDIDTESA-N	576.635	2.597	0	40	KFAB	
CCCCNS(=O)(=O)c1ccc2nc(SCC(=O)Nc3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)[nH]c2c1	103126797	HLQSGWXAQDRDNR-UHFFFAOYSA-N	581.742	2.701	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)cc1	224232383	SFWVXCMBUUEDJV-GOSISDBHSA-N	578.540	2.981	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O	225452704	TWBFBPOTNIZPFA-INIZCTEOSA-N	526.453	2.695	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1	226078073	KNXRQWXUSKJAMY-MRXNPFEDSA-N	500.042	2.938	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	260915948	GDCKBAIAJAGXJN-UXHICEINSA-N	547.674	2.955	0	40	KFAB	
O=C(C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1CN(Cc1ccccn1)CC2=O)N1CCOCC1	514287452	CVHJKAKIGUMHLF-VJQMVFROSA-N	504.631	2.746	0	40	KFAB	
CC(C)C[C@@H]1COc2ccc(Cl)cc2C(=O)NCCCCN(C(=O)CCc2cnn(C)c2)CC(=O)N1	643556969	SRUIPIJFJNDWAO-OAQYLSRUSA-N	518.058	2.968	0	40	KFAB	
CCCCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N[C@@H](CC(C)C)C1=O	1615160621	QGMWXZJUQAWDKH-GOTSBHOMSA-N	514.667	2.740	0	40	KFAB	
CC(=O)N[C@H](CC(C)C)C(=O)N1CC[C@H]2NC(=O)[C@H](Cc3ccccc3)NC(=O)C3(CC=CC[C@H]2C1)CCOCC3	2037829065	QQTULVKBYXGERN-ZVBOOHQUSA-N	566.743	2.745	0	40	KFAB	
O=C(N[C@@H](NC(=S)N1CCOCC1)C(Br)(Br)Br)c1ccccc1	3212753	LWDXEOWIGYTQIJ-LBPRGKRZSA-N	530.080	2.788	0	40	KFAB	
CCOC(=O)CNC(=O)[C@@H](c1ccc2ncccc2c1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(C)c1	6089345	WMNLMRUBFKKNSK-HSZRJFAPSA-N	546.609	2.748	0	40	KFAB	
CCOC(=O)CN(C(=O)Cn1nnc(-c2ccc(C)cc2)n1)[C@@H](C(=O)NCCC(C)C)c1ccc(O)cc1	6546317	ONRPGJXPSKDETE-RUZDIDTESA-N	522.606	2.649	0	40	KFAB	
Cc1cccc(N(CC(=O)NC2CCCC2)C(=O)C[S@](=O)CC(=O)Nc2ccc3c(c2)OCO3)c1C	8677240	LUCONPOCZAYUQQ-BHVANESWSA-N	513.616	2.811	0	40	KFAB	
COCCn1nnnc1[C@H](C(C)C)N(CCCN1CCOCC1)Cc1cc2c(C)cc(C)cc2[nH]c1=O	13499113	QSDAGEVSDRFICS-VWLOTQADSA-N	511.671	2.699	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3/C(=O)N(CC)c4ccccc43)c(=O)n2[C@@H]1c1cccc(OC)c1	15228748	IQTSCINFOCNNNH-HOGKFDNTSA-N	503.580	2.544	0	40	KFAB	
C[C@@H](C(=O)NC(C)(C)C)N(C(=O)C[S@@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1F	19941169	JSTODYCWGVBITQ-KEKDSOFASA-N	505.568	2.578	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O	44901461	HRCZWWSEZBPUDO-GOSISDBHSA-N	509.650	2.890	0	40	KFAB	
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)CC1	70687250	QSTWRPNLNLYGIH-ZEQRLZLVSA-N	539.629	2.879	0	40	KFAB	biogenic
CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc(Cl)cc3)c(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	100072497	JWTWVAVUQMMSIC-UZINISAASA-N	592.981	2.933	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@H](C(=O)NC[C@H]3CCCO3)c3ccc(C)o3)n2)cc1OC	100277692	BIHDQZRBDFXRFY-IBVKSMDESA-N	564.599	2.917	0	40	KFAB	
COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)NCCCN3CCOCC3)c(=O)cc1[C@@H](NC(C)=O)CC2	108450390	KNXPTOVGMVAPBH-VWLOTQADSA-N	596.725	2.894	0	40	KFAB	biogenic
CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	222531478	WRFGGXFAKMMOQT-WMZHIEFXSA-N	547.674	2.955	0	40	KFAB	
C[C@H](C(=O)NCCCO)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1	222811609	VOKMCUZMANVUIP-GOSISDBHSA-N	522.067	2.629	0	40	KFAB	
CC(C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	224692988	ZQQSYIOHQYWORT-KRWDZBQOSA-N	568.490	2.928	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O	224998072	DGQBLJPNPCLMNF-LJQANCHMSA-N	533.647	2.914	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	225373073	IRVQORWFKSSMNY-RTBURBONSA-N	522.643	2.779	0	40	KFAB	
COc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1OC	225483747	YTASFUNEJSYFNJ-IBGZPJMESA-N	505.637	2.720	0	40	KFAB	
CCN(CC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C)S(=O)(=O)c1ccc(OC)c(Cl)c1	226071550	NKSXEEPPVPJLLO-UHFFFAOYSA-N	504.030	2.557	0	40	KFAB	
COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)NCCSc3nc(-c4ccccc4)n[nH]3)CC2)c1	226078417	IZFLBMCFOLQJCF-UHFFFAOYSA-N	531.660	2.798	0	40	KFAB	
CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CC[C@H]2O[C@H]3c4cc(Cl)ccc4OC(C)(C)[C@@H]3C[C@H]2C1	257272783	NDVUKFPBUATALA-RZDNYABWSA-N	506.047	2.574	0	40	KFAB	
CS(=O)(=O)N(CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1cccc(Cl)c1Cl	409027615	NSMIRJLZPMXFCW-UHFFFAOYSA-N	500.404	2.833	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409037140	SNHAQIYOTFPCTR-KWXRMHBDSA-N	654.694	2.691	0	40	KFAB	
CCCCCn1c(S[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2NC(C)=O)nnc1-c1ccccc1	504796638	JESOEUQUEIIHTN-XRKIENNPSA-N	576.672	2.884	0	40	KFAB	biogenic
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(=O)[C@H](C)[C@H]2OC(=O)O[C@@]12C	585672022	NKLGIWNNVDPGCA-RVROUBJDSA-N	759.931	2.968	0	40	KFAB	biogenic
Cc1c(CCC(=O)N2CCCCNC(=O)c3cc(Cl)ccc3OC[C@H](C(C)C)NC(=O)C2)cnn1C	643556277	HPUBZOHPLLAWNS-JOCHJYFZSA-N	518.058	2.887	0	40	KFAB	
CC(C)CN1CCCN(C(=O)Cc2ccccc2)c2ccccc2CN(C(=O)CNS(C)(=O)=O)CC1	643566223	DVBHWYYJTHHSLV-UHFFFAOYSA-N	514.692	2.502	0	40	KFAB	
Cc1c(CCC(=O)N2CCC3(CC=CC[C@H]4COCC[C@H]4NC(=O)[C@H](CC(C)C)NC3=O)CC2)cnn1C	2037880046	QMZCLJAFIUXBCW-GVAUOCQISA-N	527.710	2.672	0	40	KFAB	
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@H](N)CCCCNC(=O)OCc1ccccc1	4016999	RMRQGSRUGRBWCV-YYLNTOIZSA-N	659.784	2.543	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@@H](C(=O)NC3CCCCC3)c3ccc(F)cc3)n2)cc1	7060501	OOWCYGAZYBGDFF-MUUNZHRXSA-N	579.677	2.839	0	40	KFAB	
Cc1ccc(C)c(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(O)cc2)c1	12474002	IDOWGFVJUFVHLU-XMSQKQJNSA-N	523.615	2.830	0	40	KFAB	
CCOC(=O)/C=c1\s/c(=C\c2cccc(OCc3ccccc3)c2)c(=O)n1CC(=O)N1CCC(C)CC1	13134555	BBSHIPZWUKZXPD-IBTAJCQPSA-N	520.651	2.920	0	40	KFAB	
Cc1cccc2c1NC(=O)[C@@]21N[C@@H](Cc2ccc(O)cc2)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21	15969363	UBEYPJWMLZAJLZ-ZUWWUPDZSA-N	511.534	2.593	0	40	KFAB	biogenic
COc1ccccc1N1CCN([C@H](c2cc3ccc(C)cc3[nH]c2=O)c2nnnn2C[C@H]2CCCO2)CC1	19940600	AWCTZHRCAKAFSY-QFQXNSOFSA-N	515.618	2.922	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C2CCCCC2)cc1	59838102	OHJGQZCSEOSZAQ-UHFFFAOYSA-N	579.741	2.746	0	40	KFAB	
Cc1cccc(NC(=O)Cn2nc3n(CC(C)C)c(=O)c4ccc(C(=O)NCC(C)C)cc4n3c2=O)c1	64581235	HZXHJCCEXLMLHE-UHFFFAOYSA-N	504.591	2.800	0	40	KFAB	
Cc1ccnc(N(C(=O)CCCN2C(=O)c3ccccc3C2=O)C(=O)CCCN2C(=O)c3ccccc3C2=O)n1	102929943	MZYOTTSKETWYJJ-UHFFFAOYSA-N	539.548	2.797	0	40	KFAB	
COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)C2=O)cc1OC	102931194	ZJKQQZCECHOIRD-DEDYPNTBSA-N	555.594	2.970	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(=O)c(-c4cscn4)c(C)oc3c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	170623041	QLPBVUOEXHYSIY-SGFIESEYSA-N	589.575	2.687	0	40	KFAB	
CO[C@H]1[C@@H](O)C[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]1C	254011770	IYJMSDVSVHDVGT-PEQKVOOWSA-N	794.976	2.872	0	40	KFAB	in-man
COc1cccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2cccc(OC)c2)C(=O)NCc2ccccc2)c1	409370244	NLGXTADDMTXHAH-GOTSBHOMSA-N	507.495	2.856	0	40	KFAB	
CC(=O)N1CCC[C@H](c2cncc(CCC(=O)N3CCN(C)CCCN(C(C)=O)c4ccccc4C3)n2)C1	643554269	NZLCNUCSJBXAEW-DEOSSOPVSA-N	520.678	2.852	0	40	KFAB	
Cc1nn(CCNC(=O)[C@@H]2CC(=O)NC3(CCCCC3)C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCCOc3ccccc3C(=O)N2)c(C)c1C	643576535	PQMCMRRBYWCQEA-CONSDPRKSA-N	699.853	2.559	0	40	KFAB	
CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)NCCOc2ccccc2)NC(=O)c2ccccc2OCCCCCCNC1=O	1615153993	DQBIJMRIYFCNST-UIOOFZCWSA-N	566.699	2.970	0	40	KFAB	
C[C@]12CCC(SCC(=O)O)(SCC(=O)O)C[C@H]1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO	4705938	XCBVGXHHEMDZIG-SSYASERTSA-N	528.689	2.833	0	40	KFAB	
CC[C@@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@@H](CC(C)C)C(=O)O	70704748	LDVRDOBJIVCDOS-LDLZHSJESA-N	536.629	2.620	0	40	KFAB	biogenic
CCOC(=O)c1ccc2c(c1)s/c(=N\C(=O)c1ccc(S(=O)(=O)N3CCCCC3)cc1)n2CC(=O)OC	100876146	ZLGNTUTYHOMOMR-QPLCGJKRSA-N	545.639	2.968	0	40	KFAB	
C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCN(S(=O)(=O)c4ccc(OC(F)(F)F)cc4)CC3)c2)C[C@@H](C)O1	103037995	WFLNYQRBIDFUQF-HDICACEKSA-N	591.630	2.530	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O	222555473	QJFLKNQGYQEKAQ-CQSZACIVSA-N	502.420	2.931	0	40	KFAB	
Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)s2)cc1	225060848	ASKQGMGAHYRKQW-INIZCTEOSA-N	501.590	2.808	0	40	KFAB	
COCC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4ccc(C(F)(F)F)cc4)C[C@H]3C(=O)NC[C@H]1O2	253401421	MWJXMQHVGCNSFC-CFJXPYFLSA-N	618.653	2.610	0	40	KFAB	
CN1CCN(C(=O)C[C@@]2(COc3ccccc3)CCCN(S(=O)(=O)c3c(F)cccc3F)C2)CC1	257342638	ZPNDBFWUNBWKAD-VWLOTQADSA-N	507.603	2.979	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	260996928	QZDIDTZUEDKXCA-RTWAWAEBSA-N	531.675	2.988	0	40	KFAB	
COC(=O)c1cc(OC)c(OC)cc1NC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1Cl	408587621	BRGAWDOMXIQVEL-UHFFFAOYSA-N	500.957	2.848	0	40	KFAB	
COc1ccc(OC)c(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(Cl)c(Cl)c3)C2)c1	408651717	DNPRSVJJLMBODW-CYBMUJFWSA-N	510.330	2.686	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(CC(=O)N4CCOCC4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	409160134	PQZNLEHQVFXTLD-CWPZDHDOSA-N	630.723	2.629	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OCCCn3ccnc3)c(OC)c2)C[C@](O)(COc2ccc(C)cc2)C1	585275196	ZQIHPBSPRGWYLK-SSEXGKCCSA-N	552.672	2.770	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OC)c(OCCCn3cccn3)c2)C[C@](O)(COc2ccc(F)c(F)c2)C1	585281267	XYXDXYPRTQLGSC-GDLZYMKVSA-N	574.625	2.740	0	40	KFAB	
Cc1csc(CCCNC(=O)[C@@H]2CC(=O)N[C@H](C(C)C)C(=O)N[C@H](CC(C)C)COc3ccccc3C(=O)N2)n1	643566403	XVUIHGHJIWTTHV-LIXHSBQKSA-N	571.744	2.753	0	40	KFAB	
CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCc2ccc(F)cc2)CCC(=O)N[C@@H](Cc2ccccc2)C1=O	643569051	JXLLKMQPBVYPAN-SVBPBHIXSA-N	574.653	2.642	0	40	KFAB	
Cc1cc(NC(=O)CSC2=Nc3ccccc3C3=N[C@@H](CC(=O)NCc4cccs4)C(=O)N23)n[nH]1	2967730	IDXHCOBVSJTKTQ-KRWDZBQOSA-N	507.601	2.817	0	40	KFAB	
CC(C)(C)NC(=O)[C@H](c1ccc(O)cc1)N(C[C@@H]1CCCO1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1	6074972	WGFLXRCZQQGXMX-GMAHTHKFSA-N	510.570	2.848	0	40	KFAB	
COc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)o2)c(OC)c1	9412816	YTDWMLBHSXUVAI-GJZGRUSLSA-N	502.549	2.804	0	40	KFAB	
O=C(Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)c1cccc(S(=O)(=O)N2CCOCC2)c1	13138877	JRYOHKWQDOZKBT-UHFFFAOYSA-N	509.540	2.941	0	40	KFAB	
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@@H](C)C(=O)NCc2ccc(F)cc2)CC1	16032440	VLJLJGASSMFFLW-UWJYYQICSA-N	538.686	2.832	0	40	KFAB	biogenic
CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)C1=O	17527553	VDHJTMVBLWKHNP-DEOSSOPVSA-N	535.022	2.547	0	40	KFAB	
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(Cl)cc3)CC2)N[C@H]1c1ccc(OC)c(OC)c1	19817810	KOLXNHPLDLPEQV-YADHBBJMSA-N	500.983	2.886	0	40	KFAB	
COc1ccccc1N1CCN([C@H](c2cc3cc(C)ccc3[nH]c2=O)c2nnnn2C[C@H]2CCCO2)CC1	19826190	GZFPAJJTFZJULL-QFQXNSOFSA-N	515.618	2.922	0	40	KFAB	
CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)COc2ccc(F)cc2Cl)CC1	38140767	YSXIVJQZZJLGBE-UHFFFAOYSA-N	541.045	2.659	0	40	KFAB	
COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O	59852599	AYIWOBIBORHKBU-UHFFFAOYSA-N	534.454	2.549	0	40	KFAB	
CCCNC(=O)[C@H](CC(C)C)NC(=O)C1CCN(C(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)CC)CC1	70687618	RDDCJYNXXOZXFG-ZODMCCGTSA-N	550.766	2.984	0	40	KFAB	biogenic
COc1ccc(-c2nnn(CC(=O)N(C[C@H]3CCCO3)[C@@H](C(=O)NC[C@@H]3CCCO3)c3ccc(F)cc3)n2)cc1OC	100277320	HBHXJMCWVQQFKN-QHWMMSMNSA-N	582.633	2.541	0	40	KFAB	
COC(=O)[C@@]1(CCSC)N[C@@H](c2ccc(OC)cc2OC)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21	100422243	MVRMFYUVGCIKMK-GGLGADRISA-N	542.610	2.590	0	40	KFAB	
COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@H](C)N(c1cc(Cl)ccc1OC)S(C)(=O)=O	216306283	YEGHREUSRRYLAO-AWEZNQCLSA-N	534.056	2.837	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	222526191	IFGJNKHXCFRKJH-VWLOTQADSA-N	544.624	2.964	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	224449722	CFUFKRRMZGFARS-UHFFFAOYSA-N	573.693	2.650	0	40	KFAB	
CCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C	224581619	VAUUPMPEZACFAZ-QHCPKHFHSA-N	518.680	2.868	0	40	KFAB	
Cc1ccc(CN(CC(=O)NCCSc2ncn[nH]2)S(=O)(=O)c2ccc(Br)cc2)cc1	226033787	BBWHGYQIZIVQGN-UHFFFAOYSA-N	524.466	2.975	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	260947799	JMIYVPSVEPUIPZ-ROUUACIJSA-N	510.607	2.910	0	40	KFAB	
Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)Nc1ccc(I)cc1	408625334	SBKZIDQAUINFRG-UHFFFAOYSA-N	516.357	2.638	0	40	KFAB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4ccc(OC)c(O)c4)c(=O)n32)cc1OCC	408954471	WZMTUQVGNZRYKB-PKGQOAHCSA-N	510.568	2.530	0	40	KFAB	
COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCO[C@@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CCCCC2)C1	585287495	YDHLLYGYQDOGNE-MHZLTWQESA-N	580.103	2.997	0	40	KFAB	
COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCCC(C)C)c2ccncc2)c(OC)c1	6076971	ACRDZTAJXVFIPQ-NRFANRHFSA-N	526.619	2.787	0	40	KFAB	
CN(C(=O)CSc1nnc([C@@H]2COc3ccccc3O2)n1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1	13525203	PCMUHJRIVZKGJX-XLIONFOSSA-N	500.602	2.517	0	40	KFAB	
COc1ccc(CNC(=O)Cn2c(=O)n(CCCCC(=O)NCc3ccco3)c(=O)c3ccccc32)cc1	45896531	HQBWFVGNLCTBMN-UHFFFAOYSA-N	518.570	2.568	0	40	KFAB	
CCNC(=O)c1ccc(N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c(NC(=O)COc2ccc3c(c2)OCO3)c1	97971989	OOGXZCFANZSQOS-QUCCMNQESA-N	530.581	2.968	0	40	KFAB	biogenic
O=C1CNC(=O)N1C[C@H](O)Cn1c2ccc(I)cc2c2cc(I)ccc21	97986468	OUIIMHPNGOQOAJ-GFCCVEGCSA-N	575.144	2.916	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1	100081590	RUVLIGAECWOOCH-UHFFFAOYSA-N	535.688	2.715	0	40	KFAB	
C[C@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N(CC(=O)Nc3ccccc3)C[C@@H]3CCCO3)cc2)C1	100380801	ZULIGYPHCSKUQL-UNMCSNQZSA-N	535.688	2.916	0	40	KFAB	
CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)OCC(=O)Nc2nc(-c3ccccc3)cs2)c1	102921953	MWXGFYUKGNDYBM-UHFFFAOYSA-N	530.628	2.752	0	40	KFAB	
CC(=O)OC[C@H]1O[C@H](Oc2ccc(C(=O)Cc3ccc(Cl)cc3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	135907178	JWTWVAVUQMMSIC-MASCHLQQSA-N	592.981	2.933	0	40	KFAB	
CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	223756980	OIFXPXRLFFGCQK-DEOSSOPVSA-N	535.622	2.616	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O	223983310	VTDXWRGKFQXTMN-INIZCTEOSA-N	526.453	2.777	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O	224022533	ZDLTWDYZVBHDTO-INIZCTEOSA-N	526.453	2.777	0	40	KFAB	
Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NCCOc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)c1	224319383	GQTFIDXYNIFKCI-UHFFFAOYSA-N	549.715	2.517	0	40	KFAB	
C[C@@H]1CC[C@]2(C(=O)O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@H]2[C@]1(C)O	253529481	AWFZJSUJFSUBQU-CYCMIWHGSA-N	664.833	2.528	0	40	KFAB	biogenic,in-vitro
CCOC(=O)C1=C(C)N=c2s/c(=C/[C@@H]3C(=O)N(c4ccccc4)N=C3C)c(=O)n2[C@H]1c1ccc(F)cc1	409022060	IOKUHSJUOSUAIE-ACXWWXGRSA-N	518.570	2.928	0	40	KFAB	
COC(=O)c1cc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(Cl)c(C(=O)OC)c3)CC2)ccc1Cl	1097716	NAJUUFXHASHPTG-UHFFFAOYSA-N	565.453	2.652	0	40	KFAB	
CC(C)(C)NC(=O)[C@H]1CN(Cc2cccnc2)CCN1C[C@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O	22446660	CBVCZFGXHXORBI-MTDKZJJISA-N	613.803	2.867	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(S(=O)(=O)N(C)C)cc3)C2)cc1Cl	59838833	FROHDRSTJURUPD-SFHVURJKSA-N	544.095	2.706	0	40	KFAB	
Cc1ccc(NC(=O)[C@H](C)OC(=O)COc2cccc(C(F)(F)F)c2)cc1S(=O)(=O)N1CCOCC1	72139438	MMUACQFYPOPSBV-INIZCTEOSA-N	530.521	2.984	0	40	KFAB	
Cc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@H](C(=O)NC(C)(C)C)c3ccc(F)cc3)n2)o1	100275889	HVZWOEZEHAHMAM-DEOSSOPVSA-N	541.628	2.588	0	40	KFAB	
CCCCN(C)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(NC(C)=O)ccc3n2CC(=O)OC)cc1	100876931	LVAFICFFMTZMNF-LCUIJRPUSA-N	532.644	2.996	0	40	KFAB	
CCOC(=O)C1=C(C)C2[C@@H]3C(=O)N(c4ccc(C(=O)OC)cc4)C(=O)[C@@H]3C1(C)[C@H]1C(=O)N(c3ccc(C(=O)OC)cc3)C(=O)[C@H]21	103552321	DIKARTHLYAVYHG-BHLJQSCKSA-N	614.607	2.701	0	40	KFAB	
COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)ccc1OCC(=O)Nc1ccccc1C	106709581	JNVZRGCXQQZXCJ-HMAPJEAMSA-N	525.583	2.916	0	40	KFAB	
CC(C)CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222703816	FNXILTGPUVVTFB-JOCHJYFZSA-N	531.675	2.666	0	40	KFAB	
CNS(=O)(=O)c1ccc(C)c(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c1	222717242	WPMCWMBJIHXNHZ-UHFFFAOYSA-N	507.565	2.861	0	40	KFAB	
COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H](C)C(=O)NCc2ccccc2)cc1	222932723	UKAYZLJJYLRELG-HSZRJFAPSA-N	581.691	2.829	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCCOc3ccc(S(=O)(=O)N(C)C)cc3)Oc3ccc(C)cc32)cc1	224246352	CEZOGLGQGGNEIS-SANMLTNESA-N	573.693	2.705	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)C)c1	225656239	IVFRBFUQMSKFKH-IBGZPJMESA-N	505.637	2.720	0	40	KFAB	
CS(=O)(=O)N[C@@H](CC(=O)N1C[C@H](C(=O)NCc2ccccc2)Oc2ccccc21)c1ccc(F)cc1	225943622	JEJPQPICXBVDLU-XUZZJYLKSA-N	511.575	2.917	0	40	KFAB	
Cc1ccc(S(=O)(=O)NCCNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1	225998661	BJHSLRWQRZZZLA-UHFFFAOYSA-N	515.657	2.589	0	40	KFAB	
CCOc1cc([C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)N(CCCC(=O)O)C(=O)[C@@H]54)[C@@H]23)ccc1O	245228038	ZFUKKOJNNQZJMT-KLPQEXCTSA-N	530.624	2.879	0	40	KFAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccccc3O)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	409108382	XDEVCVIRCSLPIX-MGSPXPDISA-N	507.612	2.826	0	40	KFAB	
CC(C)Cn1c(SCN2C(=O)c3ccccc3C2=O)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1	3362098	UGIUCCPMHOYPMO-UHFFFAOYSA-N	541.655	2.968	0	40	KFAB	
CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2cn(CC)c3nc(C)ccc3c2=O)c1	12600976	RGDMHKGDRGWUCO-UHFFFAOYSA-N	500.577	2.551	0	40	KFAB	
COC(=O)c1cc(NC(=O)CN2C(=O)N[C@](C)(c3ccc4cc(OC)ccc4c3)C2=O)cc(C(=O)OC)c1	12645035	WPEVWEUEXGCDLF-HHHXNRCGSA-N	519.510	2.827	0	40	KFAB	
O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1NS(=O)(=O)c1ccccc1	14153950	UBIPIKMRFWDVEQ-UHFFFAOYSA-N	501.586	2.761	0	40	KFAB	
CCCCn1c(N)c(N(CC(C)C)C(=O)CSc2nnc(C)n2-c2ccc(OC)cc2)c(=O)[nH]c1=O	23080175	IANREIXASPPEPU-UHFFFAOYSA-N	515.640	2.598	0	40	KFAB	
C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c1	103102196	QSTBOJFLLWWQDM-GOSISDBHSA-N	557.650	2.872	0	40	KFAB	
COc1ccc(CNC(=O)[C@@H](Cc2ccccc2)N(Cc2ccccc2)C(=O)CN(C)S(C)(=O)=O)cc1	223042684	HOBPQGMAKNJGTK-AREMUKBSSA-N	523.655	2.843	0	40	KFAB	
C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223740663	TUUXLIYYUNUTAU-LJQANCHMSA-N	515.632	2.700	0	40	KFAB	
COc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(N4C(=O)CCC4=O)cc3)cc2)cc1	225081126	GFRNXXJUKMXFCU-UHFFFAOYSA-N	515.569	2.950	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC)c1ccc2c(c1)OCO2	225514410	ZEITVXLZWHQXGQ-DEOSSOPVSA-N	537.638	2.958	0	40	KFAB	
COC(=O)[C@]1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)C[C@H](O)[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@@H]6O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1	247853255	SFZVDNKTWPZIJG-GWSUXVBBSA-N	664.833	2.793	0	40	KFAB	endogenous,in-man
CCn1c(CCC(=O)N2CCC3(CC2)COC[C@@](C)(O)[C@H](n2cnc4c(N)ncnc42)C3)nc2ccccc21	257307508	SYYCYUKYZRFBQJ-JIPXPUAJSA-N	532.649	2.732	0	40	KFAB	
C[C@@H]1O[C@H](O[C@@H]2CC[C@@]3(C)[C@H](CC[C@]4(C)[C@@H]3C=C[C@]35OC[C@@]6(CCC(C)(C)C[C@H]63)[C@H](O)C[C@@]54C)C2(C)C)[C@H](O)[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O	257466564	KQGDHYQRJRGMDG-IQWRAVKVSA-N	764.994	2.805	0	40	KFAB	biogenic,in-vitro
CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	261035766	XXCYJZAZUTZHGN-GCJKJVERSA-N	533.647	2.912	0	40	KFAB	
CCOc1c(OC)cccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(OC)cc3OC)c(=O)n21	409015250	OKBBUBWCYVXMIO-XSZPGNIMSA-N	568.648	2.849	0	40	KFAB	
CCOC(=O)N1CCN(C(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)CC1	409027824	HSLJFYRSZHYVRI-UHFFFAOYSA-N	535.619	2.599	0	40	KFAB	
Cc1cc(OC[C@@]2(CC(=O)N3CCC(O)CC3)CCCN(C(=O)CN3CCOCC3)C2)cc(C)c1Cl	585286051	HBTBITOQVCQEFD-HHHXNRCGSA-N	522.086	2.650	0	40	KFAB	
CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)NC(=O)c2ccccc2OC[C@@H](C)NC1=O	643573534	QIMADZGFZZDXNU-NYMACZPPSA-N	596.700	2.607	0	40	KFAB	
COc1cccc(-c2ccc3c(c2)O[C@H]2CN(CC4CCCCC4)C[C@H]2N(C)C[C@@H](O)CNS3(=O)=O)c1	1534613683	WIDCHRSPAHYXJU-RELGLDOUSA-N	529.703	2.959	0	40	KFAB	
O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C[C@H]1CCCO1)N1CCc2ccccc2C1)OCCO3	913269	ZGQKBYCRRUPGEL-CJFMBICVSA-N	500.559	2.613	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccc(Br)cc43)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	2799495	UHZFNGHPZKCYQM-AGGMBTAESA-N	584.448	2.900	0	40	KFAB	
C[C@@H](C(=O)NC1CCCC1)N(C(=O)C[S@](=O)CC(=O)Nc1ccc(F)cc1)c1ccc2c(c1)OCCO2	8666915	AVAFVJUTTCCPCU-ZUDGJFPWSA-N	531.606	2.765	0	40	KFAB	
C[C@H](C(=O)NC1CCCCC1)N(C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1	12710340	DJGRSENAYVJNIN-QCNWMPOZSA-N	513.616	2.973	0	40	KFAB	
CN(C(=O)COC(=O)/C=C/c1ccc(Cl)c(Cl)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	23079916	HKCZDSHBGUXNBU-CSKARUKUSA-N	503.342	2.693	0	40	KFAB	
CCCCC[C@H](NC(=O)C1CCN(C(=O)[C@H](CCSC)NS(=O)(=O)c2ccc(C)cc2)CC1)C(=O)O	70687760	CNYXXXHERLUVFC-VXKWHMMOSA-N	541.736	2.783	0	40	KFAB	biogenic
O=C1CNC(=O)N1C[C@@H](O)Cn1c2ccc(I)cc2c2cc(I)ccc21	97986467	OUIIMHPNGOQOAJ-LBPRGKRZSA-N	575.144	2.916	0	40	KFAB	
Cc1cc(=O)c(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)nn1-c1ccccc1Cl	102905633	KFGSMMYBTQPRFI-UHFFFAOYSA-N	526.924	2.758	0	40	KFAB	
CCOC(=O)C1=C(N)n2c(s/c(=C\c3ccccc3OC)c2=O)=C(S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1OC	108985089	JMIXPQMCXKVJOI-IURUZKCNSA-N	604.706	2.826	0	40	KFAB	
CNS(=O)(=O)c1ccc(C)c(NC(=O)COc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2C)c1	222781224	VVAMMYYABUDVLL-UHFFFAOYSA-N	529.640	2.980	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	222980376	YKCOGGSHBZPLMM-HXUWFJFHSA-N	517.648	2.948	0	40	KFAB	
CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O	223390763	RUIKJXIDBLBNHV-FQEVSTJZSA-N	512.028	2.677	0	40	KFAB	
C[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	224446905	HEFRYHVMSANMAL-QFIPXVFZSA-N	603.719	2.850	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C	225488300	KIVJRHPTUXXKGZ-SFHVURJKSA-N	539.496	2.842	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)N1CCN(c2cccc(C)c2C)CC1	225748092	BBZVPXNVTBFOID-UHFFFAOYSA-N	501.649	2.614	0	40	KFAB	
O=C1NC[C@H]2O[C@H](CCOc3ccccc3C(=O)N3CCN(Cc4ccc(Cl)c(F)c4)C[C@@H]13)CC[C@@H]2O	253403583	QDBQLGQVMFMODH-ZDKQOFBKSA-N	532.012	2.613	0	40	KFAB	
COc1cc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)NCc2ccccc2)ccc1OC(C)=O	409386509	LYIVKENNBQRACE-SXOMAYOGSA-N	623.567	2.706	0	40	KFAB	
CC(=O)N1CCC(c2cnc(CCC(=O)N3CCN(C)CCCN(C(C)=O)c4ccccc4C3)cn2)CC1	643553647	CCPKSCIAPNJVIH-UHFFFAOYSA-N	520.678	2.852	0	40	KFAB	
O=C1CN(Cc2ccccc2)Cc2c(cccc2C(=O)NCCS(=O)(=O)N2CCCC2)OCCCCCN1	643573544	QMZLQOJXZOCJDH-UHFFFAOYSA-N	542.702	2.523	0	40	KFAB	
CC(C)C[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCc2ccncc2)CC(=O)N[C@H](CC(C)C)C(=O)N1C	643583796	AEPPJCDTPMQODC-ZKMPZPQNSA-N	551.688	2.683	0	40	KFAB	
COCC(=O)N1C[C@H](CC(C)C)N(C(=O)CSc2nc3ccccc3s2)CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)C1	643912976	FWSURFWQDKUEMF-PGTSUSQTSA-N	597.800	2.654	0	40	KFAB	
COc1cccc([C@H](C(=O)NCc2ccccc2)N(CCN2CCOCC2)C(=O)Cn2nnc3ccccc32)c1	932003	RERVDYCZBRXIOK-GDLZYMKVSA-N	542.640	2.658	0	40	KFAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)c4c(Br)c(C(F)(F)F)nn4C)[C@@H]3SC2)s1	2785123	MYAWRWVUDMJDSE-CLAHSXSESA-N	599.436	2.506	0	40	KFAB	
O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O)NCCN1C(=O)CSC1=O	3317935	HZRHJSJLQPKBKU-UHFFFAOYSA-N	536.349	2.762	0	40	KFAB	
COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nc3cc4c(cc3s2)OCCO4)cc1	9832546	ZFBQXXGZTSTFMH-UHFFFAOYSA-N	507.590	2.603	0	40	KFAB	
CC(C)CN(C(=O)COC(=O)CCC(=O)c1ccc(F)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	23080538	ODNNCCRODJPDSO-UHFFFAOYSA-N	524.549	2.502	0	40	KFAB	
CCn1cc(C(=O)O)c(=O)c2cnc(N3CCN(C(=S)NC(=O)c4cccc(OCc5ccccc5)c4)CC3)nc21	29747448	SFFVSCFDMFTUKR-UHFFFAOYSA-N	572.647	2.926	0	40	KFAB	
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O	70700942	QBUIPQGZMFCACX-IMNFJDCFSA-N	536.629	2.620	0	40	KFAB	biogenic
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(OC)c1	98046155	KUZUDDCJAJFYCO-VWLOTQADSA-N	549.584	2.702	0	40	KFAB	
COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)N3CCOCC3)c(=O)cc1[C@@H](NC(C)=O)CC2	108448912	CPMOUFOVJCDWLD-QFIPXVFZSA-N	539.629	2.914	0	40	KFAB	biogenic
COc1ccc(OC)c(N(CC(=O)NCc2ccccn2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	113936046	XSLKFEYZWSSCND-UHFFFAOYSA-N	501.561	2.628	0	40	KFAB	
O=C1c2c(I)c(I)c(I)c(I)c2C(=O)N1CCO	150385136	UAIXXDYNQPBCRF-UHFFFAOYSA-N	694.770	2.693	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O	222842472	AYEXKPUXRONVFA-AWEZNQCLSA-N	502.420	2.931	0	40	KFAB	
COC(=O)[C@@H]1CN(C(=O)c2ccc(OC)c(S(=O)(=O)NCCc3ccccc3)c2)c2ccccc2O1	222929508	ZOGKDLRZVKTWMB-QHCPKHFHSA-N	510.568	2.797	0	40	KFAB	
COc1ccc(-c2coc3ccc(O[C@@H]4O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]4OC(C)=O)c(OC(C)=O)c3c2=O)cc1	254746362	RFTHIXXAUSTEOS-KRRGAGJTSA-N	656.593	2.856	0	40	KFAB	
O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O	6093117	HFHNIYNEPBSEFD-UHFFFAOYSA-N	514.523	2.721	0	40	KFAB	
COCCNC(=O)[C@@H](c1ccc2ncccc2c1)N(Cc1ccc(F)cc1)C(=O)c1snc(C(N)=O)c1N	6136194	FFSJZRQKKPPSRW-JOCHJYFZSA-N	536.589	2.658	0	40	KFAB	
O=C(CSCC(=O)OCC(=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1)Nc1ccc(Cl)cc1	13121591	JEKSABFYHLLNNX-LJQANCHMSA-N	511.021	2.775	0	40	KFAB	
COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1C(=O)N1CCC(C)CC1	215914731	RVOLEBPWOUVBGF-UHFFFAOYSA-N	545.643	2.959	0	40	KFAB	
COc1cccc(CN(C(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)c1	223052590	SXIZDTKPQZNCGR-SFHVURJKSA-N	515.632	2.952	0	40	KFAB	
COC(=O)c1cc(NS(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3)s2)cc(C(=O)OC)c1	223207074	PTAWPAHCVSFZBK-UHFFFAOYSA-N	510.937	2.818	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O	223507167	AYKVASFLROTFFI-LJQANCHMSA-N	515.632	2.954	0	40	KFAB	
COC(=O)[C@H]1CN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)c2ccccc2O1	226083090	GSGSNVDPHNQJHD-FOIQADDNSA-N	523.405	2.817	0	40	KFAB	
CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Br)c(OCC(=O)OC)c(OC)c2)C1=O	409016726	VMQIMPXBLPZQMB-CEITULEQSA-N	502.339	2.997	0	40	KFAB	
O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1	409173387	LUODOQKTZRTNKP-UHFFFAOYSA-N	505.961	2.924	0	40	KFAB	
CC(C)C[C@H]1COc2ccc(Cl)cc2C(=O)NCCCCN(C(=O)CCc2cnn(C)c2)CC(=O)N1	643556962	SRUIPIJFJNDWAO-NRFANRHFSA-N	518.058	2.968	0	40	KFAB	
O=C1C[C@@H](C(=O)NCCc2ccccc2F)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCC2)N1	643576510	NWQYLOBOJFOKEI-KYJUHHDHSA-N	671.770	2.728	0	40	KFAB	
COc1cccc(CCNC(=O)[C@@H]2CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCCOc3ccccc3C(=O)N2)c1	643580324	CAIVMKFXQWIVQU-IMKBVMFZSA-N	735.838	2.602	0	40	KFAB	
O=C(c1ccc2c(c1)CNCCCCCCCN2C(=O)COc1ccccc1)N1CCN(CCO)CC1	643583724	INGSHMKGUACQRA-UHFFFAOYSA-N	508.663	2.902	0	40	KFAB	
O=C(CN1CCO[C@]2(CC=CCc3ccccc3OCCNC2=O)C1)Nc1ccc(OC(F)F)cc1	2037884913	HYYDBWUSKYBEDO-AREMUKBSSA-N	501.530	2.995	0	40	KFAB	
COC(=O)c1ccc(S(=O)(=O)N(Cc2cccnc2)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1	6136103	CEJQDWUPTXIEJT-UHFFFAOYSA-N	507.524	2.830	0	40	KFAB	
COc1ccc(/C=c2/sc3n(c2=O)N[C@]2(c4ccccc4)N(C)C(=O)N(C)[C@]2(c2ccccc2)N=3)cc1	8670486	MMGMNUOTXKHGRH-YYWVOTSTSA-N	511.607	2.627	0	40	KFAB	
O=C(Nc1ccncc1NC(=O)c1cccc(N2C(=O)CCC2=O)c1)c1cccc(N2C(=O)CCC2=O)c1	9404535	QWDWESWKHSZBLZ-UHFFFAOYSA-N	511.494	2.893	0	40	KFAB	
CCOC(=O)N1CCN(C(=O)CSc2nc3c(c(=O)n2CCc2ccccc2)S[C@H](C)C3)CC1	11726644	WIONVYBCITXOFM-QGZVFWFLSA-N	502.662	2.916	0	40	KFAB	
COc1ccc(NC(=O)CSc2nc(-c3ccc(F)cc3)nc3c2c(=O)n(C)c(=O)n3C)c(OC)c1	11758194	MVRRWUUGXFOFJM-UHFFFAOYSA-N	511.535	2.581	0	40	KFAB	
Cc1ccc(C)c2[nH]c(=O)c(CN(CCN3CCOCC3)Cc3nnnn3Cc3ccc(F)cc3)cc12	20109339	WZVRIZZJIIBIEN-UHFFFAOYSA-N	505.598	2.653	0	40	KFAB	
O=C([C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	20493045	DIXNDZACSQNRAQ-XMMPIXPASA-N	513.660	2.734	0	40	KFAB	
CC(=O)Nc1cc(NC(C)=O)cc(C(=O)O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1	23074377	KGTRALCYFMTOFC-OAHLLOKOSA-N	516.576	2.572	0	40	KFAB	
COCCCNC(=O)CCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(Br)cc2F)c1=O	33356058	DEVAJTCSKZXLBM-UHFFFAOYSA-N	549.397	2.636	0	40	KFAB	
COc1ccc(CCN2C(=O)[C@@H]3[C@H](C(=O)Nc4cc(C)on4)[C@]4(C)C=C[C@]3(O4)[C@H]2C(=O)NC(C)(C)C)cc1	33939923	NSDQYXOKVQAGLP-KUOMHSFESA-N	522.602	2.628	0	40	KFAB	
COc1cc([C@@H](C(=O)NC[C@@H]2CCCO2)N(Cc2ccc3c(c2)OCO3)C(=O)Cn2nnc3ccccc32)ccc1O	100336337	VLLDDLNARIMKCG-LGGPFLRQSA-N	573.606	2.940	0	40	KFAB	
CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](CC(N)=O)N[C@@]4(C(=O)N(Cc5ccccc5Cl)c5ccccc54)[C@H]3C2=O)cc1	103006237	ZALQIYJYTUALPI-HVSOMOSWSA-N	572.021	2.694	0	40	KFAB	
COC(=O)Cn1c(=O)c(C(=O)CSc2nc3ccccc3c(=O)n2Cc2ccccc2)c(N)n(Cc2ccccc2)c1=O	103084815	WQLLELVNNSLLOK-UHFFFAOYSA-N	597.653	2.547	0	40	KFAB	
CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	224538894	HTMMVCZRCVKHKH-NRFANRHFSA-N	503.621	2.761	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)c2ccccc2OC)cc1	408614083	ZYGKXFKKIHLAEZ-UHFFFAOYSA-N	510.572	2.728	0	40	KFAB	
COc1ccc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)cc1OC	408659942	UABZADVCNVDRRF-CYBMUJFWSA-N	510.330	2.686	0	40	KFAB	
CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc(I)c1O	409249836	PDWWIQLCEHJOAX-OQLLNIDSSA-N	537.310	2.936	0	40	KFAB	
CCCCCCN1C[C@@H]2Oc3cc(-c4cccc(OC)c4)ccc3S(=O)(=O)NC[C@H](O)CN(C)[C@@H]2C1	1534611605	ALYYXNKNJVTWIK-FBILRYNDSA-N	517.692	2.959	0	40	KFAB	
C[C@@H](OC(=O)c1ccccc1NS(=O)(=O)c1cc(F)ccc1F)C(=O)Nc1ccc(S(N)(=O)=O)cc1	6143032	GPTIAENQEDJLQZ-CYBMUJFWSA-N	539.538	2.597	0	40	KFAB	
CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)NCC2CCC(C(=O)O)CC2)CC1	8952602	YZRKUTTYVWZOQF-OZMAMDIPSA-N	535.707	2.934	0	40	KFAB	biogenic
CCCn1c(=O)n(C)c(=O)c2c(SCC(=O)NC[C@@H](c3ccccc3)N(C)C)nc(CC(C)C)nc21	13000586	FOBWSMDQUAQHSA-IBGZPJMESA-N	512.680	2.610	0	40	KFAB	
CC(=O)O[C@H]1C[C@H]2[C@@H](C)C(=O)[C@@]3([C@@H]1[C@@]14CCC[C@@](C)(CO[C@@H]1OC(C)=O)[C@H]4C[C@H]3OC(C)=O)[C@@H]2OC(C)=O	68564906	WJHJRKXBNNQXFF-XBZSTOSESA-N	534.602	2.739	0	40	KFAB	
CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(CCOC)CCOC)cc2)sc2c1CCC2	90421196	AABIEEPKHDYPTM-UHFFFAOYSA-N	510.634	2.949	0	40	KFAB	
CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O	95585892	UVBUBMSSQKOIBE-CEORBHCSSA-N	721.838	2.564	0	40	KFAB	biogenic,in-vitro
CCOC(=O)C1=C(Cn2c(Nc3ccc(C)cc3)nc3c2c(=O)n(C)c(=O)n3C)N(C)C(=O)N[C@H]1c1ccccc1	100227603	HGDNBMQVYPWAMG-QFIPXVFZSA-N	557.611	2.699	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	223104267	XZENOMUBDXHRQB-ZWKOTPCHSA-N	523.627	2.941	0	40	KFAB	
Cc1ccc(CN(C(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C)cc1	224193519	YXKHFXKTKNXTBZ-FQEVSTJZSA-N	517.648	2.722	0	40	KFAB	
CC[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O	224334986	PHJTWAZBWWMZJY-QFIPXVFZSA-N	574.121	2.873	0	40	KFAB	
Cn1nccc1CCC(=O)N1CC[C@H](Oc2cccc(Br)c2)[C@@H](CC(=O)N2CCOCC2)C1	257281680	OQLNFOABLDBFAT-AVRDEDQJSA-N	519.440	2.660	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	261048434	ZQDUBGVJCSVINE-OALUTQOASA-N	503.621	2.822	0	40	KFAB	
C[C@]1(NC(=O)Nc2ccc(-c3ccc(NC(=O)N[C@@]4(C)CCS(=O)(=O)C4)cc3)cc2)CCS(=O)(=O)C1	575425283	XRYWVRXSBFYFIN-ZEQRLZLVSA-N	534.660	2.751	0	40	KFAB	
COCCNC(=O)[C@@H]1CCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)CCCCCCOc2ccccc2C(=O)N1	1615154034	DZLIPYOPVUPPAM-CHQNGUEUSA-N	679.859	2.997	0	40	KFAB	
Cc1cc(=Nc2cc(N3CCN(C)CC3)nc(CC3CCN(C(=O)[C@@H]4CCCCN4C(=O)OC(C)(C)C)CC3)n2)[nH][nH]1	2037649469	LHSOCAQBOQCCJT-QHCPKHFHSA-N	581.766	2.996	0	40	KFAB	
Cc1nn(C)cc1[C@@H](C(=O)NC1CCCCC1)N(C(=O)Cn1nnc2ccccc21)c1ccc(S(=O)(=O)N(C)C)cc1	922698	ADQFMPBJULGAGW-NDEPHWFRSA-N	592.726	2.947	0	40	KFAB	
O=C(COC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ncc(C(F)(F)F)cc1Cl	8671014	ZZBMMZBXRHWIOR-UHFFFAOYSA-N	535.928	2.889	0	40	KFAB	
COc1cc(CCN2C(=O)c3cccc4cccc(c34)C2=O)cc(S(=O)(=O)N2CCOCC2)c1OC	9334440	UGPDJOKEAGJVFO-UHFFFAOYSA-N	510.568	2.717	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)c1cccc(I)c1	12622136	JHZGKESITQEBJB-UHFFFAOYSA-N	502.330	2.645	0	40	KFAB	
CCn1cc(C(=O)NCCC(=O)NCCc2c[nH]c3cc(OC)ccc23)c(=O)c2cc3c(cc21)OCO3	12893990	HMRPDFITXWJGLT-UHFFFAOYSA-N	504.543	2.719	0	40	KFAB	biogenic
CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCC(=O)Nc1ccc(C)cc1	12972730	USIGOSJLQKJFCE-UHFFFAOYSA-N	507.634	2.725	0	40	KFAB	
Cc1cc(C)nc(SC2=C(Nc3ccc(S(N)(=O)=O)cc3)C(=O)N(CCc3ccccc3)C2=O)n1	13149252	SKAGHXNFSOHKLL-UHFFFAOYSA-N	509.613	2.768	0	40	KFAB	
Cc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c(C)c1	19961984	KLIWJBBWKUGOJT-QHCPKHFHSA-N	531.579	2.800	0	40	KFAB	
CCC(C)(C)n1nnnc1[C@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)N1CCN(Cc2ccncc2)CC1	19973367	NQJVKHLOABHTFS-VWLOTQADSA-N	532.649	2.979	0	40	KFAB	
CCCn1cc(C(=O)N2CCN(CC(C)C)CC2)c(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)n1	67337866	YHNDKXQJFCXIKZ-UHFFFAOYSA-N	537.130	2.871	0	40	KFAB	
CC(=O)O[C@@H]1[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@@H](n2ncc(=O)[nH]c2=O)[C@@H]1OC(C)=O	70664612	DTIOOVBYGKQQLB-YXINZVNLSA-N	571.586	2.701	0	40	KFAB	biogenic
O=C(O)[C@H]1O[C@@H](O[C@@H](CC[C@H]2C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(O)cc2)c2ccc(F)cc2)[C@H](O)[C@@H](O)[C@@H]1O	77292477	MPXLJVWGRVISEQ-ADEYADIWSA-N	585.556	2.805	0	40	KFAB	in-vitro
COc1ccc(Cc2nn([C@@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)c(=S)n(-c3ccc(OC)cc3)c2=O)cc1	82186655	GGRYTMHFAXMTQD-MCSYESGPSA-N	685.708	2.627	0	40	KFAB	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1	97982894	WHKHXNRMFOHPJF-UHFFFAOYSA-N	604.682	2.736	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1	103102524	YEYSTLLAEJTEOQ-QZTJIDSGSA-N	551.687	2.707	0	40	KFAB	
CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1OCC)S(C)(=O)=O	224530091	BCVDCIIKAPBGAP-OAQYLSRUSA-N	505.637	2.803	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	225359089	VHAFBGREODAUFA-RTBURBONSA-N	535.663	2.810	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1F)S(C)(=O)=O	225452400	VRPDCADINJGQQS-CQSZACIVSA-N	500.390	2.518	0	40	KFAB	
COC(=O)/C=C/[C@]12COC(C)(C)[C@@H]1[C@H](O)[C@H](OC(C)=O)[C@]1(C)[C@@H]2CC[C@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@@]312	252507094	XWOZTQQJYJMHSX-SGPGHCLRSA-N	544.597	2.885	0	40	KFAB	biogenic,in-vitro
Cn1c2c(c(=O)n(C)c1=O)C[C@]1(CCCN(C(=O)CCCn3c(C(F)(F)F)nc4ccccc43)CC1)O2	257317822	VLGZPTTXQJNZGL-XMMPIXPASA-N	519.524	2.619	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(CCc1ccccc1)[C@H](C)C(=O)NCC(C)C)c1ccc2c(c1)OCO2	260877965	HNVCLHDCDOAEGV-HXUWFJFHSA-N	517.648	2.803	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	260984865	BQUJYOKPHWHVMK-ROUUACIJSA-N	521.611	2.695	0	40	KFAB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(O)c(OCC)c3)c2=O)=N[C@H]1c1ccc(O)c(OC)c1	408730881	JVYMICJVWHVZPF-JUTHHCEFSA-N	510.568	2.726	0	40	KFAB	
Cn1c(=O)[nH]c(=O)c2c1nc1n2C[C@H](COc2c(Br)cc(Br)cc2Br)O1	1242753	XHAFOTKBEOMRKD-SSDOTTSWSA-N	550.989	2.551	0	40	KFAB	
COCc1nn2c(nnc3c(=O)n(NC(=O)COc4cccc5cccnc45)ccc32)c1-c1ccccc1	40391265	DXPZOEMDOFPQDQ-UHFFFAOYSA-N	507.510	2.950	0	40	KFAB	
CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O	67910569	UVBUBMSSQKOIBE-HKWHIEINSA-N	721.838	2.564	0	40	KFAB	biogenic,in-vitro
CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@@H](C(=O)O)c1ccccc1	70705125	ZGLQHFKOOXZPDW-JIMJEQGWSA-N	556.619	2.947	0	40	KFAB	biogenic
C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@H](OC(=O)CCC(=O)O)CC[C@]34COC(=O)CCC(=O)O)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1	118920535	PORLQGCIBQPFNX-BGAIMZBZSA-N	606.665	2.523	0	40	KFAB	
CCCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222703727	SHEUXDGHPNLLTI-QFIPXVFZSA-N	531.675	2.810	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	223440178	ZWZNJXGZQAVWLQ-LJQANCHMSA-N	535.663	2.812	0	40	KFAB	
O=C(C[C@H]1CN(C(=O)CCN2CCCC2)CC[C@@H]1Oc1cccc(Br)c1)N1CCOCC1	257236126	HAXHTEITXCJDPX-UGKGYDQZSA-N	508.457	2.780	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1cccc(C)c1)[C@H](C)C(=O)NC(C)C)c1ccc2c(c1)OCCO2	260704483	AUFDAGXNKYVWHM-HXUWFJFHSA-N	517.648	2.864	0	40	KFAB	
COc1cccc(OC)c1C(=O)NN1C[C@@H](C(=O)OCC(=O)Nc2cc(C)c(Br)c(C)c2)CC1=O	408657226	OLSQIXQLCFRWIZ-HNNXBMFYSA-N	548.390	2.758	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OCCCn3cccn3)c(OC)c2)C[C@](O)(COc2ccc(F)c(F)c2)C1	585281153	WRWZQQOLFOGPPO-GDLZYMKVSA-N	574.625	2.740	0	40	KFAB	
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	2060999641	VNVVACHTDGQAHA-PJAOMTMKSA-N	767.010	2.810	0	40	KFAB	
CN(C(=O)COC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1	2639850	MCBNORAPEVEBDA-DQACCSDVSA-N	537.594	2.512	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(C(=O)OCCN(C2=NS(=O)(=O)c3ccccc32)c2ccccc2)cc1	3651197	BJLZIZFWRGPCQX-UHFFFAOYSA-N	513.597	2.749	0	40	KFAB	
O=C(CS(=O)(=O)c1ccccc1)N[C@H]1CCN2C(=O)c3cc(-c4cccs4)ccc3NC(=O)[C@@H]2C1	3840457	FWXGKYJBABLMJZ-UWJYYQICSA-N	509.609	2.931	0	40	KFAB	biogenic,in-vitro
COCCNC(=O)[C@@H](c1ccc2ncccc2c1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1F	6136207	HLEUDRRRUCJFEF-OAQYLSRUSA-N	522.562	2.662	0	40	KFAB	
O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1	12528754	OUJMBJAZHGOZTN-UHFFFAOYSA-N	519.576	2.900	0	40	KFAB	
Cc1ccc(-c2nnn(CC(=O)N(C[C@H]3CCCO3)[C@H](C(=O)NC3CCCC3)c3ccc(O)cc3)n2)o1	12702754	JOXMQHYXXWCKDR-QPPBQGQZSA-N	508.579	2.755	0	40	KFAB	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@H]5CO[C@@H](c6cccs6)O[C@@H]5[C@@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O	67957215	NRUKOCRGYNPUPR-JBDVFOBASA-N	656.662	2.753	0	40	KFAB	
O=C(CCSCCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	97959882	WCSMMHSZHCMRTF-UHFFFAOYSA-N	582.723	2.646	0	40	KFAB	
COc1ccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1OC	100472027	XDHAXZWLLZFTRN-RUZDIDTESA-N	539.654	2.874	0	40	KFAB	
O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1)Nc1ccc(Oc2ccccc2)cc1	101264766	REDITJJYTODDJY-MHZLTWQESA-N	585.661	2.681	0	40	KFAB	
CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)C1=O	103139456	QHJSXSFZRMDRHF-DEOSSOPVSA-N	535.022	2.547	0	40	KFAB	
C/C(=C\C(=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	109561975	MINDHVHHQZYEEK-VCMNPPQNSA-N	500.629	2.593	0	40	KFAB	biogenic,in-vitro
COC(=O)[C@]1(CCSC)N[C@H](c2ccc(OC)cc2OC)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21	222001948	MVRMFYUVGCIKMK-DVAKJLRASA-N	542.610	2.590	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	222758520	XSFGQYQSWJHCAC-ZDUSSCGKSA-N	516.403	2.651	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	222977022	RVBJHWJCQYQFSJ-IBGZPJMESA-N	503.621	2.557	0	40	KFAB	
CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	225444431	GAXXPKUHZXKDJP-HSZRJFAPSA-N	506.644	2.815	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(I)cc1C	408702624	MVQPBGHRGJKCMK-UHFFFAOYSA-N	516.357	2.881	0	40	KFAB	
CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3cc(I)c(O)cc3O)c2=O)=N1	409038539	PBXYBRAXABACPU-JZVSFUAJSA-N	562.385	2.814	0	40	KFAB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]2NCc2ccccc2)cc1NC(C)=O	575425935	JIGZGUXAMDFDIO-IZZNHLLZSA-N	557.694	2.800	0	40	KFAB	
COc1ccc(CN2CCN(C(C)=O)C[C@@](O)(COc3ccc(F)cc3)C2)cc1OCCCn1cccn1	585280294	MGKQBTZXBMQOHM-MUUNZHRXSA-N	526.609	2.974	0	40	KFAB	
CCCCCC[C@H]1C(=O)O[C@H](C)[C@@H](O)C=CC=CC=CC=CC=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	1070020037	YMIXNQVKVPYZHL-KXYNYHGHSA-N	638.839	2.917	0	40	KFAB	biogenic
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)c4c(Br)c(C(F)(F)F)nn4C)[C@H]3SC2)s1	2785122	MYAWRWVUDMJDSE-RMLUDKJBSA-N	599.436	2.506	0	40	KFAB	
Cc1cc(=O)oc2ccc(OCC(=O)OCC(=O)COC(=O)COc3ccc4oc(=O)cc(C)c4c3)cc12	3664492	QINJKVYAFGKIHI-UHFFFAOYSA-N	522.462	2.630	0	40	KFAB	
COCCNC(=O)[C@H](c1ccc(F)cc1)N(Cc1ccccc1Cl)C(=O)c1snc(C(N)=O)c1N	6905053	YVYQQWIQAGQJQB-IBGZPJMESA-N	519.986	2.763	0	40	KFAB	
COc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N(C)C[C@@H]4CCCO4)cc3)o2)c(OC)c1	11883299	ZGQORPHZWXXYJX-KRWDZBQOSA-N	502.549	2.806	0	40	KFAB	
CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1	20458264	PQLJEYURIGRDQK-UHFFFAOYSA-N	503.606	2.932	0	40	KFAB	
COc1ccc(OC)c(-n2c(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nnc2SCC(=O)Nc2nccs2)c1	100840312	UAJCGGWXZFZKSQ-UHFFFAOYSA-N	617.735	2.652	0	40	KFAB	
Cc1cccc(N(CCN2C(=O)CSC2=O)[C@H]2SC(=O)N(CCN3C(=O)c4ccccc4C3=O)C2=O)c1	101112367	CMJSNSFXRMUDMX-QHCPKHFHSA-N	538.607	2.815	0	40	KFAB	
COC(=O)c1nc(S)nc(C(=O)OC)c1C(=O)c1ccc(N2CCN(c3ccc(C(=O)c4c(C(=O)OC)nc(S)nc4C(=O)OC)cc3)CC2)cc1	150405790	SZGGISRFFLHJAN-UHFFFAOYSA-N	746.780	2.779	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	222548295	WJGOSBPWDUSVAJ-XMSQKQJNSA-N	515.632	2.952	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	225365052	WYZOQEXHVPZLFX-QZTJIDSGSA-N	519.620	2.522	0	40	KFAB	
C[C@@]12C=C[C@@]3(O1)[C@H](C(=O)N(C[C@@H]1CCCO1)[C@H]3C(=O)NC1CCCCC1)[C@H]2C(=O)NCc1cccs1	245230536	UFBZYNGEHDMXAQ-MLNQCCBUSA-N	513.660	2.533	0	40	KFAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3O)c(=O)n2[C@@H]1c1ccccc1OC	409096423	KIEZGAPONKMOFC-JDCXBEBJSA-N	507.612	2.826	0	40	KFAB	
CCOC(=O)COc1c(Br)cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1OC	409400157	PMPFLOJTAFRFHM-NVNXTCNLSA-N	537.319	2.872	0	40	KFAB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H]2CS(=O)(=O)C[C@@H]2NCc2ccccc2)cc1	575426412	SRBLGIZPSKPQGX-DQEYMECFSA-N	500.642	2.842	0	40	KFAB	
COc1ccc(Br)cc1[C@H]1Nc2cc(C(F)(F)F)c(S(N)(=O)=O)cc2S(=O)(=O)N1	3225898	GKOAFYRWXGFZNM-AWEZNQCLSA-N	516.317	2.527	0	40	KFAB	
O=C(Nc1ccc(Cl)cc1)Nc1nnc2nc([C@@]3(c4nc5nnc(NC(=O)Nc6cccc(Cl)c6)n5[nH]c4=O)CCCC3=O)c(=O)[nH]n12	5314553	FEHSWCLSIOHKAJ-HHHXNRCGSA-N	691.456	2.573	0	40	KFAB	
COc1ccc(CCNC(=S)N(CCN2CCOCC2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1OC	6240114	LEHQNCOPGSJBGN-UHFFFAOYSA-N	568.696	2.568	0	40	KFAB	
C[C@H](C(=O)NC1CCCC1)N(C(=O)C[S@@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1F	19941228	YCZMQZUMHHIFQQ-CUPYOXQXSA-N	517.579	2.722	0	40	KFAB	
CCOC(=O)C[C@H](O)C[C@H](O)/C=C\c1c(-c2ccc(F)cc2)nc(N(C)S(C)(=O)=O)nc1C(C)C	45329768	MSHKEMUMXTZIIT-DBBWNDPISA-N	509.600	2.880	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1	60028229	LCMZBXGEEFLLKU-NRFANRHFSA-N	544.051	2.689	0	40	KFAB	
CCCCN1CCN(C(=O)c2cn(CC)nc2S(=O)(=O)N2CCN(c3cc(C)ccc3C)CC2)CC1	67337491	CVOGRLGRRDSNKB-UHFFFAOYSA-N	516.712	2.589	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)O)c(OC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1	70459593	PCDIWWXMGHCGSL-SNXNUMJZSA-N	542.997	2.924	0	40	KFAB	
CC(=O)N[C@H]1[C@H](Oc2ccc3c(=O)c(-c4ccccc4)c(C)oc3c2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	70670151	GYXQEHNTUUSVMG-CXRHZIOTSA-N	581.574	2.803	0	40	KFAB	biogenic
COc1ccc(CCN2C(=O)[C@@H]3[C@@H](Cc4ccc(O)cc4)N[C@@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)cc1OC	70704879	IYZRVZXYQAVOMV-AKKJASCUSA-N	545.567	2.754	0	40	KFAB	biogenic
O=S(=O)(NC[C@H]1CCCO1)c1ccc(S(=O)(=O)N(Cc2ccccc2F)C[C@@H]2CCCO2)cc1	101266820	KHBCZPQKXRVULX-UXHICEINSA-N	512.625	2.653	0	40	KFAB	
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccc(C)cc5)sc4n3)CC2)cc1	101510846	GUTILRIGCDUHQO-UHFFFAOYSA-N	538.655	2.591	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC(=S)N1CCN(c2cccc(C(F)(F)F)c2)CC1	102928228	CPWOGXYSOHTZPN-UHFFFAOYSA-N	556.632	2.872	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2	222850912	KWOXIUSWLNEGAV-IBGZPJMESA-N	571.627	2.964	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)c1	223036807	IQBUYOIRYYLGOB-SFHVURJKSA-N	535.663	2.810	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)Nc1ccccc1C(=O)NCc1cccnc1	223514198	LMSIAHLCWSBZKS-UHFFFAOYSA-N	538.626	2.612	0	40	KFAB	
CC(C)CS(=O)(=O)N1CC2(CCN(CC(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)CC2)CCC1(C)C	257318174	VMTXLYRQDVSSJU-UHFFFAOYSA-N	584.805	2.588	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)cc3O)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409037216	SRBDWVNZBYHFNQ-WNSYTLDPSA-N	694.500	2.765	0	40	KFAB	
CC(=O)N[C@@H]1[C@H](Sc2nnc(COc3ccc(C)cc3)n2-c2ccccc2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	504259641	BAOWBHPLHKZFJM-GLOKNNJPSA-N	626.688	2.903	0	40	KFAB	biogenic
CCOC(=O)CC1=C(C(=O)OCC)[C@@]2(C(=O)Nc3ccccc32)C(C(=O)OCc2ccccc2)=C(N)O1	989366	QFPDVUSXTMCLDE-HHHXNRCGSA-N	506.511	2.591	0	40	KFAB	biogenic
CCOC(=O)C1=C(N)n2c(s/c(=C\c3ccccc3Cl)c2=O)=C(C(=O)OC)[C@@H]1c1ccccc1Cl	2263248	LESYMUNRTNKHTN-XUDLPTGHSA-N	531.417	2.857	0	40	KFAB	
CCn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1	6878267	UQMMHURYMVXVGR-UHFFFAOYSA-N	513.645	2.667	0	40	KFAB	
COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=S)N2CCc2ccc(S(N)(=O)=O)cc2)cc1	6973819	GWGCUQJZVGKLJV-QHCPKHFHSA-N	538.651	2.916	0	40	KFAB	
CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)c1cc(C)on1)C(C)C)Cc1ccc(F)cc1	11682519	CAYJBRBGZBCZKO-IFILWLFVSA-N	598.672	2.825	0	40	KFAB	
Cc1ccccc1N(C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)[C@H](C)C(=O)NC1CCCC1	12709526	IRAFLPRTEULCPU-QCNWMPOZSA-N	513.616	2.891	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)cc3OC(C)=O)c(=O)n2[C@@H]1c1ccccc1	13739325	CXQYWKSHDOTWCM-LYRGBEMXSA-N	520.563	2.649	0	40	KFAB	
Cc1ccccc1N(CC(=O)NC1CCCCC1)C(=O)C[S@@](=O)CC(=O)Nc1ccc2c(c1)OCO2	19941251	JXRCPFUEPGFOKS-PSXMRANNSA-N	513.616	2.893	0	40	KFAB	
CC[C@H](SC1=Nc2ccccc2C2=N[C@H](CC(=O)NCc3ccco3)C(=O)N12)C(=O)NCCCOC	20643033	RUBBAQOQMGPOHD-UXHICEINSA-N	511.604	2.609	0	40	KFAB	
COc1ccccc1[C@H](CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)N1CCCC1	32983098	JKDSZDNGMAXPQU-QFIPXVFZSA-N	508.040	2.936	0	40	KFAB	
CCCC[C@@H]1C(=O)O[C@@H](C)[C@@H](NC(=O)c2cccc(NC=O)c2O)C(=O)O[C@@H](C)[C@@H]1OC(=O)CC(C)C	35191602	PVEVXUMVNWSNIG-VXTFTSAYSA-N	520.579	2.700	0	40	KFAB	
C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)O)C(C)C)CC[C@]4(C)[C@@H]3CC[C@@]21C	70687745	KNRYIIYGPWGEQP-LJWFBJGNSA-N	612.768	2.662	0	40	KFAB	biogenic
COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1OCOc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)OC	100926326	DZZVWUKYFKIDGP-GOTSBHOMSA-N	536.541	2.704	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	222669966	SJFMCWVTWHTPSG-JOCHJYFZSA-N	570.465	2.980	0	40	KFAB	
COC(=O)CSc1nnc(NC(=O)CCc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)s1	223305663	SOWUAUCHMDMBPV-UHFFFAOYSA-N	514.651	2.558	0	40	KFAB	
CC(C)c1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)cc1	224288017	JKALKNJWZLLPMF-UHFFFAOYSA-N	523.677	2.556	0	40	KFAB	
CCn1c(=O)sc2cc(NC(=O)CCc3cc(S(=O)(=O)N4CCOCC4)ccc3OC)ccc21	225124658	BLAIDKFTNVASSC-UHFFFAOYSA-N	505.618	2.684	0	40	KFAB	
CCCNS(=O)(=O)c1ccc(OCC(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)c(Cl)c1	226081042	MKSNFVGLDHKIDU-UHFFFAOYSA-N	544.095	2.551	0	40	KFAB	
COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCCSc2nc(-c3ccccc3)n[nH]2)C1	260752099	XJYZLLZUJSNVQT-KRWDZBQOSA-N	519.624	2.929	0	40	KFAB	
COC(=O)c1cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(C)ccc3OC)C2)cc(C(=O)OC)c1	408584115	LSHUDUOLOGDSTK-MRXNPFEDSA-N	504.561	2.616	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(OC)c(OC)cc3C(=O)OC)C2)cc1	408590501	HOTXPGXZERAZSH-MRXNPFEDSA-N	506.577	2.929	0	40	KFAB	
COc1ccc(N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)S(=O)(=O)c2ccccc2)c(OC)c1	409137629	XKJSRJNKVYGULO-UHFFFAOYSA-N	533.628	2.934	0	40	KFAB	
Cc1ccnn1CCC(=O)N1CCCCNC(=O)c2cc(Cl)ccc2OC[C@@H](C(C)C)NC(=O)C1	643559197	QCIQBVDFAALEKU-NRFANRHFSA-N	504.031	2.807	0	40	KFAB	
CC[C@H](C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCOc2ccc(OC)cc2)NC(=O)c2ccccc2OC[C@@H](CC(C)C)NC1=O	643564660	XWQZIYZMJLWUGW-LEEWXGEHSA-N	596.725	2.833	0	40	KFAB	
CNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCCCC1)C(c1ccccc1)c1ccccc1	1772768806	FWVBKWFGQNQMDR-CJBSCAABSA-N	575.754	2.713	0	40	KFAB	
COc1cc(NC(=O)CN2CCC[C@@]3(CC=CCOc4ccccc4C(=O)NCCNC3=O)C2)cc(OC)c1	2037879971	ZUXAUEYYZZTQQC-LJAQVGFWSA-N	536.629	2.609	0	40	KFAB	
COc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1	2150074	QTYDEGCVZJFKGW-CUYJMHBOSA-N	500.599	2.913	0	40	KFAB	biogenic
Cc1cc(C)nc(SCCCn2c(N3CCN(c4cccc(Cl)c4)CC3)nc3c2c(=O)[nH]c(=O)n3C)n1	2595236	NQLFCHCWKQEHCI-UHFFFAOYSA-N	541.081	2.993	0	40	KFAB	
COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)c1C	4633455	MTPSCOXIDACXDL-CQSZACIVSA-N	540.554	2.817	0	40	KFAB	
CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)N[C@H](C(=O)O)c2ccccc2)CC1	12865063	SHFUECUZXIUHFD-YGOYIFOWSA-N	529.659	2.869	0	40	KFAB	biogenic
O=C(OC[C@@H]1O[C@H](n2cc(F)c(=O)[nH]c2=O)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1	33355132	JJFICUPIRKNFIU-UHCVVMIDSA-N	574.517	2.881	0	40	KFAB	biogenic
COc1ccc2cc(CN(Cc3ccc4c(c3)OCO4)Cc3nnnn3C[C@H]3CCCO3)c(=O)[nH]c2c1	57607791	IZEDQCPWSJBBGC-OAQYLSRUSA-N	504.547	2.633	0	40	KFAB	
CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]2OC(C)(C)O[C@H]21	96372397	HAVVIXOQRJHQMM-MJXUCMMTSA-N	507.544	2.913	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O	225358896	QPLCFKAVRYKNSC-RTBURBONSA-N	505.637	2.802	0	40	KFAB	
CCCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(Br)cc3)C2)cc1	408650078	ALMXHWCLHZOLGO-QGZVFWFLSA-N	546.374	2.691	0	40	KFAB	
O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	408863870	QQXVZHZRTMQCNT-HHHXNRCGSA-N	632.786	2.564	0	40	KFAB	
CCOC(=O)CN1C(=O)/C(=c2\sc3n(c2=O)[C@@H](c2cc(Cl)ccc2OC)C(C(=O)OCC)=C(C)N=3)c2ccccc21	409391485	ZWMUMUSRMIRRAO-MYXKAAJQSA-N	596.061	2.740	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OCCCN3CCCCC3=O)cc2)C[C@](O)(COc2ccc(F)c(F)c2)C1	585281441	ZVVSSHLESSCFAQ-SSEXGKCCSA-N	575.653	2.847	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(CCNC(=O)c2ccc3c(c2)Cc2cccc(c2)C(=O)NCCOCCO3)cc1	643588397	GFFHVIYIMLBPCQ-UHFFFAOYSA-N	551.665	2.639	0	40	KFAB	
COc1cccc(-c2ccc3c(c2)OCCC2(CCN(Cc4cccnc4OC)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2S3(=O)=O)c1	1548889057	FPBPDTBCIBEXGW-VPUSJEBWSA-N	622.744	2.823	0	40	KFAB	
Cc1ccccc1OC[C@@H](O)Cn1c(SCC(=O)c2ccc(Cl)cc2)nc2c1c(=O)[nH]c(=O)n2C	863238	IUKITPBAMZFDMY-KRWDZBQOSA-N	514.991	2.800	0	40	KFAB	
COc1cc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc(OC)c1OC	2551766	IGWAYNKUECESGK-UHFFFAOYSA-N	506.562	2.936	0	40	KFAB	
COCCNC(=O)[C@@H](c1ccc2ncccc2c1)N(Cc1ccccc1)C(=O)c1snc(C(N)=O)c1N	6136196	GLVSWLXRDFRKKC-JOCHJYFZSA-N	518.599	2.519	0	40	KFAB	
CCOc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(C)o2)cc1	6601062	RRCFKQVSMWFYKP-LAUBAEHRSA-N	527.603	2.808	0	40	KFAB	
CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OC)c2)n2c(s/c(=C/c3ccc(N4CCN(C)CC4)o3)c2=O)=N1	8399872	VOSGGONBXPHLKF-JNCGISBCSA-N	550.681	2.932	0	40	KFAB	
O=C(c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1)N1CCN(c2ccccc2O)CC1	12522443	OQJZUXSPHUNEOM-UHFFFAOYSA-N	506.628	2.866	0	40	KFAB	
COc1ccc(CCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccco2)cc1OC	100377877	LODKCWULFCVWQQ-RBTNQOKQSA-N	611.673	2.549	0	40	KFAB	
CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	223249922	JYXGABWPACYDFD-XMMPIXPASA-N	519.623	2.916	0	40	KFAB	
CCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1OCC)S(C)(=O)=O	224530146	BCVDCIIKAPBGAP-NRFANRHFSA-N	505.637	2.803	0	40	KFAB	
CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	225732148	ADIFPOVXVMOKNL-OAQYLSRUSA-N	503.621	2.822	0	40	KFAB	
CCOc1cc([C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)N(CCCC(=O)O)C(=O)[C@@H]54)[C@H]23)ccc1O	245228039	ZFUKKOJNNQZJMT-MXTAJDQESA-N	530.624	2.879	0	40	KFAB	
COC(=O)c1cc(OC)c(OC)cc1NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1C	408596400	UTOCMHSQSFWAOF-UHFFFAOYSA-N	506.577	2.991	0	40	KFAB	
CCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(Cl)c(Cl)c3)C2)cc1	408654543	KBXDKRXKMTVSPY-OAHLLOKOSA-N	522.341	2.845	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(O)c(OC)c3)c(=O)n2[C@H]1c1cccc(OC)c1	408990399	VOFFZZLCYVSZJL-PZDOZLBDSA-N	510.568	2.530	0	40	KFAB	
CCOc1c(OC)cccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3cc(OC)ccc3OC)c(=O)n21	409014641	NNQOWNDKOYFRDY-ZMIGGIFCSA-N	568.648	2.849	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C)c4ccccc43)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br	409117928	PNOLRQMPEWADAZ-RKKARLDVSA-N	598.475	2.925	0	40	KFAB	
NC(=O)COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)cc1	409344126	FONDZGKTTKMAIY-SXGWCWSVSA-N	537.335	2.830	0	40	KFAB	
CC(C)C[C@H]1COc2ccc(Cl)cc2C(=O)NCCCCN(C(=O)CCc2ccnn2C)CC(=O)N1	643557395	ZKHCOCRWMHVGOV-FQEVSTJZSA-N	518.058	2.968	0	40	KFAB	
Cc1cc2cc(OCC(=O)N3CCC4(CCCCOC[C@H](C)NC(=O)[C@H](C)NC4=O)CC3)ccc2n1C	643564185	TTWOFEWKZGOIQT-FPOVZHCZSA-N	512.651	2.684	0	40	KFAB	
COc1cc2c(cc1OC)CN(C(=O)COc1c3c(c(Br)c4c1C(=O)N(C)CC4)OCO3)CC2	1547138541	MXZVNLPUSRNRGS-UHFFFAOYSA-N	533.375	2.787	0	40	KFAB	biogenic
Cc1ccc(-c2nnn(CC(=O)N(c3ccccc3)[C@H](C(=O)NC[C@H]3CCCO3)c3ccncc3)n2)o1	903977	LJGPOWPVYYRRCE-QPPBQGQZSA-N	501.547	2.706	0	40	KFAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)CCn4nc(C(F)(F)F)c(Cl)c4C)[C@@H]3SC2)s1	2786714	BJZGECNHMSXRLY-LRDDRELGSA-N	583.039	2.945	0	40	KFAB	
CN(C(=O)CSc1nc2ccc(Br)cc2c(=O)n1Cc1ccco1)[C@@H]1CCS(=O)(=O)C1	3324755	YGNVWLHDAQDCLN-CQSZACIVSA-N	526.434	2.538	0	40	KFAB	
COc1ccc(CC2(CN3CCc4cc(OC)c(OC)cc4[C@@H]3C)C(=O)N(C)C(=O)N(C)C2=O)cc1OC	20112939	CAKBSYKCLKGCOG-KRWDZBQOSA-N	525.602	2.920	0	40	KFAB	biogenic
COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@@H](CC(N)=O)C(=O)O)C(=O)N32)cc1	70705991	IVOSRGGAVGCCOE-DPPGTGKWSA-N	581.585	2.718	0	40	KFAB	biogenic
O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(Br)cc1	102100842	XFWWSCRKANLMNU-OAQYLSRUSA-N	548.869	2.580	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@@H](SCCOc2ccc(Br)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	102809748	ZDUHEZBXPHVNCZ-POHUPDAJSA-N	563.419	2.644	0	40	KFAB	
C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N[C@H](C(=O)O)[C@@H](O)c3ccccc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4	106362158	NQQTYPVPNXLGIQ-DJDYXWDTSA-N	547.601	2.821	0	40	KFAB	biogenic
CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC[C@H]2CCCO2)cc1	222717205	UYSWHMOCCBCZMD-NZQKXSOJSA-N	501.649	2.630	0	40	KFAB	
CCOc1ccc(N(CCCC(=O)N(Cc2cccc(OC)c2)[C@@H](C)C(=O)NC)S(C)(=O)=O)cc1	222819777	GBPPRUHBBQVTRC-IBGZPJMESA-N	505.637	2.803	0	40	KFAB	
C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	223739356	HQCPJEUGQYSHEG-SFHVURJKSA-N	501.605	2.657	0	40	KFAB	
O=C(NC[C@H]1COc2ccccc2O1)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1	225264900	AVQVPOHJCNOPAT-IBGZPJMESA-N	509.422	2.947	0	40	KFAB	
O=C(Nc1ccc(F)c(F)c1)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	227531444	UUVSCGQTZIPJBV-JOCHJYFZSA-N	521.567	2.667	0	40	KFAB	
CCOC(=O)CCC(=O)O[C@@H]1[C@@H](N(C)C)C[C@@H](C)O[C@@H]1O[C@@H]1[C@@H](C)[C@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[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@@]1(C)O	253387647	NSYZCCDSJNWWJL-BGJCOPGPSA-N	862.064	2.680	0	40	KFAB	
COc1ccc(OC)c(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c1	260893754	MKTFMYOKJLTBFE-GOSISDBHSA-N	523.627	2.798	0	40	KFAB	
COC(=O)c1ccccc1NC(=O)Cn1c(=O)n(CCCC(=O)NCCc2ccc(OC)c(OC)c2)c(=O)c2ccccc21	8593476	QJKNSKJUTWRILY-UHFFFAOYSA-N	602.644	2.745	0	40	KFAB	
O=C(CS(=O)(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12)Nc1cccc(C(F)(F)F)c1	9519765	PKJQEFJXXHCEAL-UHFFFAOYSA-N	509.506	2.931	0	40	KFAB	
COc1ccc(/C=C/C(=O)NCc2nnc(SCC(=O)Nc3ccc(C(=O)O)cc3)n2C)cc1OC	10041573	KACHMHGKWZFCPX-VZUCSPMQSA-N	511.560	2.591	0	40	KFAB	
Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(O)cc2)c1	12473923	HWMVWOPGMJSTNB-NQIIRXRSSA-N	509.588	2.522	0	40	KFAB	
Cc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(c3cccc(Cl)c3)CC2)cc1Cl	19820868	ZZMSBNCKZHXARW-JOCHJYFZSA-N	518.445	2.780	0	40	KFAB	
CCN(C(=O)COC(=O)CCCOc1ccc(Cl)cc1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	32666478	BCSJOQULVLFANG-UHFFFAOYSA-N	528.993	2.884	0	40	KFAB	
COc1ccc(N(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(=O)(=O)c2cc(C)ccc2OC)cc1	59838025	PADUARNBUUQXAM-UHFFFAOYSA-N	603.719	2.545	0	40	KFAB	
CCOC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)N(CCOC)CCOC)cc2)c(C(=O)OCC)c1C	100564116	KUAKALSVZSNSPX-UHFFFAOYSA-N	556.659	2.946	0	40	KFAB	
COc1ccccc1NC(=O)CCNS(=O)(=O)c1ccc(OC)c(N(C)S(=O)(=O)c2ccccc2)c1	102415914	REANMGOPAGTBBF-UHFFFAOYSA-N	533.628	2.836	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223543040	BMOWWBKKAFJSPN-HXUWFJFHSA-N	517.648	2.600	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	223713179	HAFCYMPIKUJQGA-QGZVFWFLSA-N	524.039	2.821	0	40	KFAB	
Cc1ccc(Cl)cc1N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)S(C)(=O)=O	224367543	QHYRLBONTWEWLV-UHFFFAOYSA-N	544.095	2.784	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O	225460479	CAZBPHCIFFNLJF-MRXNPFEDSA-N	554.463	2.887	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(=O)O)cc3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	408833388	UVATUUFMGADFOB-ZRELAVNMSA-N	508.552	2.514	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	408923599	GRMIYFDGOQREPO-RWTNITNYSA-N	554.621	2.841	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409029468	AEJGSLGPYUWHQT-ARLGEPFESA-N	566.632	2.757	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC	409160606	UTTVXYNGLAZGCM-FSFYKJEYSA-N	642.130	2.707	0	40	KFAB	
CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)ccc1OCC(=O)N1CCOCC1	409206087	VBSFMOVJMPPZGZ-OYKKKHCWSA-N	583.619	2.769	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OC)c(OCCn3ccnc3C)c2)C[C@](O)(COc2cc(F)cc(F)c2)C1	585275120	XMGRITXQSUVOAB-GDLZYMKVSA-N	574.625	2.658	0	40	KFAB	
O=C(C[C@]1(COc2ccc(F)cc2)CN(C(=O)CCOc2cccc(F)c2)CCO1)N1CCOCC1	585284949	MILDGRSNRPUOFA-AREMUKBSSA-N	504.530	2.659	0	40	KFAB	
CCOc1cc(C(=S)N2C[C@H](C)O[C@H](C)C2)cc(I)c1OCC(=O)N1CCOCC1	1105247	KOKUVJCXMMXQAC-GASCZTMLSA-N	548.443	2.712	0	40	KFAB	
O=C([C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc2c(c1)OCCO2)N1CCN(Cc2ccccc2)CC1	3259071	ZINICTBKMQJZOD-AREMUKBSSA-N	533.650	2.918	0	40	KFAB	
COC(=O)c1cc(NC(=O)C[C@@H]2C(=O)N[C@H]3CCCC[C@H]3N2C(=O)c2ccc(F)cc2)cc(C(=O)OC)c1	14730289	WOVLFEMBJYTGKW-BHDDXSALSA-N	525.533	2.680	0	40	KFAB	
COc1ccccc1N1CCN([C@H](c2cc3ccc(C)cc3[nH]c2=O)c2nnnn2C[C@@H]2CCCO2)CC1	19940598	AWCTZHRCAKAFSY-HFZDXXHNSA-N	515.618	2.922	0	40	KFAB	
COCCn1nnnc1[C@@H](c1cc2ccc(C)cc2[nH]c1=O)N1CCN(c2nc3ccccc3s2)CC1	20082542	UMAKLXAAEABDPZ-HSZRJFAPSA-N	516.631	2.991	0	40	KFAB	
O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1	60060403	KQSVRDUQRRLACE-UHFFFAOYSA-N	586.530	2.651	0	40	KFAB	
O=C(OC[C@@H]1O[C@H](n2cc(F)c(=O)[nH]c2=O)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1	79418568	JJFICUPIRKNFIU-IGRGDXOOSA-N	574.517	2.881	0	40	KFAB	biogenic
CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	222927145	GORDZZHDXSNZGW-OAQYLSRUSA-N	503.621	2.556	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1	223022136	USQKXWVRZILXQC-QGZVFWFLSA-N	510.454	2.931	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1	225738307	FLGPASUHCXMURG-UHFFFAOYSA-N	578.757	2.686	0	40	KFAB	
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@@]2(C)C[C@@H](C)[C@@]3(O[C@@]1(C)[C@H](O)[C@H]3C)O2	256335245	YKAVHPRGGAUFDN-JTQLBUQXSA-N	715.922	2.989	0	40	KFAB	biogenic,in-vitro
CC(=O)N1CCC(C(=O)N2CCC[C@@](COc3cccc(Cl)c3)(CC(=O)N3CCOCC3)C2)CC1	257289861	QAMVUYLIWDIWLT-AREMUKBSSA-N	506.043	2.835	0	40	KFAB	
Cc1ccc(C)c(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)C)S(=O)(=O)N(C)C)c1	260740554	MOGMAEVYZFNZSN-HXUWFJFHSA-N	506.644	2.997	0	40	KFAB	
CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cc(OC)c(OC)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1	408983797	CPWBUJQQWJDHRV-XQAWFANUSA-N	596.658	2.766	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/[C@@H]3C(=O)N(c4ccccc4)N=C3C)c(=O)n2[C@@H]1c1ccc(OC)cc1	409018962	ZOFUFTCAQSRFRP-ZNOFGSDDSA-N	530.606	2.798	0	40	KFAB	
COCC(=O)N1CCN(Cc2cccc(OCCn3ccnc3C)c2)C[C@](O)(COc2ccc(F)c(F)c2)C1	585274247	HSVSNRCYRRQRDB-MUUNZHRXSA-N	544.599	2.649	0	40	KFAB	
CCc1nccn1CC(=O)N1CCCCNC(=O)c2cc(Cl)ccc2OC[C@@H](C(C)C)NC(=O)C1	643559156	OFVNQLPFCQKXBP-FQEVSTJZSA-N	504.031	2.671	0	40	KFAB	
COc1ccc(CNC(=O)[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C(C)C)cc1OC	13557510	QMTFEQOPIVHAHB-VWLOTQADSA-N	531.675	2.870	0	40	KFAB	
COc1ccccc1[C@@H]1CN2C(=O)CN(CCCN3CCOCC3)C(=O)[C@]2(C)c2[nH]c3ccccc3c21	20611561	TWSDZFRMIJZFFZ-ZTOMLWHTSA-N	502.615	2.930	0	40	KFAB	biogenic
O=C(c1ccc(N2C(=O)c3ccccc3C2=O)cc1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1	33000451	DFUHKPQADWKTDK-UHFFFAOYSA-N	511.506	2.912	0	40	KFAB	
COc1ccc(Cl)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1	59838414	PPZIEEFMADNADS-JOCHJYFZSA-N	566.101	2.805	0	40	KFAB	
CC(=O)O[C@H]1C[C@H]2[C@@H](C)C(=O)[C@@]3([C@@H]1[C@@]14CCC[C@@](C)(CO[C@H]1OC(C)=O)[C@H]4C[C@H]3OC(C)=O)[C@@H]2OC(C)=O	68564909	WJHJRKXBNNQXFF-TVSULRAESA-N	534.602	2.739	0	40	KFAB	
O=C1c2ccccc2C(=O)N1N1C(=O)c2ccc(-c3ccc4c(c3)C(=O)N(N3C(=O)c5ccccc5C3=O)C4=O)cc2C1=O	98023321	FTYBLBFAJDLCKW-UHFFFAOYSA-N	582.484	2.968	0	40	KFAB	
O=S(=O)(NC1CCCC1)c1ccc(S(=O)(=O)N2CCC(c3nc(O)c4nnn(Cc5ccc(F)cc5)c4n3)CC2)cc1	100446143	CJWRNNDHVNDZER-UHFFFAOYSA-N	615.713	2.904	0	40	KFAB	
Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1	102859856	UKOGNVNJXSBEMH-UHFFFAOYSA-N	544.624	2.872	0	40	KFAB	
CC(C)NS(=O)(=O)c1ccc(OCC(=O)N2C[C@H](C(=O)NCc3ccccc3)Oc3ccccc32)cc1	222632341	MAYZFMSVUNATRP-RUZDIDTESA-N	523.611	2.863	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1F)S(C)(=O)=O	223003560	IUWYZAIOQTWVIY-OAHLLOKOSA-N	514.417	2.908	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	223024031	IVHZZJLJGKLCBW-LJQANCHMSA-N	503.621	2.823	0	40	KFAB	
CC[C@H](NC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1	223091032	BJKLEOYVSUAVPV-FQEVSTJZSA-N	510.634	2.675	0	40	KFAB	
CS(=O)(=O)N(Cc1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1)c1ccccc1F	224488965	CTVPAAFMHZYXLK-UHFFFAOYSA-N	591.683	2.622	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O	225453326	JKCGLKGEFMXYOI-KRWDZBQOSA-N	510.454	2.995	0	40	KFAB	
CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)Nc1ccccc1	242701489	WFUSENHCPDYHMT-KCHLEUMXSA-N	599.736	2.555	0	40	KFAB	
CCOC(=O)[C@H]1[C@H](c2ccccc2Cl)[C@@H](C(=O)OCC)[C@](O)(C(F)(F)F)N[C@]1(O)C(F)(F)F	248341445	YZHONTVWWQWASA-VOGVJGKGSA-N	507.811	2.887	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C)c1	260863453	CBPLIPBWNPXKLE-LJQANCHMSA-N	535.663	2.668	0	40	KFAB	
COC(=O)COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)cc1	409145087	MGNROFBVARAXLM-STZFKDTASA-N	511.556	2.750	0	40	KFAB	
Cc1cc(OC[C@]2(CC(=O)N3CCN(C)CC3)CN(C(=O)COc3cccc(N(C)C)c3)CCO2)ccc1Cl	585284841	JSOVXYIDCGHTAM-LJAQVGFWSA-N	559.107	2.934	0	40	KFAB	
COCC(=O)N1CCCN(C)CCN(C(=O)COc2ccccc2-c2nc(C)no2)Cc2ccccc21	643555290	YTCPLFDGISMESH-UHFFFAOYSA-N	507.591	2.768	0	40	KFAB	
Cc1c(Cl)ccc2c1NC(=O)[C@@]21N[C@@H](CCC(N)=O)[C@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@H]21	2338516	PAXDIXLXGGVJMI-XQNUDUSMSA-N	531.794	2.601	0	40	KFAB	
Cc1cc(=O)oc2cc(OCC(=O)OCC(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)ccc12	3309282	FFUDAIPNEXLPLX-UHFFFAOYSA-N	514.556	2.837	0	40	KFAB	
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nc(-c4cccnc4)cs3)cc2)CC1	9404805	ILMSCLBLUYVRAI-UHFFFAOYSA-N	501.590	2.920	0	40	KFAB	
NC(=O)c1cc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CCCO2)cc(C(N)=O)c1	13165107	ZNEWLRWFIKFRLK-SFHVURJKSA-N	514.995	2.706	0	40	KFAB	
O=C1[C@H]2[C@@H](C(=O)N1C[C@H]1CCCO1)[C@H](Cc1c[nH]c3ccccc13)N[C@@]21C(=O)Nc2ccc(Cl)cc21	20567759	DRZILLRKJDQDCB-FBTAJULRSA-N	504.974	2.963	0	40	KFAB	
CS(=O)(=O)N(CC(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1)Cc1ccc(Cl)c(Cl)c1	59838090	OEEGNNYJRLBLAV-UHFFFAOYSA-N	534.487	2.856	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(CNC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)cc1	59838215	BGYPVOHLVLBTJN-HSZRJFAPSA-N	536.075	2.796	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	223460443	FIUPBWLQESSHFJ-IBGZPJMESA-N	522.643	2.781	0	40	KFAB	
CC[C@H](C(=O)Nc1nnc(SCC(=O)OC)s1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O	223694579	NUHRFWGVPXGEML-GFCCVEGCSA-N	509.031	2.649	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN(Cc1ccc(C)cc1)S(C)(=O)=O	223978902	OFCJXGUOHPDKBU-UHFFFAOYSA-N	509.650	2.579	0	40	KFAB	
Cc1cccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)c1C	224655580	NEFPFSLUCXFAMR-UHFFFAOYSA-N	509.650	2.509	0	40	KFAB	
CC(C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	224700721	XZILFVMNKGJXDB-MRXNPFEDSA-N	536.448	2.926	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(C)(=O)=O	226063575	RTBRHDUMIYKKQS-UHFFFAOYSA-N	508.449	2.952	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCc3ccc(S(=O)(=O)N4CCCC4)cc3)C2)cc1	260718001	QKZHWOHRIXNDEH-QFIPXVFZSA-N	549.715	2.629	0	40	KFAB	
CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3ccc(I)o3)c2=O)=N1	409046905	SGAVGBCAIZGRIX-RXBGNRNISA-N	520.348	2.996	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3/C(=O)N(C(C)C)c4ccccc43)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	409139786	FBDAXIGTZXBPKX-ZHHPLPSFSA-N	531.590	2.652	0	40	KFAB	
CS(=O)(=O)N1CCN(Cc2cccnc2)C[C@H](C(=O)N2CCC3(CCCCCc4ccccc4OCCNC3=O)CC2)C1	643559279	APNBZZICTJEGKS-NDEPHWFRSA-N	611.809	2.696	0	40	KFAB	
COc1cc(C)ccc1OCCNC(=O)[C@@H]1CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)CCOc2ccccc2C(=O)N1	643579984	HWFDOGSXSZGCCG-SVBPBHIXSA-N	616.715	2.656	0	40	KFAB	
CN1CCOc2ccccc2C(=O)N[C@H](C(=O)N(C)CCOc2ccccc2)CCC(=O)N[C@@H](Cc2ccccc2)C1=O	643580632	QJBLKHMPKLDOLE-NSOVKSMOSA-N	586.689	2.681	0	40	KFAB	
CCOC(=O)[C@](NC(=O)c1ccc(OC)cc1)(Nc1ccc(S(=O)(=O)Nc2ccc(OC)nn2)cc1)C(F)(F)F	3991798	QHUDNZATCNTIOL-HSZRJFAPSA-N	583.545	2.958	0	40	KFAB	
CCCCOC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@]12C(=O)N(CC(=O)OC)c1ccccc12	9291637	WCNSDFYYPNPUIS-MHZLTWQESA-N	504.495	2.505	0	40	KFAB	
COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4ccccc4OC)CC3)cc2c1	19940666	NIBCWZFHTOKMQF-HFZDXXHNSA-N	531.617	2.622	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O	20042306	BENPOKSRCHDPTI-UHFFFAOYSA-N	513.613	2.804	0	40	KFAB	
COc1ccccc1[C@@H](CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)N1CCCC1	32983097	JKDSZDNGMAXPQU-JOCHJYFZSA-N	508.040	2.936	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(CNC(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc2Cl)cc1	59852158	QUTYXHBWVFNXDB-UHFFFAOYSA-N	530.068	2.506	0	40	KFAB	
O=C1N[C@@]2(CCS(=O)(=O)c3ccc(F)cc32)C(=O)N1CC(=O)N1N=C(/C=C/c2ccco2)C[C@@H]1c1ccco1	97981156	LCLFAAANLAQTQA-QQQJFKNUSA-N	552.540	2.979	0	40	KFAB	
CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(=O)c(-c4cscn4)c(C)oc3c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	170623042	QLPBVUOEXHYSIY-NEPFPANBSA-N	589.575	2.687	0	40	KFAB	
COc1ccc(N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c(OC)c1	223107852	NDQDSUIZUGARKO-IBGZPJMESA-N	519.664	2.844	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)[C@H](C)C(=O)NC(C)C)cc1	260730524	JOZZXALBVHEEPB-OAQYLSRUSA-N	518.680	2.867	0	40	KFAB	
CCN1C(=O)/C(=c2\sc3n(c2=O)[C@H](c2cc(OC)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)c2ccccc21	409143709	HDVHQLBYPTXPHA-QQYUXEJHSA-N	547.633	2.941	0	40	KFAB	
CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc(Cl)c1OCC(=O)OC	409230189	CGWLBNNLIDIBIB-LICLKQGHSA-N	517.922	2.831	0	40	KFAB	
O=C(CN1CCCCCOc2ccccc2N(CC(=O)NCCCCCO)c2cncc(c2)C1=O)NCCCCCO	643584487	BMFWKNMJOKYPAY-UHFFFAOYSA-N	583.730	2.782	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)o3)c(=O)n2[C@@H]1c1ccccc1Cl	669400	QBQKMBMFARMZOR-PZNLSKEWSA-N	514.003	2.881	0	40	KFAB	
Cc1ccc(C(=O)N2CCN(C(=O)[C@H](NC(=O)c3ccccc3)S(=O)(=O)c3ccccc3)CC2)cc1	9764206	YHEKKFHGBDMSAA-RUZDIDTESA-N	505.596	2.509	0	40	KFAB	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1	16606986	SNCWOVSTPBCGDM-VNSJDZJPSA-N	507.612	2.961	0	40	KFAB	
COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1	20038109	FDVUUKXUBUQYSV-UHFFFAOYSA-N	527.640	2.702	0	40	KFAB	
CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)S(C)(=O)=O	30752084	AMKLHLDWJAEDQC-UHFFFAOYSA-N	504.590	2.686	0	40	KFAB	
COc1cc(C(=O)O[C@@H](C)CN2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC	31484061	TWZWYGOBLUMNKN-KRWDZBQOSA-N	532.590	2.742	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)Cc2ccccc2)cc1C	59838079	FNUUSYTZIQYTLL-UHFFFAOYSA-N	601.747	2.922	0	40	KFAB	
Cc1c(CC(=O)N[C@H](CCCNC(N)=O)C(=O)NCCCC(=O)O)c(=O)oc2cc3occ(-c4ccccc4)c3cc12	70705096	JNXFIUIQMRTOEE-HSZRJFAPSA-N	576.606	2.971	0	40	KFAB	biogenic
CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	222748796	BAYUREULSUFSMU-AWEZNQCLSA-N	532.446	2.940	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O	225392573	DSFZNVFOYMWTAP-RTBURBONSA-N	505.637	2.802	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O	225399547	JHZLDLLUGOUVMJ-RTBURBONSA-N	517.648	2.996	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225467930	UOHYXQLEDYWTCJ-KRWDZBQOSA-N	568.490	2.930	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)o3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409049913	RIIKUYAMTKEXNW-NIQJEMAJSA-N	540.594	2.650	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OC)c(OCCCn3cccn3)c2)C[C@@](O)(COc2ccc(C)cc2)C1	585280696	RJSZOMLEJICDPX-PMERELPUSA-N	552.672	2.770	0	40	KFAB	
O=C1NC2(CCOc3cc(-c4cccnc4)ccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(CC1CCCC1)CC2	1548891031	VTLYQXLGFCOREF-RPBOFIJWSA-N	554.713	2.796	0	40	KFAB	
O=C(COC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)Nc1nc(-c2ccc(F)cc2)cs1	3273731	VDPFYHAZTHUNOW-UHFFFAOYSA-N	523.539	2.905	0	40	KFAB	
Cc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1C	20802900	PHZGJLHNLSJWEV-QHCPKHFHSA-N	531.579	2.800	0	40	KFAB	
CCN(C(=O)CSc1nnc(C)n1-c1ccc(C)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	32941791	COABFHVBUVFQFS-UHFFFAOYSA-N	505.604	2.510	0	40	KFAB	
COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)C1	59838649	ZAYXMVVXQLTNDA-OAQYLSRUSA-N	535.688	2.505	0	40	KFAB	
COCCn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1[C@@H]1CCCN(S(C)(=O)=O)C1	97945591	WFVOFTJGVABHHZ-CQSZACIVSA-N	532.486	2.557	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@H](C(=O)NC3CCCC3)c3ccc(F)cc3)n2)cc1OC	100276361	RJDDCTUAZROAGG-LJAQVGFWSA-N	609.703	2.847	0	40	KFAB	
COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	105777132	GVGGHTKMSBXJLX-UHFFFAOYSA-N	589.692	2.867	0	40	KFAB	
COc1cc(OC)cc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3cc(Cl)ccc3Cl)CC2=O)c1	139042234	JYXVQAWHKQVRJD-CYBMUJFWSA-N	510.330	2.686	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O	223025016	HPSNULJJUSKKSX-INIZCTEOSA-N	536.448	2.927	0	40	KFAB	
COCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	223438103	NXIRNSROEFHUHY-LJAQVGFWSA-N	599.681	2.758	0	40	KFAB	
CCc1ccccc1N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccc(C)cc1	224438661	KGKQJRSQWMBFOS-UHFFFAOYSA-N	601.747	2.969	0	40	KFAB	
CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	225275973	VFBFPAMOLBQOEG-NRFANRHFSA-N	510.607	2.911	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1ccc(C)cc1)[C@@H](C)C(=O)NC(C)C)c1ccc2c(c1)OCO2	225528563	NIKJKDOLNZPNJJ-IBGZPJMESA-N	503.621	2.822	0	40	KFAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCC(=O)O)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	409101758	XUSRVNRINLTVSX-QTQKINJDSA-N	565.648	2.584	0	40	KFAB	
O=C(NCc1ccco1)c1ccccc1NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	409135865	WFOYIIKKUDLWPZ-HHHXNRCGSA-N	608.698	2.912	0	40	KFAB	
CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)ccc1OCC(=O)N1CCOCC1	409205915	QWZZPOSLHQYFDE-XYGWBWBKSA-N	565.648	2.944	0	40	KFAB	
COc1ccccc1OCC(=O)N1CCO[C@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CCOCC2)C1	585284771	IPHYEEICBDOQEF-HHHXNRCGSA-N	533.021	2.961	0	40	KFAB	
COC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)sc2cc(F)ccc21	9726771	OGKDMDLUABOJTC-QIRTUCFOSA-N	521.592	2.554	0	40	KFAB	
CC(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CCN(c2c(Cc3ccccc3)c(C)nc3ncnn23)CC1	13565567	OAQZOCOMSSMMCO-SANMLTNESA-N	511.630	2.856	0	40	KFAB	
CCN(CC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)S(=O)(=O)c1cc(C)ccc1OC	20031111	MSKSCUUQTHRXAA-UHFFFAOYSA-N	523.677	2.505	0	40	KFAB	
CC(=O)c1cccc(N2C(=O)[C@H]3[C@@H](C(=O)Nc4cc(C)on4)[C@]4(C)C=C[C@]3(O4)[C@H]2C(=O)NC(C)(C)C)c1	33939917	IIOSDNZJVAGURR-WTSORHKRSA-N	506.559	2.784	0	40	KFAB	
CC(C)[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N12)C(=O)N1CCC[C@H]1C(=O)O	70701431	VWUWNUTZUMIYFS-LCXINAFSSA-N	514.582	2.854	0	40	KFAB	biogenic
COC(=O)c1cc(NC(=O)c2ccc(C(=O)Nc3cc(C(=O)OC)cc(C(=O)OC)c3)nc2)cc(C(=O)OC)c1	97948023	UFVQXYCRQJNINH-UHFFFAOYSA-N	549.492	2.733	0	40	KFAB	
COC(=O)COc1c(I)cc(/C=c2\sc3nc4ccccc4n3c2=O)cc1OC	165539712	ARYZLEMZUVOTLO-SXGWCWSVSA-N	522.320	2.622	0	40	KFAB	
O=C(O)CN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@H]4Sc5[nH]c(=O)sc5[C@H](c5ccc(Br)cc5)[C@H]34)[C@@H]2C1=O	169708721	BKXAIHBEWJHDDZ-UGMYVOLWSA-N	521.414	2.757	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1	216239091	ZFTQZBBJQSZMGF-UHFFFAOYSA-N	572.105	2.550	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	223531235	KCXSZQSFLWJXBB-HXUWFJFHSA-N	519.664	2.846	0	40	KFAB	
CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](O[C@@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@H]([C@]6(C)CC[C@H](C(C)(C)O)O6)[C@@H](O)C[C@@]3(C)[C@@H]5C[C@H](O[C@H]3OC[C@H](O)[C@H](O)[C@@H]3O)[C@H]4C2(C)C)OC[C@H]1O	253506374	TZHGYWCJIXHMJK-NYOAJIQPSA-N	839.029	2.505	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)[C@H](C)C(=O)NC2CCCC2)c1	260823888	XKJVBMXGJBBGLF-HXUWFJFHSA-N	516.664	2.784	0	40	KFAB	
CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1ccccc1Br	408622784	REDHCDOAJJXVGO-HNNXBMFYSA-N	510.410	2.763	0	40	KFAB	
Cc1ccc(CS(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)cc1	408677328	BTNPAPOWRFPFOZ-UHFFFAOYSA-N	505.662	2.960	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3/C(=O)N(C(C)C)c4ccccc43)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	409139778	FBDAXIGTZXBPKX-AYWGPLOBSA-N	531.590	2.652	0	40	KFAB	
CCOc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)ccc1OCC(=O)N1CCOCC1	409159201	VGRUXNFDQVEVEH-ZRYJBNJPSA-N	648.782	2.749	0	40	KFAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cn(CC(=O)N4CCOCC4)c4ccccc34)c(=O)n2[C@H]1c1ccccc1OC	409163736	XCCVZHUJQXQQMD-POKSHJSXSA-N	627.767	2.926	0	40	KFAB	
CCN1CCOc2ccccc2CCCC[C@@]2(CN(C(=O)Cn3c(=O)oc4ccccc43)CCO2)C1=O	643555667	AEKSHQGAXJKEHL-MUUNZHRXSA-N	507.587	2.846	0	40	KFAB	
Cc1ccc(OCCNC(=O)[C@@H]2CCC(=O)N[C@@H](CC(C)C)C(=O)N(C)CCOc3ccccc3C(=O)N2)c(C)c1	643579969	HSDIJEGQAWRFCF-DQEYMECFSA-N	566.699	2.759	0	40	KFAB	
O=C(CN1CC[C@@H]2NC(=O)[C@H](Cc3ccccc3)NC(=O)C3(CC=CC[C@@H]2C1)CCOCC3)NCCOc1ccccc1	1615126204	JVZYBQUMZXFXJM-GGCFSWKVSA-N	588.749	2.863	0	40	KFAB	
CCCN1C(=O)/C(=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OC)=C(C)N=3)c2ccccc21	2071020	YRBMUXKFQGIQSK-VFJWVMJUSA-N	503.580	2.544	0	40	KFAB	
CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2c3c(nn2-c2ccc(OC)cc2)C[S@](=O)C3)cc1	6184128	DBWBDWXUGGEIBL-XIFFEERXSA-N	502.618	2.926	0	40	KFAB	
CCOC(=O)CNC(=O)[C@H](c1cccs1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(C)cc(C)c1	6547169	GDIWQGRYPJDRLR-IBGZPJMESA-N	515.617	2.570	0	40	KFAB	
O=C(CCCCn1c(=O)c2ccccc2n(CC(=O)NCc2ccco2)c1=O)NCCc1ccccc1	9617117	FHDFLBRUPOHHOZ-UHFFFAOYSA-N	502.571	2.602	0	40	KFAB	
COc1ccc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(C4CCCCC4)CC3)c(=O)[nH]c2c1	20080214	SLUWIEWNJCDESY-RDGATRHJSA-N	507.639	2.742	0	40	KFAB	
Cc1cc(C)c2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2c1	22869865	NWOQGZKNKVUCJQ-SKCUWOTOSA-N	557.655	2.946	0	40	KFAB	
CCCCn1c(N)c(N(CCOC)C(=O)c2ccc3c(c2)C(=O)N(c2cc(C)ccc2C)C3=O)c(=O)[nH]c1=O	38139842	WMOGOFYPECFRKZ-UHFFFAOYSA-N	533.585	2.630	0	40	KFAB	
COc1cc([C@@H](Nc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)C(=O)NC[C@H]2CCCO2)cc(OC)c1OC	100353836	LAZTWJYUGPHMKS-TYBLODHISA-N	563.673	2.618	0	40	KFAB	
O=C1C[C@H](N(O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C(=O)N1c1ccc(Br)cc1	101030735	PBHHHOHGJFUHIU-IYBDPMFKSA-N	537.164	2.867	0	40	KFAB	
CCn1c(=O)sc2cc(S(=O)(=O)NCCOc3ccc(S(=O)(=O)N4CCCCC4)cc3)ccc21	224426786	ZVJFCBKYQQULPZ-UHFFFAOYSA-N	525.674	2.615	0	40	KFAB	
CC[C@@]12C=CCN3CC[C@]4(c5cc([C@]6(C(=O)OC)C[C@H]7CN(CCc8c6[nH]c6ccccc86)C[C@@](O)(CC)C7)c(OC)cc5N(C)[C@@H]4[C@](O)(C(N)=O)[C@H]1O)[C@H]32	247964876	HHJUWIANJFBDHT-BQFRPDDESA-N	753.941	2.732	0	40	KFAB	
C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C(=O)O)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6O[C@H](C)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@@H]6O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]2[C@@H]1C	514287817	IIIOQVDDEWZCEQ-HOWSCZAWSA-N	794.976	2.830	0	40	KFAB	biogenic,in-vitro
Cn1cc(-c2ccc3c(c2)OCCC2(CCN(CC4CCCCC4)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2S3(=O)=O)cn1	1548888915	CKQYHUJSJSMYJY-RPBOFIJWSA-N	571.744	2.525	0	40	KFAB	
CC(C)C[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(N)=O	4574645	XBCBVEZYAJFLPS-QZNHQXDQSA-N	548.681	2.560	0	40	KFAB	
COCCNC(=O)[C@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(C(F)(F)F)c1	6905096	RNVJNAOOHCWSKY-SFHVURJKSA-N	537.520	2.699	0	40	KFAB	
CC(=O)O[C@H]1[C@@H](O)[C@@]2(C)[C@H]3CC[C@@H]4C(C)(C)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@@]23CO[C@@]2(C(C)(C)O)CC[C@](C)(O2)[C@@H]13	8382482	QSNYUAFLCYWOJS-YQGXCMNUSA-N	678.860	2.809	0	40	KFAB	biogenic,in-vitro
Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)Cc2ccc(Cl)cc2)cc1	20030640	CGWHZULADZTXPR-UHFFFAOYSA-N	522.048	2.803	0	40	KFAB	
Cc1ccc(-n2nnnc2SCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c(C)c1	32638831	DWZXXUIXYQCMPH-UHFFFAOYSA-N	523.040	2.684	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)OCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1C	36384033	KXTWDGUAPWJYOU-UPVQGACJSA-N	515.632	2.600	0	40	KFAB	
CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	222440069	FISNKHRHOKABDF-JOCHJYFZSA-N	517.648	2.864	0	40	KFAB	
C[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	224099911	FFEHUTCDNJGBTF-HXUWFJFHSA-N	518.655	2.957	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1	225748628	ANXOMMBONYFMMP-UHFFFAOYSA-N	575.690	2.942	0	40	KFAB	
COc1cc(/C=c2\sc3nc(-c4ccncc4)nn3c2=O)ccc1OCC(=O)Nc1ccc(F)cc1	256055563	LJEKKDSICKVMST-BKUYFWCQSA-N	503.515	2.926	0	40	KFAB	
CCc1ccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@H](C)C(=O)NC)S(C)(=O)=O)cc1	260769052	VTXVICDXXGXRQZ-MRXNPFEDSA-N	510.454	2.941	0	40	KFAB	
CC(C)CN(C[C@@H](OP(=O)(O)O)[C@H](Cc1ccccc1)O[C@H]1CCOC1)S(=O)(=O)c1ccc(NC(N)=O)cc1	299754560	QREIRWFMUGMXPY-OEMFJLHTSA-N	585.616	2.719	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccc(Br)cc43)c(=O)n2[C@@H]1c1ccccc1OC	409111058	BKQXZFNPLBNQOC-GOBJLOIFSA-N	554.422	2.892	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C)c4ccc(Br)cc43)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1	409112822	CCZQEWJUCUBXOE-KEPZKYLNSA-N	628.501	2.933	0	40	KFAB	
CN1CCN(CC(=O)N(CCO)Cc2ccccc2)CCOc2ccccc2Oc2ncccc2C1=O	643575941	SULUDMDSVMPIMO-UHFFFAOYSA-N	504.587	2.661	0	40	KFAB	
CCCCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCc2ccc(C(=O)NC3(CO)CCOCC3)cc2)CC(=O)N[C@@H](Cc2ccccc2)C1=O	643585316	YDMJGPZUUSOYLU-LQJZCPKCSA-N	727.859	2.511	0	40	KFAB	
CCCOc1c(OC)cccc1[C@@H]1C(C(=O)OC)=C(C)N=c2s/c(=C\c3ccc4c(c3)OCO4)c(=O)n21	2177366	ARAROTWWAYNAHU-QCHPHUCNSA-N	522.579	2.934	0	40	KFAB	
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)/N=c3\sc4cccc(OCC)c4n3C)cc2)CC1	2723332	IDJJPQAZFJSABV-BZZOAKBMSA-N	532.644	2.842	0	40	KFAB	
COc1ccc(N(CC(=O)N[C@@H]2CCS(=O)(=O)C2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1	3433862	PPSTVTNLPOKTGV-CYBMUJFWSA-N	507.417	2.501	0	40	KFAB	
CC(C)C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@H](CCC(=O)OCc1ccccc1)C(N)=O	4574646	XBCBVEZYAJFLPS-FUPPJEDESA-N	548.681	2.560	0	40	KFAB	aggregator
CC(=O)N[C@H](Cc1ccccc1F)C(=O)NC1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1	13565630	RQBRVPASZXZEGH-HXUWFJFHSA-N	515.529	2.861	0	40	KFAB	
Cc1c(Cl)ccc2c1NC(=O)[C@@]21N[C@H](CCC(N)=O)[C@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]21	16010394	OPQHQZAYMBZLGC-SAQZZPNQSA-N	505.333	2.631	0	40	KFAB	
O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	16490288	AEIGYNVBXPHWFV-UHFFFAOYSA-N	509.584	2.939	0	40	KFAB	
COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1	59838891	HTLUQMSVTWXMGI-FQEVSTJZSA-N	553.678	2.726	0	40	KFAB	
O=C(Cn1c(=O)n(CC(=O)NC2CCCC2)c(=O)c2oc3ccccc3c21)NCc1ccccc1Cl	72331997	IJQSGLNVPXSPBD-UHFFFAOYSA-N	508.962	2.938	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)n(C)c(=O)n4C)c(=O)n2[C@@H]1c1ccc(SC)cc1	103903966	PHIMDNNJHKNYHI-XOYGFPHKSA-N	534.663	2.711	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	222759959	PYVXMSJYEKSJAP-CQSZACIVSA-N	530.430	2.694	0	40	KFAB	
Cc1cc(C)cc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)S(=O)(=O)c2ccccc2)c1	224202274	IPCXYBAFGBUQPM-UHFFFAOYSA-N	545.683	2.944	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	224994233	SNJAURUCWLFHEG-RBUKOAKNSA-N	503.621	2.556	0	40	KFAB	
COc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(N4C(=O)CCC4=O)cc3)cc2)c(OC)c1	225081510	WTPFYDVHUMRBOE-UHFFFAOYSA-N	545.595	2.959	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C)c1	260865874	CTMZIJUZIJRPLL-HXUWFJFHSA-N	519.664	2.968	0	40	KFAB	
CC(=O)NCCN(C)C1=C[C@@H]2Oc3cc(N(C)CCNC(C)=O)ccc3[C@]3(OC(=O)c4ccccc43)[C@@H]2C=C1	306121290	DZABLMRNITYWGN-JUFIIOIISA-N	530.625	2.572	0	40	KFAB	in-vitro
COc1cccc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)c1	409378416	PFXJZQULSLEVRG-WTBHFOSASA-N	511.527	2.844	0	40	KFAB	
COc1ccc2[nH]cc(CCC(=O)N3CCC4(CCCCn5cc(nn5)COCCNC4=O)CC3)c2c1	643563852	BRTOISKLPCCDDR-UHFFFAOYSA-N	508.623	2.826	0	40	KFAB	
Cn1cc(-c2ccc3c(c2)OCCC2(CCN(Cc4cc(-c5ccccc5)no4)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2S3(=O)=O)cn1	1548891231	YXCRCJOBGKAJMM-NAKRPHOHSA-N	632.743	2.800	0	40	KFAB	
COc1ccc(C[C@H](NC(=O)CC(C)(C)N)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)cc1	3920420	KQXVERRYBYGQJZ-WRPDIKACSA-N	656.869	2.524	0	40	KFAB	in-man
COc1cc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4ccccc4F)CC3)c(=O)[nH]c2cc1OC	6136449	ZIFLGQHDDQUOTN-SIBVEZHUSA-N	549.607	2.762	0	40	KFAB	
O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1Cc1ccccc1)N1CCN(c2ccc(O)cc2)CC1)OCO3	6446399	AYWSGTABKOUKLC-MHZLTWQESA-N	537.580	2.909	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OC)cc3OC)c(=O)n2[C@@H]1c1ccc(OC)cc1	8451812	BSFLXMOSBHQCQQ-LYRGBEMXSA-N	524.595	2.833	0	40	KFAB	
O=C(COC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)NC(=O)NCc1ccco1	16044235	VMSBMBPUSYOAIL-UHFFFAOYSA-N	518.375	2.556	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(CNC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(F)cc2)cc1	20030665	LNQQKYMPOUJQDN-UHFFFAOYSA-N	511.641	2.716	0	40	KFAB	
Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)S(C)(=O)=O)c(C)c1	22528468	CVXOLZXEEMWKPX-UHFFFAOYSA-N	517.633	2.916	0	40	KFAB	
CCOC(=O)[C@@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C\c3ccc(OC(F)F)c(OC)c3)c(=O)n12	35982205	PRFFIEARIFXACY-UQTAVLOISA-N	516.522	2.859	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)C2CCCCC2)cc1Cl	59837964	CPAXOZIBVDQXOL-UHFFFAOYSA-N	530.068	2.636	0	40	KFAB	
Cc1oc2cc3oc(=O)c(CCC(=O)N[C@@H](CC[S@](C)=O)C(=O)NCCCC(=O)O)c(C)c3cc2c1C	60045024	NZMHFDPVPCTNRZ-JTHIVGNPSA-N	532.615	2.631	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccccc43)c(=O)n2[C@@H]1c1ccccc1OC(C)C	96265823	YGJHNFUFHPZEBU-RKKARLDVSA-N	503.580	2.908	0	40	KFAB	
COc1ccc2ccccc2c1CC1(CN2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)C(=O)N(C)C(=S)N(C)C1=O	136693854	MJSDHWVSIRVBBF-TZIWHRDSSA-N	544.677	2.874	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	223002776	NKBJCGQZBLMEKF-MRXNPFEDSA-N	556.479	2.786	0	40	KFAB	
CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	223159874	KSILMHOKKNCIGO-HXUWFJFHSA-N	503.621	2.903	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O	223659458	NJXLYRSXKIIDOF-KRWDZBQOSA-N	557.454	2.919	0	40	KFAB	
C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223887039	FWPVQNXLNMJQQO-GOSISDBHSA-N	533.622	2.839	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O	225411393	WSHIGAJKPCAQHW-OALUTQOASA-N	515.632	2.952	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	261029237	WYZOQEXHVPZLFX-ROUUACIJSA-N	519.620	2.522	0	40	KFAB	
COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	409176874	ZTGQAABYHRKOCA-UHFFFAOYSA-N	635.717	2.576	0	40	KFAB	
Cc1cccc(OCCNC(=O)[C@@H]2CC(=O)N[C@H](Cc3ccccc3)C(=O)N(C)CCOc3ccccc3C(=O)N2)c1C	643578736	HDESCMHMEMMQET-RRPNLBNLSA-N	586.689	2.565	0	40	KFAB	
COc1ccc(N2C[C@@H](C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)CC2=O)c(OC)c1	13115859	XPLPIGIYKWQDHI-AWEZNQCLSA-N	502.574	2.953	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H]3C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)CC2)cc1	102871856	RXDKALHQDFBVKK-VWLOTQADSA-N	565.696	2.823	0	40	KFAB	
CCOC(=O)c1ccc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C[C@H]([C@H]3C2=O)[C@H]2Sc3[nH]c(=O)sc3C(C)(C)[C@H]42)cc1	222229415	CPTVKKABNVQKSK-YMGXSFKPSA-N	541.651	2.871	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	222470743	JCVPPUGUDYLESL-WMZHIEFXSA-N	547.674	2.955	0	40	KFAB	
CC(C)OCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(C)S(C)(=O)=O	223469995	GTYRJAWYNCNRCY-DEOSSOPVSA-N	507.628	2.718	0	40	KFAB	
CCc1ccc(N(CCCC(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)cc1	224336555	WSBODAQHGSRTSP-UHFFFAOYSA-N	537.704	2.775	0	40	KFAB	
COC(=O)[C@H]1CN(C(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)c2ccccc2O1	226013319	HYURCVZYLXTPQG-XMMPIXPASA-N	532.615	2.994	0	40	KFAB	
COc1cc2c(cc1CN1CCO[C@@](COc3ccc(Cl)cc3)(CC(=O)N3CCN(C)CC3)C1)OCO2	257218556	DDNYNNZVEHJARK-MHZLTWQESA-N	532.037	2.891	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C	261034374	XQCIYHGDWVOBNQ-UXHICEINSA-N	504.653	2.640	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1C	408533946	RNIMKFVPTPABNT-UHFFFAOYSA-N	517.629	2.523	0	40	KFAB	
CCOc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Br)cc3)C2)cc1	408658830	RNRAJWJPVUSBDO-HNNXBMFYSA-N	504.337	2.523	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)o3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409049909	RIIKUYAMTKEXNW-DNQIBQKISA-N	540.594	2.650	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OCCN3CCCC3)cc2)C[C@](O)(COc2ccc(C)cc2)C1	585278781	ADFAYVMTNPZEAJ-GDLZYMKVSA-N	511.663	2.570	0	40	KFAB	
NC(=O)c1cc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(OC(F)F)cc2)cc(C(N)=O)c1	3430968	IIBNLYDUYRRYPG-UHFFFAOYSA-N	539.520	2.916	0	40	KFAB	
CCOC(=O)C1CCN(C(=O)COC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)CC1	12497728	LTKZBWVYTKJMHE-UHFFFAOYSA-N	515.028	2.863	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)OCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1C	12521840	KXTWDGUAPWJYOU-LADGPHEKSA-N	515.632	2.600	0	40	KFAB	
NC(=O)c1c(NC(=O)CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)sc2c1CCCC2	35526385	BVFDWOCPEQQURP-UHFFFAOYSA-N	512.657	2.824	0	40	KFAB	
COCCN(C(=O)COC(=O)c1ccccc1Oc1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	38140452	XZVLEHPJMHVEDV-UHFFFAOYSA-N	544.564	2.796	0	40	KFAB	
COc1cccc(N2CCN(CC(=O)N3CCNC(=O)[C@@H]3CC(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)c1	59780912	LQNVIJVXJCMVOC-NDEPHWFRSA-N	557.651	2.965	0	40	KFAB	
C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@@H]5C(=O)O)C(C)C)CC[C@]4(C)[C@@H]3CC[C@@]21C	70699103	CISVREYUELBLRR-CUUXAECMSA-N	597.753	2.873	0	40	KFAB	
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CN(S(C)(=O)=O)c4cc(Cl)ccc4O3)cc2)n1	139715668	LERNZQQRTAPOAN-FQEVSTJZSA-N	552.034	2.713	0	40	KFAB	
C[C@@H](C(=O)NCCO)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1	222710040	LMMKBWQYCBTLQW-IBGZPJMESA-N	529.590	2.531	0	40	KFAB	
CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O	223210768	LNGXGMYRMIXZEY-IBGZPJMESA-N	514.417	2.908	0	40	KFAB	
CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	224196939	HXWDAVXFJXUROY-NRFANRHFSA-N	505.637	2.722	0	40	KFAB	
CC(C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	225545842	VTABSLFFCCVHQV-INIZCTEOSA-N	510.012	2.777	0	40	KFAB	
CN1CCN(C(=O)C[C@@]2(COc3ccccc3)CCCN(S(=O)(=O)c3ccc(F)cc3F)C2)CC1	257344532	ZXSCQCZANJBDAU-VWLOTQADSA-N	507.603	2.979	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2ccccc2OC)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCC2)c1	260765479	FIYLNTCQULJSFM-LJQANCHMSA-N	517.648	2.946	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C)c4ccc(Br)cc43)c(=O)n2[C@@H]1c1ccccc1	409119352	TYGPSPXOZKZXBY-GOBJLOIFSA-N	538.423	2.907	0	40	KFAB	
Cc1cc(OC[C@]2(CC(=O)N3CCOCC3)CN(C(=O)CCc3c(C)nn(C)c3C)CCO2)ccc1Cl	585283273	CVQHIQZOJHGNCP-MHZLTWQESA-N	533.069	2.857	0	40	KFAB	
COc1ccc(CCNC(=O)[C@@H]2CC(=O)NC3(CCCCC3)C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCCOc3ccccc3C(=O)N2)cc1	643576549	QQGYTCUNCYTADF-ACHIHNKUSA-N	697.833	2.988	0	40	KFAB	
CCOc1ccc(CCCNC(=O)[C@@H]2CC(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3COc3ccccc3C(=O)N2)cc1OC	643578310	PQHBISQSLGOWLM-JCAOREMYSA-N	608.736	2.856	0	40	KFAB	
CS(=O)(=O)Nc1ccnn1CCNC(=O)c1ccc2c(c1)CNCCCCCCCN2C(=O)c1ccncc1	643584860	VQNPXVUTUQVQDH-UHFFFAOYSA-N	553.689	2.780	0	40	KFAB	
COC(=O)c1ccc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)cc2)cc1	1080855	LUKDDARFPPJGRM-UHFFFAOYSA-N	527.990	2.653	0	40	KFAB	
O=C(OCC(=O)N1CCN(c2ccccc2)CC1)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1	2663087	FOZQMPULKARKHZ-UHFFFAOYSA-N	519.623	2.939	0	40	KFAB	
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)cc2)n1	3180333	FACUBADMUNACDJ-UHFFFAOYSA-N	535.673	2.995	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@@H](n2nc(/C=C\c3ccco3)c(=O)n(-c3ccccc3)c2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	5439802	PMQNGEUTJPILSW-WKJGRJHASA-N	627.628	2.782	0	40	KFAB	
CCCCCN(C(=O)CCC(=O)OCC(=O)Nc1ccc(C)cc1F)c1c(N)n(CCCC)c(=O)[nH]c1=O	12953547	VSCMBJPFANBAKS-UHFFFAOYSA-N	533.601	2.852	0	40	KFAB	
COc1ccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(C4CCCCC4)CC3)c(=O)[nH]c2c1	20080210	SLUWIEWNJCDESY-RCZVLFRGSA-N	507.639	2.742	0	40	KFAB	
COc1ccccc1CN(Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)Cc1nnnn1C[C@@H]1CCCO1	20109362	WJTRERCMILAVLR-NRFANRHFSA-N	520.590	2.922	0	40	KFAB	
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(Cl)cc3)CC2)N[C@@H]1c1ccc(O)c(OCC)c1	20674854	NHMXATDZIGWDPB-FCHUYYIVSA-N	500.983	2.973	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(S(=O)(=O)Nc4nccc(C)n4)cc3)C2)cc1	59852521	OFVRRYCTRMLWIY-GOSISDBHSA-N	545.643	2.634	0	40	KFAB	
O=C(OC[C@@H]1O[C@H](n2cc(F)c(=O)[nH]c2=O)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1	79418578	JJFICUPIRKNFIU-WSKLTFMVSA-N	574.517	2.881	0	40	KFAB	biogenic
COc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCN(S(=O)(=O)c4ccc(OC)cc4)CC3)c2)cc1	102993142	JQJVZMZNRWLEFL-UHFFFAOYSA-N	545.639	2.651	0	40	KFAB	
CCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(C(C)(C)C)cc3)C2)cc1	138592339	FJRRHYUHJISBSF-IBGZPJMESA-N	509.559	2.836	0	40	KFAB	
CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O	223434540	HHCULTUREOHPQC-IBGZPJMESA-N	526.453	2.777	0	40	KFAB	
COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)N(CCCC(=O)O)C(=O)[C@@H]54)[C@@H]23)cc1	248251844	PVTXWLUCAKHKQB-FTLBRRQFSA-N	500.598	2.783	0	40	KFAB	
CC1=C[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2C[C@H]1n1[nH]c(=O)n(Cc2ccccc2)c1=O	253592572	XIYJHAGDCOPHAY-SLFFLAALSA-N	509.360	2.846	0	40	KFAB	
COc1ccc2c(c1)OC(C)(C)[C@H]1C[C@@H]3CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)CC[C@@H]3O[C@H]21	257288874	PWAWDXCEMDXJLU-DJIOSBNXSA-N	517.623	2.930	0	40	KFAB	
COc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc(Br)c1OCc1ccc(C(=O)O)cc1	408593036	OHUFXWYYABPZTJ-VIZOYTHASA-N	505.277	2.712	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(C)c3C)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1	408864756	ZCIWPFRLBHDZAO-FJWZAKCXSA-N	525.627	2.779	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/[C@@H]3C(=O)N(c4ccccc4)N=C3C)c(=O)n2[C@H]1c1ccccc1OC	409017952	KGTKOUGVHMUTRG-IOPIHVHOSA-N	530.606	2.798	0	40	KFAB	
CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3cc(Cl)c(OCC(=O)O)c(OC)c3)c2=O)=N1	409039529	WVFWEYLMROCSKY-BHSBJAHRSA-N	542.997	2.924	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OCCCn3ccnc3C)cc2)C[C@](O)(COc2ccccc2)C1	585272211	HBWLGDVZPNOERK-GDLZYMKVSA-N	522.646	2.761	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OCCn3cc(C)cn3)c(OC)c2)C[C@](O)(COc2ccc(C)cc2)C1	585274588	LHOKAYVKNPZCPB-SSEXGKCCSA-N	552.672	2.688	0	40	KFAB	
COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)N4CCN(c5ccccc5OC)CC4)ccc3c2=O)cc1	4766461	QPXVSOOHLFBTFY-UHFFFAOYSA-N	500.555	2.718	0	40	KFAB	
CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2c3c(nn2-c2ccc(OC)cc2)C[S@@](=O)C3)cc1	6184126	DBWBDWXUGGEIBL-MGBGTMOVSA-N	502.618	2.926	0	40	KFAB	
Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(O)cc2)cc1C	12474012	HIENZCIGFSCHSB-SIKLNZKXSA-N	523.615	2.830	0	40	KFAB	
COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2)cc1	12711417	SCBSEJYVDIKSJJ-KNQAVFIVSA-N	523.615	2.825	0	40	KFAB	
CCN(CC(=O)NCc1cccs1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl	12854857	OMABDVJAOGSLCL-UHFFFAOYSA-N	520.460	2.854	0	40	KFAB	
O=C(C[C@H]1OC(=O)c2ccccc21)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F	13009775	WBWWJLNOHLVDCE-LJQANCHMSA-N	514.478	2.889	0	40	KFAB	
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1S(=O)(=O)N1CCCC1	13138343	KKENUGAZIYOUOM-UHFFFAOYSA-N	507.634	2.907	0	40	KFAB	
COc1cccc(CN2CCN([C@@H](c3cc4cc(C)ccc4[nH]c3=O)c3nnnn3C[C@H]3CCCO3)CC2)c1	19826246	LNFSFGDSHZOBHL-SQHAQQRYSA-N	529.645	2.918	0	40	KFAB	
CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4ccc(O)cc4)CC3)cc2c1	20080498	JZZJEMQSFYFYDG-OZXSUGGESA-N	531.617	2.710	0	40	KFAB	
CCCC[C@H]1C(=O)O[C@@H](C)[C@@H](NC(=O)c2cccc(NC=O)c2O)C(=O)O[C@@H](C)[C@@H]1OC(=O)CC(C)C	35191599	PVEVXUMVNWSNIG-LHHUOMPKSA-N	520.579	2.700	0	40	KFAB	
NC(=O)c1nsc(C(=O)N(Cc2ccccc2F)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)c1N	38145869	VOKHBGDMCZTOPF-LAUBAEHRSA-N	529.569	2.781	0	40	KFAB	
CC(=O)c1cc2c(cc1N(C(=O)Cn1nnc3ccccc31)[C@H](C(=O)NC[C@@H]1CCCO1)c1cccn1C)OCO2	100335874	LZJRHHUOUYZECT-VKGTZQKMSA-N	558.595	2.771	0	40	KFAB	
COc1ccc(N2C(=O)NC(=O)[C@@](Cc3ccc(OC)c(OC)c3)(CN3C[C@H]4C[C@H](C3)c3cccc(=O)n3C4)C2=O)cc1	100743318	YSKRTKWHDJABDN-VOSQCMCKSA-N	586.645	2.805	0	40	KFAB	
COc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1	102245566	GZISZYBOFMPVCC-MUUNZHRXSA-N	555.679	2.758	0	40	KFAB	
Cc1ccc(-c2nn3c(=O)cc(CN4CCN(S(=O)(=O)c5cccc6nsnc56)CC4)nc3s2)cc1	102350049	AOWFLDSSOXDRLV-UHFFFAOYSA-N	539.668	2.638	0	40	KFAB	
CN(CC(=O)OCC(=O)Nc1cc2[nH]c(=O)[nH]c2cc1Br)S(=O)(=O)c1ccc2ccccc2c1	102907464	GGKSIVTZCIMZOV-UHFFFAOYSA-N	547.387	2.574	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2cccc(Cl)c2)cc1	224448486	ZADPGXHLADFXAH-UHFFFAOYSA-N	624.137	2.760	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O	225457620	JHXDNZPJMCJFON-HNNXBMFYSA-N	524.437	2.581	0	40	KFAB	
COc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	408594656	UPRAVRJABUJYHM-GIDUJCDVSA-N	522.283	2.592	0	40	KFAB	
O=C(COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl)NCCN1CCOCC1	408610082	UWFYJQCYVJDSSC-UHFFFAOYSA-N	521.945	2.987	0	40	KFAB	
CCOc1cc(/C=C2/SC(=O)N(CCOC)C2=O)cc(I)c1OCC(=O)OC	409138238	ZRVCGKVJDWXPDZ-NTEUORMPSA-N	521.329	2.924	0	40	KFAB	
COC(=O)CN1C(=S)N(C)C(=O)/C1=C/c1cn(CC(=O)NCc2ccco2)c2ccc(Br)cc12	409140810	SOYCLDOKETWKJP-UWVJOHFNSA-N	545.415	2.886	0	40	KFAB	
CCc1ccc(O[C@H](C)C(=O)NCc2nnc(SCC(=O)Nc3ccc(C(=O)OC)cc3)n2C)cc1	409156990	HLTSYGVTWCEKGK-MRXNPFEDSA-N	511.604	2.979	0	40	KFAB	
CC(C)=CCC[C@]1(C)Oc2cc3c(c4c2[C@H]2[C@@H]1CC[C@@](O)(CO)[C@H]2O4)CN([C@H](CCC(=O)O)C(=O)O)C3=O	1772591712	LYIIXCDZJCVBSC-CJEWEQLUSA-N	529.586	2.836	0	40	KFAB	
CCN(CC)S(=O)(=O)c1ccc(NC(=O)CSc2nnc(Cn3nnc(-c4ccccc4)n3)n2CC)cc1	6878370	ULARXEQUAMSHFI-UHFFFAOYSA-N	555.690	2.761	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(SCC(=O)N3CCc4ccccc43)s2)cc1	9366583	BXKNTHJUQKQGAS-UHFFFAOYSA-N	503.631	2.722	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN(c3ccc(C(C)(C)C)cc3)S(C)(=O)=O)CC2)cc1	10288812	AYJIHTYQMCHBBB-UHFFFAOYSA-N	507.678	2.592	0	40	KFAB	
CCOC(=O)CN(C(=O)C[S@](=O)CC(=O)Nc1ccc(C)cc1)[C@@H](CC(C)C)C(=O)NC1CCCCC1	12473821	JUZPRTXJCGFKLC-VCIAFVEDSA-N	535.707	2.938	0	40	KFAB	
Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)cc1S(=O)(=O)N1CCOCC1	66166666	RRWIIAPDVJFQJW-KDURUIRLSA-N	535.688	2.935	0	40	KFAB	
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@H](Cc1ccccc1)C(=O)O	70706124	QSCXVJBYANZUPQ-NXCFDTQHSA-N	588.686	2.524	0	40	KFAB	biogenic
CC(=O)NCCN(C)C1=C[C@@H]2Oc3cc(N(C)CCNC(C)=O)ccc3[C@@]3(OC(=O)c4ccccc43)[C@H]2C=C1	100225223	DZABLMRNITYWGN-XXJPWZBZSA-N	530.625	2.572	0	40	KFAB	in-vitro
COc1ccc(-c2nn3c(=O)cc(CN4CCN(S(=O)(=O)c5ccc(F)c(F)c5)CC4)nc3s2)cc1	102350446	KMQRCIHJNUFMHP-UHFFFAOYSA-N	533.582	2.611	0	40	KFAB	
Cc1ccc(C)c(N(CCCC(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)c1	224309513	MEFCRCXBDPSZCT-UHFFFAOYSA-N	537.704	2.829	0	40	KFAB	
COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)N(C)Cc3cc(OC)c(OC)c(OC)c3)CC2)c1	226078178	ADVYDCIAXNEFLV-UHFFFAOYSA-N	522.620	2.789	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)[C@H](C)C(=O)NC(C)(C)C)cc1	260790139	NETILVUXOXKILX-GOSISDBHSA-N	535.663	2.810	0	40	KFAB	
O=S1(=O)C[C@H](O)[C@@H](Nc2ccc(NS(=O)(=O)c3cc(Br)ccc3Br)cc2)C1	575424587	UESQSZFSYWKLDR-GJZGRUSLSA-N	540.255	2.582	0	40	KFAB	
CCCC[C@H](C)[C@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@@H](C[C@H](C)C[C@@H](O)CCCC[C@H](O)C[C@@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O	1528998191	UVBUBMSSQKOIBE-UDUFHBGASA-N	721.838	2.564	0	40	KFAB	
CCOc1nc2sc3c(c2c(=O)n1CCN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)CCCC3	28558363	DMUAGVWKFJIZGS-UHFFFAOYSA-N	520.652	2.881	0	40	KFAB	
COc1cccc(NC(=O)CN(C)C(=O)c2ccc(NC(=O)C[C@@H]3SC(N4CCCC4)=NC3=O)cc2)c1	32735839	HOUHEVHMHPBHES-NRFANRHFSA-N	523.615	2.828	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O	44840799	UFBRORADDNRZBD-UHFFFAOYSA-N	516.041	2.846	0	40	KFAB	
NS(=O)(=O)c1ccc(CNC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(Br)cc2)cc1	59837476	HNMWULUKVYGQJJ-UHFFFAOYSA-N	544.493	2.736	0	40	KFAB	
CC(C)(c1ccc(OC(=O)N[C@H]2CCS(=O)(=O)C2)cc1)c1ccc(OC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1	102557680	QICXMZFJKBFXOW-BGYRXZFFSA-N	550.655	2.564	0	40	KFAB	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@H](c6cccs6)O[C@@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O	201698152	NRUKOCRGYNPUPR-ODYUCQNUSA-N	656.662	2.753	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O	222519186	ZMNFTHFLJVOZBS-MRXNPFEDSA-N	510.012	2.778	0	40	KFAB	
C[C@@H](NC(=O)CN(c1ccc(I)cc1)S(C)(=O)=O)c1ccc2c(c1)OCCO2	222674310	IHRLALYGPGRSJB-CYBMUJFWSA-N	516.357	2.706	0	40	KFAB	
COCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O	222782531	ZRDAVAPGWPFJPA-LJQANCHMSA-N	510.056	2.672	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCC2)c1	224024885	ZOXGBYKPTWXMTN-IBGZPJMESA-N	517.648	2.946	0	40	KFAB	
CC[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)N(c1cccc(C)c1)S(C)(=O)=O	224409655	RLXYWJUWFCTULU-XMMPIXPASA-N	537.704	2.909	0	40	KFAB	
CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	224628057	MXLWXSYWJQURNY-QHCPKHFHSA-N	531.675	2.990	0	40	KFAB	
CCOc1ccc(-c2noc(CN(C)C(=O)CCc3cc(S(=O)(=O)N(C)C)ccc3OC)n2)cc1	225320662	MOOMAGOSBDPTGB-UHFFFAOYSA-N	502.593	2.985	0	40	KFAB	
COC(=O)C[C@@H](c1oc(CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc(=O)c1O)c1coc2ccc(OC)cc2c1=O	257198556	CGKBWSRNYLRRNW-WAOWUJCRSA-N	574.586	2.936	0	40	KFAB	
COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(Br)cc1	408592327	LDBPDDHBSYMLAR-NSHDSACASA-N	501.355	2.558	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(=O)O)cc3)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1	408828129	LESJLGNPERFXNZ-IYMWYRQMSA-N	538.578	2.522	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/[C@@H]3C(=O)N(c4ccccc4)N=C3C)c(=O)n2[C@@H]1c1ccccc1	409019655	VLETZKFDRQZLSS-FOQIIPSSSA-N	500.580	2.789	0	40	KFAB	
CCOC(=O)COc1ccc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1Br	409399473	IZWWREKEFGRGRK-DHDCSXOGSA-N	507.293	2.864	0	40	KFAB	
COc1cc(CN2CCOC[C@](O)(COc3cccc(F)c3)C2)ccc1OCCCN1CCCC1=O	585281931	UPAMREIKIAUFSD-MHZLTWQESA-N	502.583	2.868	0	40	KFAB	
CCCn1c(-n2nc(C)c3c2C=C2Oc4c(C(C)=O)c(O)c(C)c(O)c4[C@@]2(C)C3=O)nc2c1c(O)nc(=O)n2C	1547139044	BNJWUNKKAYADRT-MHZLTWQESA-N	546.540	2.549	0	40	KFAB	biogenic
CCOC(=O)c1sc2nc(COC(=O)c3ccc(S(=O)(=O)N(CC)CC)cc3)[nH]c(=O)c2c1C	2615872	UNTJPGXINBLEAC-UHFFFAOYSA-N	507.590	2.857	0	40	KFAB	
O=C(CCNC(=O)c1ccccc1Cl)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1	12529687	VAYZBIVETVHWSN-UHFFFAOYSA-N	521.039	2.720	0	40	KFAB	
Cn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1-c1ccc(S(=O)(=O)N2CCCC2)cc1	13084670	KAYPQXFDRFOZDV-UHFFFAOYSA-N	526.688	2.708	0	40	KFAB	
CC(C)c1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(c3cccc(Cl)c3)CC2)cc1	20803132	CMCYUKLPCZFHBC-XMMPIXPASA-N	512.054	2.941	0	40	KFAB	
Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc12	22870368	SPPGAKMUSNPNGK-DFHRPNOPSA-N	557.655	2.946	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(S(=O)(=O)Nc4nccc(C)n4)cc3)C2)cc1	59852524	OFVRRYCTRMLWIY-SFHVURJKSA-N	545.643	2.634	0	40	KFAB	
Cc1cc(C)cc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1	96302099	ZSABFRUOQUPFGW-HSZRJFAPSA-N	531.579	2.800	0	40	KFAB	
COc1cc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H]4C[C@@H](C3)Cn3c4cccc3=O)cc2)cc(OC)c1OC	100750130	KRKLGMBHTDPPMK-HKUYNNGSSA-N	539.610	2.934	0	40	KFAB	biogenic
Cc1cccc(-c2nn3c(=O)cc(CN4CCN(S(=O)(=O)c5cccc6nsnc56)CC4)nc3s2)c1	102468316	OGLVROYBXFYYKK-UHFFFAOYSA-N	539.668	2.638	0	40	KFAB	
O=C(CSc1nc2ccccc2c(=O)n1CCCN1CCOCC1)Nc1ccc(CN2CCOCC2)cc1	102895774	PLSXFLIPTWICRD-UHFFFAOYSA-N	537.686	2.682	0	40	KFAB	
COc1cc(S(=O)(=O)N2CCOCC2)ccc1NC(=O)COC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	102934307	OSXCFARWBGYVPM-AWEZNQCLSA-N	547.413	2.972	0	40	KFAB	
O=C(O)CN1C(=O)[C@H]2[C@@H]3C[C@H]([C@H]2C1=O)[C@H]1Sc2[nH]c(=O)sc2[C@H](c2ccc(Br)cc2)[C@H]31	169708719	BKXAIHBEWJHDDZ-PYBYZOCASA-N	521.414	2.757	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O	222953350	XAYLWBWRPDLPFO-HNNXBMFYSA-N	514.417	2.908	0	40	KFAB	
COc1ccc(CN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)[C@H](C(=O)NCCN2CCOCC2)c2ccccc2)cc1	260726692	ZMACOHMDOIQDNF-HKBQPEDESA-N	608.761	2.675	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	261029230	WYZOQEXHVPZLFX-MSOLQXFVSA-N	519.620	2.522	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C)c4ccccc43)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br	409117934	PNOLRQMPEWADAZ-VFJWVMJUSA-N	598.475	2.925	0	40	KFAB	
CN(CCC[C@H]1C(=O)N(C)CCCCC2(CCN(C(=O)OC(C)(C)C)CC2)COCC(=O)N1C)C(=O)CCN1CCCC1=O	643560326	KUUTWJHNNNJZFF-VWLOTQADSA-N	621.820	2.741	0	40	KFAB	
COc1cccc(CCCNC(=O)[C@@H]2CC(=O)N[C@H](C(C)C)C(=O)N[C@H](CC(C)C)COc3ccccc3C(=O)N2)c1	643565776	NEEHQWQCNCCRAM-ZSOKXDGFSA-N	580.726	2.997	0	40	KFAB	
CS(=O)(=O)N1CCC(CC(=O)N2CCCCC3(CO)CCN(CC3)Cc3ccccc3OCC2)CC1	643578852	JNDINKKERQPKPS-UHFFFAOYSA-N	521.724	2.714	0	40	KFAB	
CCOC(=O)CNC(=O)[C@@H](c1cccs1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(C)cc(C)c1	6546842	GDIWQGRYPJDRLR-LJQANCHMSA-N	515.617	2.570	0	40	KFAB	
CCOc1ccc([C@H](C(=O)NC2CCCCC2)N(CCOC)C(=O)c2snc(C(N)=O)c2N)cc1	6601585	XIKCFHHJPFMFKJ-HXUWFJFHSA-N	503.625	2.502	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OC)cc3OC)c(=O)n2[C@H]1c1ccc(OC)cc1	8451814	BSFLXMOSBHQCQQ-JGTYQCAFSA-N	524.595	2.833	0	40	KFAB	
CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)C[C@H]3CCCO3)cc2)sc2c1CCN(C)C2	9599587	LGGIOXXJQCGZPY-QGZVFWFLSA-N	521.661	2.965	0	40	KFAB	
CN(Cc1ccccc1)c1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccc(Cl)cc1Cl	10386391	VTSCVRRDVPJJMV-INIZCTEOSA-N	504.374	2.806	0	40	KFAB	
COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCC2)c2ccco2)cc1OC	12703768	JLYSNZYTKSISHK-FQEVSTJZSA-N	513.576	2.881	0	40	KFAB	
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cccc(OC)c3)S(C)(=O)=O)cc2)cc1	20061241	LOCXPPRREKIVEH-UHFFFAOYSA-N	519.601	2.909	0	40	KFAB	
COC(=O)C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1ccc(C)cc1	24980548	PMXSUJQRYSFXFS-NRFANRHFSA-N	502.589	2.588	0	40	KFAB	
COc1ccc(C(=O)N[C@H]2CC[C@]3(C)CC[C@@H]([C@H](C)C(=O)NCCN4CCOCC4)[C@H](O)[C@H]3[C@@H]2C)cc1	67898865	OQFXPVHEPAYUFY-DQZWIMGWSA-N	515.695	2.701	0	40	KFAB	biogenic,in-vitro
COc1ccc(C(=O)Cn2c(=O)n(Cc3nc(-c4ccccc4)no3)c(=O)c3cc4c(cc32)OCO4)cc1OC	102089488	GORYEVGYMHVTJU-UHFFFAOYSA-N	542.504	2.890	0	40	KFAB	
COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccccc2)c(OC)c1	105777298	JVKGJDRNJRPRIL-UHFFFAOYSA-N	575.665	2.559	0	40	KFAB	
CC(=O)OCC(=O)[C@]1(O)CC[C@H]2[C@@H]3C[C@H](C)[C@@]4(O)CC5(CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)OCC(C)(C)CO5	118936672	ZLQSMGWGWLVEOS-UXVUAHGDSA-N	522.679	2.993	0	40	KFAB	
CCc1c(O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)ccc(C(=O)Cc2ccc3c(c2)OCO3)c1O	170621334	VBEJBERDNOPXME-RERJCABYSA-N	630.599	2.571	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	223018602	ZNMVUVOOXFBLCC-INIZCTEOSA-N	554.463	2.887	0	40	KFAB	
CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	224240994	JPCGDLXUIGEDEL-NRFANRHFSA-N	505.637	2.722	0	40	KFAB	
CCc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccccc2)cc1	224446493	JRJGKLPKSJUPNF-UHFFFAOYSA-N	587.720	2.660	0	40	KFAB	
COc1ccc(N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)cc1OC	260773035	IBKHPWPCCUXHRP-LJQANCHMSA-N	517.648	2.946	0	40	KFAB	
Cc1ccc(Cl)cc1NC(=O)COc1ccc(N2C[C@H](C(=O)NCCCN3CCOCC3)CC2=O)cc1	408576440	HDJZJIWABOLKCY-HXUWFJFHSA-N	529.037	2.857	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1	408700503	GZDPHJNGKOECQV-UHFFFAOYSA-N	522.630	2.989	0	40	KFAB	
Cc1nn(C)c(C)c1CCNC(=O)[C@@H]1CCC(=O)N[C@@H](c2ccccc2)C(=O)N(C)CC(=O)N[C@@H](CC(C)C)COc2ccccc2C(=O)N1	643572144	QHPDHTJTYOXDKE-XODAODHESA-N	687.842	2.514	0	40	KFAB	
COc1cccc(CCCNC(=O)[C@@H]2CC(=O)NC3(CCCC3)C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCCOc3ccccc3C(=O)N2)c1	643576624	XJOODKMUHPVCEH-ACHIHNKUSA-N	697.833	2.988	0	40	KFAB	
Cc1cccc(OCCNC(=O)[C@@H]2CC(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3COc3ccccc3C(=O)N2)c1C	643578104	FQBNPYWUKHXQDW-SNUWEPMUSA-N	564.683	2.511	0	40	KFAB	
Cc1cc(OCCNC(=O)[C@@H]2CC(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)CCOc3ccccc3C(=O)N2)ccc1Cl	643579332	YVFOTQIGZJGGOT-SVBPBHIXSA-N	607.107	2.910	0	40	KFAB	
O=C1NC2(CCOc3cc(-c4cccnc4)ccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(Cc1cccs1)CC2	1548889784	KFMLFUOHTYRURU-VWNXMTODSA-N	568.721	2.868	0	40	KFAB	
COC(=O)Nc1ccc(C(=O)O[C@@H](C)C(=O)OCCOC(=O)[C@@H](C)OC(=O)c2ccc(NC(=O)OC)cc2)cc1	2060993679	KAACECWCEDWKES-IYBDPMFKSA-N	560.512	2.920	0	40	KFAB	
CC1(C)[C@@H](C(=O)N(Cc2ccco2)C2(C(=O)NC3CCCCC3)CCCCC2)N2C(=O)C[C@H]2S1(=O)=O	8876518	XSASMXYTKLTUCW-FGZHOGPDSA-N	519.664	2.894	0	40	KFAB	biogenic
NS(=O)(=O)c1cc(Cl)c(NC(=O)COC(=O)CSc2ccc3c(c2)OCCO3)c(Cl)c1	13133683	RTMOFOIPQUKOEC-UHFFFAOYSA-N	507.373	2.686	0	40	KFAB	
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(Cl)cc3)CC2)N[C@@H]1c1cc(OC)c(OC)c(OC)c1	20674922	OKRQOTFGFROZNO-FGZHOGPDSA-N	531.009	2.894	0	40	KFAB	
O=C(OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1	33355133	JJFICUPIRKNFIU-QJXQVQFTSA-N	574.517	2.881	0	40	KFAB	
COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1	59838187	DLFJPTJHYKRUMO-MRXNPFEDSA-N	530.068	2.506	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1	60042820	WUROTPMTTNPAMJ-UHFFFAOYSA-N	590.095	2.689	0	40	KFAB	
COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1	66156409	NZFQBNZUMCKMCR-UHFFFAOYSA-N	545.639	2.794	0	40	KFAB	
CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(=O)c(-c4csc(C)n4)c(C)oc3c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	70665811	MPYSQDHQADOJMQ-FSKOWZIRSA-N	603.602	2.995	0	40	KFAB	biogenic
Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc2C)cc1	224438088	UQIUBIZIAHMOCN-UHFFFAOYSA-N	587.720	2.715	0	40	KFAB	
Cc1nc2ccccc2n1CCCC(=O)N1CCC2(CC1)COC[C@@](C)(O)[C@H](n1cnc3c(N)ncnc31)C2	257274748	NMLMBDCWOWGLSH-AJTFRIOCSA-N	532.649	2.868	0	40	KFAB	
COc1cc(OC)cc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3cc(C)c(Br)c(C)c3)CC2=O)c1	408658344	QZPZTDXODZSFRT-INIZCTEOSA-N	548.390	2.758	0	40	KFAB	
CCOC(=O)CN1C(=O)/C(=c2/sc3n(c2=O)[C@H](c2cc(OC)c(OC)cc2Br)C(C(=O)OCC)=C(C)N=3)c2ccccc21	409385655	BUOYBMLDKNHPBK-NPJIAGGLSA-N	670.538	2.858	0	40	KFAB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)cc(OC)c3O[C@@H](C)C(=O)O)C2=O)o1	409399042	FMSZNPIXPMBEGL-IXIHQHOXSA-N	523.292	2.782	0	40	KFAB	
O=S1(=O)C[C@@H]2[C@H](C1)N(Cc1cccc(Cl)c1)[C@H]1CS(=O)(=O)C[C@H]1N2Cc1cccc(Cl)c1	575420123	GAYGCHHVCBKQCS-URSFVKLHSA-N	515.484	2.642	0	40	KFAB	
CCOc1ccc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1	666131	OBLFGRXGYPLMRA-DEOSSOPVSA-N	529.640	2.788	0	40	KFAB	
CCOC(=O)C1=C(N)n2c(s/c(=C\c3ccc(Cl)cc3)c2=O)=C(C(=O)OC)[C@H]1c1ccc(Cl)cc1	1823139	WGGVEIMYEKAPFE-FSEPTYSPSA-N	531.417	2.857	0	40	KFAB	
COc1ccc2c(C)c(CC(=O)NCC(=O)N[C@@H](CSCc3ccccc3)C(=O)O)c(=O)oc2c1C	8791244	MQFDATYEZBDMIM-FQEVSTJZSA-N	512.584	2.580	0	40	KFAB	biogenic
COC(=O)c1cc(NC(=O)CN2C(=O)N[C@](Cc3ccccc3)(c3ccccc3)C2=O)cc(C(=O)OC)c1	12635962	PJTNEIRPDCWIDM-MUUNZHRXSA-N	515.522	2.888	0	40	KFAB	
Cc1c(NC(=O)[C@H](C)OC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccco2)c(=O)n(-c2ccccc2)n1C	13063647	XVJFUMFDBPPRGU-UGKGYDQZSA-N	516.554	2.989	0	40	KFAB	
CC(C)CCN(C(=O)c1cccc(N2C(=O)CCC2=O)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	13095810	WNDZECCGTFLVPD-UHFFFAOYSA-N	503.559	2.513	0	40	KFAB	
COCCn1nnnc1[C@@H](C(C)C)N(CCCN1CCOCC1)Cc1cc2c(C)cc(C)cc2[nH]c1=O	13499112	QSDAGEVSDRFICS-RUZDIDTESA-N	511.671	2.699	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1C	22268558	JQDVZFPMBOTVQL-QFIPXVFZSA-N	517.629	2.569	0	40	KFAB	
CCCCN(C(=O)NCCCCCCNC(=O)N(CCCC)[C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1	38140414	SEJKVRNPINWFGY-SZPZYZBQSA-N	550.788	2.544	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)Cc2ccccc2)cc1	59837513	OCHUAMZYTLPTOP-UHFFFAOYSA-N	557.694	2.987	0	40	KFAB	
CCOC(=O)CN1C(=O)[C@@]2(N[C@@H](Cc3ccccc3)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]32)c2ccccc21	100193612	SIHWJLLANVMQEL-HVSOMOSWSA-N	509.562	2.812	0	40	KFAB	
NC(=O)c1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)cc(C(N)=O)c1	102993247	JOTQCJWTNKZSTC-UHFFFAOYSA-N	532.928	2.596	0	40	KFAB	
COC(=O)Cn1c(=O)c(C(=O)CSc2nnc(-c3ccccc3)n2Cc2ccco2)c(N)n(Cc2ccccc2)c1=O	103062575	SCORNBZJQHGBHM-UHFFFAOYSA-N	586.630	2.688	0	40	KFAB	
CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	222834632	HXEOTTBBHOTYKQ-HSZRJFAPSA-N	522.643	2.779	0	40	KFAB	
CCOc1ccccc1N(CCCC(=O)N(Cc1ccc(OC)cc1)[C@@H](C)C(=O)NC)S(C)(=O)=O	222866876	CLRWYVNVJAYGSG-IBGZPJMESA-N	505.637	2.803	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O	223024962	HPSNULJJUSKKSX-MRXNPFEDSA-N	536.448	2.927	0	40	KFAB	
COc1ccc(CNC(=O)[C@@H](Cc2ccccc2)N(Cc2ccc(F)cc2)C(=O)CN(C)S(C)(=O)=O)cc1	223186336	KFMOQYZDGRCBMR-AREMUKBSSA-N	541.645	2.982	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	223440526	TYWRKIQOUMUKJY-IBGZPJMESA-N	535.663	2.812	0	40	KFAB	
Cc1cc(N(CC(=O)NCc2cccc(CN3CCOCC3)c2)S(C)(=O)=O)ccc1Br	224721012	JRMJNZSKBVCKDO-UHFFFAOYSA-N	510.454	2.672	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@H](C(=O)NC[C@H]3CCCO3)c3ccc(F)cc3)n2)cc1	245230837	ZYIJGJBUZNUTBB-USZFVNFHSA-N	552.607	2.532	0	40	KFAB	
COc1ccc(OC)c(S(=O)(=O)N2CCC[C@](COc3ccccc3)(CC(=O)N3CCOCC3)C2)c1	257325695	WUBKQOSSBLXVPF-SANMLTNESA-N	518.632	2.803	0	40	KFAB	
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@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)C(C)(C)[C@@H]3CC[C@]12C	257493394	NJUXRKMKOFXMRX-VYZKTYAESA-N	767.010	2.954	0	40	KFAB	endogenous,in-man
COc1cc([C@H](CC(=O)NC[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)c2oc(C)cc(=O)c2O)ccc1O	524730472	KOLDXNBRTHNRJM-RBUKOAKNSA-N	552.580	2.973	0	40	KFAB	biogenic
COC(=O)Nc1ccc(OCC(=O)OCCOCCOC(=O)COc2ccc(NC(=O)OC)cc2)cc1	2061000141	QSWAIJZELKGSBL-UHFFFAOYSA-N	520.491	2.604	0	40	KFAB	
CCCCN(C(=O)CSc1nncn1-c1ccccc1OC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	3433172	DSNAAYKSTSMVCY-UHFFFAOYSA-N	535.630	2.682	0	40	KFAB	
N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O	3942635	JYOUATXRHWNDDW-YRCZKMHPSA-N	634.733	2.755	0	40	KFAB	in-vivo
CCOc1ccc([C@@H](C(=O)NC(C)(C)C)N(Cc2cccnc2)C(=O)c2snc(C(N)=O)c2N)cc1	6090055	XGEGVNVXLSEQLQ-FQEVSTJZSA-N	510.620	2.916	0	40	KFAB	
COCCOc1ccc(C(F)(F)F)cc1NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1	12874387	ARWFGYWIWIQFCR-UHFFFAOYSA-N	508.540	2.994	0	40	KFAB	
CCOc1ccc(OCCCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)cc1	13134923	ZARTXHBTUIBJNN-UHFFFAOYSA-N	533.647	2.741	0	40	KFAB	
CCCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1	20032615	AHDGOWNNHCLLPY-UHFFFAOYSA-N	523.677	2.635	0	40	KFAB	
COc1ccccc1N1CCN(C(=O)CCC(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)CC1	27913558	RVGGMMOBECDWMJ-UHFFFAOYSA-N	502.618	2.776	0	40	KFAB	
CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)NCC1CCC(C(=O)O)CC1	70701235	JOJBNSUIMIARTN-WXESENMXSA-N	548.640	2.622	0	40	KFAB	biogenic
CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC(C)=O)cc2)C(C(=O)OC)=C(C)N=3)ccc1OC(C)=O	100565128	WPSUWQJBFUPTES-AQIZGWBQSA-N	550.589	2.658	0	40	KFAB	
CC(=O)Nc1ccc(S(=O)(=O)N[C@H](Cc2cc(Br)c(O)c(Br)c2)C(=O)O)cc1	101461908	YUSSFDQLCBQVFD-OAHLLOKOSA-N	536.198	2.850	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCO5)coc3c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	170621361	MJRFCSQUAHKKFK-FGDOCSQISA-N	626.567	2.693	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O	216236984	CIRJZTCLZJXLTD-SFHVURJKSA-N	509.650	2.890	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1	225200947	NDNBEFGXODIORW-FQEVSTJZSA-N	523.611	2.816	0	40	KFAB	
COc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)c(OC)c1	260774518	XNLUEDUEYWFSOP-LJQANCHMSA-N	505.637	2.720	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C	260876801	BPCIBPCRZSCIBS-UXHICEINSA-N	504.653	2.640	0	40	KFAB	
O=C(COc1ccc(N2C[C@H](C(=O)NCCCN3CCOCC3)CC2=O)cc1)Nc1cccc(C(F)(F)F)c1	408580395	QLWCOJTVMOUCRB-LJQANCHMSA-N	548.562	2.914	0	40	KFAB	
CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)ccc1OCC(=O)N1CCOCC1	409193435	CNEPSHPNLYWWSN-ITYLOYPMSA-N	610.689	2.835	0	40	KFAB	
CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCOc2ccc(Cl)cc2)CC(=O)N[C@@H](Cc2ccccc2)C1=O	643566465	RBUWSYOSVXSRSI-UIOOFZCWSA-N	593.080	2.602	0	40	KFAB	
COc1cc(C(=O)N2CCCCC3(CCN(Cc4ccccc4)CC3)C(=O)OC[C@@H](O)[C@@H](O)CC2)ccn1	643578548	YCIFCNUQTIXTCP-LOSJGSFVSA-N	525.646	2.654	0	40	KFAB	
COc1ccc(C)cc1NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	656059	VMXACHDCWSGPBQ-HSZRJFAPSA-N	529.640	2.706	0	40	KFAB	
Cn1c(N)c(C(=O)COC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)c(=O)n(C)c1=O	3260448	NCTHHWGOJUCKMB-OUKQBFOZSA-N	525.521	2.704	0	40	KFAB	
Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(O)cc2)c1C	12473953	LGFHNBIFXFXLFJ-AVRDEDQJSA-N	523.615	2.830	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)C2)cc1	26111240	AGQNJIGYRJRZQT-GOSISDBHSA-N	507.634	2.519	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1	30859219	DAEALCDAVYBPBO-UHFFFAOYSA-N	526.080	2.721	0	40	KFAB	
Cc1ccc(S(=O)(=O)Nc2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(C(=O)c3cccc(C(=O)O)c3)C2)cc1	35415742	OSTKQXARKDUSCB-FXAWDEMLSA-N	507.568	2.915	0	40	KFAB	biogenic,in-vitro
CCN(CC)C(=O)CN1C(=O)[C@]2(N[C@@H](CCSC)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)c2ccccc21	100130529	PJFQYXJEWPMYMV-LGZHOBANSA-N	534.682	2.623	0	40	KFAB	
O=C(COC(=O)[C@@H](CCCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccccc1	100557638	DEBNVJCUUFJKGP-ZFGIWYQQSA-N	556.615	2.566	0	40	KFAB	
Cc1ccc(NS(=O)(=O)c2cccc(C(=O)OCC(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)c2)c(C)c1	102931807	RITXTCGCUKUTON-UHFFFAOYSA-N	587.676	2.921	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	224997023	VDSGCUVRFLXZGY-RTBURBONSA-N	503.621	2.903	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O	225374067	OZMHZXSULZQPBB-RBUKOAKNSA-N	515.632	2.952	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	225505891	BNUPEAXZPLYVLD-VWLOTQADSA-N	539.654	2.856	0	40	KFAB	
CCc1noc(CCC(=O)N2CC[C@H](Oc3cccc(Cl)c3)[C@@H](CC(=O)N3CCN(C)CC3)C2)n1	257306909	SWNUMCWSHQNWCK-RXVVDRJESA-N	504.031	2.678	0	40	KFAB	
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@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)C(C)(C)[C@@H]3CC[C@]12C	257493393	NJUXRKMKOFXMRX-UFZZOIOWSA-N	767.010	2.954	0	40	KFAB	endogenous,in-man
CCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1	408679133	CFLOICWDAPLRCE-FJFAMUBHSA-N	516.550	2.763	0	40	KFAB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)cc(OC)c3O[C@H](C)C(=O)O)C2=O)o1	409399044	FMSZNPIXPMBEGL-QOUOVQQFSA-N	523.292	2.782	0	40	KFAB	
O=C(O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(N([C@@H]3CS(=O)(=O)C[C@H]3O)S(=O)(=O)c3cc(C(=O)O)ccc3Cl)cc2)c1	575425961	JSDSQQZZZBMBDX-WOJBJXKFSA-N	679.534	2.544	0	40	KFAB	
Cc1cc(OC[C@@]2(O)CN(Cc3ccc(OCCCN4CC(=O)NC4=O)cc3)CC[C@@H]2O)cc(C)c1Cl	585281302	HWUYUOSNHOIEGN-HOFKKMOUSA-N	532.037	2.654	0	40	KFAB	
CC(C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCCN2CCCCCC2)NC(=O)c2ccccc2OC[C@@H](Cc2ccccc2)NC1=O	643568250	UNYCVMFBVVPXGJ-RDLJJFNOSA-N	605.780	2.818	0	40	KFAB	
CN1CC(=O)N(C)[C@H](Cc2ccccc2)COc2ccccc2C(=O)N[C@H](C(=O)NCCc2ccc(F)cc2)CCC1=O	643569587	KNSQLGXWWGYSJB-IAPPQJPRSA-N	588.680	2.984	0	40	KFAB	
COc1ccc(N2C(=O)NC(=O)[C@@](Cc3ccccc3OC)(CN3C[C@H]4C[C@H](C3)c3cccc(=O)n3C4)C2=O)cc1	2139232	SSAKRCIAUGIXDA-LGRYOIANSA-N	556.619	2.797	0	40	KFAB	
CCn1nccc1/C=c1/sc2n(c1=O)[C@H](c1ccc(O)c(OC)c1)C(C(=O)Nc1ccccc1)=C(C)N=2	2787738	ZIEAEFOQVQYZBO-WLGHQHAYSA-N	515.595	2.805	0	40	KFAB	
COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2)cc1	7059791	NIYTVQLOSKGHQT-GHTZIAJQSA-N	509.588	2.516	0	40	KFAB	
O=C(NC1CCCC1)[C@@H](c1ccc(O)cc1)N(C[C@@H]1CCCO1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1	12702705	LIJZFSLTADFKIA-UKILVPOCSA-N	522.581	2.993	0	40	KFAB	
CN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)C23CC4CC(CC(C4)C2)C3)CC1	13129097	FVCQITPTZKGRQW-UHFFFAOYSA-N	502.681	2.614	0	40	KFAB	
COCCNC(=O)c1ccccc1NC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1	19856551	OAIVLAHCGLIOGB-UHFFFAOYSA-N	527.599	2.914	0	40	KFAB	
COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1Cl	59834065	GEOQTJIBNPWJLR-HXUWFJFHSA-N	524.020	2.524	0	40	KFAB	
CCN(CC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)S(=O)(=O)c1ccc(Br)cc1	59837998	CIZAYEDWOIPOSP-UHFFFAOYSA-N	558.520	2.951	0	40	KFAB	
C[C@H]1CN=C(NCCN(CCN(CCNC2=NC[C@@H](C)S2)C2=NC[C@H](C)S2)C2=NC[C@H](C)S2)S1	100934177	KBPVXXHTEMHDGY-MHORFTMASA-N	542.870	2.735	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1	103085705	WCMJOFNQKFLOJG-UHFFFAOYSA-N	541.582	2.965	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)C2)cc1	215969722	XXJTVSNLKZRHKP-LJQANCHMSA-N	559.670	2.942	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	260935263	ICGZLURJWONPHW-OALUTQOASA-N	535.663	2.810	0	40	KFAB	
COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN(Cc1ccc(Br)cc1)S(C)(=O)=O	408625179	VUFFNKSLDPKVRB-UHFFFAOYSA-N	515.382	2.653	0	40	KFAB	
CCc1cc(Br)ccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2OC)C1	408655140	KXUDNWDBYPBIPZ-OAHLLOKOSA-N	518.364	2.695	0	40	KFAB	
COc1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(OC)c1	408691324	ZHOMBEWKOYAPBZ-WDYMBFKSSA-N	504.539	2.604	0	40	KFAB	
O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4ccccc41)CC[C@@H]3O)N(Cc1ccc(C(F)(F)F)cc1)C2	514287497	GMJSDXHWSKZWMG-AKNSVXHUSA-N	547.574	2.886	0	40	KFAB	
COCC(=O)N1CCN(Cc2cccc(OCCN3CCCCC3)c2)C[C@](O)(COc2ccc(F)c(F)c2)C1	585281281	YKMHMIGHHCMZIP-GDLZYMKVSA-N	547.643	2.930	0	40	KFAB	
CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)NCc2cccc(CN3CCCC3=O)c2)NC(=O)c2ccccc2OC[C@H]2CCCN2C1=O	643566756	JOTYUSDBQLNPMS-PKXQUSJVSA-N	617.747	2.528	0	40	KFAB	
NS(=O)(=O)c1ccc(CCn2c(SCC(=O)NCc3ccccc3)nc3ccccc3c2=O)cc1	2970542	CQSPTJFHRTYWHS-UHFFFAOYSA-N	508.625	2.695	0	40	KFAB	
COc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)c2ccc(NS(=O)(=O)c4ccc(NC(C)=O)cc4)c(=O)n2C3)cc1	4150050	CRJHGLFOYWDCHB-AZUAARDMSA-N	536.610	2.876	0	40	KFAB	biogenic,in-vitro
COc1cc(OC)cc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)o2)c1	9412903	BNGIWKLYNZXZLM-HUUCEWRRSA-N	502.549	2.804	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC(=O)CN1C(=O)N[C@@]2(C[C@H](C)CC(C)(C)C2)C1=O	28876625	YTUHNNRCUNSYIW-DNOBIOAJSA-N	562.689	2.788	0	40	KFAB	
CCCCCN(C(=O)CCC(=O)OCC(=O)N(CC)C1CCCCC1)c1c(N)n(CCCC)c(=O)[nH]c1=O	32944987	XYXSUJJBRAVVDH-UHFFFAOYSA-N	535.686	2.947	0	40	KFAB	
COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(F)c2)cc1OC	100309842	RPVVSUSUTZWMGW-VGSWGCGISA-N	557.604	2.664	0	40	KFAB	
CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)c1cc(O)nc2ccccc12	103098314	SXBSNECFDWZREM-UHFFFAOYSA-N	542.614	2.603	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)OCCO4)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	109601120	LCLCCJJZKIHIRG-RNECYNAXSA-N	594.642	2.520	0	40	KFAB	
COc1ccc(NC(=O)CCCN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1S(=O)(=O)N1CCOCC1	223225683	LMLFGAWLIFAKIY-UHFFFAOYSA-N	560.094	2.863	0	40	KFAB	
CCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	225380744	YYPVQGUWMDAIMF-QFIPXVFZSA-N	533.647	2.914	0	40	KFAB	
CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	225713100	ZYUABHJDSWESMG-NRFANRHFSA-N	503.621	2.903	0	40	KFAB	
Cc1ccc(S(=O)(=O)NCCNC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	226027386	RCMLVGZLWBGNSK-UHFFFAOYSA-N	533.647	2.728	0	40	KFAB	
Cn1c(O)c(C(c2cc(Cl)c(O)c(Br)c2)c2c(O)n(C)c(=S)n(C)c2=O)c(=O)n(C)c1=S	409066671	LZGXEEWOWMPKIM-UHFFFAOYSA-N	561.867	2.933	0	40	KFAB	
COCC(=O)N1CCN(Cc2cccc(OCCCN3CCCCCC3=O)c2)C[C@](O)(COc2ccccc2)C1	585270317	BKPLNCRKWQTZOF-WJOKGBTCSA-N	553.700	2.959	0	40	KFAB	
CN1CC2(CCN(C(=O)COc3ccc(Cl)cc3)CC2)C[C@@H](O)[C@@H](O)Cc2ccccc2OCC1=O	2037928562	TWHDLRCJWUQLCZ-XZOQPEGZSA-N	517.022	2.533	0	40	KFAB	
NC(=O)CSc1nc2cc3c(cc2c(=O)n1Cc1ccc(C(=O)N2CCN(c4ccccc4)CC2)cc1)OCO3	4030323	QNIBUIVQKDLKNG-UHFFFAOYSA-N	557.632	2.713	0	40	KFAB	
CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc2c(c1)OCO2	10058961	NIQULSRIKJBCPX-UHFFFAOYSA-N	503.558	2.621	0	40	KFAB	
Cc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc3c(c2)OCO3)o1	12714665	URLKUOVKACRZCX-HXUWFJFHSA-N	511.560	2.901	0	40	KFAB	
COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)S(C)(=O)=O)c1	20060912	ANKGRPWVIVQMJY-UHFFFAOYSA-N	519.601	2.909	0	40	KFAB	
CCOC(=O)C[C@H](O)C[C@H](O)/C=C/c1c(-c2ccc(F)cc2)nc(N(C)S(C)(=O)=O)nc1C(C)C	38339134	MSHKEMUMXTZIIT-MCBHFWOFSA-N	509.600	2.880	0	40	KFAB	in-vitro
COCCNC(=O)CSc1nc2cc3c(cc2c(=O)n1Cc1ccc(C(=O)NCc2ccc4c(c2)OCO4)cc1)OCO3	102755876	ZHRQXDAKKQFOBE-UHFFFAOYSA-N	604.641	2.687	0	40	KFAB	
COc1ccc(CCNC(=O)c2ccccc2NS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)cc1OC	223278831	HWGOYAGNTPPTQU-UHFFFAOYSA-N	533.632	2.923	0	40	KFAB	
CC[C@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	224959696	JZWRLASVSNVQDY-JOCHJYFZSA-N	517.648	2.803	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	225631316	ZUBVBJJJBTUYIA-QFIPXVFZSA-N	526.014	2.871	0	40	KFAB	
Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1	408636026	OSXHIXOSAQXKBJ-UHFFFAOYSA-N	527.565	2.762	0	40	KFAB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(OC)c(OC(C)=O)c(OC)c4)c(=O)n32)cc1OCC	408950806	UHEJPMPZUPKEEP-JMROEOJKSA-N	582.631	2.758	0	40	KFAB	
CC(C)C[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCc2ccccc2F)CCC(=O)N(C)CCCC(=O)N(C)CC(=O)N1	643571616	GZPZFWYOGFWKLV-LSYYVWMOSA-N	639.769	2.684	0	40	KFAB	
COc1cccc(-c2ccc3c(c2)O[C@H]2CN(CCC(C)(C)C)C[C@H]2N(C)C[C@@H](O)CNS3(=O)=O)c1	1534613370	SWXPJPQASOZKEB-PWWKTKHKSA-N	517.692	2.815	0	40	KFAB	
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](CCSC)C(=O)NC[C@@H]3CCS(=O)(=O)C3)c(=O)cc1[C@@H](NC(C)=O)CC2	1565538601	YMMYBIRAEFLUQG-BFMBIBTESA-N	647.816	2.948	0	40	KFAB	biogenic
COC(=O)Nc1ccc(C(=O)O[C@H](C)C(=O)OCCOC(=O)[C@@H](C)OC(=O)c2ccc(NC(=O)OC)cc2)cc1	2060993678	KAACECWCEDWKES-HZPDHXFCSA-N	560.512	2.920	0	40	KFAB	
COc1ccc(C[C@]2(CN3C[C@H]4C[C@H](C3)c3cccc(=O)n3C4)C(=O)NC(=O)N(C3CCCCC3)C2=O)cc1	2119104	CJAGOLUMLQZUOM-WOGZVKCMSA-N	532.641	2.916	0	40	KFAB	
CCn1cc(C(=O)O)c(=O)c2cnc(N3CCN(C(=S)NC(=O)c4ccc(Cl)cc4Cl)CC3)nc21	2226981	KDDIZBJYFQITFH-UHFFFAOYSA-N	535.413	2.653	0	40	KFAB	
Cn1c(=O)c2sccc2n2c(CCCC(=O)NCCCN3CCN(c4cccc(Cl)c4)CC3)nnc12	9673570	ASVAPFAYGDAIHK-UHFFFAOYSA-N	528.082	2.947	0	40	KFAB	
CCN(CC)C(=O)CN1C(=O)[C@]2(N[C@@H](CC(C)C)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)c2ccccc21	19848809	HNCICGFNJFYBRP-GYMZGOSFSA-N	516.642	2.916	0	40	KFAB	
CC1(C)Cc2c(c(N3CCOCC3)nc3sc4c(SCC(=O)N5CCOCC5)ncnc4c23)CO1	20029576	DANRQBOTXVBIPZ-UHFFFAOYSA-N	515.661	2.878	0	40	KFAB	
COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2C)CC1	30870255	RBWZJJKEPMQUBK-UHFFFAOYSA-N	523.677	2.871	0	40	KFAB	
CCOC(=O)c1ccc(NC(=O)CSc2nnc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)s2)cc1	97961696	OJBDTFZYGNLHKF-UHFFFAOYSA-N	549.656	2.948	0	40	KFAB	
CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCN(C(=O)OCC)CC3)cc2)sc2c1CCN(C)C2	97963375	PZDNVRGXZYQRAG-UHFFFAOYSA-N	564.686	2.628	0	40	KFAB	
CCCCn1c(SCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(CC(=O)OC)c2=O)nnc1-c1ccc(OC)cc1	98050265	VGMWRHDEWQXEDI-UHFFFAOYSA-N	592.678	2.856	0	40	KFAB	
CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCCC3)cc2)CC1	103048660	YKROULGOVBJNOR-UHFFFAOYSA-N	576.741	2.981	0	40	KFAB	
COC(=O)Cn1c(=O)c(C(=O)CSc2nnc(-c3ccoc3C)n2-c2ccccc2)c(N)n(Cc2ccccc2)c1=O	103070114	NDKBMCPVRJXFGV-UHFFFAOYSA-N	586.630	2.938	0	40	KFAB	
O=C(NC(=S)Nc1ncccc1OC(=S)NC(=O)c1ccc2c(c1)OCCO2)c1ccc2c(c1)OCCO2	205414351	AWWNZPMJXAGYOA-UHFFFAOYSA-N	552.590	2.845	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1C	222784621	BQYBZGIAQKDTLA-UHFFFAOYSA-N	509.650	2.746	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)Nc1ccc(I)cc1	223348903	SJGPRYNRDLOVRF-UHFFFAOYSA-N	530.384	2.892	0	40	KFAB	
CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	225120550	FSIAPHBYPJWECQ-NRFANRHFSA-N	503.621	2.823	0	40	KFAB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-n3cnnc3)c2C)cc1NS(C)(=O)=O	225474610	NSIKRVPDCNUHKH-GOTSBHOMSA-N	538.659	2.960	0	40	KFAB	
COC(=O)[C@@H]1CN(C(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)c2ccccc2O1	226010131	LGCGKAVKQNCWNO-VWLOTQADSA-N	524.595	2.896	0	40	KFAB	
COc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1OC	260754914	RIIBEDTVSRVMOH-LJQANCHMSA-N	505.637	2.720	0	40	KFAB	
CCc1ccc(N(CC(=O)N(Cc2cccc(Br)c2)[C@H](C)C(=O)NC)S(C)(=O)=O)cc1	260765937	UMFTZSFGNNHJJK-MRXNPFEDSA-N	510.454	2.941	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/[C@@H]3C(=O)N(c4ccccc4)N=C3C)c(=O)n2[C@H]1c1ccccc1	409019667	VLETZKFDRQZLSS-ZJYQLDPDSA-N	500.580	2.789	0	40	KFAB	
CCOc1cc(CN2CC[C@@](O)(CN3CCN(c4ccccc4)CC3)C2)ccc1OCCN1CCOCC1	585272016	IMTCLRHCFBGSBR-SSEXGKCCSA-N	524.706	2.555	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OCCn3ccnc3C)c(OC)c2)C[C@](O)(COc2ccc(C)cc2)C1	585272313	MHHMGQUUIBBNQC-SSEXGKCCSA-N	552.672	2.688	0	40	KFAB	
COc1cc(C(=O)N2CCO[C@@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCOCC3)C2)ccn1	585287109	SXTACCKLHYPADO-VWLOTQADSA-N	503.983	2.591	0	40	KFAB	
CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)S(C)(=O)=O)cc1	20483112	IMSGEEJVHNENCD-UHFFFAOYSA-N	504.590	2.686	0	40	KFAB	
CN(C)[C@H](CNC(=O)c1cc(S(=O)(=O)NCCCN2CCCC2=O)ccc1Cl)c1ccccc1	25395406	SRDDOOLIBBRFAD-JOCHJYFZSA-N	507.056	2.664	0	40	KFAB	
COc1ccc(NC(=O)Cn2c3cc(=O)n(CCN4CCOCC4)c(C)c3c(=O)n2-c2nc3ccccc3s2)c(OC)c1	35982609	YLBHJPWBQWRVGZ-UHFFFAOYSA-N	604.689	2.860	0	40	KFAB	
COC(=O)c1ccc(N(C(=O)CNC(=O)c2ccco2)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(OC)c(OC)c2)cc1	38145969	AYDXLKZVIKXOTA-AJTFRIOCSA-N	579.606	2.883	0	40	KFAB	
COc1ccc(NC(=O)Cn2nc3n(Cc4ccc(F)cc4)c(=O)c4ccccc4n3c2=O)cc1OC	64580762	OUKQWRCCWARZOA-UHFFFAOYSA-N	503.490	2.654	0	40	KFAB	
COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(Cc2ccc3c(c2)OCO3)C(=O)CNC(=O)c2ccco2)cc1OC	100413028	XHDGESRBFGLGKE-KMRXNPHXSA-N	579.606	2.821	0	40	KFAB	
COCCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)sc2cc(S(C)(=O)=O)ccc21	100872771	LHGBEWUSDBKSBU-VHXPQNKSSA-N	537.685	2.668	0	40	KFAB	
CC(=O)c1ccc(N2CCN([C@@H]3CC(=O)N(c4ccc(I)cc4)C3=O)CC2)cc1	215725936	JDDAIUZTNIYFSI-HXUWFJFHSA-N	503.340	2.948	0	40	KFAB	
CNS(=O)(=O)c1ccc(C)c(NC(=O)COc2ccc(S(=O)(=O)N[C@H](C)c3ccccc3)cc2)c1	222646831	KDSDYTLFEOERGB-GOSISDBHSA-N	517.629	2.960	0	40	KFAB	
CCOCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(C)S(C)(=O)=O	223402260	OVXQXDJNVXDCBK-QHCPKHFHSA-N	510.056	2.844	0	40	KFAB	
CCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	224797648	POAFJUJLPSUHMK-INIZCTEOSA-N	510.012	2.778	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	225511639	GXOJCHGUCWOVLS-QHCPKHFHSA-N	523.611	2.567	0	40	KFAB	
C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)CN([C@H](CCC(N)=O)C(=O)O)C3=O	253388192	VGRPJNIVIGBNNK-KBKALLRUSA-N	514.619	2.974	0	40	KFAB	biogenic,in-vitro
COC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(O)c(OC)c3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC	408935380	DQFQYZHOIADARZ-LYFUXTGPSA-N	530.986	2.793	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(O)c(OC)c3)c(=O)n2[C@@H]1c1cccc(OC)c1	408990398	VOFFZZLCYVSZJL-FNUHDPNESA-N	510.568	2.530	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(F)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409032220	LSIBCGCQLWODHF-QDNAUZDWSA-N	554.596	2.888	0	40	KFAB	
COc1ccc(NC(=O)[C@H](OC(=O)c2ccc(Cl)cc2)[C@@H](OC(=O)c2ccc(Cl)cc2)C(=O)O)nn1	409376156	VGMGHSOOPYUBHF-RTBURBONSA-N	534.308	3.266	0	40	KFAB	
COc1cc(-c2nnc(COC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)o2)cc(OC)c1OC	3286661	JCQRCSPCAIGXIJ-UHFFFAOYSA-N	523.589	2.968	0	40	KFAB	
S=C1NCCOCCNC(=S)Nc2ccccc2OCCOCCOCCOc2ccccc2N1	4235231	GYTMYOOJAJWHMR-UHFFFAOYSA-N	520.677	2.781	0	40	KFAB	biogenic
COc1cc([C@@H](C(=O)NC(C)(C)C)N(Cc2cccs2)C(=O)c2snc(C(N)=O)c2N)ccc1O	6074824	QUUKOKXRZKRIHJ-SFHVURJKSA-N	517.633	2.898	0	40	KFAB	
O=C(NCC(=O)N(c1ccc2c(c1)OCO2)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccccc1)c1ccco1	12486656	MMUCMBJNWRLAIU-NBGIEHNGSA-N	505.527	2.808	0	40	KFAB	
CCCCn1c(SCC(=O)NCCc2ccc(OC)c(OC)c2)nc2cc(S(N)(=O)=O)ccc21	12542884	QXYZOXYMKFQYAA-UHFFFAOYSA-N	506.650	2.952	0	40	KFAB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1	12549742	XCHXRVMUDQDTEZ-QFIPXVFZSA-N	523.677	2.656	0	40	KFAB	
COc1ccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4ccccc4OC)CC3)c(=O)[nH]c2c1	19940444	FISFPXIUHLKKTA-QFQXNSOFSA-N	531.617	2.622	0	40	KFAB	
COc1cccc(NC(=O)CSc2nnc3n(C)c(=O)c4ccc(C(=O)NC5CCCC5)cc4n23)c1	33256823	NDYNAKBXCAUSFO-UHFFFAOYSA-N	506.588	2.993	0	40	KFAB	
O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1	59838633	BJPZLXPVPNMGHW-GOSISDBHSA-N	576.524	2.731	0	40	KFAB	
COC(=O)COC(=O)[C@H](Cc1ccc(OC(=O)COCc2ccccc2)cc1)NC(=O)COCc1ccccc1	113548150	RURKDMOGLQSIHH-SANMLTNESA-N	549.576	2.769	0	40	KFAB	
COC(=O)CSc1nnc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3)C2)s1	223239285	OMKOLTVNHPVZLS-ZDUSSCGKSA-N	505.043	2.637	0	40	KFAB	
CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	223925549	LTWFZQHLXXHSQJ-INIZCTEOSA-N	536.448	2.927	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(C)CC(=O)N2C[C@H](C(=O)NCCc3ccccc3)Oc3ccccc32)cc1	260822972	DIHPXTSHQULOEY-RUZDIDTESA-N	507.612	2.769	0	40	KFAB	
Cc1cnccc1C(=O)N1CCCCC2(CCN(Cc3ccccc3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1	643579153	UWRAMNPSUADKTN-IZZNHLLZSA-N	509.647	2.954	0	40	KFAB	
COc1ccc(-c2csc(NC(=O)COC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3F)n2)cc1	3302754	IDSKOADVDXMPKG-UHFFFAOYSA-N	535.575	2.774	0	40	KFAB	
COc1cc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)C2CCCC2)ccc1O	6906699	MHZBASQIOTVTQW-FQEVSTJZSA-N	501.609	2.723	0	40	KFAB	
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nc4ccc(S(N)(=O)=O)cc4s3)cc2)C1	9367546	GPPPCHYKLDVMTF-ZIAGYGMSSA-N	508.647	2.863	0	40	KFAB	
CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=S)N2CCN2CCOCC2)cc1	12469854	QBMDDSPIFSKUBJ-JOCHJYFZSA-N	510.616	2.526	0	40	KFAB	
COc1cn(CC(=O)Nc2ccc(NC(C)=O)cc2)c(CN2CCN(c3ccc(F)cc3)CC2)cc1=O	16890479	FENBSAHISYAGMD-UHFFFAOYSA-N	507.566	2.915	0	40	KFAB	
CCn1cc(C(=O)NCc2ccc(OC)cc2)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1	67338517	MFVGLLKCZCJZBS-UHFFFAOYSA-N	511.648	2.969	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC(=O)CN1C(=O)N[C@]2(C[C@@H](C)CC(C)(C)C2)C1=O	95567792	YTUHNNRCUNSYIW-MYUZEXMDSA-N	562.689	2.788	0	40	KFAB	
CO[C@@H]1[C@H](O)[C@H](O[C@@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)[C@@H](OC(C)=O)C[C@@]5(O)[C@@H]4CC[C@@H]3C2)O[C@H](C)[C@H]1O	118931132	UZQOZJNEDXAJEZ-NZIMTGIBSA-N	592.726	2.652	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCNS(=O)(=O)c3ccc(C)cc3)C2)cc1Cl	222604241	FOIHQGKTCSYJJZ-GOSISDBHSA-N	544.095	2.543	0	40	KFAB	
Cc1cccc(CN(C(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C)c1	224161080	UWTVZUZUQXOBSE-FQEVSTJZSA-N	517.648	2.722	0	40	KFAB	
CC(C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	224630123	OZFHOGBTLFWWRN-INIZCTEOSA-N	510.012	2.777	0	40	KFAB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N(C)Cc2nc(-c3cccc(Br)c3)no2)cc1	224979377	DZJDBYQCAVFZFE-UHFFFAOYSA-N	509.382	2.787	0	40	KFAB	
CS(=O)(=O)c1ccc(S(=O)(=O)NC(=O)[C@@H]2OCC(=O)N(Cc3cccc(Cl)c3)[C@@H]2c2ccccc2)cc1	257267617	MIBOUUWGZRFURL-DNQXCXABSA-N	563.053	2.717	0	40	KFAB	
CCOc1ccc(N(CC(=O)N(Cc2ccc(OC)cc2)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1	260751058	PLJILFFYYYLANP-LJQANCHMSA-N	505.637	2.802	0	40	KFAB	
CO[C@@H](Cc1ccc(-c2coc3cc(OC(=O)[C@@H](C)OC)cc(OC(=O)[C@@H](C)OC)c3c2=O)cc1)C(=O)O	263583697	UBHJPIKJBUVABO-HLFMIMNKSA-N	528.510	2.983	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)O)c(Br)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409030135	CNAXDSNNUJKMGI-VRMPQCFQSA-N	689.537	2.975	0	40	KFAB	
CC(=O)O[C@@H]1[C@@H](O[C@@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@H]([C@@]6(C)CC[C@@H](C(C)(C)O)O6)[C@@H](O)C[C@@]3(C)[C@@H]5C[C@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@@H]3O)[C@H]4C2(C)C)OC[C@@H](O)[C@H]1OC(C)=O	605854528	TZHGYWCJIXHMJK-NXSNPYHPSA-N	839.029	2.505	0	40	KFAB	
COCC(=O)N1CCCN(C)CCN(C(=O)c2noc(C)c2Cn2nc(C)cc2C)Cc2ccccc21	643554516	KWWQUSKDSZGIOQ-UHFFFAOYSA-N	508.623	2.802	0	40	KFAB	
O=C(c1cscn1)N1CCCCC2(CCN(Cc3ccccc3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1	643578585	ZFOLHKFBOMUABE-XZOQPEGZSA-N	501.649	2.707	0	40	KFAB	
O=C(Cc1cccnc1)N1CCCCC2(CCN(Cc3ccccc3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1	643578602	ZPWHELVQKCTANY-IZZNHLLZSA-N	509.647	2.574	0	40	KFAB	
COc1ccc(CCn2c3c(c(=O)[nH]c2=O)[C@@](NC(=O)c2ccc(Cl)cc2)(C(F)(F)F)C(=O)N3)cc1OC	2594057	XUEJLMHUAJFCOG-QHCPKHFHSA-N	552.893	2.590	0	40	KFAB	
Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)cc1	10369641	XHHMJFUKOLTSEC-UHFFFAOYSA-N	515.057	2.906	0	40	KFAB	
CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)NC1CCN(c2c(Cc3ccccc3)c(C)nc3ncnn23)CC1	13565717	WZKWBANLSARAAE-SANMLTNESA-N	529.620	2.995	0	40	KFAB	
CCOc1ccc(S(=O)(=O)NCCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1	14017279	XVOCTTBWLNLJFQ-UHFFFAOYSA-N	509.650	2.875	0	40	KFAB	
C[C@H](C(=O)NC1CCCCC1)N(C(=O)C[S@@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1	19941275	DJGRSENAYVJNIN-NNIOICJLSA-N	513.616	2.973	0	40	KFAB	
COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCCN4CCOCC4)CC(=O)N32)c1OC	20411846	PPQWQVTVDLSHNN-HOFKKMOUSA-N	518.614	2.592	0	40	KFAB	biogenic
Cc1cc(C)c2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2c1	22869773	NWOQGZKNKVUCJQ-DWACAAAGSA-N	557.655	2.946	0	40	KFAB	
Cn1c(CNC(=O)c2ccccc2Br)nnc1SCC(=O)Nc1cccc(C(=O)O)c1	72191506	PIYCYAXGHNGOOY-UHFFFAOYSA-N	504.366	2.937	0	40	KFAB	
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	100157128	LBHUIJRTHBBWHP-LFYXQWSISA-N	516.672	2.521	0	40	KFAB	biogenic,in-vitro
O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1	103017116	QXAPHYNFDCIHPB-UHFFFAOYSA-N	527.624	2.711	0	40	KFAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCOCC4)o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	104944977	KJISVQFJVAUHEJ-QAHUDSGCSA-N	566.680	2.550	0	40	KFAB	
COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1OC	224456320	SOOKOJQEGIQRFR-UHFFFAOYSA-N	525.649	2.528	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	224692722	WKHULKNCCMCYEN-LJQANCHMSA-N	503.621	2.823	0	40	KFAB	
CN1CCN(C(=O)CC2(COc3ccc(F)cc3)CCN(S(=O)(=O)c3cccc(F)c3)CC2)CC1	257208876	BNWQCYVRBVLKBV-UHFFFAOYSA-N	507.603	2.979	0	40	KFAB	
CS(=O)(=O)N(CC(=O)N1C[C@H](C(=O)NCCc2ccccc2)Oc2ccccc21)Cc1ccccc1	260833600	ZQFJKBCIIJNKDN-RUZDIDTESA-N	507.612	2.601	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCOc3ccc(S(=O)(=O)N4CCCCC4)cc3)C2)cc1	260885979	BVPAIYYXZYTVRL-QFIPXVFZSA-N	549.715	2.766	0	40	KFAB	
COC(=O)c1cc(NC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2C)cc(C(=O)OC)c1	408584894	WGIDWMRMMRKSED-UHFFFAOYSA-N	504.561	2.760	0	40	KFAB	
C[C@@H](C(=O)Nc1ccccc1C(=O)NCc1cccnc1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O	408704568	PRPYLZZZPJXLHL-KRWDZBQOSA-N	510.572	2.576	0	40	KFAB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(O)c(OCC)c3)c2=O)=N[C@@H]1c1ccc2c(c1)OCO2	408730571	IECGVNYRVZDSJV-GSOQPGDSSA-N	508.552	2.740	0	40	KFAB	
CCCOc1ccccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc4c(c3)OCO4)c(=O)n21	409014548	MWMCLIZLUIAZEY-XXMKCSCWSA-N	536.606	2.942	0	40	KFAB	
COC(=O)COc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc1Br	409237371	UBHDGHOUXRCBFZ-MHWRWJLKSA-N	518.320	2.541	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OC)c(OCCCn3cccn3)c2)C[C@@](O)(COc2ccc(F)c(F)c2)C1	585281268	XYXDXYPRTQLGSC-LJAQVGFWSA-N	574.625	2.740	0	40	KFAB	
CC(C)CN1CCOCCOc2ccc(C(=O)N3CCN(S(C)(=O)=O)CC3)cc2Cc2cccc(c2)C1	643580266	SIOWSITYDFLHKR-UHFFFAOYSA-N	529.703	2.862	0	40	KFAB	
Cc1nnc(-c2ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OC(C)(C)C)cc2)nn1	953052131	LPBGMUDQOZRJOU-UHFFFAOYSA-N	844.997	2.552	0	40	KFAB	
COc1ccc(CCN2C(=O)[C@H]3[C@H](C(=O)Nc4cc(C)on4)[C@]4(C)C=C[C@]3(O4)[C@H]2C(=O)NC(C)(C)C)cc1	12642607	NSDQYXOKVQAGLP-FGGSQMQVSA-N	522.602	2.628	0	40	KFAB	
COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(c3ccccc3)CC2)cc1OC	22246667	PIDZVNXKJQSYPC-DEOSSOPVSA-N	509.628	2.942	0	40	KFAB	
COc1ccc(Cl)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1	59838436	DYOYGBSWRVEBMJ-XMMPIXPASA-N	608.138	2.576	0	40	KFAB	
O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1	60061001	KTPQMNOLMAUVKK-NRFANRHFSA-N	543.671	2.891	0	40	KFAB	
C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN3C(=O)N[C@](C)(c4ccc(Br)cc4)C3=O)cc2)C[C@@H](C)O1	96019842	ZDEMMAZTIIRKBY-DQIAKBPPSA-N	579.473	2.653	0	40	KFAB	
COC(=O)[C@]12Oc3cc4c(c(O)c3C(=O)C1=C(O)CC[C@H]2O)[C@H]1C=C[C@@]2(C4)C(=O)c3cc(C)cc(O)c3C(O)=C2C1=O	100066786	KIWTVJVARRPBPR-LDQOINPGSA-N	572.522	2.791	0	40	KFAB	biogenic
COc1ccc(/C=C2/SC(=O)N(CCNC(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)C2=O)cc1OC	103025505	LELMMVZCQPKHML-UXHMZNKVSA-N	553.593	2.681	0	40	KFAB	
COc1ccc(CCN[C@H]2CC(=O)N(c3ccc(N4C(=O)C[C@@H](NCCc5ccc(OC)cc5)C4=O)cc3)C2=O)cc1	103128883	FVYSVRUQFYEDBP-HNRBIFIRSA-N	570.646	2.632	0	40	KFAB	
C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN3C(=O)N[C@@](C)(c4ccc(Br)cc4)C3=O)cc2)C[C@@H](C)O1	108978904	ZDEMMAZTIIRKBY-DXMSMQRWSA-N	579.473	2.653	0	40	KFAB	
CO[C@@H]1[C@H](O)[C@H](O[C@@H]2C[C@@H]3CC[C@@H]4[C@H](CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@@]45O)[C@@]3(C)[C@H](OC(C)=O)C2)O[C@H](C)[C@H]1O	118926881	NTCQLIABTKPIND-FMEOAQBGSA-N	592.726	2.652	0	40	KFAB	
COC(=O)[C@H]1CN(C(=O)COc2ccc(S(=O)(=O)NCc3ccccc3)cc2C)c2ccccc2O1	222776719	ZCWLPJZOMYHPTO-XMMPIXPASA-N	510.568	2.820	0	40	KFAB	
COCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1	222950562	JHGGTSWRJGCSLR-QFIPXVFZSA-N	545.702	2.982	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	223003087	KIZNOHKXVSGSGP-MRXNPFEDSA-N	556.479	2.786	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O	223051098	AHDOAFLVYONHDU-INIZCTEOSA-N	526.453	2.777	0	40	KFAB	
CCOc1ccc(N([C@@H](CC)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)cc1	224410358	PSQIMXXEIWFPQJ-VWLOTQADSA-N	567.730	3.000	0	40	KFAB	
CCOC(=O)[C@H]1[C@H](c2ccccc2Cl)[C@@H](C(=O)OCC)[C@@](O)(C(F)(F)F)N[C@@]1(O)C(F)(F)F	248341446	YZHONTVWWQWASA-ZSBSYDTGSA-N	507.811	2.887	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	260984036	ORGURGGEZSJOKA-MSOLQXFVSA-N	523.627	2.941	0	40	KFAB	
COC(=O)CN1C(=O)N/C(=C/c2cc(OC)c(OCC(=O)Nc3ccccc3)cc2Br)C1=O	408549228	RDOIICRRHZLWKC-LZYBPNLTSA-N	518.320	2.541	0	40	KFAB	
COc1cc(CN2CCN(C(C)=O)C[C@](O)(COc3ccc(F)cc3)C2)ccc1OCCn1cccn1	2037931661	BABAGUOIWIBBRS-MHZLTWQESA-N	512.582	2.584	0	40	KFAB	
CCN1CCc2c(sc(NC(=S)NC(=O)c3ccccc3I)c2C(N)=O)C1	2308015	WHONOMPQNOFWDL-UHFFFAOYSA-N	514.414	2.956	0	40	KFAB	
COc1ccc(C(=O)Nc2c(N)nc(SCC(=O)Nc3nc4ccccc4s3)[nH]c2=O)cc1OC	2712631	BHNPERQYPCIAMG-UHFFFAOYSA-N	512.573	2.962	0	40	KFAB	
COC(=O)c1cc(NC(=O)C[C@@H]2C(=O)N[C@H]3CCCC[C@H]3N2C(=O)NC2CCCCC2)cc(C(=O)OC)c1	14730291	NYAALBCKLNZTFN-BHDDXSALSA-N	528.606	2.742	0	40	KFAB	
O=C(CCCN1C(=O)c2ccccc2C1=O)N1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1	33526081	CIIAVBVNCGUKIJ-UHFFFAOYSA-N	524.577	2.656	0	40	KFAB	
Cc1cc(=O)oc2cc(NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(C)C)C(C)C)ccc12	71788391	LCXURRLYDBPUAM-DPZBCOQUSA-N	550.656	2.987	0	40	KFAB	
Cc1cc(=O)n2c3c(cc(S(=O)(=O)N4CCCN(S(=O)(=O)c5cc6c7c(c5)c(C)cc(=O)n7CCC6)CC4)cc13)CCC2	98009024	FZJJNXBIBSIKBI-UHFFFAOYSA-N	622.769	2.911	0	40	KFAB	
CCOC(=O)C1=C(CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2C2CCCC2)NC(=O)N[C@@H]1C	103067099	BJCURMHWMZWFAC-QGZVFWFLSA-N	590.728	2.692	0	40	KFAB	
Cn1c(N)c(C(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccco2)CCC3)c(=O)n(C)c1=O	103140533	CUUZRUJRGKUEMU-SQFISAMPSA-N	500.511	2.724	0	40	KFAB	
COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CN(S(C)(=O)=O)c4ccccc4O3)cc2)c1	139698338	CPSOEBAUHPOTFE-QHCPKHFHSA-N	547.611	2.670	0	40	KFAB	
O=C(O)c1ccc(N/N=C2/C(=O)c3c(cc(S(=O)(=O)O)cc3Nc3nc(Cl)nc(Cl)n3)C=C2S(=O)(=O)O)cc1	212558933	ZGJHXFUTRSDCSB-RWPZCVJISA-N	615.389	2.760	0	40	KFAB	
COc1ccc(CNC(=O)[C@@H](C)N(Cc2ccc(F)cc2)C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	222855815	ZCNJGWZTDDNUIG-JOCHJYFZSA-N	599.681	2.968	0	40	KFAB	
COc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)cc1	260799664	QEWUVJMXLDNYSD-LJQANCHMSA-N	517.648	2.946	0	40	KFAB	
COc1cccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C4/C(=O)N(C)c5ccccc54)c(=O)n32)c1	409120566	UHEVVYLKQODALY-HOGKFDNTSA-N	503.580	2.542	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCCC4)cc3)c(=O)n2[C@H]1c1ccccc1OC	409156630	LFNAULXAXYLWJP-OXIKZWMZSA-N	561.660	2.808	0	40	KFAB	
CS(=O)(=O)N(CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc(Cl)cc1Cl	409411113	CIINQJMYXLHYBN-UHFFFAOYSA-N	500.404	2.833	0	40	KFAB	
COc1cc(CN(C)C[C@@]2(O)CCN(c3cc(N(C)C)ncn3)C2)ccc1OCCN1CCC(C)CC1	585272128	JANNHPVETMVPKM-NDEPHWFRSA-N	512.699	2.735	0	40	KFAB	
CC(C)[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCc2ccc(F)cc2)CCC(=O)N[C@H](C(C)C)C(=O)N1	643564870	KSCMWIFJWZGALF-CLCZQPDDSA-N	554.663	2.737	0	40	KFAB	
O=C1C[C@@H](C(=O)NCCc2ccc(F)cc2)NC(=O)c2ccccc2OC[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N1	643567117	SDJJHSIQCVFDPK-PKXQUSJVSA-N	586.664	2.784	0	40	KFAB	
CC(C)CCN1CCC2(CCOc3cc(C(C)C)ccc3S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)N2)CC1	1548889913	LTCLZHATAHOILP-YADHBBJMSA-N	507.697	2.713	0	40	KFAB	
COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccccc2NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1C	6144778	URDBFIIDDHSQGR-CQSZACIVSA-N	540.554	2.817	0	40	KFAB	
CCOc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(OC)c2)cc1	6601698	ZASYEWUHLKVCLW-NZQKXSOJSA-N	553.641	2.915	0	40	KFAB	
COc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCC(=O)Nc4ccccc4C)nn23)cc1	8589466	BIFKJPNPNORLHJ-UHFFFAOYSA-N	512.617	2.693	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NS(=O)(=O)c1ccc(OC)c(N2CCCC2=O)c1	20492364	ICXPNISQLHNMJW-UHFFFAOYSA-N	523.633	2.806	0	40	KFAB	
COc1ccc2oc(C(=O)OCC(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3C)c(C)c2c1	23079648	LCDMZYGVEXIZLO-UHFFFAOYSA-N	502.545	2.875	0	40	KFAB	
O=C(CCNC(=O)c1ccc(Br)cc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1	24716124	MNRBKPUMFTXLFO-UHFFFAOYSA-N	504.366	2.799	0	40	KFAB	
Cc1ccccc1OC[C@H](O)CN1C(=O)N(CN2C(=O)N(C[C@@H](O)COc3ccccc3C)C(=O)C2(C)C)C(C)(C)C1=O	33354112	QAVMYFNFNRQDTH-DHIUTWEWSA-N	596.681	2.526	0	40	KFAB	
C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1Cc1sc(NC(=O)c3cccc(F)c3)nc1[C@H]2CC(=O)NCCN1CCOCC1	35958788	DVRZXXLGZCDBSP-RUMONJKUSA-N	574.719	2.789	0	40	KFAB	biogenic,in-vitro
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O	44838691	BRPUYIQDHOACTG-UHFFFAOYSA-N	502.014	2.538	0	40	KFAB	
O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl	60060590	FNOIRWQKGWEVIZ-UHFFFAOYSA-N	537.019	2.809	0	40	KFAB	
O=C(NCCNC(=O)/C(=C/c1cccnc1)NC(=O)c1ccccc1)/C(=C/c1cccnc1)NC(=O)c1ccccc1	97966361	YHDWKZUMFLDCBX-RSSRHXQMSA-N	560.614	2.951	0	40	KFAB	
CN(C)S(=O)(=O)c1cc(NC(=O)COC(=O)[C@@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)ccc1Cl	103067941	UVIJDZIABIWITF-MBSDFSHPSA-N	556.037	2.802	0	40	KFAB	
CC(=O)N[C@H]1[C@H](Oc2cccc(Nc3nc(-c4ccc(C)cc4)nc4ccccc34)c2)O[C@@H](CO)[C@@H](O)[C@H]1O	103677691	DTQGGFOPSZLQAV-MQYJMQNVSA-N	530.581	2.671	0	40	KFAB	
O=C(Nc1ccc(F)c(F)c1)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	112247386	UUVSCGQTZIPJBV-QFIPXVFZSA-N	521.567	2.667	0	40	KFAB	
CCc1ccccc1N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccccc1	224435463	VCVAEXQZSJZEOU-UHFFFAOYSA-N	587.720	2.660	0	40	KFAB	
COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)c2nnc(NC(=O)c3ccccc3Cl)s2)c1	225518162	HASHNJBYKHIHEU-UHFFFAOYSA-N	510.937	2.818	0	40	KFAB	
CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O	225690329	WTVZKCQMWXDSBH-GOSISDBHSA-N	503.596	2.940	0	40	KFAB	
COC(=O)[C@]1(Cc2ccc(O)cc2)N[C@H](c2cccs2)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21	245230499	SWAGACNLJXQZTJ-QSGNWFJVSA-N	520.563	2.830	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NC(C)C)c1ccc2c(c1)OCCO2	260704250	AGGZHTQYJDUDNC-LJQANCHMSA-N	503.621	2.556	0	40	KFAB	
COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NCCC(C)C)cc1	260725355	UWUBQLOFCPVLBK-XMMPIXPASA-N	503.665	2.689	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	261049389	ZTCIOSCRTMIYHY-MSOLQXFVSA-N	521.611	2.695	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\Nc3cccc(C(=O)O)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	408876078	JEIIMHRIXKPBFS-VLOXRPPESA-N	523.567	2.535	0	40	KFAB	
COc1ccc(NC(=O)[C@H](OC(=O)c2ccccc2Cl)[C@H](OC(=O)c2ccccc2Cl)C(=O)O)nn1	409382858	WRFWBVTVVPFUPI-MOPGFXCFSA-N	534.308	3.266	0	40	KFAB	
COc1ccc(CC(=O)N2CCCN(C(C)C)CCN(C(=O)CNS(C)(=O)=O)Cc3cccc(C)c32)cc1	643566172	BQIWCDAPLIUOQX-UHFFFAOYSA-N	544.718	2.571	0	40	KFAB	
Cc1cccc(-n2nc3c(c2NC(=O)c2ccc(S(=O)(=O)N4CCOCC4)cc2)C[S@](=O)C3)c1C	6208153	WDWNBEHJCQNBBC-UUWRZZSWSA-N	514.629	2.525	0	40	KFAB	
Cc1ccc(C(OC[C@@H]2O[C@@H](n3ncc(N)nc3=O)[C@@H](O)[C@@H]2O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1	8740118	WINPBGKQLPWUPD-BRKVKBHOSA-N	528.609	2.774	0	40	KFAB	
NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(S(=O)(=O)C(F)(F)F)c1	72132268	WDHCLDUKGHLEOU-MRXNPFEDSA-N	553.650	2.923	0	40	KFAB	in-vitro
CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O	222605802	AGXVZKWINRPUDR-AWEZNQCLSA-N	500.390	2.518	0	40	KFAB	
CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC[C@H]2CCCO2)cc1	222717268	UYSWHMOCCBCZMD-NFBKMPQASA-N	501.649	2.630	0	40	KFAB	
CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223498960	LJDLEZDJYPRANK-QFIPXVFZSA-N	517.648	2.600	0	40	KFAB	
CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	225061685	ZNBOBYIYBQOAEH-IBGZPJMESA-N	503.621	2.557	0	40	KFAB	
CN(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NCc1ccncc1)S(C)(=O)=O	260714552	CZEBRULOAYHAHM-XMMPIXPASA-N	529.062	2.883	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	261060331	NOJYKIGKQVJLDY-ROUUACIJSA-N	510.607	2.910	0	40	KFAB	
CC(C)(C)NC(=O)[C@@H](c1ccc(F)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)c1snc(C(N)=O)c1N	6074504	WNTUUZFJHBXKCN-HXUWFJFHSA-N	527.578	2.990	0	40	KFAB	
CC(=O)c1ccc(NC(=O)CSc2nc(N)c(NC(=O)c3ccc(Br)o3)c(=O)[nH]2)cc1	9518242	ZXBCTUUDNLFLPB-UHFFFAOYSA-N	506.338	2.893	0	40	KFAB	
Cc1ccccc1-c1nn2c(=O)cc(CN3CCN(S(=O)(=O)c4cc(F)ccc4F)CC3)nc2s1	41077583	VTWCJGMIHCGSMR-UHFFFAOYSA-N	517.583	2.911	0	40	KFAB	
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cc(OC)ccc3OC)S(C)(=O)=O)cc2)cc1	59882664	RYYYGLZBZCWODT-UHFFFAOYSA-N	549.627	2.918	0	40	KFAB	
COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@@H](CC(N)=O)N[C@]12C(=O)Nc1ccc(Br)cc12	64164095	QXHHTWPQPJNDRS-VUCVNMQBSA-N	507.772	2.751	0	40	KFAB	
C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)N[C@H](CC(=O)O)C(=O)O)C(C)C)CC[C@]4(C)[C@@H]3CC[C@@]21C	70673291	WYUHHNBNAWYJMG-CJAHSVHJSA-N	599.725	2.871	0	40	KFAB	
COCCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)sc2cc(OC)ccc21	100873148	RRHBSIPADBFEEM-CGZGMLGNSA-N	519.645	2.897	0	40	KFAB	
CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2cc(Br)cc(Br)c2O)c1	102928005	HQFSUSUHZQPCCK-UHFFFAOYSA-N	536.198	2.963	0	40	KFAB	
COc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)C(c2ccccc2)c2ccccc2)C1	138737209	IUYRSZBDBSDIMY-NRFANRHFSA-N	501.539	2.889	0	40	KFAB	
CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	222624135	IHTWQPMPIQDUDV-OAQYLSRUSA-N	523.627	2.941	0	40	KFAB	
COc1ccc(S(=O)(=O)NCc2nc(-c3ccc(OC)c(OC)c3)no2)cc1I	223588819	PDNHYCGQGLJQAN-UHFFFAOYSA-N	531.328	2.846	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)N(C)Cc1nc(-c2cccc(C)c2)no1	223729621	OUVXSLWZXHVCHT-UHFFFAOYSA-N	514.604	2.666	0	40	KFAB	
COc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c(OC)c1	224064271	LCLYBCZEVJCOAF-KRWDZBQOSA-N	523.627	2.941	0	40	KFAB	
Cc1cccc(N(CCCC(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)c1C	224336468	BRBJLWQKTCFWFF-UHFFFAOYSA-N	537.704	2.829	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C)cc1	224464590	URTXTBQCQQRPFP-IBGZPJMESA-N	535.663	2.668	0	40	KFAB	
CC[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O	224486116	DMCZOUTXSLRRSE-QFIPXVFZSA-N	594.539	2.754	0	40	KFAB	
COc1ccc(OC)c(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)c1	225581664	RFIDTJPKJICKEI-KRWDZBQOSA-N	509.600	2.551	0	40	KFAB	
CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	225706906	AUOLOYOXVSSIAD-NRFANRHFSA-N	505.637	2.802	0	40	KFAB	
CN1CCN(C(=O)C[C@H]2CN(C(=O)CCCc3cn[nH]c3)CC[C@@H]2Oc2cccc(Br)c2)CC1	257236649	HDCAAJYRGSCYGZ-REWPJTCUSA-N	532.483	2.955	0	40	KFAB	
Cc1ccc(CN(C(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)[C@H](C)C(=O)NC(C)(C)C)cc1	260904746	FDROBFCOAQRAQF-LJQANCHMSA-N	517.648	2.864	0	40	KFAB	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(OC)c3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC	408934641	CSKSYZDGRFEWKC-BYHQVZLYSA-N	500.960	2.784	0	40	KFAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCC(=O)O)c3)c(=O)n2[C@@H]1c1ccccc1OC	409103458	WOVGKWKNAXKGAC-WNRWPCNTSA-N	535.622	2.576	0	40	KFAB	
CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)c(Br)c(Br)c1OCC(N)=O	409402560	WSDDQNPWSSNTBO-SDQBBNPISA-N	601.204	2.947	0	40	KFAB	
CC(C)(C)CC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4ccncc4)C[C@H]3C(=O)NC[C@H]1O2	514287376	MVSDLUPQOFBYRV-JGDRUYDSSA-N	577.726	2.776	0	40	KFAB	
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCCC(=O)NCCN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)[C@H]21	524729884	NCVOYIGNLDGRLL-WPLOMWCUSA-N	611.699	2.996	0	40	KFAB	biogenic
COc1ccc(CC(=O)Nc2nc3c(s2)C[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]3CC(=O)N2CCN(C(C)=O)CC2)cc1	4222331	XEMBNNYMFSWVJK-IAKJNDNSSA-N	598.766	2.829	0	40	KFAB	biogenic,in-vitro
COc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCC3)c3cnc4ccccc4c3)n2)cc1OC	6162849	JNQKIDZZWLMDTH-UHFFFAOYSA-N	515.574	2.998	0	40	KFAB	
CSc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1C(=O)N1CCOCC1	26117875	DCAPRWDCIDDCBG-QGZVFWFLSA-N	519.645	2.591	0	40	KFAB	
COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2F)cc1OC	100309830	NBCIOPNXLVFAMA-OYHNWAKOSA-N	557.604	2.664	0	40	KFAB	
COc1cc([C@H]2c3cc4c(cc3[C@H](O[C@H]3O[C@H]5CO[C@H](c6ccccc6)O[C@@H]5[C@@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC	150472757	SBPPWJIDARICBS-METZZZMDSA-N	664.660	2.994	0	40	KFAB	
CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc(I)c1OCC(=O)O	205853749	AVAKHMVLNXHMCG-OQLLNIDSSA-N	560.366	2.812	0	40	KFAB	
CCNS(=O)(=O)c1cc(C(=O)N2C[C@H](C(=O)NCCc3ccccc3)Oc3ccccc32)ccc1OC	222913798	NUQCQJAPHAXEJC-XMMPIXPASA-N	523.611	2.760	0	40	KFAB	
COC(=O)[C@H]1CN(C(=O)c2ccc(OC)c(S(=O)(=O)NCCc3ccccc3)c2)c2ccccc2O1	222929576	ZOGKDLRZVKTWMB-HSZRJFAPSA-N	510.568	2.797	0	40	KFAB	
CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223235643	BHYVKWMNBNVTFC-NRFANRHFSA-N	521.611	2.697	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	223455598	QDGBTCXZMQVIHT-LJQANCHMSA-N	522.643	2.781	0	40	KFAB	
CC[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O	224316443	UDHCLQPSYGGWQD-QFIPXVFZSA-N	544.095	2.864	0	40	KFAB	
COC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3O)c(=O)n2[C@H]1c1cc(Cl)ccc1OC	408945904	OHBZMWJZKJYPLL-JYWRCUDFSA-N	500.960	2.784	0	40	KFAB	
CCCC1=C(C(=O)OCC)[C@@H](c2ccc3c(c2)OCO3)n2c(s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)c2=O)=N1	409156517	ODDFQTAEHVSIGR-CWPZDHDOSA-N	649.722	2.553	0	40	KFAB	
COC(=O)c1cccc(NC(=O)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)O)c1	409387186	OEYYLTPWAQDSAP-SVBPBHIXSA-N	667.576	2.815	0	40	KFAB	
CC(C)C[C@H]1C(=O)NCCOc2ccccc2C(=O)N[C@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)CCC(=O)N1C	643577991	LVRBCYJIYZYXFC-SVBPBHIXSA-N	610.727	2.951	0	40	KFAB	
CN(C)c1cccc(C(=O)N2CCCCC3(CCN(Cc4ccccn4)CC3)C(=O)OC[C@@H](O)[C@@H](O)CC2)c1	643580407	GUJLOXSJFFGRJK-RRPNLBNLSA-N	538.689	2.711	0	40	KFAB	
Cc1ccc(OCCN(C)C(=O)[C@@H]2CCC(=O)N[C@@H](CC(C)C)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1	643580485	MUUWASDLHROKBM-UIOOFZCWSA-N	566.699	2.793	0	40	KFAB	
COCCN(C(=O)CSc1nc(-c2ccc(F)cc2)cs1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	13165264	GDNWTFGGRVPCQP-UHFFFAOYSA-N	507.613	2.809	0	40	KFAB	
Cc1cc(C(=O)COC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c(C)n1C[C@H]1CCCO1	14197888	VZLULTCLBBDUEJ-HXUWFJFHSA-N	513.616	2.871	0	40	KFAB	
COC(=O)[C@@]1(CCSC)N[C@@H](c2ccc(F)cc2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21	19592399	CITAGPGHBLMFIZ-UKDJSQQHSA-N	500.548	2.712	0	40	KFAB	
COc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)S(C)(=O)=O)cc1	22516409	OSWYGZJPBJSTEN-MRXNPFEDSA-N	504.590	2.684	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O	222862717	QGVAUCSKYUCTAF-RUZDIDTESA-N	539.654	2.856	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O	223485018	QBVQXHVMCJKLDG-LJQANCHMSA-N	505.637	2.803	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCN(Cc2ccccc2Cl)CC1	224478452	XYDNZSYFVJLVQA-UHFFFAOYSA-N	522.067	2.768	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O	225392679	GCWDVXVXTAMTKT-RTBURBONSA-N	505.637	2.802	0	40	KFAB	
S=C(NCC1(c2ccc(Cl)cc2)CCOCC1)Nc1nc(N2CCOCC2)cc(N2CCOCC2)n1	225995445	QUTYDJILJXKJQH-UHFFFAOYSA-N	533.098	2.838	0	40	KFAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)O)cc3)c(=O)n2[C@H]1c1ccccc1OC	409104840	IRYBYFRQAJODRN-DIXABZHVSA-N	535.622	2.576	0	40	KFAB	
CN1C(=O)C2(CC2)NC(=O)CC[C@@H](C(=O)NCCCCN2CCCC2)NC(=O)c2ccccc2OC[C@@H]1Cc1ccccc1	643570085	JAYNURLSIBXIOE-XCZPVHLTSA-N	603.764	2.668	0	40	KFAB	
CC(C)[C@H](O)c1nc2ccccc2c(=O)n1[C@@H]1C[C@@]2(OC1=O)c1ccccc1N1C(=O)C(C)(C)N(O)[C@@H]12	1775964160	UWJPYPZTQNRUNI-KLGADWMXSA-N	504.543	2.626	0	40	KFAB	biogenic,in-vitro
O=C1N[C@H]2CCN(C(=O)CCCn3ccnc3)C[C@H]2CC=CCC2(CCOCC2)C(=O)N[C@@H]1Cc1ccccc1	2037957023	QAMMCOFQDDINSU-KWXIBIRDSA-N	547.700	2.871	0	40	KFAB	
O=C(N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccco1)c1ccc(Cl)cc1Cl	2233761	SPMSQIMLZOOLPG-GOSISDBHSA-N	503.220	2.624	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCO4)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	8438675	BFCOVXKTVBRALI-IZBTWGKQSA-N	522.579	2.934	0	40	KFAB	
COCCNC(=O)[C@@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)cc1C	12467353	ALJORNYWGHYQOD-OAQYLSRUSA-N	511.604	2.600	0	40	KFAB	
CC(C)CN1C[C@H](OCc2cccc(F)c2)CN(C(=O)c2ccccc2N2CCC(=O)NC2=O)CC1=O	14531038	YIYUSCHJZZXMBX-NRFANRHFSA-N	510.566	2.798	0	40	KFAB	
COc1ccc([C@@H](C(=O)NCCC(C)C)N(CCN2CCOCC2)C(=O)Cn2nnc3ccccc32)c(OC)c1	17433855	FMQGLNCGUHFBQH-NDEPHWFRSA-N	552.676	2.513	0	40	KFAB	
COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1	59838362	ICRXBDMQRDXSMP-RUZDIDTESA-N	571.721	2.994	0	40	KFAB	
COc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)S(C)(=O)=O)cc1	60060172	UWOYNRRLZUEJSV-QGZVFWFLSA-N	533.632	2.696	0	40	KFAB	
COc1ccc([C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4C[C@H]([C@H]5C(=O)N(CCCC(=O)O)C(=O)[C@H]45)[C@H]23)cc1OC	100922167	OYHUVFMUVOPDKA-YZTHKVPGSA-N	530.624	2.792	0	40	KFAB	
CN(C)S(=O)(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)CC1	113619666	UPMDUUSWDLHNTM-UHFFFAOYSA-N	545.481	2.707	0	40	KFAB	
COc1ccc2c3c4n(c2c1)[C@H](C=C(C)C)OOC(C)(C)C[C@H]4N1C(=O)[C@H]2CCCN2C(=O)[C@@]1(O)[C@@H]3O	169669804	LRXYHMMJJCTUMY-VGNGTMRHSA-N	511.575	2.855	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(=O)c(-c4ccccc4)coc3c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	170621369	IKJNNQJEFRCUHB-UOANIGEWSA-N	568.531	2.922	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	222652134	FEFKZPIPFYXFPP-AWEZNQCLSA-N	532.446	2.940	0	40	KFAB	
COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)[C@H](C(=O)NCCO)c2ccccc2)cc1	223533570	AVPATGIJNKSMKM-LJAQVGFWSA-N	565.692	2.947	0	40	KFAB	
CCOc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)S(=O)(=O)c2ccccc2)cc1	224203244	AQQGOTNQMNSGSD-UHFFFAOYSA-N	561.682	2.726	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	225368355	YJYLHDNBCAFFDQ-RTBURBONSA-N	533.647	2.912	0	40	KFAB	
O=S1(=O)NC[C@H](O)CN(Cc2ccccc2F)C[C@]2(COc3cc(-c4ccccc4F)ccc31)C[C@H](O)[C@H](O)C2	253394155	AMLOXSFOFAMPOZ-PIENVQBSSA-N	574.646	2.668	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1cccc(Br)c1)[C@H](C)C(=O)NC)c1ccc2c(c1)OCCO2	260762210	OVXSLLZCWAGDMT-MRXNPFEDSA-N	554.463	2.540	0	40	KFAB	
Cc1ccccc1CN(C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C)[C@H](C)C(=O)NCC(C)C	260924031	UWSPTCLREIRTJE-HXUWFJFHSA-N	506.644	2.936	0	40	KFAB	
CCOC(=O)c1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1	408679142	CFLOICWDAPLRCE-MSQQIKOBSA-N	516.550	2.763	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3C)OCO4)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1	408985833	NOWKNIUXFKHHBA-DKOMQPSQSA-N	552.605	2.861	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3/C(=O)N(C)c4ccccc43)c(=O)n2[C@@H]1c1cc(Br)ccc1OC	409117905	PLWUQSRESVUSML-JBCNATCCSA-N	568.449	2.916	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)O)cc3)c(=O)n2[C@H]1c1ccc(SC)cc1	2049560	RAHUOJTWCHPLKH-BXDIUNCMSA-N	524.620	2.984	0	40	KFAB	
CCCN1C(=O)/C(=c2\sc3n(c2=O)[C@@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(C)N=3)c2ccccc21	2063877	TYLWURIRPNTBAS-MYXKAAJQSA-N	547.633	2.942	0	40	KFAB	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)c3cc(C)n(CCOC)c3C)n2N)c1	3382587	SUXJSEXBOYNYOK-UHFFFAOYSA-N	520.681	2.729	0	40	KFAB	
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O	15327416	BTWZTRBNLFITHB-HHHXNRCGSA-N	526.590	2.735	0	40	KFAB	
O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1	20481719	NSYFPFZADQWQCE-MRXNPFEDSA-N	506.631	2.983	0	40	KFAB	
CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N1CCOCC1)c1ccc(C)nc1C	84727380	UWHCWRQFNKUYCG-QUZACWSFSA-N	518.658	2.755	0	40	KFAB	investigational
CCC(=O)O[C@@H]1[C@@H](N(C)C)C[C@@H](C)O[C@@H]1O[C@@H]1[C@@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[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@]1(C)O	85867672	TYQXKHPOXXXCTP-OYCDFSIDSA-N	790.001	2.747	0	40	KFAB	
O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1	97983652	IJJFIWYSTBNJTB-UHFFFAOYSA-N	546.649	2.678	0	40	KFAB	
CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)OCC(=O)Nc1ccc(OC(F)(F)F)cc1	102777927	ITRVXLIKELBLLT-FQEVSTJZSA-N	532.493	2.841	0	40	KFAB	
COc1cccc(CN(C(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)[C@H](C)C(=O)NC(C)(C)C)c1	223052643	SXIZDTKPQZNCGR-GOSISDBHSA-N	515.632	2.952	0	40	KFAB	
CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	224089078	SFDYEXCXQIZORD-FQEVSTJZSA-N	517.648	2.600	0	40	KFAB	
CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	224832771	QQLKXXXMPKGSHO-INIZCTEOSA-N	510.012	2.778	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1ccccc1C)[C@@H](C)C(=O)NC(C)C)c1ccc2c(c1)OCCO2	225489425	MIUWQYSRJOMBJW-FQEVSTJZSA-N	517.648	2.864	0	40	KFAB	
CCOC(=O)N1CCN(C(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)CC1	409003217	FMOYVHUMNKSVKQ-UHFFFAOYSA-N	538.464	2.983	0	40	KFAB	
COC(=O)C[C@H](c1cc2cc3c(cc2nc1O)OCCO3)c1c(O)cc(C)n(CCc2cnc[nH]2)c1=O	604418457	GPFHUGMHOVJBLW-QGZVFWFLSA-N	506.515	2.548	0	40	KFAB	
C[C@H]1CN(C2CCN(S(=O)(=O)c3cn(C)cn3)CC2)CCN1c1ncc(C(F)(F)F)cc1Cl	618256946	OQGCYBYKUMZJRG-AWEZNQCLSA-N	506.982	2.851	0	40	KFAB	
O=C1NC(=O)[C@]2(Cc3c(nc4ccccn4c3=O)N3CCCCC[C@H]32)C(=O)N1Cc1ccccc1Cl	2437908	ZQLAGGCXZCOZRF-AFMDSPMNSA-N	505.962	2.918	0	40	KFAB	
C[C@H](C(=O)OCC(=O)Nc1ccccc1)N1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccccc3)cc2C1=O	6166167	UUMFUJHVEFEZMQ-QGZVFWFLSA-N	529.505	2.649	0	40	KFAB	
O[C@@H](COc1ccc(OC[C@H](O)CN2CCN(c3ccccc3)CC2)cc1)CN1CCN(c2ccccc2)CC1	6446556	YFOLNQOMGGEODG-LOYHVIPDSA-N	546.712	2.810	0	40	KFAB	
COc1cc(/C=C\C(=O)N2CCN(c3ncnc4c3nnn4Cc3ccccc3)CC2)cc(OC)c1OC	10256477	KUVYYTGDHRAKPZ-KTKRTIGZSA-N	515.574	2.657	0	40	KFAB	
CC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)NC1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1	13565701	IWQWLAOQWLVELW-FQEVSTJZSA-N	515.529	2.861	0	40	KFAB	
COC(=O)C1=C(C(=O)OC)[C@@H]2c3cccc4cccc(c34)[C@]2(N2CCCC2)C(C(=O)OC)=C1C(=O)OC	19923657	LPTCPUXFVDNFRI-RBISFHTESA-N	505.523	2.527	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)c1cc(C)n(C[C@H]2CCCO2)c1C	25397059	IRHWSLBIONOMJZ-HXUWFJFHSA-N	504.605	2.653	0	40	KFAB	
COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O	30860769	LLJIDTMOFUAICR-UHFFFAOYSA-N	507.993	2.579	0	40	KFAB	
COc1ccc(NC(=O)CN(C)C(=O)c2cccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)c2)cc1	38140305	GKFAYAHJIXXDLF-UHFFFAOYSA-N	536.654	2.912	0	40	KFAB	
O=C1c2c(O)cc(O)cc2O[C@]12c1c(cc(O)c3c1O[C@H](c1ccc(O)cc1)[C@@H](O)C3)O[C@@]2(O)c1ccc(O)cc1	67912387	PAUVEHXCLNBAPG-KAXVLVORSA-N	558.495	2.960	0	40	KFAB	biogenic,in-vitro
COC(=O)[C@H]1O[C@H](OS(C)(=O)=O)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1	138781311	KYVGRCQMYCSHFD-LDJGUTQZSA-N	598.582	2.537	0	40	KFAB	in-vitro
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3Br)S(C)(=O)=O)cc2)n1	215918084	MLZHWMOJCQYGKI-UHFFFAOYSA-N	554.448	2.753	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O	222508062	FZHGCSNPRSSVOC-CQSZACIVSA-N	502.420	2.931	0	40	KFAB	
CCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	224294348	JKWFELPWMWSOTR-FQEVSTJZSA-N	524.039	2.821	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1	224396234	GUXYBJYKRYHLLQ-UHFFFAOYSA-N	549.715	2.598	0	40	KFAB	
COC(=O)c1ccc(Cl)c(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1	224418611	QGXOAZNXRRRVCT-UHFFFAOYSA-N	517.025	2.659	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCOc3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2)cc1	224425273	UBDPCEKCKOJPSE-UHFFFAOYSA-N	549.715	2.766	0	40	KFAB	
CCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O	224547936	WDWDRMUBNWNXSN-NRFANRHFSA-N	501.605	2.563	0	40	KFAB	
CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	224551116	TVIDQSSGOOCRMU-HSZRJFAPSA-N	547.674	2.956	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)NCc1cccc(CN2CCOCC2)c1	224754110	GZCXCRBATCVLPW-UHFFFAOYSA-N	515.676	2.951	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O	225491747	ABNQZULNVOSTTB-HNNXBMFYSA-N	522.421	2.537	0	40	KFAB	
O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1	226086024	VBFSDYIQORODDN-UHFFFAOYSA-N	549.715	2.820	0	40	KFAB	
CC(=O)O[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](CC[C@H]6[C@H]5C[C@@H](O)[C@]5(C)[C@H](C7=CC(=O)OC7)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@H]1O	257440278	HWKJSYYYURVNQU-JVMCKRSXSA-N	822.986	2.789	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1cccc(OC)c1)[C@H](C)C(=O)NC(C)C)c1ccc2c(c1)OCO2	260757837	SEDALAFIEWZAAY-GOSISDBHSA-N	519.620	2.522	0	40	KFAB	
COC(=O)c1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(Cl)c3)CC2)cc(C(=O)OC)c1	408585282	YMAAAPXNONRFEI-UHFFFAOYSA-N	524.979	2.961	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409029469	AEJGSLGPYUWHQT-SCRHHBKZSA-N	566.632	2.757	0	40	KFAB	
CCc1ccc(O[C@@H](C)C(=O)NCc2nnc(SCC(=O)N3CCN(c4ccccc4)CC3)n2C)cc1	409162707	HDHZJHZEHCQIBS-FQEVSTJZSA-N	522.675	2.902	0	40	KFAB	
C[C@H]1COCCCCC2(CCN(C(=O)c3cc(-c4ccc(F)cc4)nn3C)CC2)C(=O)N[C@@H](C)C(=O)N1	643564080	FKHMDBUKNGGXJW-OALUTQOASA-N	513.614	2.659	0	40	KFAB	
O=C(Cc1ccc2c(c1)CN(Cc1ccccc1)CC(=O)NCCCCCO2)NCCS(=O)(=O)N1CCCCC1	643571716	RHFBSHZBAJJZPE-UHFFFAOYSA-N	570.756	2.842	0	40	KFAB	
O=C(OCc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1	2640194	NWBRRCARNGTKJJ-UHFFFAOYSA-N	542.635	2.816	0	40	KFAB	
O=S(=O)(NCCSc1nnc(SCCNS(=O)(=O)c2ccccc2)s1)c1ccccc1	3178144	SNOXMDNZYSTMAX-UHFFFAOYSA-N	516.717	2.679	0	40	KFAB	
COc1ccc(CNC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)c2)cc1	12623497	KRMLHWIYIGEALR-UHFFFAOYSA-N	523.611	2.679	0	40	KFAB	
COCCn1c(SCC(=O)Nc2oc(C)c3c(C)n[nH]c(=O)c23)nc2sc3c(c2c1=O)CCC3	32745339	MKPXXEGUQORECG-UHFFFAOYSA-N	501.590	2.770	0	40	KFAB	
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	85902263	TYQXKHPOXXXCTP-ZMXOTSETSA-N	790.001	2.747	0	40	KFAB	biogenic
CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2c1CCN(C(=O)OCC)C2	97963554	IVTKGEZHMZQTJR-UHFFFAOYSA-N	551.643	2.713	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@@H](C(=O)NC(C)(C)C)c3ccc(C)o3)n2)cc1OC	100276064	HVEMTLAXTXUGQH-YADARESESA-N	540.621	2.922	0	40	KFAB	
Cc1ccc(OC[C@H](O)CN2C(=O)N(CN3C(=O)N(C[C@@H](O)COc4ccc(C)cc4)C(=O)C3(C)C)C(C)(C)C2=O)cc1	100654427	OZBYBNWMXWXNTQ-DHIUTWEWSA-N	596.681	2.526	0	40	KFAB	
CCCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222935317	LCATWTUMJCTIQE-JOCHJYFZSA-N	561.701	2.819	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	223023991	WEUPDCPUGNLZBI-INIZCTEOSA-N	543.459	2.754	0	40	KFAB	
CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	224897754	WRLLZIOWIGUKNZ-QHCPKHFHSA-N	547.674	2.812	0	40	KFAB	
COC(=O)[C@]1(c2ccccc2)N[C@H](c2ccc(OC)cc2OC)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21	245230601	VCVXVWDIPVACJE-YYZJCXNBSA-N	544.560	2.994	0	40	KFAB	
COc1ccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3cc(C)c(Br)cc3C)CC2=O)cc1OC	408655709	LVIXSIYUAKMHKJ-INIZCTEOSA-N	548.390	2.758	0	40	KFAB	
CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1OC	408926366	NBZOAQQBYYVRPE-CJIXEESDSA-N	596.658	2.766	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(O)c(OC)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	408982909	KAGUOCPRWIOZHW-NWKGEQBZSA-N	540.594	2.538	0	40	KFAB	
NC(=O)C[C@@H](c1ccc2ncccc2c1)c1oc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c1O	524731842	MGGRZUZCBPBUFV-AGHHOFFYSA-N	512.566	2.682	0	40	KFAB	biogenic
COCC(=O)N1CCCN(C)CCN(S(=O)(=O)c2cc3c(cc2Cl)OCCO3)Cc2ccccc21	643558840	VKCYCTSKNZNMAW-UHFFFAOYSA-N	524.039	2.617	0	40	KFAB	
O=C(CN1CC[C@@H]2NC(=O)[C@@H](Cc3ccccc3)NC(=O)C3(CC=CC[C@@H]2C1)CCOCC3)NCc1ccccc1	1615130739	ZPHGSLRDGIKJIJ-SSBOKUKZSA-N	558.723	2.984	0	40	KFAB	
COc1ccc(N2C(=O)NC(=O)[C@](Cc3ccc(OC)c(OC)c3)(CN3C[C@H]4C[C@H](C3)c3cccc(=O)n3C4)C2=O)cc1	1318015	YSKRTKWHDJABDN-FLGDYYPQSA-N	586.645	2.805	0	40	KFAB	
CNC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1-c1ccc(OC(F)(F)F)cc1	3336967	GBFVPESWIDIDCI-UHFFFAOYSA-N	557.576	2.692	0	40	KFAB	
COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(OC)c(OC)c2)cc1	6973672	FEUYRAZTRCSQPR-MBSDFSHPSA-N	569.640	2.533	0	40	KFAB	
Cc1ccc(NC(=O)CS[C@@H](C)C(=O)OCC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1	12695420	MUNMWDZHTLMZIH-GHTZIAJQSA-N	504.630	2.819	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O	12883337	SFLWNMSGJKBINM-RUZDIDTESA-N	514.604	2.666	0	40	KFAB	
COc1ccc(NC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)cc1S(=O)(=O)Nc1ccc(Cl)cc1	13141208	IQQDDYFOWLNWKS-UHFFFAOYSA-N	514.947	2.791	0	40	KFAB	
COc1ccc(CCN2C(=O)[C@H]3C4C=CC([C@@H]3C2=O)[C@H]2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)[C@H]42)cc1OC	17285730	UGZMPGJVXRAOPR-ACTZSYJRSA-N	574.630	2.524	0	40	KFAB	
O=C(CSC1=Nc2ccccc2C2=N[C@H](CCC(=O)N3CCN(c4ccccc4)CC3)C(=O)N12)NC[C@H]1CCCO1	33356298	ONXZYQIJFCFMMM-RCZVLFRGSA-N	574.707	2.803	0	40	KFAB	
Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(N)(=O)=O)cc3)cc2)cc1Cl	59851963	JWALILXQKFIDOD-UHFFFAOYSA-N	524.020	2.792	0	40	KFAB	
CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1	85867530	WIGHCPZBXOGLKE-HEANBUAPSA-N	780.993	2.882	0	40	KFAB	biogenic
COC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OCC(=O)O)c(=O)n2[C@H]1c1ccccc1	97961847	IBFNDXYEZWPFGN-VTCDDQIKSA-N	543.395	2.634	0	40	KFAB	
CCN1CCN(CC(=O)N2N=C(c3ccc(Br)cc3)C[C@@H]2c2ccc(OC)c(OC)c2)C(=O)C1=O	97987861	SAQIKGBQEPCOKZ-HXUWFJFHSA-N	543.418	2.835	0	40	KFAB	
Cc1c(NS(=O)(=O)c2ccc(Cl)c(C(=O)O[C@@H](C)C(=O)NC[C@@H]3CCCO3)c2)c(=O)n(-c2ccccc2)n1C	102923672	SRRZAJAPKAEPFU-HKUYNNGSSA-N	577.059	2.779	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O	222559650	VQNZVMJNXDXIHN-VWLOTQADSA-N	527.618	2.986	0	40	KFAB	
CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	222829147	PSZXAGXWWLWTHU-NRFANRHFSA-N	519.620	2.522	0	40	KFAB	
Cc1ccc(C)c(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccccc2)c1	224435220	LCAOIJGFMCWAFA-UHFFFAOYSA-N	587.720	2.715	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)Nc1ccccc1C(=O)N1CCOCC1	225475516	AWXIBYSQUHZICL-UHFFFAOYSA-N	515.632	2.914	0	40	KFAB	
CCCn1c(=O)sc2cc(S(=O)(=O)Nc3ccc(C)c(S(=O)(=O)N4CCN(C)CC4)c3)ccc21	225734390	HFFHPPNECQLFBQ-UHFFFAOYSA-N	524.690	2.518	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCCSc2nc(C)n[nH]2)cc1C	226053113	PRTXTKHTABYSTL-UHFFFAOYSA-N	503.650	2.572	0	40	KFAB	
COCCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(I)c1	408603825	GELBOOCDCWJAQI-UHFFFAOYSA-N	504.346	2.867	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CCOCC2)c2ccc(Br)cc2)cc1	408615477	ASAOUXCRYCENGL-UHFFFAOYSA-N	510.454	2.791	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(N4CCOCC4)o3)c(=O)n2[C@@H]1c1cccc(OC)c1	408864369	UUVBQTSQEHQUGW-VOSMRYOYSA-N	588.480	2.999	0	40	KFAB	
CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc5c(c4)n(C)c(=O)n5C)c(=O)n32)cc1	409032353	ITQNPEWCLSHKQM-XXMKCSCWSA-N	546.649	2.776	0	40	KFAB	
CCCC1=C(C(=O)OCC)[C@H](c2ccc3c(c2)OCO3)n2c(s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OCC)c3)c2=O)=N1	409174525	NAZCGQJCTKNUQG-SPLCHINYSA-N	663.749	2.944	0	40	KFAB	
COc1cccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2cccc(OC)c2)C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)c1	409378413	PFXJZQULSLEVRG-OTGDXRKGSA-N	511.527	2.844	0	40	KFAB	
Cc1c(N(C)S(=O)(=O)c2ccc(Cl)c(C(=O)N3CCN(c4ncccn4)CC3)c2)c(=O)n(-c2ccccc2)n1C	3376726	LNVGLQSAXCMUGW-UHFFFAOYSA-N	582.086	2.715	0	40	KFAB	
CCCC(=O)O[C@H]1[C@H](C)[C@]2(O)[C@H](C=C(CO)C[C@@]3(O)C(=O)C(C)=C[C@@H]32)[C@H]2C(C)(C)[C@@]12OC(=O)CCC	5260858	BQJRUJTZSGYBEZ-AOMRAFNZSA-N	504.620	2.632	0	40	KFAB	
O=c1[nH]c(C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nc2c1nnn2Cc1cccc(Cl)c1	6161753	GKBPSCOEOLXKCE-UHFFFAOYSA-N	502.959	2.924	0	40	KFAB	
COc1ccccc1N(C[C@H](O)CN(C)S(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccccc1	8870949	NUPWADPNDLOGSD-HXUWFJFHSA-N	504.630	2.881	0	40	KFAB	
Cc1ccc(NC(=O)CNc2cc(S(=O)(=O)N3CCOCC3)ccc2NC[C@H]2CCCO2)cc1F	12522399	PMRLOQPKFRGDKI-LJQANCHMSA-N	506.600	2.797	0	40	KFAB	
O=C(COC(=O)c1ccc(Cl)cc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1	12563186	XWJHLUVBABIDLP-UHFFFAOYSA-N	507.996	2.757	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O	19931622	CGOJLBRLWZOGJM-UHFFFAOYSA-N	502.014	2.538	0	40	KFAB	
CCCCn1c(N)c(N(CC(C)C)C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(=O)[nH]c1=O	38152780	HCBUFYKKADUKKY-UHFFFAOYSA-N	540.086	2.662	0	40	KFAB	
COc1ccc(C)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1	59929647	GBLMWNDPYCSREJ-DEOSSOPVSA-N	551.665	2.966	0	40	KFAB	
O=C(CS(=O)(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12)Nc1ccc(OC(F)(F)F)cc1	97990802	RWDUPUNPTWJDTD-UHFFFAOYSA-N	525.505	2.811	0	40	KFAB	
COc1ccc(CCN(C(=O)Cn2nnc(-c3ccc(OC)c(OC)c3)n2)[C@@H](C)C(=O)NC2CCCC2)cc1OC	100276306	QMYAQKUXKRCPSO-IBGZPJMESA-N	566.659	2.893	0	40	KFAB	
COc1ccc(CCN2C(=O)[C@@H]3[C@H](Cc4ccccc4)N[C@@]4(C(=O)Nc5ccccc54)[C@@H]3C2=O)cc1OC	104847583	FJQUVEKSRKZKKH-ZCTJEENXSA-N	511.578	2.910	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O	223485149	NIMHJNIFNDVFTJ-LJQANCHMSA-N	505.637	2.803	0	40	KFAB	
CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	224131862	MCBJQTXZXRGMLZ-QFIPXVFZSA-N	517.648	2.948	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)CCCN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1	224258093	YVFOJQBWRSKWSK-UHFFFAOYSA-N	551.609	2.697	0	40	KFAB	
CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N3CCCCC3)cc1)O2	224400816	NYOXTVITWJFMRM-VWLOTQADSA-N	579.741	2.881	0	40	KFAB	
Cc1cc(OC[C@]2(CC(=O)N3CCN(C)CC3)CN(C(=O)Cc3c(C)noc3C)CCO2)ccc1Cl	585283330	DKPWWVJUMMFTPH-SANMLTNESA-N	519.042	2.636	0	40	KFAB	
Cc1c(-n2c(SCC(=O)NC(=O)NC(C)C)nc3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C	3378400	PKKGEKOTRJXXHR-UHFFFAOYSA-N	506.588	2.510	0	40	KFAB	
CCn1cc(C(=O)N(CCC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c(=O)c2ccc(C)nc21	3428015	VYGQYWSKCWXHBU-UHFFFAOYSA-N	516.602	2.898	0	40	KFAB	
O=c1c(NS(=O)(=O)c2cccc(F)c2)ccc2n1C[C@H]1C[C@@H]2CN(S(=O)(=O)c2ccccc2)C1	3841478	JGVHLVHZUXRFSJ-DLBZAZTESA-N	503.577	2.596	0	40	KFAB	biogenic,in-vitro
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)cc2)n1	4642532	KWZCBRQTRBKUHH-RTBURBONSA-N	559.670	2.944	0	40	KFAB	
COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(OC)c(O)c(OC)c4)c(=O)n32)cc1	8443033	IKGUMYNFHLUOSQ-FJWZAKCXSA-N	524.595	2.918	0	40	KFAB	
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3cccc(Cl)c3)CC2)N[C@H]1c1ccc(OC)cc1OC	10157502	NLWYQXZHLJPCAV-YADHBBJMSA-N	500.983	2.886	0	40	KFAB	
CCCN(S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)S(=O)(=O)c1cccc(Cl)c1	13133724	MVSAQINYOGWPFD-UHFFFAOYSA-N	507.055	2.914	0	40	KFAB	
O=C(C[C@H](NCc1ccccc1)C(=O)O)Nc1ccc(NC(=O)C[C@@H](NCc2ccccc2)C(=O)O)cc1	16778910	XTPONWZFHNDLOE-PSWAGMNNSA-N	518.570	2.830	0	40	KFAB	
CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1	20032472	JTDYMZNWBCRPQQ-IBGZPJMESA-N	523.677	2.633	0	40	KFAB	
O=C(NCCCN1CCOCC1)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl	35096671	YMIKRLFOXVSXIP-FQEVSTJZSA-N	500.448	2.722	0	40	KFAB	
C/C=C(\C)C[C@@H](/C=C(\C)[C@H](O)[C@@H](C)/C=C(\C)[C@H](O)[C@@H](C)/C=C/[C@H](O)C/C=C/[C@H](O)[C@H](O)C(=O)O)C(=O)O	38143647	YKAQENKKQWMYFZ-HRCNLAKTSA-N	524.651	2.600	0	40	KFAB	biogenic,in-vitro
CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1Cl	59838174	AWDLQQQKVZGDOC-KRWDZBQOSA-N	544.095	2.897	0	40	KFAB	
COc1ccccc1N1CCN(C[C@@H](O)CN2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(C(C)=O)c3ccccc32)CC1	68606178	BSKCHUWGIPJEQQ-NVZGULDHSA-N	565.670	2.814	0	40	KFAB	
O=C(NCC(O)CNC(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1)/C(=C\c1ccco1)NC(=O)c1ccccc1	70664797	ILLKVCOASJNYCE-HEPXYTLMSA-N	568.586	2.708	0	40	KFAB	biogenic
COc1ccc(CCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@H](C(=O)NC[C@H]2CCCO2)c2ccco2)cc1OC	100377880	LODKCWULFCVWQQ-PIKZIKFNSA-N	611.673	2.549	0	40	KFAB	
COc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1OCC(=O)Nc1ccc(F)cc1	102995669	CYSVONYOMDJNBY-HNNXBMFYSA-N	545.545	2.683	0	40	KFAB	
CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OC)n2c(s/c(=C/c3ccc4c(c3)n(C)c(=O)n4C)c2=O)=N1	103904480	YTZFBYYMGGQCCW-OWXSRONMSA-N	546.649	2.778	0	40	KFAB	
CN1C[C@]2(Cc3ccccc3)c3ccccc3N[C@@]2(NC(=O)C(=O)N[C@]23Nc4ccccc4[C@@]2(Cc2ccccc2)CN(C)C3=O)C1=O	150384305	CUPHGIBQOXLNCO-KMJUKGKLSA-N	640.744	2.768	0	40	KFAB	
CSc1ccc(S(=O)(=O)N2CCC(C(=O)NCCOc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)cc1	224328528	JXFCUOSIAAJITJ-UHFFFAOYSA-N	567.755	2.789	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	225222796	ORGURGGEZSJOKA-QZTJIDSGSA-N	523.627	2.941	0	40	KFAB	
Cc1ccc(N([C@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)cc1Cl	260892291	XLDKTJZOKLTHKG-GOSISDBHSA-N	544.095	2.783	0	40	KFAB	
CCCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccccc3Cl)C2)cc1	408653566	IMJFGICRXPRDPF-MRXNPFEDSA-N	501.923	2.582	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/[C@H]3C(=O)N(c4ccccc4)N=C3C)c(=O)n2[C@@H]1c1ccccc1OC	409017951	KGTKOUGVHMUTRG-DDFBJSMGSA-N	530.606	2.798	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCC(=O)O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409032767	DCRBZZZGUYHVPI-TWBUYNNTSA-N	675.112	2.874	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCC(=O)OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409032880	DSLZURAVWSKKJC-UIFFJVJYSA-N	780.590	2.914	0	40	KFAB	
CCOc1cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)cc(Br)c1OCC(=O)OC	409107902	XWLSRLZQNCZAQA-WWNSAXIVSA-N	502.339	2.997	0	40	KFAB	
O=C(c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)N1CCN(c2ncnc3sc4c(c23)CCCC4)CC1	1332402	HZBUAHOMKOCWDN-IBGZPJMESA-N	541.699	2.990	0	40	KFAB	
COc1cccc(NC(=O)O[C@@H]2CC[C@@]3(C)[C@H](CC(=O)N4CC[C@H](NC(C)=O)C4)[C@H](O)CC[C@@H]3[C@]2(C)CO)c1	4236650	WOUDSVQOUXISSX-KOIGOCSISA-N	545.677	2.925	0	40	KFAB	biogenic,in-vitro
COCCNC(=O)Cn1c(=O)n(CCCCCC(=O)NCc2ccccc2Cl)c(=O)c2sccc21	8593232	IMJJYXDHZZKYKE-UHFFFAOYSA-N	521.039	2.518	0	40	KFAB	
O=C(CSc1nc2ccc(N3CCOCC3)cc2c(=O)n1CCc1ccccc1)NC[C@H]1CCCO1	9473705	GJKRCJKXXVVAMV-JOCHJYFZSA-N	508.644	2.863	0	40	KFAB	
CCn1cc(C(=O)NCCC(=O)NCCc2c[nH]c3ccc(OC)cc23)c(=O)c2cc3c(cc21)OCO3	12890982	LUKRJZIYPGIIFY-UHFFFAOYSA-N	504.543	2.719	0	40	KFAB	biogenic
CCn1c(COC(=O)[C@]23CCC(=O)N2c2ccccc2S3)nc2cc(S(=O)(=O)N(C)C)ccc21	13128487	KHONFZHNAZGRDB-HSZRJFAPSA-N	500.602	2.979	0	40	KFAB	
COc1ccccc1C[C@@H](NC(C)=O)C(=O)NC1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1	13565687	HOTVEONXACVYQA-RUZDIDTESA-N	509.628	2.865	0	40	KFAB	
Cc1ccc2cc(CN(CCN3CCOCC3)Cc3nnnn3Cc3ccc(F)cc3)c(=O)[nH]c2c1C	20109338	VJHNXTDMOUHNKR-UHFFFAOYSA-N	505.598	2.653	0	40	KFAB	
Cc1cccc(NC(=O)CSCC(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c1	32985916	XKGLKEOOJCIGHB-UHFFFAOYSA-N	509.632	2.836	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)C2)cc1OC	59838727	UZRAOABJVANFSH-OAQYLSRUSA-N	565.714	2.596	0	40	KFAB	
COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@@H](CC(N)=O)C(=O)O)C(=O)N32)cc1	70705983	IVOSRGGAVGCCOE-WFIHMLKPSA-N	581.585	2.718	0	40	KFAB	biogenic
COc1cc(Br)cc2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)c(=O)oc12	100912036	MIRNQCPRDCNYDA-UHFFFAOYSA-N	536.404	2.753	0	40	KFAB	
COc1ccc(OC)c(S(=O)(=O)N(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)Cc2ccccc2)c1	106402091	XAMSSFUAUUGNNN-UHFFFAOYSA-N	567.664	2.968	0	40	KFAB	
CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1	222901227	HJBOPVLLWMMCBL-OAQYLSRUSA-N	537.638	2.859	0	40	KFAB	
CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O	223411559	NKIWNADDUTYRLM-HSZRJFAPSA-N	505.637	2.803	0	40	KFAB	
COc1ccc(NC(=O)[C@@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1S(=O)(=O)N1CCCCC1	224114914	KSRQCKOFVMXFPU-OAHLLOKOSA-N	531.603	2.941	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O	225060602	MFUFZVOVFDGCGP-HXUWFJFHSA-N	517.648	2.948	0	40	KFAB	
CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	225447332	DIDHVHLPOGMDDR-QFIPXVFZSA-N	506.644	2.815	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O	225480741	GEPKJCUJVAFPMG-INIZCTEOSA-N	526.453	2.695	0	40	KFAB	
Cc1nn(C)cc1C(=O)N1CC[C@H](Oc2cccc(Br)c2)[C@@H](CC(=O)N2CCOCC2)C1	257274919	NNFHKCMTCNDYLC-UWJYYQICSA-N	505.413	2.650	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCC2)cc1	260786992	KTJLDGNUCSEFED-LJQANCHMSA-N	547.674	2.955	0	40	KFAB	
CCOc1ccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NCCCn4ccnc4)CC3=O)cc2)cc1	408579462	NQBFDHGEPCFGSG-FQEVSTJZSA-N	505.575	2.859	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/[C@@H]3C(=O)N(c4ccccc4)N=C3C)c(=O)n2[C@@H]1c1ccc(F)cc1	409022063	IOKUHSJUOSUAIE-CRJZHZJASA-N	518.570	2.928	0	40	KFAB	
CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc5c(c4)n(C)c(=O)n5C)c(=O)n32)cc1	409032350	ITQNPEWCLSHKQM-XSZPGNIMSA-N	546.649	2.776	0	40	KFAB	
CC(=O)N1CCCN(C)CCN(C(=O)CCc2cc([C@@H]3CCCN3S(C)(=O)=O)nc(C)n2)Cc2ccccc21	643554111	LFAKCPGMPPEFID-MHZLTWQESA-N	556.733	2.531	0	40	KFAB	
COc1ccccc1CCNC(=O)c1c(N)n(-c2ccc(S(N)(=O)=O)cc2)c2nc3ccccc3nc12	3311040	UHPRSOHWURWVCY-UHFFFAOYSA-N	516.583	2.784	0	40	KFAB	
CC(C)C(NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1)C(C)C	6133919	NKLWZMDOGSSGDK-QFIPXVFZSA-N	507.678	2.547	0	40	KFAB	
CC(C)C[C@H](NC(=O)[C@H](NC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(N)=O	6134918	USXRRKPOSGWVFO-XPWALMASSA-N	577.723	2.743	0	40	KFAB	
Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccc(F)cc1	12473152	VAFBBKYGYMPVNF-UWJYYQICSA-N	511.579	2.955	0	40	KFAB	
CCCCNC(=O)CSc1nc2cc3c(cc2c(=O)n1CCC(=O)NCCc1ccc(OC)c(OC)c1)OCO3	17337577	QIVRZZGEAKERIW-UHFFFAOYSA-N	570.668	2.900	0	40	KFAB	
CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCOC)N3CCN(c4ccccc4OC)CC3)cc2c1	19972953	KFFJDNHETGXOEF-VWLOTQADSA-N	503.607	2.644	0	40	KFAB	
COc1ccccc1CN(Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)Cc1nnnn1C[C@H]1CCCO1	20109363	WJTRERCMILAVLR-OAQYLSRUSA-N	520.590	2.922	0	40	KFAB	
O=C(NC[C@H]1CCCO1)[C@@H](c1ccncc1)N(Cc1ccccc1Cl)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	33356915	AAPMPJKZWNULAR-QFQXNSOFSA-N	583.066	2.945	0	40	KFAB	
C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)[C@H](O)C[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)CN([C@@H](CCC(=O)O)C(=O)O)C3=O	40811194	DIVSBLPHAPTLNH-JDNQOZLYSA-N	531.602	2.544	0	40	KFAB	biogenic,in-vitro
COc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@H](C(=O)NC[C@@H]3CCCO3)c3ccc(F)cc3)n2)cc1OC	100277311	HBHXJMCWVQQFKN-WCYRKSIYSA-N	582.633	2.541	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O	223058667	BVUCJNJASLVKFL-MRXNPFEDSA-N	526.453	2.777	0	40	KFAB	
CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O	223411504	NKIWNADDUTYRLM-QHCPKHFHSA-N	505.637	2.803	0	40	KFAB	
O=C(NC[C@@H]1COc2ccccc2O1)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1	225264867	AVQVPOHJCNOPAT-LJQANCHMSA-N	509.422	2.947	0	40	KFAB	
CCN(CC(=O)N1C[C@H](C(=O)NCCc2ccccc2)Oc2ccccc21)S(=O)(=O)c1ccccc1	260736820	IWFQIJTYWULCKH-RUZDIDTESA-N	507.612	2.850	0	40	KFAB	
COC(=O)c1cccc(CN2C[C@@H]3C[C@@H](O)CN3C3(C2)CN(Cc2ccc(OC(F)(F)F)cc2)C3)c1	514289913	PXVOBVNTCSYIJZ-FCHUYYIVSA-N	505.537	2.877	0	40	KFAB	biogenic,in-vitro
CN(C)c1cc(C[C@H]2CCN(C(=O)CN3CCC4(CCCCc5ccccc5OCCNC4=O)CC3)C2)ncn1	643558947	WPQXUISWJNZUNF-XMMPIXPASA-N	548.732	2.937	0	40	KFAB	
CC(=O)N[C@H](C(=O)N1CC[C@@H]2NC(=O)[C@@H](Cc3ccccc3)NC(=O)C3(CC=CC[C@H]2C1)CCOCC3)[C@@H](C)OC(C)(C)C	2037829050	HPSRZSHLKHSGCH-UBJSVZAASA-N	610.796	2.902	0	40	KFAB	
Cc1nc2cc(NC(=O)CN3CCC[C@]4(CC=CCOc5ccccc5C(=O)NCCNC4=O)C3)ccc2n1C	2037879774	PFWKALHTUQFXCS-SSEXGKCCSA-N	544.656	2.787	0	40	KFAB	
COC(=O)c1ccccc1NC(=S)N(CCCN1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3	6136123	YCMCDSDLSDESFV-UHFFFAOYSA-N	538.626	2.965	0	40	KFAB	
COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2F)cc1	7059794	HMBMSCMORITEHI-HRAATJIYSA-N	527.578	2.655	0	40	KFAB	
CSCC[C@H](NC(=O)C1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1)C(=O)O	8917810	KWGQUMHGCOUMAP-PMACEKPBSA-N	507.653	2.684	0	40	KFAB	biogenic
CCOc1ccc(N(CC(=O)N2CCC(C(=O)OC)CC2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	10542029	ZFIOJFIMGODNJR-UHFFFAOYSA-N	520.604	2.709	0	40	KFAB	
CCOc1ccc(S(=O)(=O)NCCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)cc1	12620314	QMIXQYZEBSADNR-UHFFFAOYSA-N	525.649	2.576	0	40	KFAB	
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)N4CCCC4)c3)cc2)n1	20482806	AVLCQSZHQUPXEO-UHFFFAOYSA-N	515.617	2.931	0	40	KFAB	
Cc1ccc(-c2nn3c(=O)cc(N4CCN(C(=O)COc5ccc6c(c5)OCO6)CC4)nc3s2)cc1	41089892	MYPPBDLIDBQMPJ-UHFFFAOYSA-N	505.556	2.583	0	40	KFAB	
CCOC(=O)C1CCN([C@@H](c2cc3ccc(OC)cc3[nH]c2=O)c2nnnn2Cc2ccccc2)CC1	57594760	NIMMGCQPCGACAC-DEOSSOPVSA-N	502.575	2.936	0	40	KFAB	
COc1cc2cc(CN(Cc3nnnn3Cc3ccc(F)cc3)C[C@@H]3CCCO3)c(=O)[nH]c2cc1OC	57640418	WWXBSHZVOICCOR-NRFANRHFSA-N	508.554	2.900	0	40	KFAB	
CCOC(=O)Nc1ccc2c(COC(=O)[C@H](NS(=O)(=O)c3ccc(Cl)cc3)[C@H](C)O)cc(=O)oc2c1	64734954	CFGHYQFQZZKBDZ-YEJXKQKISA-N	538.962	2.786	0	40	KFAB	
Cc1ccc(NC(=O)CSc2nc(=O)c(-c3ccc4c(c3)OCCO4)n[nH]2)cc1S(=O)(=O)N1CCCCC1	102864298	HUNJPHLDGBLWMD-UHFFFAOYSA-N	557.654	2.817	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	222531184	GSPXTIMJWGZNQQ-RUZDIDTESA-N	544.624	2.964	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O	225487277	HLXPZQXZJBSOAG-INIZCTEOSA-N	554.463	2.887	0	40	KFAB	
COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(-c3nc(C)cc(=O)[nH]3)c2)C1	226050107	GHFDSPPDHHRYFS-QGZVFWFLSA-N	500.552	2.932	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2cccc(C(C)=O)c2)S(C)(=O)=O)[C@H](C)C(=O)NC(C)(C)C)c1	260773244	IMYKRBBWJFLUGT-GOSISDBHSA-N	517.648	2.996	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	260883705	CIQXDAGETZDTCK-UXHICEINSA-N	547.674	2.955	0	40	KFAB	
COC(=O)c1cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)c(Cl)c3)C2)cc(C(=O)OC)c1	408582319	CFONGMJTQVBOKJ-CQSZACIVSA-N	524.979	2.961	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409033979	GDWMVUPVWZJWTH-ZDZYTSRMSA-N	596.658	2.766	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br	409156323	NSPUBVUHWZJXTG-GVZDMDPYSA-N	686.581	2.816	0	40	KFAB	
CN(C)/C=c1\c(=O)n(-c2ncc(C(F)(F)F)cc2Cl)/c(=C/N(C)C)c(=O)n1-c1ncc(C(F)(F)F)cc1Cl	3133213	RTLKWFDZQQOKNE-KAVGSWPWSA-N	583.320	2.722	0	40	KFAB	
CCOc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(Cc2ccccc2)C(=O)c2snc(C(N)=O)c2N)cc1	6601710	ZRWMVYJCRFLHLM-NFBKMPQASA-N	537.642	2.902	0	40	KFAB	
Cc1ccc(OCCCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)cc1	13147554	VSOJALSIPPRVDC-UHFFFAOYSA-N	503.621	2.650	0	40	KFAB	
CC[C@@H](C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OC)N(c1ccc(F)cc1)S(C)(=O)=O	30859366	QPFXZUSKBDBVLR-FQEVSTJZSA-N	513.613	2.802	0	40	KFAB	
C[C@H]1CC[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)CN([C@@H](CCC(N)=O)C(=O)O)C3=O	35270915	VGRPJNIVIGBNNK-TZFLNSFFSA-N	514.619	2.974	0	40	KFAB	biogenic,in-vitro
CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(S(=O)(=O)N(C)C)cc3)C2)cc1Cl	59838835	FROHDRSTJURUPD-GOSISDBHSA-N	544.095	2.706	0	40	KFAB	
COc1ccc(S(=O)(=O)NCCC(=O)NC(C)(C)C)cc1N(C)S(=O)(=O)c1ccc(Cl)cc1	95117010	RJAYAVRZHCMXAI-UHFFFAOYSA-N	518.057	2.757	0	40	KFAB	
COC(=O)C1=C(N)n2c(s/c(=C\c3ccc(OC(C)C)c(OC)c3)c2=O)=C(C(=O)OC)[C@H]1c1ccc(OC(C)C)c(OC)c1	102649846	UCMAATOLOXTXNW-KXERKJKRSA-N	624.712	2.752	0	40	KFAB	
CO[C@H]1[C@@H](O)[C@H](C)O[C@@H](O[C@@H]2CC[C@@]3(C)[C@H](C[C@@H]4O[C@]45[C@@H]3CC[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@]35O)C2)[C@@H]1OC(C)=O	123346085	BTRWTSHCXGFFFL-AVGPZYDLSA-N	590.710	2.812	0	40	KFAB	
O=C1[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(Br)cc43)[C@H]2C(=O)N1c1ccc2c(c1)OCCO2	229998540	KNXKVPINDROMLS-FROCWPDGSA-N	510.344	2.652	0	40	KFAB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(OC)c(OC(C)=O)c(OC)c4)c(=O)n32)cc1OCC	408950812	UHEJPMPZUPKEEP-NLSXYFQYSA-N	582.631	2.758	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/[C@@H]3C(=O)N(c4ccccc4)N=C3C)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1	409013544	BFNGVLGVKAZESE-QPPKVDSDSA-N	590.658	2.815	0	40	KFAB	
CCOC(=O)COc1c(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OCC(=O)OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cccc1OC	409036934	RYDPJVHVTMMQJO-WLBMKMHBSA-N	668.721	2.699	0	40	KFAB	
COc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc(OCC(=O)N3CCOCC3)c(OC)c2)C1=O	409202949	VMYMVYSSEHPMBM-HMAPJEAMSA-N	541.582	2.616	0	40	KFAB	
Cc1cc(OC[C@@]2(CC(=O)N3CCOCC3)CN(C(=O)CCc3c(C)nn(C)c3C)CCO2)ccc1Cl	585283269	CVQHIQZOJHGNCP-HHHXNRCGSA-N	533.069	2.857	0	40	KFAB	
CC(C)[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCCCN2CCCC2)CCC(=O)NC2(CCCC2)C(=O)N1	643577894	IKPLFMZAFYRRAA-LOSJGSFVSA-N	569.747	2.520	0	40	KFAB	
CC(C)CCO[C@@H]1CN(C(=O)c2ccccc2F)CCN(C(=O)c2cccc(OCC(=O)O)c2)CCCCOC[C@@H](O)[C@H]1O	643586395	NSGLPQDHVUSYQB-MUPNOLHXSA-N	618.699	2.837	0	40	KFAB	
CC(C)CN1CCC2(CCOc3cc(-c4ccccc4)ccc3S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)N2)CC1	1548891202	YNURDYIUMACPJN-RPWUZVMVSA-N	527.687	2.867	0	40	KFAB	
COc1cc(C[C@H](NC(C)=O)C(=O)NC2CCN(c3c(Cc4ccccc4)c(C)nc4ncnn34)CC2)cc(OC)c1	8690193	OEMOTSWBUJVPHM-NDEPHWFRSA-N	571.682	2.873	0	40	KFAB	
CCOC(=O)/C=c1\s/c(=C\c2ccc(OCc3ccccc3)cc2)c(=O)n1CC(=O)N1CCC(C)CC1	13145981	JNQALONDTIXLDR-IBTAJCQPSA-N	520.651	2.920	0	40	KFAB	
Cn1cc(C(=O)N2CCN(C3CCCCC3)CC2)c(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)n1	67337739	QJNOANURQPKKRQ-UHFFFAOYSA-N	535.114	2.675	0	40	KFAB	
O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NCCN1C(=O)S/C(=C/c2ccc(OC(F)F)cc2)C1=O	97986016	SRORXRVNQMEULH-DQXFZPHBSA-N	519.526	2.782	0	40	KFAB	
COc1ccc(CCN(C(=O)/C=C/C(=O)O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC	100076459	IJRYMBZKZRNAEN-QZEKMECESA-N	531.359	2.810	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@H](C(=O)NC3CCCC3)c3ccco3)n2)cc1OC	100276482	UQUFTQIEAFJYHI-CPJSRVTESA-N	538.605	2.758	0	40	KFAB	
CCC[C@@H](C(=O)NC1CCCCC1)N(CCCN1CCOCC1)C(=O)C[S@](=O)CC(=O)Nc1ccc(C)cc1	100331178	YBGQAVUONAYUOD-BNCXPCJNSA-N	562.777	2.851	0	40	KFAB	
COCCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)sc2cc(C(=O)OC)ccc21	100872420	GUYPRZAIRRXGGD-VHXPQNKSSA-N	503.602	2.661	0	40	KFAB	
COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)O[C@@H](C)C(=O)N3CCN(C(=O)c4ccco4)CC3)c2)cc1	103091441	IJWBREQYMBUUTQ-IBGZPJMESA-N	555.609	2.643	0	40	KFAB	
O=C(CSC(=S)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1	113480853	RAWQLTRWUUNYFT-DLBZAZTESA-N	556.695	2.515	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	222670029	SJFMCWVTWHTPSG-QFIPXVFZSA-N	570.465	2.980	0	40	KFAB	
CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC[C@@H]2CCCO2)cc1	222717145	UYSWHMOCCBCZMD-OFNKIYASSA-N	501.649	2.630	0	40	KFAB	
CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	222937400	ZRDXYSJJIRLJMU-JOCHJYFZSA-N	506.644	2.813	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O	223566922	ZYYZSPPIGGWJAN-AWEZNQCLSA-N	517.576	2.551	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O	225478872	MIZXYSIQNUERGF-QGZVFWFLSA-N	510.454	2.995	0	40	KFAB	
COC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3Br)OCO4)c(=O)n2[C@@H]1c1ccccc1	408752477	IRNLQYLGESTPID-BFHGZXLWSA-N	513.369	2.899	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(CC(=O)N4CCOCC4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(F)cc1	409151455	BLNGGCGHOBIZGB-RBXKPUFLSA-N	588.661	2.751	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)N4CCOCC4)cc3)c(=O)n2[C@H]1c1cc(Br)ccc1OC	409157451	VQGVNRNDGWIKBM-LKWZWFHSSA-N	656.555	2.807	0	40	KFAB	
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)N3C[C@@H]4C[C@H](C3)CN3C(=O)CCC[C@@H]43)[C@@H]21	604403869	AYXVRVLRTNRVFZ-AYTJMQOLSA-N	544.608	2.678	0	40	KFAB	biogenic
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC(C)=O)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	1458633	HCCFBJYRMOXQAW-RWTNITNYSA-N	522.579	2.741	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O	12905129	JTKRPRQJOKSQLQ-VWLOTQADSA-N	514.604	2.666	0	40	KFAB	
CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1	20032468	JTDYMZNWBCRPQQ-LJQANCHMSA-N	523.677	2.633	0	40	KFAB	
CC(=O)OC[C@H]1O[C@@H](SCCOc2ccc(Br)cc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	33355116	ZDUHEZBXPHVNCZ-AANPDWTMSA-N	563.419	2.644	0	40	KFAB	
CS(=O)(=O)c1ccc(Cl)c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)c1	38139616	LVMYIWZASHUGTJ-UHFFFAOYSA-N	528.052	2.617	0	40	KFAB	
COc1ccc(CCNC(=O)C(=O)NC[C@H](c2ccco2)N2CCN(c3ccccc3)CC2)cc1OC	56945176	KUCCAGHOPWDZKI-HSZRJFAPSA-N	506.603	2.635	0	40	KFAB	
CCOC(=O)c1nn(-c2ccc(C)cc2)c(C)c1C(=O)C1=NO[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12	100354680	HOJHGRUIQMKDNI-XXBNENTESA-N	504.474	2.932	0	40	KFAB	
COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1OCCOc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)OC	100926333	YGVNRJDECUGHMA-ZEQRLZLVSA-N	550.568	2.746	0	40	KFAB	
COc1ccc(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1NS(=O)(=O)c1ccc(F)cc1	102993930	IFHWWEYXARIGQY-OALUTQOASA-N	501.536	2.915	0	40	KFAB	
COc1ccccc1CNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)CN(C)S(C)(=O)=O	223332171	DRJGFCGHUSVKRE-SANMLTNESA-N	509.628	2.973	0	40	KFAB	
C[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	224104701	GOTDHQNMSNHMAX-HXUWFJFHSA-N	518.655	2.957	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	225444219	OZIYSJRPHXYXPB-WOJBJXKFSA-N	517.648	2.946	0	40	KFAB	
CCOc1ccccc1N(CC(=O)N(Cc1cccc(Br)c1)[C@@H](C)C(=O)NC)S(C)(=O)=O	225451862	KMRLKZFPHBOUML-INIZCTEOSA-N	526.453	2.777	0	40	KFAB	
C[C@@H]1CC[C@]2(C(=O)O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@](C)(C(=O)O)[C@H]5CC[C@]43C)[C@H]2[C@]1(C)O	253529483	AWFZJSUJFSUBQU-JSSBZQGVSA-N	664.833	2.528	0	40	KFAB	biogenic,in-vitro
Cc1cc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)no1	408677739	FBUFCZPYBCTBSL-LUZREPNFSA-N	513.550	3.382	0	40	KFAB	
CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	409121134	WJAWVKWEHDJNBA-HFZDXXHNSA-N	584.720	2.917	0	40	KFAB	
O=S1(=O)C[C@@H]2[C@H](C1)N(Cc1cccc(Cl)c1)[C@@H]1CS(=O)(=O)C[C@@H]1N2Cc1cccc(Cl)c1	575420125	GAYGCHHVCBKQCS-ZDNVTZCJSA-N	515.484	2.642	0	40	KFAB	
CCOc1ccccc1C(=O)N1CCCN(C(C)C)CCN(C(=O)CNS(C)(=O)=O)Cc2ccccc21	643565129	BRKRUUKFZYQOTR-UHFFFAOYSA-N	530.691	2.724	0	40	KFAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCOc2cccc(C)c2C)CC(=O)N[C@@H](CC(C)C)C1=O	643579267	VPJPLLZQFUOZTJ-DQEYMECFSA-N	566.699	2.759	0	40	KFAB	
COc1cccc(-c2ccc3c(c2)OCCC2(CCN(Cc4ccncc4F)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2S3(=O)=O)c1	1548890546	SGVWTNOYSPLDEA-SQHAQQRYSA-N	610.708	2.954	0	40	KFAB	
CC(C)CNC(=O)[C@@H]1CC(=O)N[C@@H](CC(C)C)C(=O)NCCCCCCOc2ccccc2C(=O)N1	1615160855	RADPABJTDZUQIM-VXKWHMMOSA-N	502.656	2.547	0	40	KFAB	
O=C(CN1CCC[C@@]2(CC=CCOc3ccccc3C(=O)NCCNC2=O)C1)Nc1ccc2c(c1)OCCCO2	2037879896	WCNRWZNKAWYZFI-PMERELPUSA-N	548.640	2.754	0	40	KFAB	
CCOC(=O)N1CCN(C(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(C)cc2)CC1	656234	NIIXRYKFXJZAMI-UHFFFAOYSA-N	505.593	2.508	0	40	KFAB	
NS(=O)(=O)c1ccc(CCNC(=O)CSc2nc3ccccc3c(=O)n2Cc2cccs2)cc1	2970688	ABJCAEYXTPMMCW-UHFFFAOYSA-N	514.654	2.605	0	40	KFAB	
CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2c1CCN(C(C)C)C2	3007168	UOSRAQJYYHIMDL-UHFFFAOYSA-N	521.661	2.965	0	40	KFAB	
CSc1cccc(NC(=O)N[C@H]2C[C@@H](C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(N)=O)N(C(=O)c3cccn3C)C2)c1	4200872	KNGRNDGWGDFVGN-KHMOSXFSSA-N	587.706	2.846	0	40	KFAB	biogenic,in-vitro
Cc1cccc(N2CCN([C@H](c3cc4cc5c(cc4[nH]c3=O)OCO5)c3nnnn3C[C@H]3CCCO3)CC2)c1C	6443116	WMLKWPMPBCLKHJ-JIPXPUAJSA-N	543.628	2.951	0	40	KFAB	
CCOC(=O)CNC(=O)[C@@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)cc1C	6546678	AIYVDRGBKICSEF-OAQYLSRUSA-N	527.578	2.648	0	40	KFAB	
CCOc1ccccc1N1C[C@@H](C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC(C)C)CC1=O	13134955	ODQAOCNJKPCFNV-IBGZPJMESA-N	531.631	2.885	0	40	KFAB	
COc1ccc(/C=C(\C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)n2ccccc2=O)cc1OC	19831403	FDBXCZSFBTZCIW-PXLXIMEGSA-N	503.555	2.937	0	40	KFAB	
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CN(S(C)(=O)=O)c4ccccc4O3)cc2)cc1	20451458	KEOLCRKDQQDVDH-QFIPXVFZSA-N	517.585	2.662	0	40	KFAB	
CS(=O)(=O)N1C[C@H](C(=O)Nc2ccccc2C(=O)NCc2cccnc2)Oc2ccc(Cl)cc21	20482009	QYWGACWZYUZASL-OAQYLSRUSA-N	500.964	2.831	0	40	KFAB	
Cc1cccn2c(=O)c3c(nc12)N1CCc2ccccc2[C@H]1[C@@]1(C3)C(=O)NC(=O)N(CCc2ccccc2)C1=O	97955829	RBGHWCNEXVXEIV-DLLPINGYSA-N	533.588	2.970	0	40	KFAB	
COc1ccccc1N1C(=O)[C@@H]2[C@@H](C)N[C@]3(C(=O)N(CC(=O)N4CCc5ccccc54)c4ccccc43)[C@@H]2C1=O	100164723	OGNKSVOBEJANPK-SPBCFDDISA-N	536.588	2.624	0	40	KFAB	
COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(C)c2)cc1OC	100309691	ZZGSXYJFAFTYGO-WZONZLPQSA-N	553.641	2.833	0	40	KFAB	
COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)S(C)(=O)=O)cc1Cl	139726491	BIROKTCIGDVGLX-UHFFFAOYSA-N	554.050	2.961	0	40	KFAB	
Cc1ccc(S(=O)(=O)NCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)cc1	222542684	SUKVXJRMJGGQPP-INIZCTEOSA-N	534.487	2.797	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O	224044429	RSTKUZNHBUEDKR-LJQANCHMSA-N	505.637	2.803	0	40	KFAB	
C[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O	224380205	RWWBKLPHZCVEGK-GOSISDBHSA-N	544.095	2.864	0	40	KFAB	
COC(=O)[C@]1(C)[C@H](OC(C)=O)C[C@H](OC(C)=O)[C@]2(C)c3c(O)cc(C(C)C)cc3[C@H](O)[C@@H](OC(C)=O)[C@H]21	252504671	CDYGRHOHQUXDMN-FDDOBJQESA-N	520.575	2.815	0	40	KFAB	biogenic,in-vitro
COC(=O)[C@]1(C)[C@H](OC(C)=O)C[C@H](OC(C)=O)[C@]2(C)c3c(O)cc(C(C)C)cc3[C@H](O)[C@H](OC(C)=O)[C@H]21	252504673	CDYGRHOHQUXDMN-JEKKTFJVSA-N	520.575	2.815	0	40	KFAB	biogenic,in-vitro
CC(=O)N1CCN(Cc2cccc(OCCCN3CCCC3=O)c2)C[C@](O)(COc2ccc(C)cc2)C1	585270933	DSCZYTHOEPMKMO-GDLZYMKVSA-N	509.647	2.861	0	40	KFAB	
O=C(CCc1ccccc1)N1CCCCC2(CCN(Cc3ccncc3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1	643577597	BPZJFPJFSQNVKJ-RRPNLBNLSA-N	523.674	2.964	0	40	KFAB	
Cc1ccccc1OCCN(C)C(=O)[C@@H]1CCC(=O)N[C@@H](CC(C)C)C(=O)N(C)CCOc2ccccc2C(=O)N1	643580669	RQEDKTBOVUXPRG-DQEYMECFSA-N	566.699	2.793	0	40	KFAB	
O=C(Cn1c(=O)n(Cc2ccc(C(=O)NCc3ccco3)cc2)c(=O)c2ccccc21)NC1CCCC1	9616653	PJRMVICEYJMTTF-UHFFFAOYSA-N	500.555	2.793	0	40	KFAB	
Cc1ccccc1N(CC(=O)NC1CCCCC1)C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2	12710074	JXRCPFUEPGFOKS-BHVANESWSA-N	513.616	2.893	0	40	KFAB	
COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1Cl	59838330	ZBUOYZNRTREHIJ-HSZRJFAPSA-N	566.101	2.805	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCC(N(C)C)CC4)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	105497743	MOVYVAIFUJGTTO-ZEKHAJRLSA-N	580.707	2.939	0	40	KFAB	
CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	222819431	NHSPYKGUNLCHPO-QFIPXVFZSA-N	535.663	2.810	0	40	KFAB	
COCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	223005459	PACPHSNXWKLXIB-SSEXGKCCSA-N	609.745	2.879	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)c1	223036905	NXJXPCSYJJIVAG-SFHVURJKSA-N	535.663	2.810	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)NCC(C)C)c1ccc2c(c1)OCO2	224504728	HNVCLHDCDOAEGV-FQEVSTJZSA-N	517.648	2.803	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	225248550	IFNBVKCTUHOAAS-INIZCTEOSA-N	536.448	2.927	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1cccc(OC)c1)[C@@H](C)C(=O)NC(C)C)c1ccc2c(c1)OCO2	225660530	SEDALAFIEWZAAY-SFHVURJKSA-N	519.620	2.522	0	40	KFAB	
CC1(C)OC[C@@H]([C@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]2OC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)OCc2ccccc2)O1	252694741	PGIQKXPBSUHAPP-RBCXMFSJSA-N	598.649	2.580	0	40	KFAB	biogenic
O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)NCCN1C(=O)S/C(=C/c2ccc(OC(F)F)cc2)C1=O	254624921	SRORXRVNQMEULH-QDUFWUKNSA-N	519.526	2.782	0	40	KFAB	
COc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1OC	260777177	YTASFUNEJSYFNJ-LJQANCHMSA-N	505.637	2.720	0	40	KFAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccccc3O)c(=O)n2[C@H]1c1cc(OC)ccc1OC	409108383	XDEVCVIRCSLPIX-XPCGLTFESA-N	507.612	2.826	0	40	KFAB	
O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4cc(-c5ccncc5)ccc41)CC[C@@H]3O)N(Cc1ccccc1)C2	514287569	MQUXSXLRQGGCBF-MBFGAFETSA-N	556.663	2.929	0	40	KFAB	
CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)o2)c1C	3274428	DGWNCIIKOBTMOG-UHFFFAOYSA-N	534.616	2.854	0	40	KFAB	
CCC[C@@H](C(=O)NCCC(C)C)N(C[C@H]1CCCO1)C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1	6501148	ZWKCUODCIFHCKG-RTWAWAEBSA-N	516.643	2.696	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O	60060058	KXZHVWKOCMMAGS-UHFFFAOYSA-N	535.566	2.903	0	40	KFAB	
COC(=O)c1cc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccc(Cl)cc4)[nH]c(=O)c32)cc(C(=O)OC)c1	102356010	TZYMQLREQNTSEC-INIZCTEOSA-N	525.905	2.805	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	222572247	MVRNWJGPLDMIIX-XMMPIXPASA-N	555.628	2.749	0	40	KFAB	
CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O	223210827	LNGXGMYRMIXZEY-LJQANCHMSA-N	514.417	2.908	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	225180128	ODYYTLFFNUGDFY-SFHVURJKSA-N	523.627	2.943	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C	225365782	XQCIYHGDWVOBNQ-WOJBJXKFSA-N	504.653	2.640	0	40	KFAB	
CN(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccccc1)S(C)(=O)=O	260722467	OZQMLAUNTHCDDQ-FYYLOGMGSA-N	508.040	2.597	0	40	KFAB	
Cc1nc(N(C)S(C)(=O)=O)sc1C(=O)N1C[C@H](C(=O)NCCc2ccccc2)Oc2ccccc21	260828224	MYJOJGBJWCNXOH-HXUWFJFHSA-N	514.629	2.614	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NCC(C)C)c1ccc2c(c1)OCCO2	260865566	CKDONJXTLMBHHH-LJQANCHMSA-N	535.638	2.943	0	40	KFAB	
CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OCC)=C(C)N=3)cc1	408770438	XOIWYVUDRKQEBQ-DUBROFONSA-N	512.609	2.802	0	40	KFAB	
CCOc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)ccc1O	408931988	ANNPOXCPNKIGTF-XKKBFUJGSA-N	524.595	2.920	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/[C@H]3C(=O)N(c4ccccc4)N=C3C)c(=O)n2[C@H]1c1cccs1	409023839	JWYHQWKJJIWQLY-AUYRHBJBSA-N	506.609	2.850	0	40	KFAB	
COCCN1CCN(C(=O)Cc2ccc3c(c2)CN(Cc2ccccc2)CC(=O)NCCCCCO3)CC1	643571288	CUBDSMVAGYNOKJ-UHFFFAOYSA-N	522.690	2.701	0	40	KFAB	
CN1CCOc2ccccc2C(=O)N[C@H](C(=O)N(C)CCOc2ccccc2F)CCC(=O)N[C@@H](Cc2ccc(O)cc2)C1=O	643580606	PMANVPYIZCLPNA-SVBPBHIXSA-N	620.678	2.526	0	40	KFAB	
CCn1c(=O)c(C(=O)COC(=O)CNC(=O)c2sc3ccccc3c2Cl)c(N)n(Cc2ccccc2)c1=O	2642285	IFWNJEQGKSBRSV-UHFFFAOYSA-N	555.012	2.684	0	40	KFAB	
COCCn1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(c2cc(Cl)ccc2C)CC1	6280684	VPWCPUBFNAEHSL-XMMPIXPASA-N	538.008	2.763	0	40	KFAB	
COC(=O)c1ccccc1NC(=O)Cn1c(=O)n(-c2cc(OC)c(OC)c(OC)c2)c(=O)c2ccccc21	9616027	DCILYQJCULIZOD-UHFFFAOYSA-N	519.510	2.604	0	40	KFAB	
CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1	12531290	YDJZMDYVWFYNGA-UHFFFAOYSA-N	522.649	2.902	0	40	KFAB	
COC(=O)c1ccc(NC(=O)CN2C(=O)NC(c3ccc(OC)cc3)(c3ccc(OC)cc3)C2=O)cc1	13163549	BFDVFVUWCBOESI-UHFFFAOYSA-N	503.511	2.925	0	40	KFAB	
CCOC(=O)[C@H]1C(c2ccc(Cl)cc2)[C@@H](C(=O)OCC)[C@](O)(C(F)(F)F)N[C@]1(O)C(F)(F)F	16682655	ZVQCIDVGBSULAA-FPISHFTHSA-N	507.811	2.887	0	40	KFAB	
CCOc1ccc(CCNC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1OCC	23074434	PWBASNYWMCGSET-UHFFFAOYSA-N	504.605	2.784	0	40	KFAB	
COc1ccccc1N1CCN(C[C@@H](O)CN2C(=O)[C@@H]3C4c5ccccc5C(C(C)=O)(c5ccccc54)[C@@H]3C2=O)CC1	68606187	BSKCHUWGIPJEQQ-STMLCVFMSA-N	565.670	2.814	0	40	KFAB	
COC(=O)[C@@]1(c2ccccc2)N[C@H](c2ccc(OC)cc2OC)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21	100422166	VCVXVWDIPVACJE-PYOQLBSMSA-N	544.560	2.994	0	40	KFAB	
Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCOCC3)cc2)cc1	102998749	QULYEELUDPLOIW-UHFFFAOYSA-N	600.719	2.906	0	40	KFAB	
C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(COc2ccccc2F)nnc1SCC(=O)c1c(N)n(C)c(=O)n(C)c1=O	108823605	DDXGBFDTSWBNOB-QAETUUGQSA-N	542.637	2.948	0	40	KFAB	
O=C(CSC(=S)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1	113480856	RAWQLTRWUUNYFT-SJORKVTESA-N	556.695	2.515	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)N(c3cc(Cl)ccc3Cl)S(C)(=O)=O)CC2)cc1	113633840	QJVBXHAMBHOKHG-INIZCTEOSA-N	534.487	2.989	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	222652372	ABHXIAPWMGJONZ-CQSZACIVSA-N	532.446	2.940	0	40	KFAB	
COCCNS(=O)(=O)c1ccc(OCC(=O)NCCCNc2ccnc3cc(Cl)ccc23)cc1	222745306	QZOBEFVSMKRADE-UHFFFAOYSA-N	507.012	2.810	0	40	KFAB	
Cc1ccc(CN(C(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)cc1	222768143	FDROBFCOAQRAQF-IBGZPJMESA-N	517.648	2.864	0	40	KFAB	
CCOc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	224213714	MTSPSKODGVDJIZ-UHFFFAOYSA-N	621.734	2.743	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N(C)CC(=O)N2C[C@H](C(=O)NCc3ccccc3)Oc3ccccc32)cc1	260833459	WTIOAZCSDAFDJU-RUZDIDTESA-N	523.611	2.816	0	40	KFAB	
COc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)cc1	260896388	MYPANBSMUVUUBQ-LJQANCHMSA-N	505.637	2.659	0	40	KFAB	
Cc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1OCC(=O)Nc1ccc(S(N)(=O)=O)cc1	408623052	OQHQCOVQZVIHPG-UHFFFAOYSA-N	515.613	2.801	0	40	KFAB	
CCc1cc(Br)ccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2cc(OC)cc(OC)c2)C1	408660779	VHIUOVZUAXINFN-MRXNPFEDSA-N	548.390	2.704	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccc(Cl)cc43)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	409111011	AOCZPLRNSGBNJP-SADKCHQCSA-N	539.997	2.791	0	40	KFAB	
COC(=O)C[C@@H](c1cccc(OCC(N)=O)c1)c1c(O)c(C(C)=O)cc([C@@H]2OCc3cnc(C)c(O)c32)c1O	524732033	UQWCUWMSTNSNKX-VKGTZQKMSA-N	536.537	2.888	0	40	KFAB	biogenic
COCC(=O)N1CCN(Cc2cccc(OCCn3nc(C)cc3C)c2)C[C@](O)(COc2ccc(C)cc2)C1	585274239	XVUKOHPSMGKZDF-SSEXGKCCSA-N	536.673	2.988	0	40	KFAB	
C[C@@H]1NC(=O)C2(CCCCOCCNC1=O)CCN(C(=O)CCc1nc3cccc(Cl)c3n1C)CC2	643563922	JVAOYDBXJPRYKY-SFHVURJKSA-N	518.058	2.590	0	40	KFAB	
CC(=O)N1CCCN(Cc2ccccn2)CCN(C(=O)CC2CCN(S(C)(=O)=O)CC2)Cc2ccccc21	643566672	HIRSNSFFWQONHX-UHFFFAOYSA-N	541.718	2.731	0	40	KFAB	
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cc4c(=O)n5cccc(C)c5nc4n3C)cc2)n1	2342761	BXHUZGUMUBAORW-UHFFFAOYSA-N	517.571	2.955	0	40	KFAB	
CC(C)(C)NC(=O)[C@H](c1ccc(O)cc1)N(C[C@H]1CCCO1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1	6074973	WGFLXRCZQQGXMX-GGAORHGYSA-N	510.570	2.848	0	40	KFAB	
COc1ccc(OC)c(N(CC(=O)NCCCOC(C)C)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	15230430	FCMDXSLUJQKSHM-UHFFFAOYSA-N	510.609	2.848	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1Cl	59838082	LGMPYGHQJIYQGA-UHFFFAOYSA-N	544.095	2.850	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(CNC(=O)COc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)cc1	59851875	AXZILOGCIJTWMB-UHFFFAOYSA-N	543.667	2.774	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCN(S(=O)(=O)Cc4cccc(Br)c4)CC3)CC2)cc1	60060945	MMRYEUFBWYFZHR-UHFFFAOYSA-N	584.558	2.832	0	40	KFAB	
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	77285047	HTABKEQHHQHYFD-QSGNWFJVSA-N	595.701	2.891	0	40	KFAB	in-vitro
CO[C@H](/C=C/CC/C=C/C(=O)O)[C@@H](O)[C@H](C)[C@H](O)/C(C)=C/[C@H](C)C(=O)CCCC1CC(=O)NC(=O)C1	100061589	YQDJUXPUIRGKNV-KXXACNNQSA-N	507.624	2.711	0	40	KFAB	biogenic,in-vitro
CC(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(=O)c(-c4cscn4)c(C)oc3c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	103664784	QLPBVUOEXHYSIY-SUKDPWILSA-N	589.575	2.687	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	223264883	NNMXLFDUSKALMY-KRWDZBQOSA-N	507.584	2.654	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225113948	BZKXMFCYJYTQFF-VQTJNVASSA-N	517.648	2.864	0	40	KFAB	
CCC(=O)N1CCc2cc(S(=O)(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3OC)ccc21	225360348	BGROTEDVPWRCQW-UHFFFAOYSA-N	507.634	2.970	0	40	KFAB	
CC(=O)Nc1ccc(CN2CCN3C(=O)c4ccccc4OCC[C@@H]4CCC[C@@H](CNC(=O)[C@@H]3C2)O4)cc1	253395457	BXMGVEKYTVVRBF-GNKBHMEESA-N	520.630	2.808	0	40	KFAB	
CCOc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1	408594605	UHLCEPKTVQRKTE-RQZCQDPDSA-N	579.347	2.993	0	40	KFAB	
CC(=O)N1CCCN(Cc2ccccc2)CCN(C(=O)[C@@H]2COCCN(S(=O)(=O)N(C)C)C2)Cc2cc(Cl)ccc21	643554518	UQIONPVYBKSHTC-SANMLTNESA-N	606.189	2.682	0	40	KFAB	
CC(C)C[C@H]1NC(=O)C[C@@H](C(=O)N(C)CCOc2ccc(Cl)cc2)NC(=O)c2ccccc2OCCN(C)C1=O	643579293	WSNOXBBZJDKUOG-RPWUZVMVSA-N	573.090	2.748	0	40	KFAB	
CS(=O)(=O)N(C(=O)NC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(Cl)cc1	3178942	SWFUYJRYMYIRSF-UHFFFAOYSA-N	500.986	2.832	0	40	KFAB	
NC(=O)C1(N2CCCCC2)CCN(C(=O)CCCCCn2c(=S)[nH]c3ccc(N4CCOCC4)cc3c2=O)CC1	4019722	HKRYQZDDTTWWSI-UHFFFAOYSA-N	570.760	2.788	0	40	KFAB	
CC(C)CCNC(=O)[C@H](c1ccco1)N(Cc1ccc2c(c1)OCO2)C(=O)c1snc(C(N)=O)c1N	6134583	MFVGJSWEBZCWGA-FQEVSTJZSA-N	513.576	2.692	0	40	KFAB	
COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)c(OC)c1	6924534	FOGDZCVUHZBWGW-JTSKRJEESA-N	557.604	2.664	0	40	KFAB	
COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(OC)c(OC)c2)cc1	6973708	FEUYRAZTRCSQPR-FDDCHVKYSA-N	569.640	2.533	0	40	KFAB	
NC(=O)c1nsc(C(=O)N(c2ccccc2F)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)c1N	12473299	VGDWRNONWIHSNH-MGPUTAFESA-N	515.542	2.786	0	40	KFAB	
O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1	22919992	YTNPUSKYYMYKJY-UHFFFAOYSA-N	514.648	2.736	0	40	KFAB	
COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)NCCCO)c(=O)cc1[C@@H](NC(C)=O)CC2	96221729	UNPLDSBWQXRTMO-NRFANRHFSA-N	527.618	2.554	0	40	KFAB	biogenic
CC(=O)N[C@@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)O[C@@H]1Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1	98044708	AUZCUOOUVRHFOF-MDMHHNQBSA-N	559.412	2.759	0	40	KFAB	
O=C(NC[C@H]1CCCO1)[C@H](c1cccs1)N(Cc1ccc2c(c1)OCO2)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	100377916	GINMGOVWWOFFHT-BCHFMIIMSA-N	597.671	2.687	0	40	KFAB	
COC(=O)Cn1c(=O)c(C(=O)CSc2nc3ccc(Cl)cc3c(=O)n2CC(C)C)c(N)n(Cc2ccccc2)c1=O	103123769	NYWPHAFLIWAECT-UHFFFAOYSA-N	598.081	2.808	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1Cl	105555116	JYBKTVMPELJCNI-UHFFFAOYSA-N	538.047	2.868	0	40	KFAB	
O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1	140086075	URPQVHCTBAIDLO-UHFFFAOYSA-N	543.671	2.891	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O	222559785	INWLCNXOIMDSOR-VWLOTQADSA-N	527.618	2.986	0	40	KFAB	
Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)NCCSc1nc(-c2ccccc2)n[nH]1	222772884	QNKMWSISJQROCC-UHFFFAOYSA-N	501.634	2.852	0	40	KFAB	
CS(=O)(=O)N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCCCO)Cc1ccccc1	223154652	BUPVSZQDFSLPIE-MHZLTWQESA-N	555.672	2.726	0	40	KFAB	
CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223656764	KQOFLMUVGKTORO-JOCHJYFZSA-N	547.674	2.955	0	40	KFAB	
CC[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)N(c1ccccc1)S(C)(=O)=O	224393128	JPBVYDALJUSZSH-QHCPKHFHSA-N	523.677	2.601	0	40	KFAB	
O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1	226087498	ARPOVAYSOBSZAB-UHFFFAOYSA-N	569.705	2.960	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	260918396	GISSQSFXBFZFET-MOPGFXCFSA-N	522.643	2.779	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCC(=O)O)c(OC)c3)c(=O)n2[C@@H]1c1cccc(OC)c1	408843051	QYOQPVKCZMPWJV-WNBZBHRJSA-N	664.474	2.884	0	40	KFAB	
COc1ccc(OC)c([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C4/C(=O)Nc5ccc(C)cc54)c(=O)n32)c1	409121198	SWJSHOGMKOZNIH-AYWGPLOBSA-N	533.606	2.835	0	40	KFAB	
CCOc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1I	409139215	BPGIJGNTCCRBIZ-XNTDXEJSSA-N	502.330	2.585	0	40	KFAB	
COc1cccc(CCNC(=O)[C@@H]2CC(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)CC(=O)N[C@H](Cc3ccccc3)COc3ccccc3C(=O)N2)c1	643574656	HNNOWJIJFMUQKI-CDSZWMAJSA-N	699.849	2.994	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)cc3OC)c(=O)n2[C@H]1c1ccccc1OC	2775317	FLTLDVAQRYNNMX-MFUBYVTQSA-N	524.595	2.833	0	40	KFAB	
CCOC(=O)CN(C(=O)Cn1nnc(-c2ccc(OC)cc2)n1)[C@H](C(=O)NC1CCCC1)c1ccc(F)cc1	6546202	OWLYXIQZKNELQQ-VWLOTQADSA-N	538.580	2.680	0	40	KFAB	
COc1ccccc1N1CCN(C(=O)[C@H]2CN3CC[C@H]2C[C@@H]3Cn2cc(CN(C)Cc3ccccc3)nn2)CC1	8254023	HNWHIKFOCPGCJE-ITHJLQSDSA-N	543.716	2.978	0	40	KFAB	biogenic,in-vitro
CSCC[C@H](NC(=O)[C@H](CC(C)C)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O)C(=O)O	8789210	RFNXXOFJKCHHTD-MHPIHPPYSA-N	500.621	2.941	0	40	KFAB	biogenic
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3	12650198	XYYSJBBTGXQHQA-CQSZACIVSA-N	517.629	2.796	0	40	KFAB	
Cc1ccccc1[C@H](C(=O)NCCC(C)C)N(CCN1CCOCC1)C(=O)Cn1nnc2ccccc21	20109326	QEHQLIJDLSRMEM-HHHXNRCGSA-N	506.651	2.804	0	40	KFAB	
CCOc1ccc(/C=C2\SC(=O)N(CCNC(=O)[C@@H]3CS[C@]4(C)CCC(=O)N34)C2=O)cc1OC	32989032	PYKTUFMYUVOBIR-ASJFBOEQSA-N	505.618	2.700	0	40	KFAB	
COc1cccc(N2CCN(CC(=O)N3CCNC(=O)[C@H]3CC(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)c1	59780921	LQNVIJVXJCMVOC-MUUNZHRXSA-N	557.651	2.965	0	40	KFAB	
Cn1c(=O)c2c(nc(CN3CCN(c4ccccc4F)CC3)n2Cc2c(F)cccc2Cl)n(C)c1=O	62301133	JTXGZMVJTZWPCQ-UHFFFAOYSA-N	514.964	2.736	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(C(=O)Oc2coc(CSc3nnc(NC(=O)C4CC4)s3)cc2=O)cc1	97990837	AXELWEXOXLALDD-UHFFFAOYSA-N	536.613	2.602	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccccn4)c(C)oc3c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	103692381	ARWVTIKJEMLWAI-YDLJEAQOSA-N	583.546	2.625	0	40	KFAB	
CC(C)OCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O	222708249	LSLBUWIWFNJRAE-QFIPXVFZSA-N	503.665	2.797	0	40	KFAB	
COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1N1C(=O)CCC1=O	225768694	RCIDTXANZIAGSN-UHFFFAOYSA-N	521.617	2.714	0	40	KFAB	
COc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c(OC)c1	260899381	NZLWPYKRFWAVED-GOSISDBHSA-N	523.627	2.798	0	40	KFAB	
CC(=O)Nc1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1	408684399	JWZBWNMJOLDVTI-ILQNBUCISA-N	503.555	2.769	0	40	KFAB	
COc1ccc(C(=O)N[C@H](C)c2cccc(S(N)(=O)=O)c2)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C	514391056	YOTWZLLAFFQZDQ-QINHECLXSA-N	509.650	2.691	0	40	KFAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NC2CCN(Cc3ccccc3)CC2)CC(=O)N[C@H](CC(C)C)C1=O	643582576	NDWPYVSJEYCUNC-WUFINQPMSA-N	591.753	2.728	0	40	KFAB	
Cn1c(N)c(C(=O)COC(=O)c2cc(-c3cccc(Br)c3)nc3ccccc23)c(=O)n(C)c1=O	3233061	UWABMBLGJCCXLM-UHFFFAOYSA-N	523.343	2.684	0	40	KFAB	
CC(C)C[C@@H](C(=O)NCc1ccccc1)N(Cc1ccc2c(c1)OCO2)C(=O)c1snc(C(N)=O)c1N	6135062	LVKCKZJNQDODGI-SFHVURJKSA-N	523.615	2.926	0	40	KFAB	
COc1ccc(CCNC(=O)COC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)cc1	12599622	ITBXFGVKDFNMHN-UHFFFAOYSA-N	504.605	2.784	0	40	KFAB	
COc1ccc(NC(=O)CN(C)C(=O)c2ccc(NC(=O)C[C@H]3SC(N4CCCC4)=NC3=O)cc2)cc1	12908088	FVYBNFFGJMFNPI-OAQYLSRUSA-N	523.615	2.828	0	40	KFAB	
CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)NC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1	13565710	JHZKZMUCILSYEK-OAQYLSRUSA-N	515.529	2.861	0	40	KFAB	
COc1ccc(CCN2C(=O)[C@@H]3C4C=CC([C@H]3C2=O)[C@H]2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)[C@H]42)cc1OC	17285736	UGZMPGJVXRAOPR-OIHUYFKBSA-N	574.630	2.524	0	40	KFAB	
COc1ccc(C(=O)N/C(=C/c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)C(=O)NC[C@H]2CCCO2)cc1	27023648	AMCXSXUKBUAJGG-CPOKCXMASA-N	525.583	2.669	0	40	KFAB	
COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C	59838395	DQTIIOOXDATUTK-SANMLTNESA-N	571.721	2.994	0	40	KFAB	
CC(=O)N[C@H]1[C@H](Sc2nc3ccccc3n2CCOc2ccccc2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	70712296	JTNYANXZRVQOMD-FXGKLIOSSA-N	599.662	2.864	0	40	KFAB	biogenic
CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)[C@H](O)C1	95912608	PPWWANBMWAQXLQ-ANYXNSTDSA-N	780.993	2.880	0	40	KFAB	biogenic,in-vitro
CCOc1ccc(-c2nnc(SCC(=O)Nc3ccc(S(=O)(=O)Nc4cc(C)nc(C)n4)cc3)n2N)cc1	100884860	STCJKPNYFYZBHJ-UHFFFAOYSA-N	554.658	2.996	0	40	KFAB	
CCCOc1ccccc1N1C(=O)C[C@H](N2CCN([C@H]3CC(=O)N(c4ccccc4OCCC)C3=O)CC2)C1=O	102988212	YZKKHRFYPZDYBA-ZEQRLZLVSA-N	548.640	2.846	0	40	KFAB	
Cc1cc2nnc(SCC(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCOCC3)n2c2ccccc12	103068941	DSTZKBZEMZUSKB-UHFFFAOYSA-N	582.708	2.779	0	40	KFAB	
O=C(COC(=O)c1cccnc1SCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl	150509922	QUSJLALIORQJPP-UHFFFAOYSA-N	788.710	2.957	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	222560319	OIZPDOXOLIIOTO-XMMPIXPASA-N	557.644	2.995	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O	222845086	KCFVHNSZCANHLP-CQSZACIVSA-N	502.420	2.931	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OC	225603136	BOBMGJKRPFPGRZ-UHFFFAOYSA-N	551.687	2.844	0	40	KFAB	
CS(=O)(=O)N1CCc2cc(C(=O)N3C[C@H](C(=O)NCCc4ccccc4)Oc4ccccc43)ccc21	260830857	UPBFXDHDTOSRKE-RUZDIDTESA-N	505.596	2.775	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/[C@H]3C(=O)N(c4ccccc4)N=C3C)c(=O)n2[C@H]1c1ccccc1	409019663	VLETZKFDRQZLSS-PSAVXUCUSA-N	500.580	2.789	0	40	KFAB	
COc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)cc1Cl	13677916	OYKKJFPAFBBDTJ-HNNXBMFYSA-N	516.041	2.926	0	40	KFAB	
CC[C@H](C)N(C(=O)COC(=O)CNC(=O)c1sc2ccccc2c1Cl)[C@@H]1CCS(=O)(=O)C1	14672564	DVZXKZPJQZRKMB-UONOGXRCSA-N	501.026	2.642	0	40	KFAB	
COc1ccc(CCNC(=O)COC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)cc1OC	15980817	TWJHMSMBQYVMEL-OALUTQOASA-N	518.632	2.886	0	40	KFAB	
NC(=O)c1nsc(C(=O)N(Cc2ccco2)[C@@H](C(=O)NCc2ccc(F)cc2)c2ccc(O)cc2)c1N	38145728	STVWARKEULRNRM-OAQYLSRUSA-N	523.546	2.962	0	40	KFAB	
Cc1cccc2cc(CN(CCCN3CCOCC3)Cc3nnnn3CCc3ccccc3)c(=O)[nH]c12	95202041	PZSYFMAFWZXCLY-UHFFFAOYSA-N	501.635	2.790	0	40	KFAB	
CN(C(=O)COC(=O)CSCc1ccc(Cl)c(Cl)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	97982510	LKJVTRQOGQRIFR-UHFFFAOYSA-N	537.425	2.913	0	40	KFAB	
CCN(CC)C(=O)CN1C(=O)[C@]2(N[C@H](CCSC)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)c2ccccc21	103003768	PJFQYXJEWPMYMV-NFCHJMJDSA-N	534.682	2.623	0	40	KFAB	
Cc1n[nH]c(SCCNC(=O)COc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2Cl)n1	222820971	IBGMVPGNKBTABP-UHFFFAOYSA-N	508.025	2.805	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O	223010305	FNDGYTWLJFZEMW-INIZCTEOSA-N	526.453	2.777	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CC(=O)NCCNS(=O)(=O)c2ccc(C)cc2)Cc2ccccc2)cc1Cl	226051024	REFFKAYFKZXNEH-UHFFFAOYSA-N	566.101	2.943	0	40	KFAB	
COC(=O)c1ccccc1NC(=O)[C@H](OC(=O)c1cccc(OC)c1)[C@H](OC(=O)c1cccc(OC)c1)C(=O)O	409377689	KLEACQVDEPBNKM-PKTZIBPZSA-N	551.504	2.965	0	40	KFAB	
Cc1ccc(NC(=O)CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)cc1S(=O)(=O)N1CCCCC1	8685539	YVGSZVMMDPEYPS-QFIPXVFZSA-N	523.615	2.753	0	40	KFAB	
CN1C(=O)C(Cc2cccc3ccccc23)(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)C(=O)N(C)C1=S	20112785	XGVAPKLTYQWYPJ-KNQAVFIVSA-N	514.651	2.865	0	40	KFAB	biogenic
Cc1cccc(N2CCN(C(=O)COc3ccc(Cl)cc3S(=O)(=O)N3CCOCC3)CC2)c1C	22250422	DTVXWZDXZRRIEG-UHFFFAOYSA-N	508.040	2.705	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccnc3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1	33920217	VTBOHUPVNGKJPL-ACEGTKJHSA-N	514.401	2.964	0	40	KFAB	
COc1cc2c(cc1OC)CN(Cc1cc(=O)c(OCC(=O)N3CCN(c4ccccc4)CC3)co1)CC2	49550294	DDGFHHOIQWCTLY-UHFFFAOYSA-N	519.598	2.943	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3Cl)[C@H](C)C(=O)NC[C@@H]3CCCO3)n2)cc1OC	100277235	SVSOARRIOWVQMO-XLIONFOSSA-N	543.024	2.723	0	40	KFAB	
COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(F)cc2)cc1OC	100309857	GARJFSUJRASRPY-VGSWGCGISA-N	557.604	2.664	0	40	KFAB	
COc1cc(C(=O)NCCn2ncc3c(=O)n(Cc4ccc(Br)cc4)cnc32)cc(OC)c1OC	101007943	SNUOVGOJFHTCAC-UHFFFAOYSA-N	542.390	2.860	0	40	KFAB	
O=C(OCCN1CCN(S(=O)(=O)c2ccccc2)CC1)c1cc2cc(Br)ccc2oc1=O	101210538	BQTOLDBIBIZEOE-UHFFFAOYSA-N	521.389	2.719	0	40	KFAB	
CSc1nc2nc(C)c(CCC(=O)N3CCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)c(C)n2n1	102905823	DRMXQMOXORDTHJ-UHFFFAOYSA-N	542.609	2.948	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CCCN(Cc2ccccc2Cl)C1	224489684	WXTNEVNKDAIMJY-OAQYLSRUSA-N	522.067	2.768	0	40	KFAB	
CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)cc1	409030472	DNFRPLYCCDJFJD-HVUZKSCUSA-N	506.580	2.740	0	40	KFAB	
COCCNC(=O)CSc1nc2cc3c(cc2c(=O)n1CCCCCC(=O)NCc1ccc(OC)cc1)OCO3	8673695	PTXIIIYNIYLHOH-UHFFFAOYSA-N	570.668	2.865	0	40	KFAB	
CCOc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)C(C)C)cc1	12486154	VMSOXWTZTCYZNZ-QHCPKHFHSA-N	519.620	2.508	0	40	KFAB	
O=C(COc1ccc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)cc1Br)N1CCOCC1	33684595	NEOCCPVQVWEUCS-UYRXBGFRSA-N	500.349	2.780	0	40	KFAB	
CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)C1	215955033	BVAZJSMWCQWXMC-OAHLLOKOSA-N	534.582	2.963	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O	225517806	XZOAXMRXMHSMFJ-DEOSSOPVSA-N	519.623	2.997	0	40	KFAB	
Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)s1	225838645	ZKUPPEFRFIRRLE-OAHLLOKOSA-N	501.590	2.808	0	40	KFAB	
CC(C)(C)OC(=O)NCC(=O)N1CC[C@H](Oc2cccc(Br)c2)[C@@H](CC(=O)N2CCOCC2)C1	257246818	IVYLJLLPWASGIN-PXNSSMCTSA-N	540.455	2.819	0	40	KFAB	
O=C(C[C@H]1CN(C(=O)CCCn2cccn2)CC[C@@H]1Oc1cccc(Br)c1)N1CCOCC1	257332181	XWCMNYYRNNEJKG-UGKGYDQZSA-N	519.440	2.971	0	40	KFAB	
CC(=O)N1CCC[C@@H](c2cncc(CCC(=O)N3CCN(C)CCCN(C(C)=O)c4ccccc4C3)n2)C1	643554270	NZLCNUCSJBXAEW-XMMPIXPASA-N	520.678	2.852	0	40	KFAB	
CC(=O)N1CCC2(CCCCNC(=O)[C@H](CCCCNC(=O)CCc3ccnn3C)NC(=O)c3ccccc3OC2)CC1	643559868	ODTOASKJFRLHBT-MHZLTWQESA-N	594.757	2.745	0	40	KFAB	
O=C(c1n[nH]c2ccccc12)N1CCCCC2(CCN(Cc3ccncc3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1	643577864	HAAHNSHHIWPMQQ-LOSJGSFVSA-N	535.645	2.522	0	40	KFAB	
COc1cc([C@@H](C(=O)NCCC(C)C)N(C(=O)c2snc(C(N)=O)c2N)C2CCCC2)ccc1O	6134404	SYWMFBUILUUETQ-FQEVSTJZSA-N	503.625	2.827	0	40	KFAB	
COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2c[nH]c3ccccc23)c1	38145173	PIRNECKNMJAWMT-GAJHUEQPSA-N	548.625	2.997	0	40	KFAB	
COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1)Cc1ccccc1	59837905	NNLXTYACOOMBFA-UHFFFAOYSA-N	545.683	2.761	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)N[C@@](C)(c4cccc5ccccc45)C3=O)CC2)c(C)c1	103140149	GOGQLKPOKQCIIZ-NDEPHWFRSA-N	534.638	2.757	0	40	KFAB	
COc1ccc(C(=O)N[C@@H](CO)c2nnc(SCC(=O)Nc3cc(Cl)ccc3OC)n2C)cc1	107745877	NQUWCXVUJFVAMX-KRWDZBQOSA-N	505.984	2.680	0	40	KFAB	
CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)S(C)(=O)=O)cc1	216352142	WVNQRZNBSYHXBA-UHFFFAOYSA-N	533.632	2.698	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	222581846	KRQMGZXRZLXAQO-VWLOTQADSA-N	544.624	2.964	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O	223059464	UXBCECGMCOFJIB-OAHLLOKOSA-N	514.417	2.908	0	40	KFAB	
COc1cccc(CN(C(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C)C(=O)NCC(C)C)c1	224447437	DGFMHEDMOUPIDX-IBGZPJMESA-N	515.632	2.809	0	40	KFAB	
Cc1nc(NS(C)(=O)=O)sc1C(=O)N1C[C@H](C(=O)NCCc2ccccc2)Oc2ccccc21	225876247	REPMGNJRCKHEBB-LJQANCHMSA-N	500.602	2.590	0	40	KFAB	
Cc1c(Cl)cccc1NC(=O)COc1ccc(N2C[C@H](C(=O)NCCCN3CCOCC3)CC2=O)cc1	408573013	BCNIVYOTTZSKFZ-HXUWFJFHSA-N	529.037	2.857	0	40	KFAB	
COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(Br)cc1OCC(=O)O	409022177	HTOAHKRFOSQKCO-FRKPEAEDSA-N	518.320	2.761	0	40	KFAB	
CCCC1=C(C(=O)OCC)[C@H](c2ccc3c(c2)OCO3)n2c(s/c(=C3\C(=O)Nc4ccc(C)cc43)c2=O)=N1	409118661	OYAUMAIGMJERDY-HHUUSFLGSA-N	531.590	2.938	0	40	KFAB	
CCOc1cc(/C=c2\sc3n(c2=O)[C@@H](c2cc(OC)ccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)ccc1OCC(=O)N1CCOCC1	409170910	XYRSKOZQKQGDKZ-WGJPBTIMSA-N	678.808	2.757	0	40	KFAB	
COc1ccc(NC(=O)[C@@H](c2csnn2)N(C(=O)CN2C(=O)c3ccccc3C2=O)C2CC2)c(OC)c1	8748693	JXGDXBZTQUVRFA-JOCHJYFZSA-N	521.555	2.522	0	40	KFAB	
CCCCN(C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1)c1c(N)n(CCC)c(=O)[nH]c1=O	13138208	SHOSFQCSRCMVOF-UHFFFAOYSA-N	513.620	2.801	0	40	KFAB	
O=C(NC[C@@H]1CCCO1)[C@@H](c1ccccn1)N(Cc1ccccc1Cl)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	17414014	XHZCYPIIMFQLEK-RXFWQSSRSA-N	583.066	2.945	0	40	KFAB	
COc1ccc([C@H](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)N(C)S(=O)(=O)c2ccccc2)cc1	19936107	BHDBRWNRAJBSQZ-QFIPXVFZSA-N	503.602	2.733	0	40	KFAB	
COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O	20106915	PNBZCXFEIAQIER-UHFFFAOYSA-N	523.555	2.805	0	40	KFAB	
COCCN(CC(=O)Nc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)cc1	33937212	GRJOQYJANYNCFS-AUSIDOKSSA-N	523.677	2.819	0	40	KFAB	
CC(=O)OC[C@H]1O[C@H](Oc2ccc3c4c(c(=O)oc3c2C)CCCCC4)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	70681143	JELIPEDUSHCZAP-LILOYGOGSA-N	574.579	2.832	0	40	KFAB	biogenic
CCOc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(I)c1OCC(=O)O	197573536	KPGSJPUIAHWBCB-SXGWCWSVSA-N	522.320	2.924	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O	222798616	VTQSFKLTVFWQCD-AWEZNQCLSA-N	502.420	2.931	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)c2cccc(Cl)c2)cc1	224215365	QSOPCVZGIQXRJZ-UHFFFAOYSA-N	582.100	2.989	0	40	KFAB	
C[C@]1(O)COC2(CCN(C(=O)CCCn3c(C(F)(F)F)nc4ccccc43)CC2)C[C@@H]1n1cnc2c(N)nc(N)nc21	257316042	VDWONXPTECGPNX-BVZFJXPGSA-N	587.607	2.913	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409031837	AYMOYRBLXYNIDQ-CJIXEESDSA-N	596.658	2.853	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)cc3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409042236	WUEOQCJJMNEJKO-RNECYNAXSA-N	594.642	2.674	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C)c4ccc(Br)cc43)c(=O)n2[C@H]1c1ccc(OC)cc1	409111088	AZBHVTOYZLBBEP-AGGMBTAESA-N	568.449	2.916	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCCC4)c(OC)c3)c(=O)n2[C@H]1c1ccc(F)cc1	409157407	MNNSOHIOGZKURB-WWFXOLRUSA-N	579.650	2.947	0	40	KFAB	
COCC(=O)N1CCN(CC2(O)CCN(c3ccccc3C)CC2)C[C@](O)(COc2ccc(C)c(C)c2)C1	585282000	FBXBPDCHDRVLSP-SSEXGKCCSA-N	525.690	2.544	0	40	KFAB	
COCC(=O)N1CCN(C(=O)COc2cccc(Cl)c2Cl)CCCCOC[C@H](O)[C@H](O)[C@@H](OC)[C@@H]1CC(C)C	643587066	RSULTVRIRGOGMZ-YDNHHRFVSA-N	593.545	2.638	0	40	KFAB	
Cc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@H](C(=O)NC3CCCC3)c3cccs3)n2)o1	886261	BDQVEBIEYIKORG-DEOSSOPVSA-N	541.678	2.654	0	40	KFAB	
COCCOC(=O)C1=C(N)OC(C)=C(C(=O)OC(C)(C)C)[C@]12C(=O)Nc1ccc(Br)cc12	2807192	ZFQXQGJCOJOUOY-QFIPXVFZSA-N	509.353	2.645	0	40	KFAB	
COCCNC(=O)[C@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C(C)C)cc1	6190813	APMKLULIHUAPJR-NRFANRHFSA-N	511.604	2.804	0	40	KFAB	
CCOc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(OC)c2)cc1	6601462	ZASYEWUHLKVCLW-OFNKIYASSA-N	553.641	2.915	0	40	KFAB	
CCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)CCc2cc(OC)c(OC)c(OC)c2)cc1	8693881	DVQADTKYKNSYCQ-UHFFFAOYSA-N	508.593	2.857	0	40	KFAB	
COc1ccc(Cn2nnnc2CN(CCCN2CCOCC2)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1	12832974	CRFAGOMPOHMCJD-UHFFFAOYSA-N	531.661	2.913	0	40	KFAB	
COC(=O)c1cc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)cc(C(=O)OC)c1	20008219	ZNDNFJSQIJIFIQ-QFIPXVFZSA-N	514.531	2.927	0	40	KFAB	
COc1ccccc1NS(=O)(=O)c1cc(NC(=O)CNC(=O)c2ccccc2F)ccc1N1CCOCC1	102998165	FFHUTLHIRKKAGJ-UHFFFAOYSA-N	542.589	2.840	0	40	KFAB	
CC(=O)O[C@H]1[C@H](n2cc(F)c(=O)[nH]c2=O)OC(COC(=O)c2ccccc2)(COC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1	150418640	ZNYLAWZIZNMCDT-STROYTFGSA-N	646.580	2.815	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C	222712422	WSHDCNDVXNQGTE-HNNXBMFYSA-N	501.436	2.770	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	223023928	WEUPDCPUGNLZBI-MRXNPFEDSA-N	543.459	2.754	0	40	KFAB	
COc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc(OC)c(C(=O)NC(C)C)c3)n2)cc1OC	223599989	OLMARJZFARAOMA-UHFFFAOYSA-N	504.565	2.721	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1	224312890	WZDKFFOSFNCQCQ-HHHXNRCGSA-N	585.704	2.764	0	40	KFAB	
CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	225706845	XFYAZEMIAKCNAZ-NRFANRHFSA-N	505.637	2.802	0	40	KFAB	
CCOC(=O)N1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)CC1	408557264	GDGFXNJXRPIOHY-UHFFFAOYSA-N	526.409	2.929	0	40	KFAB	
COC(=O)C[C@H](c1cccc(OCC(N)=O)c1)c1c(O)c(C(C)=O)cc([C@@H]2OCc3cnc(C)c(O)c32)c1O	524732031	UQWCUWMSTNSNKX-GDJIYFAZSA-N	536.537	2.888	0	40	KFAB	biogenic
Cc1cc(OC[C@@]2(CC(=O)N3CCN(C)CC3)CN(C(=O)Cn3cc(C(F)(F)F)cn3)CCO2)ccc1Cl	585287071	SEJGUTWHFVVQFJ-XMMPIXPASA-N	558.001	2.704	0	40	KFAB	
CC(C)CCO[C@@H]1CN(C(=O)c2ccccc2F)CCN(C(=O)/C=C/c2ccnn2C)CCCCOC[C@@H](O)[C@H]1O	643586490	HQTVMHGMVPRHBY-UWOWBMHTSA-N	574.694	2.507	0	40	KFAB	
CCOC(=O)C1=C(N)n2c(s/c(=C\c3ccc(Cl)cc3)c2=O)=C(C(=O)OC)[C@@H]1c1ccc(Cl)cc1	1823141	WGGVEIMYEKAPFE-XUDLPTGHSA-N	531.417	2.857	0	40	KFAB	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@H]3O[C@H]5CO[C@H](c6cccs6)O[C@@H]5[C@@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O	3831508	NRUKOCRGYNPUPR-CMJCKIRDSA-N	656.662	2.753	0	40	KFAB	
COc1ccccc1N1CCN(C(=O)CCCn2c(=O)[nH]c3ccc(Br)cc3c2=O)CC1	4766549	GWWDKTONQNYRBN-UHFFFAOYSA-N	501.381	2.590	0	40	KFAB	
CC(C)C[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)C(N)=O	6135127	UKOYGZDVMPSONY-YPAWHYETSA-N	520.671	2.644	0	40	KFAB	
C[C@H](C(=O)OCC(=O)Nc1ccccc1F)N1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccccc3F)cc2C1=O	6166185	VLXFLHMEYJYYBG-OAHLLOKOSA-N	565.485	2.927	0	40	KFAB	
O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1	20031596	MISATMGGIYLWMY-RUZDIDTESA-N	527.668	2.677	0	40	KFAB	
CCOC(=O)CN(C(=O)C[S@@](=O)CC(=O)Nc1ccc(C)cc1)[C@H](CC(C)C)C(=O)NCc1ccc(F)cc1	100331214	VLDVVMBURQXASA-KCIZENJTSA-N	561.676	2.944	0	40	KFAB	
COc1ccc(CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@H](C(=O)NC[C@H]2CCCO2)c2cccc(OC)c2)cc1	100341490	IJMHRMKMMPMZAV-IRPSRAIASA-N	607.685	2.914	0	40	KFAB	
CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)CCCNS(=O)(=O)c1ccc3ccccc3c1)n2CC	102895064	MZPUYQMFGWBSKV-UHFFFAOYSA-N	541.630	2.661	0	40	KFAB	
O=C(NCCOC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1cccc(S(=O)(=O)N2CCCCC2)c1	102939655	SZIGGUDWJFWZBO-UHFFFAOYSA-N	563.698	2.623	0	40	KFAB	
COc1ccccc1-c1nnc(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)n1C	103072379	OLGRUSOZCMRLSY-UHFFFAOYSA-N	572.713	2.843	0	40	KFAB	
COCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	223506921	LBMQGAWXGBNDOD-SSEXGKCCSA-N	611.717	2.628	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	223742119	WVMLZKCURFACDG-MRXNPFEDSA-N	512.028	2.677	0	40	KFAB	
COC(=O)CSc1nnc(NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)s1	224911502	SADNAAQQRFYPGN-UHFFFAOYSA-N	522.630	2.954	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1ccccc1C)[C@H](C)C(=O)NC(C)C)c1ccc2c(c1)OCCO2	260737484	MIUWQYSRJOMBJW-HXUWFJFHSA-N	517.648	2.864	0	40	KFAB	
COc1ccc(N(CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)S(C)(=O)=O)cc1OC	408629975	LOOLDKPVSSXKNP-UHFFFAOYSA-N	501.527	2.837	0	40	KFAB	
CCc1cc(Br)ccc1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2c(OC)cccc2OC)C1	408663420	YCRXADURRYAMKD-HNNXBMFYSA-N	548.390	2.704	0	40	KFAB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(O)c(OC)c4)c(=O)n32)cc1OCC	408933000	GLQRNTIVMYGEDQ-HIFDDZRDSA-N	510.568	2.530	0	40	KFAB	
CS(=O)(=O)N(CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc(Cl)c(Cl)c1	409029277	YESDJELVDFEIDI-UHFFFAOYSA-N	500.404	2.833	0	40	KFAB	
CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3cc(I)c(OCC(=O)O)c(OC)c3)c2=O)=N1	409036421	RHCIPZFSLYIFJR-LPRAYXGFSA-N	634.448	2.875	0	40	KFAB	
CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OC(C)C)=C(C)N=3)ccc1OCC(=O)N1CCOCC1	409153253	MGYFEZXBVIZWCT-AHNSQEAUSA-N	635.739	2.832	0	40	KFAB	
CCOc1cc(CN2CC[C@](O)(CN3CCN(c4ccccc4)CC3)C2)ccc1OCCN1CCOCC1	585272011	IMTCLRHCFBGSBR-PMERELPUSA-N	524.706	2.555	0	40	KFAB	
CC(C)CCCCCCNC(=O)[C@@H]1CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCOc2ccccc2C(=O)N1	643575653	XHBJYAWOVKQMAE-CPCREDONSA-N	701.869	2.975	0	40	KFAB	
COc1ccc([C@H](C(=O)NCc2ccccc2)N(CCN2CCOCC2)C(=O)Cn2nnc3ccccc32)cc1	7059843	UZOCLYXNSHPTQQ-GDLZYMKVSA-N	542.640	2.658	0	40	KFAB	
CCOC(=O)C12C(C)=CC(C)([C@H]3C(=O)N(c4ccc(OC(C)=O)cc4)C(=O)[C@@H]31)[C@H]1C(=O)N(c3ccc(OC(C)=O)cc3)C(=O)[C@H]12	8397151	BVJDYHYRDSMKSB-JDDWVMDBSA-N	614.607	2.978	0	40	KFAB	
COc1ccc(N(CC(=O)NCc2ccc(F)cc2)C(=O)Cn2nnc(-c3ccc(C)o3)n2)cc1OC	12471243	UDSYUSLXQDBMGH-UHFFFAOYSA-N	508.510	2.747	0	40	KFAB	
C[C@H](c1nnc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)n1C)N1C(=O)COc2ccccc21	15019062	XASGIAWFWZKQHF-QGZVFWFLSA-N	508.604	2.869	0	40	KFAB	
COc1cc2cc([C@@H](c3nnnn3C(C)(C)C)N3CCN(c4ccc(O)cc4)CC3)c(=O)[nH]c2cc1OC	20084108	TYLDQMYKTREVKH-DEOSSOPVSA-N	519.606	2.904	0	40	KFAB	
COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2)cc1OC	38145008	JZBABAPOZUQWCY-JTSKRJEESA-N	539.614	2.525	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1	59852656	IMIUSABSLZLQDN-UHFFFAOYSA-N	570.531	2.831	0	40	KFAB	
CCn1cc(C(=O)N2CCN(CC(C)C)CC2)c(S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)n1	67338060	WTLLXEXBYBHYQE-UHFFFAOYSA-N	537.130	2.790	0	40	KFAB	
O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)n1	97949022	OUFCELQZNXGVPU-UHFFFAOYSA-N	631.656	2.768	0	40	KFAB	
CCN(C(=O)COC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	105578800	ISQAGXLWQVNNMG-LEVZQSSMSA-N	515.010	2.641	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3OC)c(=O)n2[C@H]1c1cc(OC)ccc1OC	107348358	SBNHCTJVZLEOFB-JUTHHCEFSA-N	539.566	2.732	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	222510373	IWLHXDZXVUEUCP-VWLOTQADSA-N	557.644	2.995	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(CN2CCCCCC2)cc1	224482143	ZKHBCZPDOFVMTP-UHFFFAOYSA-N	501.649	2.892	0	40	KFAB	
COC(=O)c1cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3OC)C2)cc(C(=O)OC)c1	408584304	NYBICINPTGTIHI-CQSZACIVSA-N	524.979	2.961	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc2OC)cc1	409027455	CRVUFAJEEARWQI-UHFFFAOYSA-N	575.665	2.559	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OCCN3CCCCC3)cc2)C[C@](O)(COc2ccc(F)c(F)c2)C1	585275138	YEITZDQJQKHEHX-GDLZYMKVSA-N	547.643	2.930	0	40	KFAB	
COc1ccc(CCCNC(=O)[C@@H]2CC(=O)N[C@@H](C(C)C)C(=O)N(C)CC(=O)N[C@H](Cc3ccccc3)COc3ccccc3C(=O)N2)cc1OC	643574806	RVMYTYWOCHDDTG-WNTALZMFSA-N	715.848	2.660	0	40	KFAB	
O=C(CN1CCCCCOc2ccccc2N(CC(=O)N2CCC(CO)CC2)c2cncc(c2)C1=O)N1CCC(CO)CC1	643585297	WSTSGLRWIQBWSC-UHFFFAOYSA-N	607.752	2.686	0	40	KFAB	
CCCCOC(=O)[C@H](C)OC(=O)[C@H](C)OC(=O)CCCCC(=O)O[C@@H](C)C(=O)O[C@H](C)C(=O)OCCCC	4896101	VSCKCJFDUFVCNU-YRPNKDGESA-N	546.610	2.960	0	40	KFAB	
CCc1cc(=O)oc2cc(OCC(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCOCC3)c(Cl)cc12	11866691	FIXNEHUORBPWCL-UHFFFAOYSA-N	592.070	2.884	0	40	KFAB	
O=C(CN1C(=O)N[C@]2(CCCc3sccc32)C1=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	13133803	VNBXVHZKARALGZ-QHCPKHFHSA-N	502.618	2.645	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3ccc(OC(F)(F)F)cc3)CC2)c(C)c1	14358962	BLXZYWPULGFYOG-UHFFFAOYSA-N	500.495	2.892	0	40	KFAB	
COc1ccc(CCN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccncc2)cc1OC	17376534	ZCFPVQZTCBOCCJ-MUAVYFROSA-N	558.639	2.951	0	40	KFAB	
COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)c(Cl)c2)cc1	59852197	VUTRXWPKSCXTCA-UHFFFAOYSA-N	610.110	2.866	0	40	KFAB	
COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1	59853093	YAMZIZDQXDOCMW-QHCPKHFHSA-N	531.612	2.970	0	40	KFAB	
COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1C	59929752	MTXBREIJOKFDEH-RUZDIDTESA-N	551.665	2.966	0	40	KFAB	
COc1ccc(NC(=O)c2ccc(CN(c3ccccc3F)S(=O)(=O)N(C)C)cc2)cc1S(=O)(=O)N1CCOCC1	113491003	RTLHRGPPTXKGBN-UHFFFAOYSA-N	606.698	2.921	0	40	KFAB	
CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)O[P@](=O)(O)C(Cl)(Cl)P(=O)(O)O)[C@H](O)[C@H]1O	218399854	PAEBIVWUMLRPSK-JMLLCIOISA-N	776.366	2.851	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(CC(=O)N4CCCC4)cc3)C2)cc1OC	222573198	NIHOPQGUBOKWFV-HXUWFJFHSA-N	515.632	2.908	0	40	KFAB	
CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	222834561	HXEOTTBBHOTYKQ-QHCPKHFHSA-N	522.643	2.779	0	40	KFAB	
CCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C	224543054	AHLPLZSOMIEJEZ-QHCPKHFHSA-N	518.680	2.868	0	40	KFAB	
CCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O	225372338	SVGBOFJEEIPNMR-QHCPKHFHSA-N	505.637	2.803	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N(CC(=O)NCCNS(=O)(=O)c2ccc(C)cc2)C2CCCCC2)cc1	226063840	CGZMOFGQNCXEHV-UHFFFAOYSA-N	537.704	2.812	0	40	KFAB	
CC(C)(C)OC(=O)NCc1ccc(C(=O)N(Cc2ccccc2)C[C@@H]2C[C@H](O)[C@H](O)[C@H]2n2ccc(O)nc2=O)cc1	257306078	SSUWDLLQECRFJY-LCGRTSHQSA-N	564.639	2.599	0	40	KFAB	
CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(F)c(F)c1	408695964	WZNADFUJWRZGRU-UHFFFAOYSA-N	502.546	2.627	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	408701024	QEZODNQDIYDZPR-UHFFFAOYSA-N	521.661	2.833	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\[C@@H]3C(=O)NC(=S)N(c4ccc(C)c(C)c4)C3=O)c(=O)n2[C@@H]1c1ccc(C)cc1	408830086	XZSIOGJTOGJOGP-LKACHVPPSA-N	588.711	2.739	0	40	KFAB	
CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCCc2ccccc2)CCC(=O)N[C@@H](Cc2ccccc2)C1=O	643569426	UXYHHRNHXDGQFG-NSOVKSMOSA-N	570.690	2.893	0	40	KFAB	
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)C[C@@H](C(=O)N2CCN(C)CC2)NC(=O)c2ccccc2OCCCCCCN(C)C1=O	1615161829	XMYHMMHZSAQBKG-CPCREDONSA-N	690.886	2.619	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Cl)c(S(=O)(=O)NCc4ccco4)c3)CC2)cc1	3314535	JEZUICUHNOGAIU-UHFFFAOYSA-N	538.047	2.867	0	40	KFAB	
CCOC(=O)CNC(=O)[C@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)c(Cl)c1	6546990	JSJDDNRQQKTOKL-FQEVSTJZSA-N	547.996	2.993	0	40	KFAB	
COc1ccc(-n2nc3c(c2NC(=O)c2ccc(S(=O)(=O)N4CCOCC4)cc2)CSC3)cc1	9363803	VEGSUPABMWKKJM-UHFFFAOYSA-N	500.602	2.901	0	40	KFAB	
C[C@@H](NC(=O)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O)c1ccc(S(N)(=O)=O)cc1	12523144	HTXPYSAGDHXFOK-CYBMUJFWSA-N	511.025	2.960	0	40	KFAB	
O=C(NC1CCCC1)[C@H](c1ccc(O)cc1)N(C[C@H]1CCCO1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1	12702727	LIJZFSLTADFKIA-NOZRDPDXSA-N	522.581	2.993	0	40	KFAB	
COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCCN4CCOCC4)CC(=O)N32)cc1OC	20411731	BYJOPWCQKZHZTA-FIPFOOKPSA-N	518.614	2.592	0	40	KFAB	biogenic
O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	22229070	ZTGIYGQXLNQECS-UHFFFAOYSA-N	505.902	2.635	0	40	KFAB	
COCc1nn2c(nnc3c(=O)n(NC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)c1-c1ccccc1	40391280	SYPVTAXHDZGGLW-UHFFFAOYSA-N	516.514	2.662	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1	72136073	SHQWGIWGQGZRLS-UHFFFAOYSA-N	575.665	2.802	0	40	KFAB	
O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc(Cl)cc1	102101772	QZHNPMOVICOKIV-NRFANRHFSA-N	537.970	2.837	0	40	KFAB	
Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CSc2nnc(-c3ccc4c(c3)OCO4)n2-c2ccccc2)CC1	102851068	WQFQOCXGSJSKCQ-UHFFFAOYSA-N	582.664	2.893	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1	223011623	ZNRUQJSQKPJCNH-UHFFFAOYSA-N	608.507	2.928	0	40	KFAB	
Cc1cc(OCC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc(C)c1Br	224466646	WUKKWTYYFXCPRF-UHFFFAOYSA-N	527.437	2.661	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl	224473986	FOZIDEDSZOJSNO-UHFFFAOYSA-N	580.084	2.971	0	40	KFAB	
COC(=O)COc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1I	409022885	VJRIZCIPOUOLBO-LICLKQGHSA-N	549.321	2.683	0	40	KFAB	
O=S1(=O)C[C@@H](O)[C@H](N(c2ccccc2)S(=O)(=O)c2cc(Br)ccc2Br)C1	575421237	HLSLLBXJVPUAPV-HUUCEWRRSA-N	525.240	2.565	0	40	KFAB	
O=C(O)CN(Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)c1cc(-c2ccccc2Cl)on1	585268701	FLRRQGYIWYDGFJ-UHFFFAOYSA-N	519.963	2.743	0	40	KFAB	
Cc1ccccc1OCCN(C)C(=O)[C@@H]1CCC(=O)N[C@H](Cc2ccccc2)C(=O)N(C)CCOc2ccccc2C(=O)N1	643580104	KLALBSULQQDBBQ-WUFINQPMSA-N	600.716	2.989	0	40	KFAB	
COc1cccc(-c2ccc3c(c2)NC(=O)CN2CCN(S(=O)(=O)c4c(C)noc4C)C[C@@H]2CO3)c1	1772594681	KKCQPXUMEPZPBS-HXUWFJFHSA-N	512.588	2.673	0	40	KFAB	
CCN1C(=O)/C(=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OC(C)C)=C(C)N=3)c2ccccc21	635489	QGIQMSXODMZKCL-AYWGPLOBSA-N	517.607	2.932	0	40	KFAB	
CCOC(=O)c1sc(NC(=O)CSc2nnc(-c3ccc(NS(C)(=O)=O)cc3)n2C)nc1C	6088643	DZBNWANZYWFWAA-UHFFFAOYSA-N	510.623	2.526	0	40	KFAB	
CCOc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(Cc2ccccc2)C(=O)c2snc(C(N)=O)c2N)cc1	6601418	ZRWMVYJCRFLHLM-REWPJTCUSA-N	537.642	2.902	0	40	KFAB	
CC(=O)Oc1ccc(C(=O)[C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3[C@H]3C=CC=NN23)cc1	8738151	FZSSCWNLRCNLKE-CGXNFDGLSA-N	508.328	2.971	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1	8774311	ULHQDXPIXNFKMM-UHFFFAOYSA-N	567.620	2.720	0	40	KFAB	
C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)C[C@@H](C)O1	12561367	OLXUFKPDOUDTIR-HDICACEKSA-N	507.634	2.521	0	40	KFAB	
CSc1cccc(N2C[C@@H](C(=O)N(CC(C)C)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)CC2=O)c1	24764784	KKZYRCRIKFFLTM-IBGZPJMESA-N	521.643	2.931	0	40	KFAB	
CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NCc1ccc(CN3CCOCC3)cc1)O2	38831917	OTTDNYQEGGYAJI-XMMPIXPASA-N	501.649	2.660	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)cc1	59838617	BBLPCHGFPBMHJA-INIZCTEOSA-N	534.487	2.961	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(Cc3ccc4c(c3)OCO4)[C@H](C)C(=O)NC3CCCC3)n2)cc1OC	100276312	PUCYXRNMYVIXAR-QGZVFWFLSA-N	536.589	2.562	0	40	KFAB	
CC1(C)S[C@@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1	101398427	QZFSYDPWLFYXEW-VYKTZEHYSA-N	536.698	2.601	0	40	KFAB	
COCCn1c(-c2ccccc2)cs/c1=N/c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1	102935839	RDSUYZIONGXCAQ-CYYJNZCTSA-N	544.699	2.953	0	40	KFAB	
COc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@H]3C[C@@H](O)CN3S(=O)(=O)c3ccc(C)cc3)ccc2C)cc1	102999370	CVOVVFDHILIZOV-ZJSXRUAMSA-N	559.666	2.875	0	40	KFAB	
COc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)c(OC)c1	224654515	YTBHHJFRCCPDEV-KRWDZBQOSA-N	509.600	2.551	0	40	KFAB	
C[C@H]1CCCCN1c1cc(N2CCN(c3ccccc3)CC2)nc(NC(=S)NCCN2CCOCC2)n1	225904493	URKSGVUPVBQHCA-QFIPXVFZSA-N	524.739	2.801	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCCC4)cc3)c(=O)n2[C@@H]1c1ccccc1	409155955	SEBOKBQILLFYSJ-CVMWMZFYSA-N	531.634	2.800	0	40	KFAB	
CCOC(=O)CNC(=O)[C@@H](c1cccs1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)c(C)c1	6546849	DEZAXEHTDIHEAR-LJQANCHMSA-N	515.617	2.570	0	40	KFAB	
Cc1c(Cl)ccc2c1NC(=O)[C@@]21N[C@@H](CCC(N)=O)[C@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]21	16009806	OKVIFIZETMQGRF-FFUSMKSVSA-N	502.958	2.992	0	40	KFAB	
COCCn1nnnc1[C@H](c1cc2cc(OC)ccc2[nH]c1=O)N1CCN(c2cc(C)ccc2C)CC1	19973259	GDOGLIOZZIJENX-VWLOTQADSA-N	503.607	2.698	0	40	KFAB	
CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](Cc4ccc(O)cc4)N[C@@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)cc1	20533443	HBPDCJCYTCWGJM-NLJXWPIHSA-N	515.497	2.624	0	40	KFAB	
O=C(NC[C@H]1CCCO1)[C@H](c1ccncc1)N(Cc1ccccc1Cl)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	33356918	AAPMPJKZWNULAR-RLWLMLJZSA-N	583.066	2.945	0	40	KFAB	
COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2)c1	59838505	LNYFRYSLMUSPRE-UHFFFAOYSA-N	565.714	2.596	0	40	KFAB	
COC(=O)Cn1c(=O)c(C(=O)COC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)c(N)n(Cc2ccccc2)c1=O	103061509	HKFPDFGIOPCPHH-UHFFFAOYSA-N	582.569	2.970	0	40	KFAB	
NS(=O)(=O)c1ccc(NC(=O)[C@@H]2Sc3[nH]c(=O)sc3[C@H]3c4cc(Br)ccc4OC(=O)[C@@H]23)cc1	222109904	GVXFLXRNUUZJOC-RRFJBIMHSA-N	568.452	2.626	0	40	KFAB	
COC(=O)[C@H]1CN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3OC)C2)c2ccccc2O1	222597463	WRTVEMBAPHTZIZ-FOIQADDNSA-N	508.980	2.717	0	40	KFAB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1CCCN1CCOCC1	223178912	CHUJTXKLJKCHIS-KAYWLYCHSA-N	526.751	2.917	0	40	KFAB	
COC(=O)CSc1nnc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)s1	225348261	GLBWDJWJBSIUOA-UHFFFAOYSA-N	505.043	2.637	0	40	KFAB	
CO[C@@H]1CN(C(=O)c2ccccc2F)C[C@@H](CC(C)C)N(C(=O)CN2CCN(c3ccccc3)CC2)CCCCOC[C@@H](O)[C@H]1O	643586728	ZKQJRKPYSGUOMJ-MCXHKDKDSA-N	642.813	2.881	0	40	KFAB	
CCOc1ccc(N(CC(=O)NCCC(C)C)C(=O)Cn2nnc(-c3ccc(OC)c(OC)c3)n2)cc1	6600903	YSSKGOYMBPYHIL-UHFFFAOYSA-N	510.595	2.952	0	40	KFAB	
CCCCCN(C(=O)CCC(=O)OCC(=O)c1cccc(OC)c1)c1c(N)n(CCCC)c(=O)[nH]c1=O	12931017	GBVZEPFJLPUCBJ-UHFFFAOYSA-N	516.595	2.657	0	40	KFAB	
CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O	22446654	CBVCZFGXHXORBI-WTUKIFRESA-N	613.803	2.867	0	40	KFAB	
C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1Cc1sc(NC(=O)C3CCCCC3)nc1[C@H]2CC(=O)NCCN1CCOCC1	35973865	MHLHSFQSLMWLPW-RUMONJKUSA-N	562.777	2.916	0	40	KFAB	biogenic,in-vitro
COc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@@H](C(=O)NC[C@@H]3CCCO3)c3ccco3)n2)cc1OC	100277513	SDQUVHJODLQOJL-UQBPGWFLSA-N	550.572	2.609	0	40	KFAB	
CCOc1cc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]2[C@H]2C[C@@H]3[C@H]3C(=O)N(CCCC(=O)O)C(=O)[C@H]23)ccc1O	101175665	ZFUKKOJNNQZJMT-GYLBAJRUSA-N	530.624	2.879	0	40	KFAB	
O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N(C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ncccn1	102937680	FARYGETXMBPLAJ-UHFFFAOYSA-N	569.665	2.533	0	40	KFAB	
CC(C)OCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(C)S(C)(=O)=O	223469938	GTYRJAWYNCNRCY-XMMPIXPASA-N	507.628	2.718	0	40	KFAB	
CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	225082940	TYAORVUQLZHFJK-NRFANRHFSA-N	505.637	2.803	0	40	KFAB	
O=C(C[C@H]1CN(C(=O)CCn2ccnc2)CC[C@@H]1Oc1cccc(Br)c1)N1CCOCC1	257332157	XVZHBFRWPVCPQT-RXVVDRJESA-N	505.413	2.581	0	40	KFAB	
COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc4c(c3)OCO4)S(C)(=O)=O)cc2)c1	408545280	JXXBJZZAZNBBME-UHFFFAOYSA-N	563.610	2.638	0	40	KFAB	
CCc1cccc(C)c1NC(=O)COc1ccc(N2C[C@H](C(=O)NCCCN3CCOCC3)CC2=O)cc1	408580974	SDMKPHGWTZQJNO-HSZRJFAPSA-N	522.646	2.766	0	40	KFAB	
COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)C2=O)cc1	409163321	PPIJKSSTRDCVII-KGENOOAVSA-N	511.556	2.608	0	40	KFAB	
COc1cc([C@H](CC(=O)NC[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)c2oc(C)cc(=O)c2O)ccc1O	524730471	KOLDXNBRTHNRJM-OALUTQOASA-N	552.580	2.973	0	40	KFAB	biogenic
COCC(=O)N1CCN(Cc2ccc(OCCCN3CCCCCC3=O)c(OC)c2)C[C@@](O)(COc2ccccc2)C1	585281262	XWTPZTPRJBIZCP-YTTGMZPUSA-N	583.726	2.967	0	40	KFAB	
COC[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N(Cc2ccccc2)CC(=O)N[C@@H](C(C)C)COc2ccccc2C(=O)N1	643579345	TZOYPLHQWIKKIU-DOEKTCAHSA-N	578.710	2.765	0	40	KFAB	
CCN(CC)C(=O)CN1CC[C@H]2NC(=O)[C@@H](Cc3ccccc3)NC(=O)C3(CC=CC[C@H]2C1)CCOCC3	2037879454	XHKLATUYFIAALW-JIMJEQGWSA-N	524.706	2.536	0	40	KFAB	
CC[C@H](C)[C@@H](NC(=O)[C@@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O	4574682	MLLNBNIWCJUKEH-ZUDIISFQSA-N	582.698	2.757	0	40	KFAB	
CC(=O)OC[C@H]1O[C@@H](Sc2ccccc2)[C@@H](N[C@H](O)C(Cl)(Cl)Cl)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	8497596	KOGJCNZKPPVDLZ-MJJLTSLDSA-N	544.837	2.577	0	40	KFAB	
COCCn1nnnc1[C@H](c1cc2cc(OC)ccc2[nH]c1=O)N1CCN(c2cccc(Cl)c2)CC1	20083805	PZOPGXLVUPIUTC-QHCPKHFHSA-N	509.998	2.735	0	40	KFAB	
CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCN(Cc2cc(=O)n3nc(-c4ccccc4)sc3n2)CC1	101494767	MIJLSPBCKBLAJD-UHFFFAOYSA-N	538.655	2.591	0	40	KFAB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1	224447038	RSRFXOZZIMCJMC-UHFFFAOYSA-N	594.111	2.751	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O	225452662	TWBFBPOTNIZPFA-MRXNPFEDSA-N	526.453	2.695	0	40	KFAB	
COC(=O)CSc1nnc(NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)s1	225784844	OMYNPNUNXVWYOS-UHFFFAOYSA-N	518.948	2.880	0	40	KFAB	
CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2[C@@H](O)C[C@@]3(C)[C@@H]4C[C@@H](O)[C@@H]5C(C)(C)[C@H](O[C@H]6OC[C@@H](O)[C@@H](O)[C@H]6O)CC[C@@]56C[C@@]46CC[C@]23C)O1	257199184	VXHVFDQYSSFKAR-COXAVFOQSA-N	622.840	2.900	0	40	KFAB	
CC(C)(C)OC(=O)NCCOc1ccc(C(=O)N[C@@H]2C[C@H](n3cnc4c(NCc5ccccc5)ncnc43)[C@H](O)[C@@H]2O)cc1	257302360	SCPKFIACBLCXNC-RYJQUDHMSA-N	603.680	2.807	0	40	KFAB	
COC(=O)c1cc(NC(=O)CN(c2ccc(Br)c(C)c2)S(C)(=O)=O)cc(C(=O)OC)c1	408630311	RNOKGLCWEKMNJM-UHFFFAOYSA-N	513.366	2.735	0	40	KFAB	
Cc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@H](C(=O)NC3CCCCC3)c3cccs3)n2)o1	888472	KIQXGRCAOFOUDJ-DEOSSOPVSA-N	541.678	2.654	0	40	KFAB	
COc1ccc(NC(=O)O[C@@H]2CC[C@@]3(C)[C@H](CC(=O)N4CC[C@@H](O)C4)[C@H](O)CC[C@@H]3[C@]2(C)CO)cc1	4236666	BEVVNMCLLYCNRY-LFLRVGSHSA-N	504.624	2.781	0	40	KFAB	biogenic,in-vitro
COCCNC(=O)[C@@H](c1ccc2ncccc2c1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)cc1	6245125	RCPBUYZDWHBROH-JOCHJYFZSA-N	518.599	2.832	0	40	KFAB	
CCOc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc3c(c2)OCCO3)cc1	6601457	CUNJRTCPXSPQHY-DVECYGJZSA-N	581.651	2.677	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OC)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1	9041433	LCYMZGIMYHTYLR-LJJBLSSYSA-N	522.579	2.741	0	40	KFAB	
COc1ccc(CCNC(=O)[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C(C)C)cc1	16039294	ITGLJAFSVJDFKD-RUZDIDTESA-N	515.676	2.904	0	40	KFAB	
COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1	59838417	PPZIEEFMADNADS-QFIPXVFZSA-N	566.101	2.805	0	40	KFAB	
Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)ccc12	150340496	BPXNNDRYRRUSMM-CAVYSCNFSA-N	721.812	2.710	0	40	KFAB	in-vitro
CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	222904668	ZPOKVIATERSKOD-MRXNPFEDSA-N	512.028	2.677	0	40	KFAB	
O=C(NCCN1CCOCC1)[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	223372798	GCUDAWPCWOMEBU-YTTGMZPUSA-N	671.216	2.958	0	40	KFAB	
CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225090776	XFTLWLUYFSRQCL-NRFANRHFSA-N	503.621	2.557	0	40	KFAB	
CC(C)N1CCN2C(=O)c3ccccc3OCC[C@@H]3CC[C@@H](NC(=O)CC(C)(C)C)[C@@H](CNC(=O)[C@@H]2C1)O3	253408394	XUNGDYOUCDRXCX-FEVSWUGISA-N	528.694	2.589	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC[C@@](COc3ccc(F)cc3)(CC(=O)N3CCN(C)CC3)C2)cc1	257276352	NTHWPPLVXWPVFD-AREMUKBSSA-N	519.639	2.848	0	40	KFAB	
CO[C@H]1[C@H](O)[C@H](C)O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@H]4[C@H]3CC[C@]3(C)[C@H](C5=CC(=O)OC5)[C@H](OC(C)=O)C[C@]43O)C2)[C@@H]1O	257347136	UZQOZJNEDXAJEZ-MLORXKSGSA-N	592.726	2.652	0	40	KFAB	
CC(=O)Nc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3Cl)C2)cc1	408661340	VLZAZCQDMGAYGW-ZDUSSCGKSA-N	507.330	2.627	0	40	KFAB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(I)c(OCC(=O)OC)c(OC)c4)c(=O)n32)cc1OCC	408942688	KYDZWKVLWMPQOR-UTWPHBJQSA-N	708.527	2.981	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)O)c(Br)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	409022283	LYANCPNMMMLMIZ-KRYRSDKMSA-N	601.431	2.753	0	40	KFAB	
CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(Br)cc1OCC(=O)O	409203317	WJIJYFPRASYPMA-FRKPEAEDSA-N	536.310	2.982	0	40	KFAB	
CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(Br)c1OCC(=O)OC	409401415	TUPBSGBGXDOMBA-NVNXTCNLSA-N	537.319	2.872	0	40	KFAB	
CCN1CC(=O)N[C@@H](C(C)C)COc2ccccc2C(=O)N[C@H](C(=O)NCCCc2ccc(OC)c(OC)c2)CCC1=O	643577967	KUJHQBDPGPXXEJ-LOSJGSFVSA-N	596.725	2.713	0	40	KFAB	
CCCN1CCC2(CCOc3cc(-c4ccccc4)ccc3S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)N2)CC1	1548889838	KXGHCTJUAOIXKM-PKTZIBPZSA-N	513.660	2.621	0	40	KFAB	
O=C(CCc1nnc2n(Cc3ccc(Cl)cc3)c(=O)c3ccccc3n12)NCCCN1CCCC1=O	9831462	RKQPDFSWCCCCDT-UHFFFAOYSA-N	506.994	2.807	0	40	KFAB	
Cc1ccc(C(OC[C@H]2O[C@@H](n3ncc(N)nc3=O)[C@@H](O)[C@@H]2O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1	12656159	WINPBGKQLPWUPD-AOGFTHLWSA-N	528.609	2.774	0	40	KFAB	
O=C(NC1CCCC1)[C@H](c1ccc(O)cc1)N(C[C@@H]1CCCO1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1	12702713	LIJZFSLTADFKIA-ZCYQVOJMSA-N	522.581	2.993	0	40	KFAB	
CC[C@@H](C)[C@H](NC(=O)C1CCN(C(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)CC1)C(=O)O	12866106	PTQHESDZOGJFKJ-COPCDDAFSA-N	509.669	2.542	0	40	KFAB	biogenic
COc1ccc([C@H](CNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)N2CCOCC2)cc1	12939326	HHNOVFNLEVHXNT-SANMLTNESA-N	509.628	2.977	0	40	KFAB	
CC(=O)N[C@@H](Cc1ccccc1F)C(=O)NC1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1	13565633	RUDJLLZDNQEJFS-NRFANRHFSA-N	515.529	2.861	0	40	KFAB	
CC(=O)Nc1ccc2c(COC(=O)c3cccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)c3)cc(=O)oc2c1	14359524	LKLPMXCJEWPJKY-HOTGVXAUSA-N	514.556	2.906	0	40	KFAB	
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3F)S(=O)(=O)N(C)C)cc2)c(OC)c1	59853638	RPLFMAIAVMOZAK-UHFFFAOYSA-N	566.633	2.895	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(C[C@H]3CCCO3)[C@H](C(=O)NC(C)(C)C)c3ccc(C)o3)n2)cc1OC	100276067	HVEMTLAXTXUGQH-DVECYGJZSA-N	540.621	2.922	0	40	KFAB	
C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)NCc4ccco4)cc3)cc2)C[C@@H](C)O1	102970612	BBZFAXXURUMCKZ-QZTJIDSGSA-N	533.628	2.808	0	40	KFAB	
C[C@H](OC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	103136190	CGEOVZCEIVFLJS-SFHVURJKSA-N	563.588	2.692	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1	223070634	IBSFDRDYEKXQHK-KRWDZBQOSA-N	510.454	2.931	0	40	KFAB	
CN(CC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccc2c(c1)OCO2)S(C)(=O)=O	223187238	BTJINZSWJGRXMT-DEOSSOPVSA-N	555.628	2.702	0	40	KFAB	
CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	225092917	RWRSOHJXKDVOQC-NRFANRHFSA-N	503.621	2.905	0	40	KFAB	
CC(=O)Nc1ccc(NC(=O)COC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1	408684400	JWZBWNMJOLDVTI-MXRFJIIXSA-N	503.555	2.769	0	40	KFAB	
COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C(=O)N1CCCCC1	408693541	ZFVYSRNWHIGTMJ-UHFFFAOYSA-N	507.634	2.907	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C)c4ccc(Br)cc43)c(=O)n2[C@@H]1c1cccs1	409119947	RFFHOSJXLUKSIP-LYHOESIGSA-N	544.452	2.969	0	40	KFAB	
CSCC[C@H](NC(=O)[C@@H](C)NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)O	8790066	FEFNBLCJYQDJLI-MJGOQNOKSA-N	507.653	2.783	0	40	KFAB	biogenic
CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(F)cc1	9694809	ZICZPCBSWZWURM-UHFFFAOYSA-N	512.629	2.642	0	40	KFAB	
CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N12)C(=O)N[C@@H](C)C(=O)O	12886415	WBMOUMRUWNKLGQ-KZLNDFDWSA-N	502.571	2.758	0	40	KFAB	biogenic
O=c1[nH]c2cc3c(cc2cc1CN(CCc1ccccc1)Cc1nnnn1C[C@@H]1CCCO1)OCCO3	20109367	MNQYSTHVEQYKGW-QFIPXVFZSA-N	502.575	2.710	0	40	KFAB	
COc1ccc(C)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)S(C)(=O)=O	22512792	YAYGMRIWNLGWEF-UHFFFAOYSA-N	504.590	2.604	0	40	KFAB	
COc1ccc(C(=O)NCCc2nnc3ccc(SCC(=O)NCCc4ccc(OC)c(OC)c4)nn23)cc1	38139057	XFXBTETXPSQFNL-UHFFFAOYSA-N	550.641	2.574	0	40	KFAB	
COCCN(C(=O)COC(=O)c1ccccc1Nc1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	38139688	KJRHVEXKOYQMGW-UHFFFAOYSA-N	543.580	2.747	0	40	KFAB	
COc1ccc(OC)c(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c1	223732079	OSJZSKGTNVYIRZ-IBGZPJMESA-N	517.648	2.946	0	40	KFAB	
CCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OCC)cc1)S(C)(=O)=O	224568976	CVOKTJQDCPXJDP-QHCPKHFHSA-N	505.637	2.803	0	40	KFAB	
CCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O	225377974	SZXVOYZFJGHTER-XMMPIXPASA-N	517.648	2.997	0	40	KFAB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-n1cnnc1	225388353	RHXYRAVWPRRLLC-VXKWHMMOSA-N	508.633	2.951	0	40	KFAB	
CCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	225408868	OAJJCNKKWVCQSA-OAQYLSRUSA-N	519.620	2.524	0	40	KFAB	
CCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	225412378	QETJODWDHLHDDO-JOCHJYFZSA-N	533.647	2.914	0	40	KFAB	
CO[C@H](/C=C/CC/C=C/C(=O)O)[C@H](O)[C@H](C)[C@H](O)/C(C)=C/[C@H](C)C(=O)CCC[C@H](CC(N)=O)CC(=O)O	225450729	IZBWUVKNXOGJSA-UHIFRQJESA-N	525.639	2.625	0	40	KFAB	biogenic,in-vitro
CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2OC)C(C(=O)OCC)=C(C)N=3)cc1OC	408927488	PSBWAOBMDONJMU-ZDZYTSRMSA-N	596.658	2.766	0	40	KFAB	
COc1ccc(NC(C)=O)cc1S(=O)(=O)N(Cc1ccccc1)[C@@H]1CS(=O)(=O)C[C@H]1NCc1ccccc1	575425918	JBEOTTKQXHMHFT-JWQCQUIFSA-N	557.694	2.800	0	40	KFAB	
CCS(=O)(=O)c1ncc(Cl)c(C(=O)N(Cc2ccc(C(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)n1	8868627	QCIVWIVGLVNSFT-QGZVFWFLSA-N	500.042	2.877	0	40	KFAB	
COc1ccc(N2C(=O)c3ccc(C(=O)NC[C@@H](c4ccco4)N4CCOCC4)cc3C2=O)cc1OC	19795672	ISEFIIITSQZNIH-NRFANRHFSA-N	505.527	2.901	0	40	KFAB	
CCn1cc(C(=O)N2CCN(Cc3ccccc3)CC2)c(=O)c2cc(F)c(N3CCN(C(C)=O)CC3)cc21	20714075	LDYSVNRSVYTSIK-UHFFFAOYSA-N	519.621	2.787	0	40	KFAB	
CC[C@H](C(=O)Nc1cc(S(=O)(=O)NC(C)C)ccc1OC)N(c1ccc(F)cc1)S(C)(=O)=O	30852794	YOYITESTXVWKBP-LJQANCHMSA-N	501.602	2.704	0	40	KFAB	
COC(=O)[C@H]1[C@@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3c(C)nn(-c4ccccc4)c3C)c(=O)n12	103678449	ZGQVOMJTPLZNRP-LRRMDZLNSA-N	500.580	2.662	0	40	KFAB	
COc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@@H]3C[C@@H](O)CN3S(=O)(=O)c3ccc(C)cc3)ccc2C)cc1	108924721	CVOVVFDHILIZOV-QPPBQGQZSA-N	559.666	2.875	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C	223874023	IPGXMUDQLGKNKA-HXUWFJFHSA-N	506.644	2.999	0	40	KFAB	
CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	224680877	DXIHOJWXIFVDBX-IBGZPJMESA-N	505.637	2.722	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2	225199144	OYRVBDJBGCSDDZ-LJQANCHMSA-N	541.601	2.956	0	40	KFAB	
Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1S(=O)(=O)N1CCN(C)CC1	225554773	MJPIPRGQMAVXBG-IBGZPJMESA-N	555.122	2.624	0	40	KFAB	
COc1c2ccoc2nc2c(OC)c(O[C@@H]3O[C@H](C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)ccc12	252015055	VEPUODFCYPKQKH-LROSFHLBSA-N	517.487	2.917	0	40	KFAB	biogenic
COC(=O)c1cc(NC(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2Cl)cc(C(=O)OC)c1	408584787	VAZVQMNTFBNAIV-UHFFFAOYSA-N	512.968	2.865	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/[C@@H]3C(=O)N(c4ccccc4)N=C3C)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	409017810	HQCCRUJZXOBOHY-ZJHZTPNJSA-N	544.589	2.518	0	40	KFAB	
COc1cc(CN2CCN(C(C)=O)C[C@](O)(COc3ccc(C)cc3)C2)ccc1OCCn1cccn1	585274510	ZIGANNVLQQOKMM-NDEPHWFRSA-N	508.619	2.753	0	40	KFAB	
CN(Cc1ccccc1)C(=O)C[C@]1(COc2ccc(F)cc2)CN(C(=O)c2ccc(=O)n(C)c2)CCO1	585286125	NDDDHIQZZCPOMP-MUUNZHRXSA-N	507.562	2.863	0	40	KFAB	
COCCN(CC(=O)Nc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1	13496951	STKPZJWROFIVRG-IBGZPJMESA-N	509.650	2.526	0	40	KFAB	
CCN(CC)C(=O)CN1C(=O)[C@]2(N[C@@H](CCSC)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)c2ccccc21	29749025	PJFQYXJEWPMYMV-PXMCIRSJSA-N	534.682	2.623	0	40	KFAB	
COc1ccc(OCCCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1	32910753	GHJDXQIGINQCRV-UHFFFAOYSA-N	504.605	2.547	0	40	KFAB	
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@H](CC(C)C)C(=O)O	70701381	QHVMQTKFXOUXCO-VXNXHJTFSA-N	536.629	2.620	0	40	KFAB	biogenic
CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O	95585893	UVBUBMSSQKOIBE-NDFMDLIYSA-N	721.838	2.564	0	40	KFAB	biogenic,in-vitro
CCOCCn1/c(=N/C(=O)c2ccccc2I)sc2cc(S(N)(=O)=O)ccc21	100873658	GHXDYSSYGUNZAQ-UZYVYHOESA-N	531.397	2.732	0	40	KFAB	
O=C(c1c(O)c(Cl)cc(Cl)c1Cl)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1	102799075	MPMFUJSZERBAHZ-UHFFFAOYSA-N	535.837	2.731	0	40	KFAB	
Cc1c(NC(=O)CSc2ccccc2C(=O)O[C@H](C)C(=O)N2CCOCC2)c(=O)n(-c2ccccc2)n1C	103128266	LMQCRJFMEBBEBE-LJQANCHMSA-N	538.626	2.619	0	40	KFAB	
CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(OC)c1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	222486946	HTPLNAXPUKJJLL-GCJKJVERSA-N	515.632	2.952	0	40	KFAB	
CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccccc2)[C@@H](C(=O)NCCO)c2ccccc2)cc1	223306660	ZOONUPOIPPJJNW-HHHXNRCGSA-N	523.655	2.796	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225493780	NTKBXLCGRMFNMU-KRWDZBQOSA-N	568.490	2.930	0	40	KFAB	
O=c1sc2cc(S(=O)(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)ccc2n1Cc1ccccc1	225748450	PAJQPCYAPOUBAD-UHFFFAOYSA-N	529.665	2.807	0	40	KFAB	
COC(=O)[C@]1(CCSC)N[C@H](c2ccc(OC)cc2OC)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21	245230179	MVRMFYUVGCIKMK-QSGNWFJVSA-N	542.610	2.590	0	40	KFAB	
CN(C)CCOc1cccc(CN2CCO[C@@](COc3ccc(F)cc3)(CC(=O)N3CCN(C)CC3)C2)c1	257299984	RSKNICMYRGPCBV-LJAQVGFWSA-N	528.669	2.580	0	40	KFAB	
COC(=O)c1c(NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)sc2c1CCN(C)C2	408619423	MMEPMERWUYYVNG-UHFFFAOYSA-N	563.439	2.532	0	40	KFAB	
CC(C)COC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Br)cc3)C2)cc1	408657280	OVJZZYCAKIOOPF-SFHVURJKSA-N	560.401	2.937	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409035516	PWTTXODZGYHISR-IBYCJETLSA-N	566.632	2.757	0	40	KFAB	
O=C(CN1C(=O)S/C(=C/c2cc(Br)c(O)c(I)c2)C1=O)N1CCOCC1	409140738	SDVTYAVAPKPXKQ-KPKJPENVSA-N	553.172	2.654	0	40	KFAB	
CN1CCCCCCCCCCCOc2ccccc2C(=O)N[C@H](C(=O)N2CCS(=O)(=O)CC2)CC1=O	643578595	ZOSJLDLPVFDJDZ-QHCPKHFHSA-N	535.707	2.794	0	40	KFAB	
COc1ccc(-n2c(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)nnc2-c2ccccc2)cc1Cl	3450663	WYPRRECOYLYYBV-UHFFFAOYSA-N	512.979	2.551	0	40	KFAB	
Cc1ccc(NC(=O)CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)cc1S(=O)(=O)N1CCCCC1	8685540	YVGSZVMMDPEYPS-JOCHJYFZSA-N	523.615	2.753	0	40	KFAB	
COc1ccc(-c2nnc(SCC(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3OC)o2)cc1	13134621	INRGWEDLNDYAAE-UHFFFAOYSA-N	520.589	2.506	0	40	KFAB	
CCCCCn1cnc2cccc3nc4c(c1c23)Cn1c-4cc2c(c1=O)COC(=O)[C@@]2(CC)OC(=O)CN(C)C(=O)CN	14211051	CWJSAEZZZABNRI-HKBQPEDESA-N	586.649	2.588	0	40	KFAB	investigational
COc1ccc2cc([C@]3(C)NC(=O)N(CC(=O)N4CCN(S(=O)(=O)c5ccc(F)c(Cl)c5)CC4)C3=O)ccc2c1	102896366	GEIHOGLECRWRIB-MHZLTWQESA-N	589.045	2.941	0	40	KFAB	
CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OC)n2c(s/c(=C/c3ccc4c(c3)n(C)c(=O)n4C)c2=O)=N1	103904476	YTZFBYYMGGQCCW-ZMIGGIFCSA-N	546.649	2.778	0	40	KFAB	
C[C@H](C(=O)NC[C@@H]1CCCO1)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1	222890097	QUHPUKUXRYGOES-DVECYGJZSA-N	531.650	2.912	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	223531536	QJKHEQJBAKRVFB-HXUWFJFHSA-N	519.664	2.846	0	40	KFAB	
CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1OCC)S(C)(=O)=O	225019663	DOZMZSSQFLLCBX-IBGZPJMESA-N	505.637	2.803	0	40	KFAB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N2C[C@@H](C(=O)NCc3ccccc3)Oc3ccccc32)cc1C	226045068	JKUHRSJTAQQLSG-VWLOTQADSA-N	523.611	2.735	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	260953851	KGUVCDLTCYHWIB-MOPGFXCFSA-N	533.647	2.912	0	40	KFAB	
O=C(Cn1cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)c2ccccc21)NCc1cccs1	409133561	MGWNZIZSPAKQNZ-MTJSOVHGSA-N	524.624	2.914	0	40	KFAB	
COc1cccc(OCC(=O)N2CCO[C@@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCOCC3)C2)c1	585287408	VZAXPYCBFTXYAI-MHZLTWQESA-N	533.021	2.961	0	40	KFAB	
Cc1cn([C@@H]2C[C@H](O)[C@H](COC(c3ccccc3)(c3ccccc3)c3ccc(OCC(=O)O)cc3)O2)c(=O)[nH]c1=O	5493278	FHTNSNQDROOYJV-QKDODKLFSA-N	558.587	2.966	0	40	KFAB	
COCCNC(=O)[C@@H](c1ccc2ncccc2c1)N(CCc1cccc(C)c1)C(=O)c1snc(C(N)=O)c1N	6442180	HJCARVNKKAECHN-XMMPIXPASA-N	546.653	2.870	0	40	KFAB	
COc1ccccc1CCN[C@@H]1CC(=O)N(c2ccc(N3C(=O)C[C@@H](NCCc4ccccc4OC)C3=O)cc2)C1=O	8412307	HKGBEMSTAWJJSY-CLJLJLNGSA-N	570.646	2.632	0	40	KFAB	
COC(=O)c1ccccc1NC(=O)Cn1c(=O)n(CCC(=O)NC2CCN(Cc3ccccc3)CC2)c(=O)c2ccccc21	17434276	HSNZDRXJBZPSMP-UHFFFAOYSA-N	597.672	2.759	0	40	KFAB	
COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4ccccc4F)CC3)cc2c1	19940661	GPVMTYZBCZWGTM-NLFFAJNJSA-N	519.581	2.753	0	40	KFAB	
C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)CN([C@@H](CCC(N)=O)C(=O)O)C3=O	35270912	VGRPJNIVIGBNNK-ONPMWUKPSA-N	514.619	2.974	0	40	KFAB	biogenic,in-vitro
CCOc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cc(OC)cc(OC)c3)[nH]c2=O)cc1	46016452	DHEYVGYGAJOARZ-UHFFFAOYSA-N	505.574	2.749	0	40	KFAB	
Cn1c(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c(O)c1CN1CCN(Cc2ccccc2Cl)CC1	85876299	ONMHVCMZDDNGPD-GGAORHGYSA-N	550.103	2.843	0	40	KFAB	biogenic
Cc1cccc(N(CCN2C(=O)CSC2=O)[C@@H]2SC(=O)N(CCN3C(=O)c4ccccc4C3=O)C2=O)c1	101112371	CMJSNSFXRMUDMX-HSZRJFAPSA-N	538.607	2.815	0	40	KFAB	
NCCCC[C@@H](N[C@@H](CCc1ccccc1)C(=O)NCCCC[C@@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@@H]1C(=O)O)C(=O)N1CCC[C@@H]1C(=O)O	150338984	HLRMNXJOFRUYAM-KJBZJRFOSA-N	792.975	2.557	0	40	KFAB	in-vitro
CCOC(=O)C1=C[C@@H]2C=C[C@@H]([C@@H]1C(=O)OCC)[C@H]1C(C(=O)OCC)=C(C(=O)OCC)C(C(=O)OCC)=C(C(=O)OCC)[C@]21OCC	150706242	RXNVFICWEXYGQG-BHLRPDHOSA-N	646.686	2.722	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	223067526	UOYVOXRJFGDGKC-INIZCTEOSA-N	543.459	2.754	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O	224044479	RSTKUZNHBUEDKR-IBGZPJMESA-N	505.637	2.803	0	40	KFAB	
COc1ccccc1N(CC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)NC1CCCC1)S(C)(=O)=O	224093681	SFNFNWDFMNIECO-FQEVSTJZSA-N	501.649	2.980	0	40	KFAB	
COc1ccc(N(CC(=O)NCCCN2CCOCC2)S(=O)(=O)c2cc(C)ccc2OC)cc1Cl	408620781	MAOVGJPEIWVZJD-UHFFFAOYSA-N	526.055	2.699	0	40	KFAB	
COc1cc(OC)cc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3cc(C)c(Br)c(C)c3)CC2=O)c1	408658345	QZPZTDXODZSFRT-MRXNPFEDSA-N	548.390	2.758	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(N4CCOCC4)o3)c(=O)n2[C@H]1c1cccc(OC)c1	408864367	UUVBQTSQEHQUGW-FGGAIWKESA-N	588.480	2.999	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3/C(=O)N(CC)c4ccccc43)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	409140170	FLDKSHNJRTXKEB-SBXHHDGASA-N	547.633	2.942	0	40	KFAB	
CCOCCCN(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC1CCCC1)c1ccc(OC)cc1	6600070	SVCGUQOVFLNXKB-FQEVSTJZSA-N	503.625	2.502	0	40	KFAB	
CCCOc1c(OC)cccc1[C@H]1C(C(=O)OC)=C(C)N=c2s/c(=C/c3ccc4c(c3)OCO4)c(=O)n21	8452447	ARAROTWWAYNAHU-RQLGBQGVSA-N	522.579	2.934	0	40	KFAB	
O=C(OCc1nnc(-c2ccccc2)o1)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1	12877158	OGEIVTWPDJJAJI-UHFFFAOYSA-N	508.350	2.877	0	40	KFAB	
COC(=O)C1=C(C(=O)OC)[C@@H]2O[C@H]1C(COC(=O)NC1CCCCC1)=C2COC(=O)NC1CCCCC1	17109529	GEQBPOXOLBBJQT-SZPZYZBQSA-N	520.579	2.824	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1C	22268561	JQDVZFPMBOTVQL-JOCHJYFZSA-N	517.629	2.569	0	40	KFAB	
CCCCn1c(N)c(N(CCC(C)C)C(=O)CCNC(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)[nH]c1=O	36396603	ZWFVSWOQXJXZES-UHFFFAOYSA-N	516.687	2.956	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccc(C)c5)sc4n3)CC2)cc1	41077551	PHFVNPMIMANBKD-UHFFFAOYSA-N	511.629	2.642	0	40	KFAB	
COc1ccc(CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@H](C(=O)NC[C@@H]2CCCO2)c2cccs2)cc1	100377948	BWHNATNAZOTYGH-LVXARBLLSA-N	583.688	2.967	0	40	KFAB	
COc1ccc2cc([C@@]3(C)NC(=O)N(CC(=O)N4CCN(S(=O)(=O)c5ccccc5Cl)CC4)C3=O)ccc2c1	102896363	PMYVHYXMWKXOPX-HHHXNRCGSA-N	571.055	2.802	0	40	KFAB	
C[C@]12CCC(SCC(=O)O)(SCC(=O)O)C[C@@H]1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO	118924828	XCBVGXHHEMDZIG-FUCMOQCCSA-N	528.689	2.833	0	40	KFAB	
C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC[C@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCO5)c(C(F)(F)F)oc3c2)[C@@H](O)[C@@H](O)[C@@H]1O	150426244	XDLBSNLAIQNWON-NNHUCAMFSA-N	697.612	2.893	0	40	KFAB	
CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	223970481	YTDLUPREIITEHN-INIZCTEOSA-N	536.448	2.927	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O	223980444	XDYKHPCJYPVOND-INIZCTEOSA-N	526.453	2.777	0	40	KFAB	
CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	224153214	LPOMQDOGIGWMSM-OAQYLSRUSA-N	505.637	2.722	0	40	KFAB	
CC[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)N(c1ccccc1F)S(C)(=O)=O	224409994	NRGYPHOBIQRLMM-QFIPXVFZSA-N	541.667	2.740	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1	224453407	LNWIUQBSFFRGEC-UHFFFAOYSA-N	580.084	2.971	0	40	KFAB	
CN1CCN(C(=O)CC2(COc3ccc(Cl)cc3)CCN(C(=O)CCCn3cncn3)CC2)CC1	257216998	CXAZEORDAAUTQO-UHFFFAOYSA-N	503.047	2.564	0	40	KFAB	
COc1ccc(Cl)cc1N([C@H](C)C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)S(C)(=O)=O	260890873	UJSLYQROTCCAPM-GOSISDBHSA-N	574.121	2.873	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2ccccc2OC)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C)cc1	260926937	VSBYAIFRVOBYLN-LJQANCHMSA-N	505.637	2.659	0	40	KFAB	
CCOc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc(Br)cc2)C1	408654674	KVIYPLJIDVZVTD-HNNXBMFYSA-N	504.337	2.523	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OC)c(OCCn3cc(C)cn3)c2)C[C@@](O)(COc2ccc(C)cc2)C1	585273799	URFREFGQQAKJKX-PMERELPUSA-N	552.672	2.688	0	40	KFAB	
CN(C[C@H](O)CO)C(=O)c1ccc2c(c1)Cc1cccc(c1)CN(Cc1ccccn1)CCOCCO2	2037949485	IKGKGIMDUHDCTM-MHZLTWQESA-N	505.615	2.509	0	40	KFAB	
C[C@@H](NS(=O)(=O)c1cccc2nsnc12)C(=O)OCC(=O)Nc1nc(-c2ccccc2)cs1	3278383	QGFXQWIDGNGHMR-GFCCVEGCSA-N	503.587	2.664	0	40	KFAB	
COc1cc([C@H](C(=O)NC2CCCC2)N(Cc2ccccc2)C(=O)c2snc(C(N)=O)c2N)ccc1O	6906747	BFTHSPMYIUQBEU-JOCHJYFZSA-N	523.615	2.981	0	40	KFAB	
COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(Cc2ccco2)C(=O)CNC(=O)c2ccco2)cc1OC	12485577	HTDCNYSXNWOXKA-UQBPGWFLSA-N	525.558	2.685	0	40	KFAB	
COc1ccc(CNC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC	20005822	ZGPMYLDTODTUAK-NRFANRHFSA-N	514.600	2.927	0	40	KFAB	
COc1ccc(C2=NN(C3=NC(=O)[C@H](CC(=O)N[C@H](C)C(=O)O)S3)[C@H](c3ccc(OC)cc3)C2)cc1	35072790	WEYOLFCKSUGEQQ-OREJSRFESA-N	510.572	2.832	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C	59838115	ALYJAMXMRYBUMZ-UHFFFAOYSA-N	537.704	2.895	0	40	KFAB	
COC(=O)[C@@H]1CN(C(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2C)c2ccccc2O1	222766831	ABOXFKBHILPIEQ-QHCPKHFHSA-N	502.589	2.952	0	40	KFAB	
CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223412517	JPRHSZRBKMABCF-JOCHJYFZSA-N	533.647	2.566	0	40	KFAB	
COC(=O)[C@@H]1CN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)c2ccccc2O1	226009265	VTUFZJOAIGDIFD-DEOSSOPVSA-N	510.568	2.853	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CC(=O)NCCSc2nc(C)n[nH]2)Cc2ccccc2)cc1Cl	226051080	QWYZOBDHBUDMPE-UHFFFAOYSA-N	510.041	2.875	0	40	KFAB	
CCOC(=O)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	253497153	NSYZCCDSJNWWJL-HEESAXMSSA-N	862.064	2.680	0	40	KFAB	in-vitro
CC(C)CS(=O)(=O)N1CC(C)(C)CC2(CCN(CC(=O)Nc3ccc4c(c3)n(C)c(=O)n4C)CC2)C1	257252086	JTMUOJXFYIUFCG-UHFFFAOYSA-N	519.712	2.615	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	260964179	LOQIDMVWMBWQQU-MOPGFXCFSA-N	503.621	2.556	0	40	KFAB	
NS(=O)(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2Cl)cc1	408561341	HZKSOEYOXNPXEE-UHFFFAOYSA-N	513.956	2.945	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc2c(c1)OCCO2	408703258	POVNXRRCBBZNMT-UHFFFAOYSA-N	537.660	2.817	0	40	KFAB	
CC[C@]1(C)[C@H](O)CC[C@@]2(C)[C@@H]3C[C@@H](O)[C@@H]4[C@H](/C(C)=C\CC=C(C)C)CC[C@@]4(C)[C@@H]3C[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@@H]12	2060999658	YCTQSBSHNMQDKH-QEMLVCCKSA-N	767.010	2.953	0	40	KFAB	
COC(=O)C1=C(N)n2c(s/c(=C\c3c(F)cccc3Cl)c2=O)=C(C(=O)OC)[C@@H]1c1c(F)cccc1Cl	1896994	KCFYMYKXPRWYRB-BAPRJRNISA-N	553.370	2.745	0	40	KFAB	
COc1ccc(C[C@@]2(CN3C[C@H]4C[C@H](C3)c3cccc(=O)n3C4)C(=O)NC(=O)N(C3CCCCC3)C2=O)cc1	2119102	CJAGOLUMLQZUOM-NPKFRGRUSA-N	532.641	2.916	0	40	KFAB	
COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2OC)cc1	7059797	KHMMBGKDIHPPEQ-HTAPYJJXSA-N	539.614	2.525	0	40	KFAB	
CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)C[C@@H]3CCCO3)cc2)sc2c1CCN(C)C2	9599586	LGGIOXXJQCGZPY-KRWDZBQOSA-N	521.661	2.965	0	40	KFAB	
Cc1noc(C)c1S(=O)(=O)N1CCCN(CCc2nc(N)c3c4c(sc3n2)C[C@H](C)CC4)CC1	12693251	LOSYNWVWMRBRBU-CQSZACIVSA-N	504.682	2.942	0	40	KFAB	
CCc1ccccc1NC(=O)CNC(=O)CS[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O	14183371	JXUPNJFPGSABBU-GOSISDBHSA-N	509.632	2.862	0	40	KFAB	
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4nnc(CC)s4)cc3)cc2)CC1	59522804	MOFUTXUDPQVYCQ-UHFFFAOYSA-N	608.724	2.616	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1	60028230	LCMZBXGEEFLLKU-OAQYLSRUSA-N	544.051	2.689	0	40	KFAB	
O=C(CC[C@H]1N=C2c3ccccc3NC(=S)N2C1=O)NCCN1CCN(c2cccc(Cl)c2)CC1	63708009	CNQAWZOFBWETCU-OAQYLSRUSA-N	511.051	2.726	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@@H](NC(=S)Oc2cccc(Oc3ccccc3)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	101572917	NSLNXOJKPCPSDD-WBAQKLHDSA-N	575.592	2.815	0	40	KFAB	
O=C(C1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1)N1CCN(C(=O)[C@@H]2CCCO2)CC1	103044317	IYOFGFDGJFQQGD-SFHVURJKSA-N	537.988	2.609	0	40	KFAB	
O=C(CN1C(=O)S/C(=C/c2cc(Br)c(O)c(Br)c2)C1=O)N1CCOCC1	214303356	NMLMPIDOOFAPMQ-KPKJPENVSA-N	506.172	2.812	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)[C@@H](C)C(=O)NC(C)(C)C)c1	223044528	QOKNWRWCBSIIAI-IBGZPJMESA-N	504.653	2.640	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2	225199189	OYRVBDJBGCSDDZ-IBGZPJMESA-N	541.601	2.956	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(NC(C)=O)cc3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409039954	RSRLUHJTUVPGBC-CJIXEESDSA-N	593.658	2.707	0	40	KFAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(O)c3)c(=O)n2[C@@H]1c1ccccc1OC	409095614	IJOPSAFOCQPNMO-WLGHQHAYSA-N	507.612	2.826	0	40	KFAB	
CCCNC(=O)c1ccccc1NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	409258204	RXODPPUCJGTOCT-VWLOTQADSA-N	570.693	2.529	0	40	KFAB	
COc1cccc(-c2ccc3c(c2)OCCC2(CCN(Cc4nccs4)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2S3(=O)=O)c1	1548889096	GKQVLCPJDBQOIR-VWNXMTODSA-N	598.747	2.876	0	40	KFAB	
O=S(=O)(c1ccc(Br)cc1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1	703672	DDRUIQJRPPUKBI-UHFFFAOYSA-N	524.256	2.907	0	40	KFAB	in-vitro
O=C1c2cc(S(=O)(=O)n3nnc4ccccc43)ccc2-c2ccc(S(=O)(=O)n3nnc4ccccc43)cc21	2690060	FPPLJCLMVZIKPA-UHFFFAOYSA-N	542.558	2.861	0	40	KFAB	
COCCNC(=O)[C@@H](c1ccc2ncccc2c1)N(CCc1ccccc1)C(=O)c1snc(C(N)=O)c1N	6136193	PMEGYSVGLYADHA-HSZRJFAPSA-N	532.626	2.561	0	40	KFAB	
COc1ccc(-c2noc(Cn3c(=O)c4ccccc4n(CC(=O)Nc4cccc(OC)c4)c3=O)n2)cc1	8593772	JWLGWJFYVNREKT-UHFFFAOYSA-N	513.510	2.917	0	40	KFAB	aggregator
Cc1c(NS(=O)(=O)c2cccc(NC(=O)CCNCc3ccco3)c2)c(=O)n(-c2ccccc2)n1C	12625575	LVRHSNHZRQJSIO-UHFFFAOYSA-N	509.588	2.997	0	40	KFAB	
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3nc(O)c4nnn(Cc5ccc(C)cc5)c4n3)CC2)cc1	13083122	UUZCAUMBSQOZID-UHFFFAOYSA-N	521.603	2.810	0	40	KFAB	
COc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)NCCN4CCOCC4)cc3c2)cc1OC	28209012	INFAMGVHZUYQIR-UHFFFAOYSA-N	519.645	2.806	0	40	KFAB	
CC(=O)N1CCN(c2cc(-c3noc([C@@H]4CCCN4Cc4ccc(S(C)(=O)=O)cc4)n3)ccn2)CC1	49155060	DYNMLXOSJFMMMC-QFIPXVFZSA-N	510.620	2.541	0	40	KFAB	biogenic,in-vitro
COCCn1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N(Cc1cccnc1)Cc1ccco1	57531068	IBFKRDUUKHGMIK-XMMPIXPASA-N	515.530	2.670	0	40	KFAB	
COc1cccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(Cc2ccc3c(c2)OCO3)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1	100341439	KYHRLSZYMCSAIY-IADCTJSHSA-N	621.668	2.634	0	40	KFAB	
COC(=O)[C@@H]1CN(C(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2Cl)c2ccccc2O1	222825120	GLDSOPPLVQIJTR-NRFANRHFSA-N	508.980	2.861	0	40	KFAB	
COCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O	223010054	AWDGCBXXQMDDAM-HHHXNRCGSA-N	537.682	2.851	0	40	KFAB	
Cc1cc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)ccc1Br	224296962	GQDZJERGFWRAES-UHFFFAOYSA-N	574.519	2.503	0	40	KFAB	
COc1ccc(S(=O)(=O)NCc2cccc(CN3CCOCC3)c2)cc1I	224724213	LWZKRSYFDIDGLB-UHFFFAOYSA-N	502.374	2.611	0	40	KFAB	
CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OC)c2)n2c(s/c(=C/c3ccc4c(c3)n(C)c(=O)n4C)c2=O)=N1	408863885	ROOUTQUACRCVBN-XSZPGNIMSA-N	546.649	2.778	0	40	KFAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)OCCO4)c(=O)n2[C@H]1c1cc(OC)ccc1OC	409105274	LZOUMROGFVDWGV-GVMLUORFSA-N	549.649	2.892	0	40	KFAB	
O=S1(=O)C[C@@H]2[C@H](C1)N(Cc1ccccc1Cl)[C@H]1CS(=O)(=O)C[C@@H]1N2Cc1ccccc1Cl	575422806	WNPBCUJBFLHKAV-MYGLTJDJSA-N	515.484	2.642	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OCCCn3ccnc3C)cc2)C[C@@](O)(COc2ccccc2)C1	585272216	HBWLGDVZPNOERK-LJAQVGFWSA-N	522.646	2.761	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC(C)=O)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1	625796	SNXDCLCESYASEZ-YMSBRDKKSA-N	520.563	2.649	0	40	KFAB	
C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)cc2)C[C@H](C)O1	6088806	PKWFKENMIFCALF-HOTGVXAUSA-N	536.657	2.994	0	40	KFAB	
CC(C)C[C@H](NC(=O)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(C)C)C(N)=O	6190431	UKOYGZDVMPSONY-BHIFYINESA-N	520.671	2.644	0	40	KFAB	
CCOC(=O)CN(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)[C@@H](C(=O)NC(C)(C)C)c1ccc(C)cc1	6546274	RGJSTTPLNOACSM-HSZRJFAPSA-N	510.570	2.835	0	40	KFAB	
Cc1ccccc1CCN(C(=O)CN1C(=O)c2ccccc2S1(=O)=O)[C@H](C(=O)NC[C@H]1CCCO1)c1ccncc1	8686879	JIVNFXQYTYXBKT-YWEHKCAJSA-N	576.675	2.642	0	40	KFAB	
CC[C@@H](C)N(C(=O)COC(=O)CNC(=O)c1sc2ccccc2c1Cl)[C@H]1CCS(=O)(=O)C1	14672565	DVZXKZPJQZRKMB-KGLIPLIRSA-N	501.026	2.642	0	40	KFAB	
COC(=O)[C@@]1(Cc2ccc(O)cc2)N[C@@H](c2cccs2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21	20150762	SWAGACNLJXQZTJ-FAWUNYRSSA-N	520.563	2.830	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(CC(=O)OCC(=O)c2ccccc2)CC(=O)OCC(=O)c2ccccc2)cc1	22079132	HFPOSPDVXGCNHM-UHFFFAOYSA-N	523.563	2.838	0	40	KFAB	
COc1ccccc1N1CCN(C(=O)Cn2c(=O)n(CCc3cccs3)c(=O)c3sccc32)CC1	67218666	ARIYFWVEVDVWSD-UHFFFAOYSA-N	510.641	2.886	0	40	KFAB	
CN1[C@@H](CCC(=O)N2CCN(c3ccccc3)CC2)CNC(=O)[C@@H]2[C@H]1CCN2Cc1cccc(Cl)c1	96536588	TYZXXWFTJBPJLE-WEWMWRJBSA-N	510.082	2.842	0	40	KFAB	biogenic,in-vitro
COc1ccc(CCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccco2)cc1OC	100377874	LODKCWULFCVWQQ-KMRXNPHXSA-N	611.673	2.549	0	40	KFAB	
NS(=O)(=O)c1ccc(NC(=O)[C@H]2Sc3[nH]c(=O)sc3[C@@H]3c4cc(Br)ccc4OC(=O)[C@H]23)cc1	100912552	GVXFLXRNUUZJOC-ILXRZTDVSA-N	568.452	2.626	0	40	KFAB	
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CCCN(c3ccc4c(c3)OCO4)S(C)(=O)=O)cc2)n1	215939495	QIHDOYWMZXUVQC-UHFFFAOYSA-N	561.642	2.808	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223543445	IACUGWJRGSOTDP-LJQANCHMSA-N	503.621	2.557	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O	223957551	VGKLXMPCDSLUTI-UHFFFAOYSA-N	516.041	2.533	0	40	KFAB	
CCc1nccn1CCOc1ccc(CN2CCN(C(=O)COC)C[C@@](O)(COc3ccc(F)c(F)c3)C2)cc1OC	585274828	OXMGMAXUXAFGGY-SSEXGKCCSA-N	588.652	2.912	0	40	KFAB	
CCCCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCOc2ccccc2)CC(=O)N[C@@H](CC(C)C)C1=O	643913460	YWFYCTLUHFUYRN-UIOOFZCWSA-N	566.699	2.922	0	40	KFAB	
COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccccc2)cc1	636448	VUKQEGPDEHEOBJ-UHFFFAOYSA-N	545.639	2.550	0	40	KFAB	
C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)cc2)C[C@@H](C)O1	3167692	LDGPFPLMTLEAFH-ZIAGYGMSSA-N	509.631	2.750	0	40	KFAB	
CCOC(=O)/C=c1\s/c(=C\c2ccc(-c3ccccc3)cc2)c(=O)n1CC(=O)NCc1ccc2c(c1)OCO2	3411637	ZKQDGCIAUMCNPB-WTNJSQHKSA-N	542.613	2.794	0	40	KFAB	
CCOCCCN(C(=O)Cn1nnc(-c2ccc(OC)cc2)n1)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccc(F)cc1	6600133	HJGONAHAGVEMGQ-AZGAKELHSA-N	554.623	2.780	0	40	KFAB	
COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2)cc1	7059821	NIYTVQLOSKGHQT-WIYYLYMNSA-N	509.588	2.516	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN(c3cc(Cl)cc(Cl)c3)S(C)(=O)=O)CC2)cc1	10288033	LALNLNNBYPOQSY-UHFFFAOYSA-N	520.460	2.601	0	40	KFAB	
COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N([C@@H](C)C(=O)NCCc2ccc(OC)c(OC)c2)C(=O)[C@]31C	12872288	AQALIPJQSSFUAL-OLRZCDJHSA-N	520.586	2.977	0	40	KFAB	biogenic
COc1cc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(CCCN4CCOCC4)CC(=O)N23)cc(OC)c1OC	70680606	HUIUCGDPSHQXLF-LXFBAYGMSA-N	548.640	2.601	0	40	KFAB	biogenic
COc1ccccc1CCN[C@H]1CC(=O)N(c2ccc(N3C(=O)C[C@H](NCCc4ccccc4OC)C3=O)cc2)C1=O	98044507	HKGBEMSTAWJJSY-UIOOFZCWSA-N	570.646	2.632	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CN(S(=O)(=O)c4ccc(C)cc4)c4ccccc4O3)CC2)cc1	113633629	RJQNIQOPKNVMTC-SANMLTNESA-N	555.678	2.793	0	40	KFAB	
CC(=O)OC[C@H]1O[C@H](Oc2ccc3c(=O)c(-c4nc(C)cs4)coc3c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	170621391	LODGFUDXZVUDFR-HOJFNWINSA-N	589.575	2.687	0	40	KFAB	
CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223008519	KJWRCLVLYHHISB-QFIPXVFZSA-N	517.648	2.866	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	223541363	SXWLTIWLUJBBIR-LJQANCHMSA-N	503.621	2.557	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O	223980246	RZQOJGJHMLKORP-MRXNPFEDSA-N	526.453	2.777	0	40	KFAB	
CN1CCN(C(=O)C[C@]2(COc3ccc(Cl)cc3)CN(Cc3ccc(C(=O)O)cc3)CCO2)CC1	257290356	QCQGEUUHYDRMLQ-AREMUKBSSA-N	502.011	2.852	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	261016105	VHAFBGREODAUFA-OALUTQOASA-N	535.663	2.810	0	40	KFAB	
CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(I)c1OCC(=O)OC	409215628	CNVZAEAXMOEOCM-RQZCQDPDSA-N	597.337	2.912	0	40	KFAB	
O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4cc(C5CCCC5)ccc41)CC[C@@H]3O)N(C1CCC1)C2	514287635	SCKYZYVQNRCKLL-QIJYUAQKSA-N	511.663	2.877	0	40	KFAB	
C[C@@]1(N(CCNS(=O)(=O)c2ccc(Br)cc2)S(=O)(=O)c2ccc(Br)cc2)CCS(=O)(=O)C1	575425409	YXSSTGKWGXNKGW-LJQANCHMSA-N	630.402	2.758	0	40	KFAB	
Cc1cc(OC[C@@]2(CC(=O)N3CCN(C)CC3)CN(C(=O)CC[C@H]3CCCO3)CCO2)ccc1Cl	585285643	LWACPBCSCOORBW-QFQXNSOFSA-N	508.059	2.748	0	40	KFAB	
COCC(=O)N1C[C@H](CC(C)C)N(C(=O)CSc2nnc(-c3ccccn3)n2-c2cccc(OC)c2)CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)C1	643913427	WZIZHEWFOSQDHQ-GJXUMDQFSA-N	714.886	2.696	0	40	KFAB	
CCOc1cc(C(=S)N2C[C@H](C)O[C@@H](C)C2)cc(I)c1OCC(=O)N1CCOCC1	1105249	KOKUVJCXMMXQAC-GJZGRUSLSA-N	548.443	2.712	0	40	KFAB	
CCc1ccc(OCc2nnc(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)n2[C@H](C)c2ccccc2)cc1	3360917	FVVQRFCTKKYIDU-QGZVFWFLSA-N	534.642	2.983	0	40	KFAB	
CCCC(=O)OC[C@H]1O[C@@H](n2cnc3c(=S)nc(N)[nH]c32)[C@@H](OC(=O)CCC)[C@H]1OC(=O)CCC	4887537	PBICKNLZVRHBCU-PKCKUPPXSA-N	509.585	2.736	0	40	KFAB	
CC(C)CCNC(=O)[C@@H](c1ccco1)N(Cc1ccc2c(c1)OCO2)C(=O)c1snc(C(N)=O)c1N	6134266	MFVGJSWEBZCWGA-HXUWFJFHSA-N	513.576	2.692	0	40	KFAB	
COc1ccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(c3c(Cc4ccccc4)c(C)nc4ncnn34)CC2)cc1OC	8690196	IBCHTWWTIMJOBA-AREMUKBSSA-N	571.682	2.873	0	40	KFAB	
CCCOc1ccc(N2C(=O)C[C@H](N(CCc3ccc(OC)c(OC)c3)C(=O)/C=C/C(=O)O)C2=O)cc1	19848440	SMPCFKZJDAKNLW-VIOKTNGOSA-N	510.543	2.837	0	40	KFAB	
O=C(COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1	59851883	GEWVDJGCGUUCAH-UHFFFAOYSA-N	585.704	2.544	0	40	KFAB	
O=C(CN1N=C(c2nc(-c3ccc4c(c3)OCO4)no2)CCC1=O)N1CCN(c2ccc(Cl)cc2)CC1	72329745	JOCDSDIHBJFRGW-UHFFFAOYSA-N	522.949	2.794	0	40	KFAB	
CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O	222867333	JBOINLROKQTOJO-HSZRJFAPSA-N	505.637	2.802	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O	223012949	HKRUQYSZTPBAIZ-INIZCTEOSA-N	538.464	2.971	0	40	KFAB	
C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	223748115	NUKCFUOFVOQUOB-IBGZPJMESA-N	504.628	2.915	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C)c1	224434049	CTMZIJUZIJRPLL-FQEVSTJZSA-N	519.664	2.968	0	40	KFAB	
COc1cccc(CN(C(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)C)c1	225664264	YRLJLNZDICKJSR-FQEVSTJZSA-N	547.674	2.955	0	40	KFAB	
COc1ccc(C2=NN(C3=NC(=O)[C@H](CC(=O)N[C@H](C)C(=O)O)S3)[C@@H](c3ccc(OC)cc3)C2)cc1	226588155	WEYOLFCKSUGEQQ-IFZYUDKTSA-N	510.572	2.832	0	40	KFAB	
COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1C(=O)N1CCOCC1	408693357	PUXMYXVEHDSZQP-UHFFFAOYSA-N	501.605	2.985	0	40	KFAB	
CCOC(=O)COc1cc(Br)c(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc1OC	409249310	NEFLPEFMHZZWOY-RQZCQDPDSA-N	562.373	2.940	0	40	KFAB	
O=C(C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1)O[C@@H]1C[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@H]1O	504010044	LPTYJDZEBFATMR-HQWYSGJXSA-N	595.620	2.533	0	40	KFAB	
CN(CCCC[C@H]1C(=O)N(C)CCCCc2ccccc2OCC(=O)N1C)C(=O)CN1CCCCCC1=O	643559722	GASWIDVNIOFZHT-DEOSSOPVSA-N	528.694	2.718	0	40	KFAB	
CCOC(=O)CNC(=O)[C@H](c1c[nH]c2ccccc12)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1F	6546925	JITZWFUNGDYFJH-NRFANRHFSA-N	538.561	2.512	0	40	KFAB	
CCOc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C[C@@H]2CCCO2)C(=O)Cn2nnc3ccccc32)cc1	12480138	RGEUHPYCZFZXLD-VMODYCNZSA-N	521.618	2.874	0	40	KFAB	
NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)cc1	13137298	SFBSYUDGYBJMGE-UHFFFAOYSA-N	500.042	2.525	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccs5)sc4n3)CC2)cc1	41077423	NTNRLWFOUBQRHJ-UHFFFAOYSA-N	517.658	2.785	0	40	KFAB	
CCOC(=O)c1cccc(NC(=O)c2cn(C)nc2S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)c1	67338150	WWWAMTPXZJIHPO-UHFFFAOYSA-N	525.631	2.977	0	40	KFAB	
Cc1ccccc1CCN(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccc(F)cc1	100284344	AGYIEYRHGLMCQU-NFBKMPQASA-N	539.633	2.993	0	40	KFAB	
COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CCN(C(C)C)C3)cc1	100817771	JUZGFGVDKJQYAT-UHFFFAOYSA-N	553.703	2.837	0	40	KFAB	
CCOC(=O)c1ccc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C[C@H]([C@H]5Sc6[nH]c(=O)sc6C(C)(C)[C@H]45)[C@@H]3C2=O)cc1	101273404	CPTVKKABNVQKSK-PVRJCICLSA-N	541.651	2.871	0	40	KFAB	
O=C(/C=C/c1ccc2c(c1)OCO2)N[C@@H](Cc1ccccc1)C(=O)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2	104642159	OFRNWTDWTVXBMH-DLDLXVFTSA-N	511.578	2.964	0	40	KFAB	
CS(=O)(=O)N(CC(=O)NCc1ccccc1CN1CCCC1)c1ccc(I)cc1	224769017	TXGLEXXEHNFWDW-UHFFFAOYSA-N	527.428	2.969	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	224798864	MVVJSFOQVUETOP-QGZVFWFLSA-N	524.039	2.821	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C	225563158	CFNJYRSSNAQLKF-AREMUKBSSA-N	522.671	2.994	0	40	KFAB	
CN1CCN(C(=O)C[C@H]2CN(C(=O)CN3CCCCCC3=O)CC[C@@H]2Oc2cccc(Br)c2)CC1	257345005	ZZOCFJAOPXHOGN-REWPJTCUSA-N	549.510	2.612	0	40	KFAB	
COc1ccc(OC)c(N(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c1	260934118	XVZUFVLOHNFUNF-HXUWFJFHSA-N	519.664	2.968	0	40	KFAB	
C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O	408704952	WCEWQPIFGRVSCU-GOSISDBHSA-N	537.660	2.816	0	40	KFAB	
CCN1CCC[C@H]1CNC(=O)[C@@H]1CCC(=O)NC2(CCCCC2)C(=O)N[C@H](C(C)C)COc2ccccc2C(=O)N1	643571522	DLILYXGMPZTLNN-HVCNVCAESA-N	569.747	2.518	0	40	KFAB	
C[C@@H]1O[C@H](O[C@@H]2CCCC3=CC[C@@H]4[C@H](CC[C@@]5(C)[C@H]6[C@@H](C[C@H]45)O[C@@]4(CC[C@@H](C)CO4)[C@@H]6C)[C@@]32C)[C@@H](O)[C@@](O)(O[C@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O	2060997165	YSAIEUUBBXPLJH-MLAQPFNGSA-N	722.913	2.738	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Br)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	6227318	FAWHPJJGXZYBIM-SCFJZMLDSA-N	517.357	2.883	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1	15318720	XCTLFBCRTJJAIN-KRWDZBQOSA-N	515.588	2.633	0	40	KFAB	
COc1ccc(C[C@H](NC(C)=O)C(=O)NC2CCN(c3c(Cc4ccccc4)c(C)nc4ncnn34)CC2)c(OC)c1	17433894	XRRYOZOJNNERSV-MHZLTWQESA-N	571.682	2.873	0	40	KFAB	
CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc(Br)c1	19856072	RVWJOMPQMKSLBH-UHFFFAOYSA-N	516.439	2.638	0	40	KFAB	
Cc1ccc(NC(=O)Cn2nc3n(CC(C)C)c(=O)c4ccc(C(=O)NC(C)C)cc4n3c2=O)cc1F	64581196	OXHOLSUZRJMGPM-UHFFFAOYSA-N	508.554	2.691	0	40	KFAB	
COc1ccc(CCNC(=O)CCn2c(SCC(=O)Nc3cc(C)[nH]n3)nc3cc4c(cc3c2=O)OCO4)cc1OC	102755442	IBTRZODZQCIPJT-UHFFFAOYSA-N	594.650	2.654	0	40	KFAB	
Cc1ccc(-c2nnc(-c3ccc(C(=O)N4CCN(S(=O)(=O)c5ccc(S(N)(=O)=O)cc5)CC4)cc3)o2)cc1	102873934	ZEVRTBXRXOVMKX-UHFFFAOYSA-N	567.649	2.506	0	40	KFAB	
COc1ccc(/C=C2/SC(=O)N(CCNC(=O)CCNS(=O)(=O)c3ccc(C)cc3)C2=O)cc1OC	103025489	RJCNKYVZTODRCV-RCCKNPSSSA-N	533.628	2.533	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O	223986312	CJILFEKBMRFROY-INIZCTEOSA-N	573.453	2.619	0	40	KFAB	
CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	225732119	ADIFPOVXVMOKNL-NRFANRHFSA-N	503.621	2.822	0	40	KFAB	
Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccc3c(c2)C[C@H](C)N3S(=O)(=O)c2ccccc2)cc1	225849568	QXMRBHVWWJHEFK-IBGZPJMESA-N	513.641	2.843	0	40	KFAB	
CCOC(=O)c1ccc(NC(=O)COc2ccc(/C=c3\sc4nc(-c5ccncc5)nn4c3=O)cc2)cc1	256055708	QESCRCLEKZQMCU-JCMHNJIXSA-N	527.562	2.955	0	40	KFAB	
COc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3cccc(CN4CCOCC4)c3)Oc3ccccc32)cc1	260902848	WZFSLNAHVCULSW-HHHXNRCGSA-N	537.638	2.800	0	40	KFAB	
Cc1cc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NCCCN4CCOCC4)CC3=O)cc2)ccc1Br	408580112	QBQCOAQBHMVDQL-FQEVSTJZSA-N	573.488	2.966	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCC(=O)O)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1	408837480	GKFPKIKBMPJGEN-LPRAYXGFSA-N	512.971	2.915	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCC(=O)O)c3)c(=O)n2[C@@H]1c1ccc(SC)cc1	408840978	HVTJXETZJZSOEJ-JPFXZVHCSA-N	524.620	2.984	0	40	KFAB	
CCOC(=O)COc1c(I)cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1I	409137370	WCNXNQLFQWDDQF-OQLLNIDSSA-N	686.262	2.733	0	40	KFAB	
CCCCN1CCOc2ccccc2CCCC[C@]2(CN(C(=O)CN3CCN(CC)CC3)CCO2)C1=O	643557444	VYCBRSHPFCDWLJ-LJAQVGFWSA-N	514.711	2.656	0	40	KFAB	
COc1ccc([C@H](C(=O)NC(C)(C)C)N(Cc2ccco2)C(=O)c2snc(C(N)=O)c2N)cc1OC	6074427	JXVJSPNUKOLYST-LJQANCHMSA-N	515.592	2.733	0	40	KFAB	
CCOC(=O)CNC(=O)[C@@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(C)cc(C)c1	6546654	SVIQZUUJENMNBK-OAQYLSRUSA-N	527.578	2.648	0	40	KFAB	
CC(C)(C)n1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(Cc2ccccc2)CC1	19360906	WLTGNCWNAMIYLU-DEOSSOPVSA-N	501.591	2.906	0	40	KFAB	
COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4ccccc4)CC3)cc2c1	19940657	GMYAKHDNHCYAPM-RDGATRHJSA-N	501.591	2.614	0	40	KFAB	
O=S(=O)(c1ccc(Br)cc1)N1CCN(C[C@@H](O)COCc2ccccc2Cl)CC1	25480649	CNVPQEJVHLJYLT-GOSISDBHSA-N	503.846	2.987	0	40	KFAB	
CO[C@]1(C)O[C@H](CNc2ccc(S(C)(=O)=O)cc2)[C@@H](CNc2ccc(S(C)(=O)=O)cc2)O[C@@]1(C)OC	68603732	GLHCQPXKTMZWJI-MOUTVQLLSA-N	542.676	2.527	0	40	KFAB	
O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	108888663	MJAQMAXLJMBHDC-UHFFFAOYSA-N	533.603	2.681	0	40	KFAB	
CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O	150659230	UVBUBMSSQKOIBE-AAPZDGJMSA-N	721.838	2.564	0	40	KFAB	biogenic,in-vitro
COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O	216243898	KKRFLODSLWFGFT-UHFFFAOYSA-N	548.481	2.858	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	222668121	APIJYFHTRHEXJU-AWEZNQCLSA-N	519.426	2.909	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	224681062	SQDUGIPAMOBYEC-LJQANCHMSA-N	505.637	2.722	0	40	KFAB	
C[C@H](OC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1)C(=O)N[C@H]1CCCC[C@H]1C	245228410	VWTOETCPMQEPDG-VKJFTORMSA-N	517.442	2.710	0	40	KFAB	
CC(C)C[C@H](NC(=O)[C@H](NC(=O)[C@H](CCCNC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(N)=O	245380250	USXRRKPOSGWVFO-RJGXRXQPSA-N	577.723	2.743	0	40	KFAB	
CCNC(=O)c1ccc(OC)c(S(=O)(=O)N2C[C@H](C(=O)NCCc3ccccc3)Oc3ccccc32)c1	260743044	NOBYYXDVNKBKGY-XMMPIXPASA-N	523.611	2.760	0	40	KFAB	
COC(=O)c1cc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)c(C)c3)C2)cc(C(=O)OC)c1	408584944	WZJMVNYYEPCMIO-INIZCTEOSA-N	504.561	2.616	0	40	KFAB	
O=S1(=O)C[C@H](O)[C@@H](N(Cc2ccccc2)S(=O)(=O)c2cc(Br)ccc2Br)C1	575425305	XVFJHCSAPNADLG-HOTGVXAUSA-N	539.267	2.560	0	40	KFAB	
Cc1c(NC(=O)COC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)c(=O)n(-c2ccccc2)n1C	3237730	BKCGRVLJHYWJAW-UHFFFAOYSA-N	531.546	2.657	0	40	KFAB	
CCn1c(SCC(=O)Nc2ccc(N(C)C)cc2)nnc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1	6122528	HFPPYQGNKOULDZ-UHFFFAOYSA-N	543.719	2.698	0	40	KFAB	
CCC(C)(C)n1nnnc1[C@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)N1CCN(C(=O)c2ccco2)CC1	6149389	WXAWCPNLNLCUJS-QHCPKHFHSA-N	535.605	2.817	0	40	KFAB	
CCOCCCN(C(=O)Cn1nnc(-c2ccc(C)o2)n1)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccc(F)cc1	6600059	SENVQAZNIJMONJ-URXFXBBRSA-N	528.585	2.672	0	40	KFAB	
CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2sc(C(=O)N(C)C)c(C)c2C(=O)OCC)c1C	12915932	RBXOYSGRGFUCNK-UHFFFAOYSA-N	507.565	2.852	0	40	KFAB	
CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4ccc(O)cc4)CC3)cc2c1	20080494	JZZJEMQSFYFYDG-JYFHCDHNSA-N	531.617	2.710	0	40	KFAB	
COc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)S(C)(=O)=O)cc1Cl	140109968	HGYJAKBEEMUBDS-CQSZACIVSA-N	540.023	2.733	0	40	KFAB	
Cc1noc(CCCn2c(=O)c3cc4c(cc3n(CC(=O)Nc3ccccc3C(F)(F)F)c2=O)OCO4)n1	200199521	VZPXUWUKBSDYHP-UHFFFAOYSA-N	531.447	2.874	0	40	KFAB	
CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc(I)c1OC	214661412	MJBPGQAKQILOQS-XNTDXEJSSA-N	532.356	2.594	0	40	KFAB	
CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O	223454488	NRRAWEHUCCQXKU-HSZRJFAPSA-N	505.637	2.803	0	40	KFAB	
CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	223971022	HYNATNNMBOKJCN-QFIPXVFZSA-N	533.647	2.914	0	40	KFAB	
CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O	224307679	JDMUBNQGQRTVEK-GOSISDBHSA-N	503.596	2.940	0	40	KFAB	
CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C	224897601	DQBGTFYQQNMTKB-XMMPIXPASA-N	518.680	2.888	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O	225479078	XQRGBCFJNQMKDE-KRWDZBQOSA-N	510.454	2.995	0	40	KFAB	
COc1c2c(c(C)c3c1C(=O)OC3)O[C@]1(C)C[C@H](O)[C@@]34O[C@@](OC)(C[C@H](OC(C)=O)[C@@]3(C)[C@@H]1C2)OC4(C)C	247978460	WDGSJYYXVXQQHP-QGJBNOTMSA-N	532.586	2.955	0	40	KFAB	endogenous,in-man
CC(C)(C)CCN1CCN2C(=O)c3ccccc3OCC[C@@H]3CC[C@@H](NC(=O)C4CCOCC4)[C@@H](CNC(=O)[C@@H]2C1)O3	253408145	XDFOPOJXZDVRSJ-JGDRUYDSSA-N	584.758	2.607	0	40	KFAB	
COc1ccc(OC)c(N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c1	260790055	NCOJKGVIGQOPDH-LJQANCHMSA-N	519.664	2.844	0	40	KFAB	
Cc1cccc(CN(C(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C)c1	260875533	GMGAPJBVKGCSRF-LJQANCHMSA-N	503.621	2.679	0	40	KFAB	
CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(Br)cc1)C(C)(C)C	575435696	FKLBCYXJZDLDLM-FGTMMUONSA-N	512.445	2.967	0	40	KFAB	
CC1(C)NC(=O)C[C@@H](C(=O)NCCCn2ccc(C(F)(F)F)n2)NC(=O)c2ccccc2OC[C@@H](Cc2ccccc2)NC1=O	643567992	CXGQMAUDHDXERT-GGAORHGYSA-N	628.652	2.612	0	40	KFAB	
CCOC(=O)CNC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C	6546569	VKJPEHXWQZILKR-XXBNENTESA-N	527.618	2.885	0	40	KFAB	
COc1ccc(NC(=O)Cn2nnc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)n2)cc1	100365979	VWTFSRYHGQXRLP-UHFFFAOYSA-N	522.543	2.559	0	40	KFAB	
COc1ccc(CN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[C@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1	100377766	ZNXOUBIIWMQCOE-SANMLTNESA-N	590.656	2.800	0	40	KFAB	
COc1ccc(CN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[C@@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1	100377773	ZNXOUBIIWMQCOE-AREMUKBSSA-N	590.656	2.800	0	40	KFAB	
COC(=O)Cn1c(=O)c(C(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)c(N)n(Cc2ccccc2)c1=O	103075664	IXYXJCQXTJQAMK-UHFFFAOYSA-N	589.988	2.738	0	40	KFAB	
NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)COc1cc(O)c2c(=O)c(-c3ccc4c(c3)OCCO4)coc2c1	104039546	FCCUWKPTCIBKQH-RPWUZVMVSA-N	613.623	2.519	0	40	KFAB	biogenic
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225229929	ZTCIOSCRTMIYHY-QZTJIDSGSA-N	521.611	2.695	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	225248516	IFNBVKCTUHOAAS-MRXNPFEDSA-N	536.448	2.927	0	40	KFAB	
CCOC(=O)COc1ccccc1/C=c1/sc2n(c1=O)[C@@H](c1ccccc1)C(C(=O)OC)=C(CC)N=2	409045854	IZIIQWFMBDVEOM-VOZFUJEASA-N	506.580	2.740	0	40	KFAB	
COCCN1CCN(C(=O)[C@@H]2CCC(=O)N[C@H](Cc3ccccc3)COc3ccccc3C(=O)NCCCOc3ccccc3C(=O)N2)CC1	643570232	SNBMPJDWGMYYMS-PPTMTGTBSA-N	685.822	2.675	0	40	KFAB	
Cc1cc(OCCNC(=O)[C@@H]2CC(=O)N[C@H](Cc3ccccc3)C(=O)N(C)CCOc3ccccc3C(=O)N2)ccc1Cl	643579331	YVFOTQIGZJGGOT-RRPNLBNLSA-N	607.107	2.910	0	40	KFAB	
Cn1c(=O)n(C)c2cc(CCC(=O)N3CCC[C@H]4NC(=O)COc5ccccc5CC=CC[C@H]43)ccc21	1615125244	FTRBHQILQMILKG-DHIUTWEWSA-N	502.615	2.867	0	40	KFAB	
Cc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(F)cc2)o1	12715065	RZLNUPXEWRAQCG-HNAYVOBHSA-N	501.540	2.548	0	40	KFAB	
CN(c1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3Cl)C2)c1)S(C)(=O)=O	19859875	UUDAHHLLLJRJSB-MRXNPFEDSA-N	500.042	2.916	0	40	KFAB	
CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N(C)CC(=O)Nc3c(C)cccc3C)c2)CC1	32966545	HTFREXIHMCAXHX-UHFFFAOYSA-N	507.056	2.994	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCC(N(C)C)CC4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	105497303	VCKQKRWGGZMHLW-ZEKHAJRLSA-N	580.707	2.939	0	40	KFAB	
CC(=O)N[C@@H]1[C@H](Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	195528630	AUZCUOOUVRHFOF-CENDIDJXSA-N	559.412	2.759	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1	224312833	WZDKFFOSFNCQCQ-MHZLTWQESA-N	585.704	2.764	0	40	KFAB	
CC(C)=C[C@@H]1C[C@](C)(O)[C@@H]2[C@@H]3CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@@H]7O)[C@@H]6O)C(C)(C)[C@H]5CC[C@@]4(C)[C@@]34CO[C@@]2(C4)O1	253590547	ZQOWXUBGLKIVHR-PJYUOKRDSA-N	736.940	2.782	0	40	KFAB	biogenic
CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(OC)c(OC)cc3C(=O)OC)C2)cc1	408590499	HOTXPGXZERAZSH-INIZCTEOSA-N	506.577	2.929	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCC)c3OCC(=O)O)c(=O)n2[C@@H]1c1ccc(C)cc1	409196343	UAWWEMUCEKEREF-JRXNCPAPSA-N	536.606	2.969	0	40	KFAB	
COc1ccc(CN(C(=O)c2ccc(S(=O)(=O)c3ccccc3)o2)[C@H]2CCS(=O)(=O)C2)cc1OC	526052249	JTBXEZRDLFXRHI-SFHVURJKSA-N	519.597	2.959	0	40	KFAB	
CNC(=O)Cc1nc2ccccc2n1CC(=O)N1CCO[C@@H](c2cc(Nc3ncc(C)s3)nc(C)n2)C1	585263640	XKNIMOQXZCIZAV-HXUWFJFHSA-N	520.619	2.532	0	40	KFAB	
COCCC[C@H]1O[C@@](O)([C@@H](C)[C@@H]2C[C@H](OC)[C@H](O)C=C(C)C=C(C)C=C(C)[C@H](O[C@H]3O[C@H](C)[C@@H](OC)[C@H](O)[C@H]3O)[C@H](C)C=C(CO)C=C(OC)C=C(C)C(=O)O2)[C@H](OC)[C@@H](O)[C@]1(C)O	2048392561	VTVRDHRYRTVEOZ-VTOYFYQDSA-N	913.108	2.692	0	40	KFAB	
CCCCCOC(=O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1cccc2ccccc12	6149681	HKUMEDOYHUAFKV-SFHVURJKSA-N	526.615	2.842	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCOCC4)o3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1	8445318	MFPAKNRWUVZZMK-YSSBIZNGSA-N	588.480	2.999	0	40	KFAB	
CC[C@H](C)n1c(SCC(=O)NCc2ccco2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1	8670693	FJQAOLQUFRELET-KRWDZBQOSA-N	519.649	2.939	0	40	KFAB	
C[C@@H](C(=O)NC(C)(C)C)N(C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1cccc(F)c1	12708951	BGPYPFNJZWPPLU-HXQCJVTRSA-N	505.568	2.578	0	40	KFAB	
CCC(C)(C)NC(=O)[C@@H](c1ccc(OC)cc1)N(CCN1CCOCC1)C(=O)Cn1nnc2ccccc21	20109315	AIXVLXXLFYCKJC-AREMUKBSSA-N	522.650	2.647	0	40	KFAB	
Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1	20458617	SYLYUWSTEBHBIG-JOCHJYFZSA-N	501.586	2.962	0	40	KFAB	
COc1cc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@H]2CCCO2)c2ccccc2F)ccc1-n1cnnn1	100337618	KXJZVYOELANYMP-NGOKVRLYSA-N	585.600	2.624	0	40	KFAB	
CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	222438582	YJAOMGLVHJLXHJ-OAQYLSRUSA-N	503.621	2.822	0	40	KFAB	
COCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1	222950364	VOJPYQPXUPDKLE-OAQYLSRUSA-N	531.675	2.592	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1cccc(OC)c1)[C@@H](C)C(=O)NCC(C)C)c1ccc2c(c1)OCCO2	224442353	AMJINCAWWFCZPO-FQEVSTJZSA-N	547.674	2.812	0	40	KFAB	
CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1	226051538	FFNDUUFHLXQGKB-UHFFFAOYSA-N	521.705	2.793	0	40	KFAB	
CN1CCN(C(=O)C[C@@]2(COc3ccccc3)CCCN(S(=O)(=O)c3cc(F)cc(F)c3)C2)CC1	257257319	KPAMSTZLBDXQIF-VWLOTQADSA-N	507.603	2.979	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OCCCn3ccnc3)c(OC)c2)C[C@@](O)(COc2ccc(C)cc2)C1	585275195	ZQIHPBSPRGWYLK-PMERELPUSA-N	552.672	2.770	0	40	KFAB	
COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(C4CCCCC4)CC3)cc2c1	20080000	QTDKNXLLQAMTBT-WIOPSUGQSA-N	507.639	2.742	0	40	KFAB	
Cc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)Cc3nnnn3Cc3ccc(F)cc3)cc2c1	20109440	JQZQMNLAJMEMEQ-UHFFFAOYSA-N	505.598	2.735	0	40	KFAB	
CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)C1	22531404	WRLHCAUTYMLDIE-OAHLLOKOSA-N	501.030	2.598	0	40	KFAB	
CCCCN(C(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	32981947	PYCVAVLRAKCAGJ-UHFFFAOYSA-N	536.677	2.958	0	40	KFAB	
CCOC(=O)c1ccc(NC(=O)Cn2c(=O)ncc3cc(S(=O)(=O)N4CCCC[C@H]4C)ccc32)cc1	71772566	HMAAMJMZBLGHPG-QGZVFWFLSA-N	512.588	2.775	0	40	KFAB	
CCOC(=O)C1=C(CC)Nc2ccccc2N=C1NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1	102262373	IPEYPWGHCCYUPI-UHFFFAOYSA-N	542.614	2.829	0	40	KFAB	
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=S)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C	102928190	RNVHXDHQVVLUOQ-UHFFFAOYSA-N	592.740	2.777	0	40	KFAB	
O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl	103017102	YXVXVCYLAWMXON-UHFFFAOYSA-N	528.052	2.788	0	40	KFAB	
CC(C)CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222857987	ROUZDEOAEMRPKP-OAQYLSRUSA-N	549.665	2.805	0	40	KFAB	
C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	222886934	NESSFASZGWBRNH-KRWDZBQOSA-N	521.611	2.695	0	40	KFAB	
COc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(=O)(=O)c2ccccc2)cc1	224282538	AOSRAYHGGVAJIZ-UHFFFAOYSA-N	573.693	2.870	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccc(Cl)cc2)cc1OC	224451663	ZPWGAVSVLFQHLH-UHFFFAOYSA-N	654.163	2.769	0	40	KFAB	
CN(CC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCc1ccc2c(c1)OCO2)S(C)(=O)=O	260714274	BTJINZSWJGRXMT-XMMPIXPASA-N	555.628	2.702	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409033975	GDWMVUPVWZJWTH-CJIXEESDSA-N	596.658	2.766	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(CC(=O)N4CCOCC4)c4ccccc34)c(=O)n2[C@@H]1c1cccs1	409164332	GYNYOQPUJZQPOZ-RJFKIUDMSA-N	576.700	2.673	0	40	KFAB	
COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)ccc1OCC(=O)O	409206399	JCWKKHPTWVUUSL-FYJGNVAPSA-N	527.555	2.670	0	40	KFAB	
COC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)sc2c1CCN(C)C2	8880766	XEWAWVPHUYHRCI-GJZGRUSLSA-N	507.634	2.573	0	40	KFAB	
O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CCc2ccccc2C1)OCCO3	20081141	ZGQKBYCRRUPGEL-CPJSRVTESA-N	500.559	2.613	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CCN(C)CC2)c2cccc(C(F)(F)F)c2)cc1	22935207	AASZXIOSWIBSMK-UHFFFAOYSA-N	512.598	2.963	0	40	KFAB	
CO[C@H]1O[C@@H](CNC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H](OC)[C@H]1NC(=O)c1ccccc1	39945490	AQQYYMVCHAXJFN-WDPBYUKPSA-N	518.566	2.827	0	40	KFAB	
CCOC(=O)C1=C(COC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)NC(=O)N[C@@H]1c1ccco1	102220491	VOTDBULXMOEPQO-FXAWDEMLSA-N	537.978	2.501	0	40	KFAB	
Cn1c(N)c(C(=O)COC(=O)c2cc(-c3ccccc3)nc3ccc(Br)cc23)c(=O)n(C)c1=O	102272913	YONOAUSTAFQWGO-UHFFFAOYSA-N	523.343	2.684	0	40	KFAB	
CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OC)n2c(s/c(=C\c3ccc(N4CCN(C)CC4)o3)c2=O)=N1	103708788	OEWUZHLXJBVKDD-ARYJOXFRSA-N	550.681	2.932	0	40	KFAB	
CCOC(=O)N1CCN(C(=O)[C@H](C)Nc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)CC1	108448468	KLUGXQGRYKRKAG-MBSDFSHPSA-N	596.681	2.964	0	40	KFAB	biogenic
COc1ccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1S(=O)(=O)N1CCCCC1	139997515	ZZLZAKAPDRYKQA-HXUWFJFHSA-N	544.051	2.689	0	40	KFAB	
NCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)NCCCC[C@@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@@H]1C(=O)O)C(=O)N1CCC[C@@H]1C(=O)O	150338985	HLRMNXJOFRUYAM-DCEJYZIPSA-N	792.975	2.557	0	40	KFAB	in-vitro
COCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O	223225929	MFZNRKAZSRZBOC-NDEPHWFRSA-N	567.708	2.860	0	40	KFAB	
CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	224131810	MCBJQTXZXRGMLZ-JOCHJYFZSA-N	517.648	2.948	0	40	KFAB	
Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2ccc(O[C@@H](C)C(=O)N3CCOCC3)cc2)CC1	408609425	SVYOCVPLMVFJTB-IBGZPJMESA-N	508.040	2.785	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCC(=O)O)c3)c(=O)n2[C@H]1c1ccc(SC)cc1	408840975	HVTJXETZJZSOEJ-BXDIUNCMSA-N	524.620	2.984	0	40	KFAB	
COc1ccc(CCNS(=O)(=O)c2ccc(OCC(=O)Nc3ccc4c(c3)OCO4)cc2)cc1OC	409196881	RSUXLBHQWRIFLV-UHFFFAOYSA-N	514.556	2.971	0	40	KFAB	
CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCC(C)(C)c2ccc(F)cc2)CC(=O)N[C@@H](Cc2ccccc2)C1=O	643566124	PKJDWTYWLJACBC-SVBPBHIXSA-N	588.680	2.987	0	40	KFAB	
CC(C)[C@H]1NC(=O)C[C@@H](C(=O)NCCOc2ccc(Cl)cc2)NC(=O)c2ccccc2OC[C@@H]2CCCN2C1=O	643578565	YPZUJIQLSUAHAE-AMZDPNTKSA-N	571.074	2.548	0	40	KFAB	
CC(=O)NCCNC(=O)C[C@@H]1c2nc(NC(=O)c3c(F)cccc3F)sc2C[C@H]2[C@@]1(C)CC[C@@H](O)[C@@]2(C)CO	4222402	SKWJYFBJQTVNRG-VEGUFWICSA-N	564.655	2.732	0	40	KFAB	biogenic,in-vitro
Cc1cn([C@@H]2C[C@@H](O)[C@H](COC(c3ccccc3)(c3ccccc3)c3ccc(OCC(=O)O)cc3)O2)c(=O)[nH]c1=O	5493280	FHTNSNQDROOYJV-PVHODMMVSA-N	558.587	2.966	0	40	KFAB	
CN(Cc1ccccc1)Cc1cn(C[C@H]2C[C@H]3CCN2C[C@@H]3C(=O)NCc2ccc3c(c2)OCO3)nn1	8299161	IUPDEMUTSBFDTR-GPXOXTDOSA-N	502.619	2.666	0	40	KFAB	biogenic,in-vitro
C[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1=O	12565592	MDRPAWUVHDXUDC-HSZRJFAPSA-N	504.996	2.920	0	40	KFAB	
COc1cc([C@H]2C(C(=O)OCC(C)C)=C(C)N=c3s/c(=C/c4ccco4)c(=O)n32)ccc1OC(C)=O	16700727	DROUJKDZBQBDLF-NWKGEQBZSA-N	510.568	2.961	0	40	KFAB	
Cc1ccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2c1	22871813	PQUMJXRAUZEYGH-CUNXSJBXSA-N	543.628	2.638	0	40	KFAB	
CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1	32960978	BBGJTGBCWJBVLZ-UHFFFAOYSA-N	519.567	2.606	0	40	KFAB	
COc1ccc2cc(CN(Cc3ccc4c(c3)OCO4)Cc3nnnn3C[C@@H]3CCCO3)c(=O)[nH]c2c1	57607785	IZEDQCPWSJBBGC-NRFANRHFSA-N	504.547	2.633	0	40	KFAB	
CCC[C@H](NC(=O)Cc1c(C)c2cc3c4c(oc3c(C)c2oc1=O)CCCC4)C(=O)N[C@H](CCCNC(N)=O)C(=O)O	97957025	JJWULMSGEWKVDT-FCHUYYIVSA-N	582.654	2.880	0	40	KFAB	
CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc(Br)c1OCC(=O)O	97961095	DCBIXZXTHZYVAJ-CXUHLZMHSA-N	548.346	2.851	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@@H](OC(C)=O)[C@@H](NC(=O)c2cc(-c3ccccc3)nc3ccccc23)[C@@H](OC(C)=O)[C@H]1OC(C)=O	97983233	VVMNWCWAUDNQKP-RKBVRRORSA-N	578.574	2.715	0	40	KFAB	
COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(F)c2)cc1OC	100309837	RPVVSUSUTZWMGW-HTAPYJJXSA-N	557.604	2.664	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(S(=O)(=O)NC)ccc3C)C2)cc1Cl	222606452	BYOMBGJCPHHIKV-MRXNPFEDSA-N	530.068	2.995	0	40	KFAB	
CC(C)CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	224302785	FEOVMRPODNFFRS-SFHVURJKSA-N	510.607	2.767	0	40	KFAB	
COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)Nc3cccc(-c4nc(C)cc(=O)[nH]4)c3)CC2)c1	226046721	XHRODOWKLXHOJU-UHFFFAOYSA-N	512.588	2.802	0	40	KFAB	
Cn1cc(-c2ccc3c(c2)OCC[C@@H]2CC[C@H](O)[C@@H](CNC(=O)[C@@H]4CN(CC5CCCCC5)CCN4C3=O)O2)cn1	253395700	CEFKKKTUOYHUMI-KEQINOFFSA-N	565.715	2.601	0	40	KFAB	
O=S1(=O)NC[C@H](O)CN(Cc2ccc(F)cc2)C[C@]2(COc3cc(-c4ccccc4F)ccc31)C[C@H](O)[C@H](O)C2	253398152	GPLKDRZFNPDYFB-OLAVNICZSA-N	574.646	2.668	0	40	KFAB	
COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2)c1	408600353	AGLSQZYLOAPODU-UHFFFAOYSA-N	539.610	2.948	0	40	KFAB	
O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1)NCCCN1CCOCC1	408623202	ROJUDQCECLADGE-UHFFFAOYSA-N	502.475	2.611	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)O)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409031667	HXWQMWBMMBXHLA-GVEDRGFISA-N	654.694	2.611	0	40	KFAB	
COc1ccc(S(=O)(=O)CC(=O)N2CCOc3ccccc3Oc3ncccc3C(=O)N(C)CC2)cc1	643567317	YQROIVCCHVMZCB-UHFFFAOYSA-N	525.583	2.649	0	40	KFAB	
COc1cccc(CCCNC(=O)[C@@H]2CCC(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)CCOc3ccccc3C(=O)N2)c1	643569123	MBLUZPJOAUSWTF-VMPREFPWSA-N	600.716	2.901	0	40	KFAB	
CC(C)C[C@H]1C(=O)N(C)CC(=O)N[C@H](Cc2ccccc2)COc2ccccc2C(=O)N[C@H](C(=O)NCc2cccc(CN3CCOCC3)c2)CC(=O)N1C	643574593	CKUMZGOTPKKHEG-YGIRKPQBSA-N	754.929	2.775	0	40	KFAB	
CC(C)C(=O)N1CCCCCCCNCc2cc(C(=O)NCCn3ccc(NS(C)(=O)=O)n3)ccc21	643583787	LQELEAOKDGFJFE-UHFFFAOYSA-N	518.684	2.727	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	631735	YEDDRVSWFYTLGB-PGGUJSHWSA-N	509.584	2.966	0	40	KFAB	
COc1ccc(N2C(=O)NC(=O)[C@](Cc3ccccc3OC)(CN3C[C@H]4C[C@H](C3)c3cccc(=O)n3C4)C2=O)cc1	2139233	SSAKRCIAUGIXDA-GVAAONNMSA-N	556.619	2.797	0	40	KFAB	
CCOC(=O)CNC(=O)[C@H](c1ccc(OCC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1OCC	6601375	GGLYPZJPCWPFNS-QHCPKHFHSA-N	569.640	2.689	0	40	KFAB	
CCOC(=O)CSc1nc2cc3c(cc2c(=O)n1CCCC(=O)NCCc1ccc(OC)c(OC)c1)OCO3	8673654	WAAFRGIJTWQBIR-UHFFFAOYSA-N	557.625	2.937	0	40	KFAB	
COc1ccc(N2C[C@H](C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)CC2=O)c(OC)c1	13115860	XPLPIGIYKWQDHI-CQSZACIVSA-N	502.574	2.953	0	40	KFAB	
COc1ccc(CN(Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)Cc2nnnn2C[C@@H]2CCCO2)cc1	57640439	HTGQTGUIYUOFKF-QFIPXVFZSA-N	518.574	2.676	0	40	KFAB	
COCCCNC(=O)c1ccc(Cn2c(=O)c3ccccc3n(CC(=O)Nc3ccc(OC)c(OC)c3)c2=O)cc1	101331654	GTEYAFZCHHRTPL-UHFFFAOYSA-N	560.607	2.634	0	40	KFAB	
CCOc1ccccc1OCCCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCN(C)CC1	103014080	QJJCVXVXBFHWCE-UHFFFAOYSA-N	546.690	2.656	0	40	KFAB	
COC(=O)[C@@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1c(C)cc(OCCCC(=O)NCCNC(=O)OCc2ccccc2)cc1C	197608114	NIOJNRVBAOUYHE-RUZDIDTESA-N	664.778	2.850	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C	222522080	TUDRQSVCMYFBIP-VWLOTQADSA-N	526.634	2.825	0	40	KFAB	
CCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	224292743	LASLFZVZFJSENS-IBGZPJMESA-N	510.012	2.778	0	40	KFAB	
COCCNC(=O)c1ccccc1NC(=O)CCc1cc(S(=O)(=O)N2CCCCC2)ccc1OC	224540361	LCOPACIRJNGURN-UHFFFAOYSA-N	503.621	2.817	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	225365090	WYZOQEXHVPZLFX-ZWKOTPCHSA-N	519.620	2.522	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N(CC(=O)NCCNS(=O)(=O)c2ccc(C)cc2)Cc2ccccc2)cc1C	226060873	FNDDVGDITDVXOT-UHFFFAOYSA-N	559.710	2.988	0	40	KFAB	
CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@]6(O)[C@@H](OC)C[C@](OC(C)=O)([C@H]([C@H](OC)[C@H]23)[C@@H]14)[C@H]5[C@H]6OC(=O)c1ccc(OC)cc1	257198687	GAZDXIGXYWVWQX-DBXOFXIZSA-N	643.774	2.715	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	260880285	BZKXMFCYJYTQFF-PMACEKPBSA-N	517.648	2.864	0	40	KFAB	
COc1ccc(CCNC(=O)c2ccccc2NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCOCC3)c2)cc1OC	408693024	BJGYMROMYLQJBX-UHFFFAOYSA-N	583.663	2.958	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)cc3O)c(=O)n2[C@@H]1c1cccc(OC)c1OCC	408915166	YKIGKJDEEYHULW-FNUHDPNESA-N	510.568	2.617	0	40	KFAB	
CCN1CC(=O)N(C)CC(=O)N[C@H](Cc2ccccc2)COc2ccccc2C(=O)N[C@H](C(=O)NCC(C)(C)c2ccc(F)cc2)CC1=O	643574579	BBXREZDVYTXENE-DGPALRBDSA-N	673.786	2.835	0	40	KFAB	
CCOC(=O)CSC1=Nc2ccccc2C2=N[C@@H](CCC(=O)NCc3ccc4c(c3)OCO4)C(=O)N12	2967164	DEBXBCYRVDGOLH-SFHVURJKSA-N	508.556	2.767	0	40	KFAB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c2cccc(C(F)(F)F)c2)c(C)c1	3303088	SZECGUUEIDOUCV-UHFFFAOYSA-N	538.548	2.688	0	40	KFAB	
COCC(=O)Nc1nc2c(s1)C[C@H]1[C@@](C)(CC[C@@H](O)[C@@]1(C)CO)[C@@H]2CC(=O)NCc1ccccc1	3841097	KHUVWHZUHSNBLD-BTMGPYGNSA-N	501.649	2.850	0	40	KFAB	biogenic,in-vitro
O=C(CSc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)s1)Nc1nccs1	9366196	LRYZEWUCPYSJQH-UHFFFAOYSA-N	510.648	2.762	0	40	KFAB	
Cn1c(=O)c2c(nc3n2[C@H](c2ccccc2)C(c2ccc(-c4ccccc4)cc2)=NN3CCO)n(C)c1=O	9462899	IKSDUKPOMOIEQS-XMMPIXPASA-N	506.566	2.907	0	40	KFAB	
CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)N3CCCc4c(C(=O)OC)cccc43)CC2=O)cc1	12920414	BJSSLGWGAZDNPI-GOSISDBHSA-N	513.616	2.836	0	40	KFAB	
COc1ccc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)cc1OCCC(=O)O	77287165	WGLWFINTGGHHBQ-MLCQCVOFSA-N	551.725	2.732	0	40	KFAB	in-vitro
COc1ccc([C@H](c2c(O)n(C)c(=S)[nH]c2=O)c2c(O)[nH]c(=S)n(C)c2=O)cc1CN1CCCCC1	100730370	YHLQQEZJIFWVKF-INIZCTEOSA-N	531.660	2.785	0	40	KFAB	
CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(S(=O)(=O)NC)ccc2C)C1	222610122	HXGOUEQLDSWMJX-MRXNPFEDSA-N	530.068	2.995	0	40	KFAB	
C[C@@H](C(=O)NCCN1CCOCC1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1	222815097	FQVSGHQJBMSBBU-NRFANRHFSA-N	577.147	2.579	0	40	KFAB	
C[C@@H](C(=O)NCc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222855120	KHXJDLZFELMPGQ-QFIPXVFZSA-N	569.655	2.959	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCC2)c1	224030989	AHXNPFHOODKVSW-SFHVURJKSA-N	531.631	2.666	0	40	KFAB	
COc1ccc(OC)c(N(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c1	224122485	XVZUFVLOHNFUNF-FQEVSTJZSA-N	519.664	2.968	0	40	KFAB	
CC[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O	224256150	XFTJDJJGFOKRKW-FQEVSTJZSA-N	552.502	2.984	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O	225033959	ZAGFFZLWPZNHPF-GOSISDBHSA-N	501.605	2.563	0	40	KFAB	
CCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	225384701	PIGLJKWYDXFRJC-OAQYLSRUSA-N	501.605	2.563	0	40	KFAB	
CCN(CC)S(=O)(=O)c1ccc(NC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1	225859130	GYKHNJHVDLVRKO-UHFFFAOYSA-N	525.649	2.673	0	40	KFAB	
CC(=O)N1CCC(N2CC(=O)N3CC[C@@H](CC(=O)NCCN4CCCC4)[C@@H](/C=C\COc4ccccc4C2)C3)CC1	253398827	HPMNMDLBEUOIAK-YINQGCILSA-N	565.759	2.515	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCC(=O)O)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1	408827979	IFLMGWRNBVPGFY-BHSBJAHRSA-N	634.448	2.875	0	40	KFAB	
COc1ccc(N(CC(=O)NCc2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	409387688	JKZTVUQLJNPDGD-UHFFFAOYSA-N	514.556	2.953	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OCCCn3cc(C)cn3)c(OC)c2)C[C@@](O)(COc2ccccc2)C1	585278903	AWTRJSWHQVJSMN-PMERELPUSA-N	552.672	2.770	0	40	KFAB	
CC(C)C[C@H]1NC(=O)C[C@@H](C(=O)NCCOc2ccccc2C(C)C)NC(=O)c2ccccc2OCCN(C)C1=O	643578959	LQZQUDMNBJHCOT-LOSJGSFVSA-N	566.699	2.875	0	40	KFAB	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](OC(=O)CCC(=O)O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC	4777980	FQGIDCZRZSKLJZ-XKXDIVCFSA-N	514.483	2.825	0	40	KFAB	
O=C(Cn1c(=O)n(-c2ccc(CC(=O)NC3CCCC3)cc2)c(=O)c2ccccc21)NCc1ccco1	9617191	YGEFLKSQQKBTKQ-UHFFFAOYSA-N	500.555	2.663	0	40	KFAB	
Cc1ccc(N(C(=O)C[S@@](=O)CC(=O)Nc2ccc3c(c2)OCO3)[C@@H](C)C(=O)NC2CCCC2)cc1	19941214	RPQZFLFJJLNZBK-YJDVNGEMSA-N	513.616	2.891	0	40	KFAB	
CCCCn1c(N)c(N(CC(C)C)C(=O)CN2CCN(c3cc(Cl)ccc3C)CC2)c(=O)[nH]c1=O	25391950	DVZYFHRBJFBJNV-UHFFFAOYSA-N	505.063	2.692	0	40	KFAB	
CCCCN1CCN(C(=O)c2cn(CC)nc2S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1	67337570	SAHHMMMLHQIJEU-UHFFFAOYSA-N	523.103	2.625	0	40	KFAB	
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@@H](C(=O)O)c1ccccc1	70706049	ZGLQHFKOOXZPDW-KKUQBAQOSA-N	556.619	2.947	0	40	KFAB	biogenic
COC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H]1CN(C(=O)c2ccc(N(C)C)cc2)CCN1C(=O)NC1CCCCC1	77261567	FVHPTVFVLQZLDY-WUFINQPMSA-N	593.725	2.830	0	40	KFAB	biogenic,in-vitro
CC(C)C[C@@H](NS(=O)(=O)c1ccc2c(c1)Cc1cc(S(=O)(=O)N[C@H](CC(C)C)C(=O)O)ccc1-2)C(=O)O	102415442	GXLCCLMGUIGJQP-DHIUTWEWSA-N	552.671	2.813	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C	113490817	PDGUFXOUSPQDFO-UHFFFAOYSA-N	538.692	2.738	0	40	KFAB	
CS(=O)(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1ccc2c(c1)OCO2	140046914	CJFOIUGNYOJHHT-UHFFFAOYSA-N	532.600	2.796	0	40	KFAB	
CCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C	225409874	ZYYZCQKXWZRSSQ-HSZRJFAPSA-N	504.653	2.642	0	40	KFAB	
CC(C)Oc1ccc([C@@H](CC(N)=O)c2oc(CN3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)cc(=O)c2O)cc1	257198821	JDKKMTWZUQODLT-JXHRLWIKSA-N	519.598	2.921	0	40	KFAB	
COc1cccc2c1OC(C)(C)[C@@H]1C[C@H]3CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)CC[C@H]3O[C@@H]21	257305707	SRDAAFZHLQDLHA-FNHONLOCSA-N	517.623	2.930	0	40	KFAB	
CCN(CC(=O)N1C[C@H](C(=O)NCc2ccccc2)Oc2ccccc21)S(=O)(=O)c1cc(F)ccc1OC	260749141	SYOGCIOOXWWFTH-XMMPIXPASA-N	541.601	2.956	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1OC	408923598	GRMIYFDGOQREPO-MFUBYVTQSA-N	554.621	2.841	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OCCCN3CCCCC3=O)cc2)C[C@@](O)(COc2ccc(C)cc2)C1	585279733	GFPQZIUFUSIZNL-HKBQPEDESA-N	553.700	2.877	0	40	KFAB	
CO[C@@H]1CN(C(=O)c2ccccc2F)C[C@@H](CC(C)C)N(C(=O)CN(C)CCc2ccccn2)CCCCOC[C@@H](O)[C@H]1O	643551700	CYXCIDHNBUIBTG-BNXUFIDZSA-N	616.775	2.628	0	40	KFAB	
COc1cc([C@@H]2[C@@H](C(C)=O)N3N=Cc4ccccc4[C@@H]3C23C(=O)OC(C)(C)OC3=O)ccc1OC(C)=O	2359026	VESUMBFJRABQSF-DNVJHFABSA-N	506.511	2.889	0	40	KFAB	
CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)sc2c1CCN(C(C)=O)C2	3007282	APFDERGLUNLEPU-HZPDHXFCSA-N	549.671	2.880	0	40	KFAB	
CCOc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(Cc2cccs2)C(=O)c2snc(C(N)=O)c2N)cc1	6601419	PQHOVSWCDAXAFM-UWJYYQICSA-N	543.671	2.963	0	40	KFAB	
COc1cc([C@@H](C(=O)NC2CCCC2)N(Cc2ccco2)C(=O)c2snc(C(N)=O)c2N)cc(OC)c1OC	6906253	FEOXQSTYUXHDBI-NRFANRHFSA-N	557.629	2.886	0	40	KFAB	
Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(O)cc2)c(C)c1	12473983	PFEYKUIBCNWITE-XMSQKQJNSA-N	523.615	2.830	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1	20452105	ZRBVNYFXWBUCQS-UHFFFAOYSA-N	526.080	2.721	0	40	KFAB	
CCCC(=O)N1CCN(C(=O)[C@@H](NC(=O)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)CC1	36625609	RGXOEUYCTLDPGG-QHCPKHFHSA-N	506.024	2.649	0	40	KFAB	
COc1cccc(C[C@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3cccc4ccccc34)CC2)c1OC	100468813	DSPXAOGPACTJEZ-DEOSSOPVSA-N	539.654	2.874	0	40	KFAB	
COc1cc(OC)cc(C(=O)N[C@H](C(=O)OCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C(C)C)c1	102778628	RPJSMCICQMBBPP-QFIPXVFZSA-N	556.037	2.544	0	40	KFAB	
CCn1cc(C(=O)NCc2ccc(OC)c(OC)c2)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1	102920944	VUTYZZLENVFKKV-UHFFFAOYSA-N	541.674	2.978	0	40	KFAB	
COc1ccc(C(=O)NC(=O)COC(=O)CNS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1	103116192	VFRJZPLGSFIYPE-UHFFFAOYSA-N	542.410	2.511	0	40	KFAB	
COC(=O)[C@H]1CN(C(=O)COc2ccc(S(=O)(=O)Nc3cccc(OC)c3)cc2)c2ccccc2O1	222736405	NTQCYWJFUXKEOT-HSZRJFAPSA-N	512.540	2.842	0	40	KFAB	
CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O	223411422	KSPXIMVNCWYRIF-HSZRJFAPSA-N	505.637	2.803	0	40	KFAB	
CCc1ccc(OCCNC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)cc1	223773711	JWYWCGNVUYKTTH-UHFFFAOYSA-N	502.374	2.815	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3C(=O)NC[C@H]3CCCO3)CC2)cc1	225498052	GBKLZRXKUVGASV-HXUWFJFHSA-N	501.605	2.643	0	40	KFAB	
CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	260980966	OCCCSJXTDHDUOO-KNQAVFIVSA-N	517.648	2.946	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	261055917	MXAPVAWGUORWEV-ROUUACIJSA-N	510.607	2.910	0	40	KFAB	
O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	408863874	QQXVZHZRTMQCNT-MHZLTWQESA-N	632.786	2.564	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3O)c(=O)n2[C@H]1c1cc(OC)ccc1OC	408921531	COIJTKQVYLERRM-AFHVAHMMSA-N	510.568	2.530	0	40	KFAB	
COc1cccc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)NCc2ccccc2OC)c1	409378827	SBBZCHNDTHFJHD-RPWUZVMVSA-N	537.521	2.864	0	40	KFAB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(O[C@H](C)C(=O)OC)cc3Br)C2=O)o1	409400086	OQYBYZGGKSQIOF-LYGDGENHSA-N	537.319	2.871	0	40	KFAB	
COCC(=O)N1CCN(C[C@]2(O)CC[C@@H](c3ccccc3)CC2)C[C@](O)(COc2cccc(F)c2F)C1	585288094	VZSMZWJWWHTSAM-KKVCJECGSA-N	518.601	2.954	0	40	KFAB	
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CSc3nnc(-c4ccncc4)n3C)cc2)nc(C)n1	2355998	ZQFUXRVPLVOALT-UHFFFAOYSA-N	510.605	2.816	0	40	KFAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)Cn4nc(C(F)(F)F)c(Cl)c4C)[C@@H]3SC2)s1	2788131	URSVFUZLBOUYKA-NHYWBVRUSA-N	569.012	2.555	0	40	KFAB	
CCC(C)(C)NC(=O)[C@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCO2	6462207	DYILXENXSPGOPQ-FQEVSTJZSA-N	525.587	2.951	0	40	KFAB	
COc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(Cl)cc2F)cc1S(=O)(=O)N1CCOCC1	8774852	ISOPBXSSACDUNQ-XVNBXDOJSA-N	512.943	2.704	0	40	KFAB	
C[C@H]1CCc2c(sc(N3CC(=O)N(c4sc5c(c4C(N)=O)CC[C@H](C)C5)CC3=O)c2C(N)=O)C1	12936886	VPLPBOMRABBSRN-RYUDHWBXSA-N	500.646	2.637	0	40	KFAB	
CCOC(=O)c1c(NC(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c2cc(OC)ccc2n1C	20502902	KWLGDOUAZXIFAV-UHFFFAOYSA-N	508.575	2.849	0	40	KFAB	
CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cnc5ccccc5c4=O)cc3)CC2)c1	32859729	NSNBDYYJPNKQRM-UHFFFAOYSA-N	516.579	2.735	0	40	KFAB	
Cn1ncc(Br)c1C(=O)N(C(=O)c1c(Br)cnn1C)c1nc2ccccc2n1CCN1CCOCC1	97948948	SEQXKPULNRKTEI-UHFFFAOYSA-N	620.306	2.848	0	40	KFAB	
C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)C1=O	103027489	TUFXGCNJJPBQBQ-AREMUKBSSA-N	541.029	2.793	0	40	KFAB	
O=c1cccc2n1C[C@H]1C[C@H]2CN(S(=O)(=O)c2ccc3c(c2)OCCOCCOc2ccc(S(=O)(=O)N4C[C@@H]5C[C@@H](C4)Cn4c5cccc4=O)cc2OCCOCCO3)C1	150520037	VEWPBOOJCZBIIR-YDPTYEFTSA-N	864.996	2.888	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	222878632	KJDUBCAHEOPODQ-DEOSSOPVSA-N	535.622	2.616	0	40	KFAB	
CCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	223292500	MJASOTJIAGRALB-MUUNZHRXSA-N	551.665	2.993	0	40	KFAB	
COc1cccc(OCCNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)c1	223859094	DCLAQDFAQVHKGU-UHFFFAOYSA-N	516.547	2.996	0	40	KFAB	
CC[C@@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	224960698	YWLGOAUMFOYEJS-QHCPKHFHSA-N	531.675	2.846	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC(C)=O)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409043467	MJQNLDLOFBSJOO-RNECYNAXSA-N	594.642	2.674	0	40	KFAB	
CC(C)C[C@H]1C(=O)N(C)CC(=O)N[C@H](Cc2ccccc2)COc2ccccc2C(=O)N[C@H](C(=O)NCCOc2ccc(F)cc2)CC(=O)N1C	643574831	UBVQZWCPIOSNFZ-DPFTZIENSA-N	703.812	2.961	0	40	KFAB	
COCCn1nnnc1[C@@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)N(Cc1cccnc1)Cc1ccco1	6136235	HZDWTZHJUSPCOG-RUZDIDTESA-N	531.573	2.958	0	40	KFAB	
COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(F)cc2)cc1	7059813	GTGPROFXKUSQGC-WIYYLYMNSA-N	527.578	2.655	0	40	KFAB	
COc1ccc([C@@H](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)N(C)S(=O)(=O)c2ccccc2)cc1	19936105	BHDBRWNRAJBSQZ-JOCHJYFZSA-N	503.602	2.733	0	40	KFAB	
O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C[C@@H]1CCCO1)N1CCc2ccccc2C1)OCCO3	20081138	ZGQKBYCRRUPGEL-NBGIEHNGSA-N	500.559	2.613	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3ccccc3)CC2)cc1	32992576	ILKFOLWPRYAHHZ-VWLOTQADSA-N	507.612	2.569	0	40	KFAB	
O=C(C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1)N1CCN(S(=O)(=O)c2ccccc2)CC1	59852967	MZTDGRPPPCCNJE-UHFFFAOYSA-N	570.531	2.524	0	40	KFAB	
O=C1[C@@H]2[C@@H](Cc3ccc(O)cc3)N[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C(=O)N1Cc1ccc2c(c1)OCO2	70699145	KEAWQTGGKQATSK-PKVHRPSESA-N	531.952	2.938	0	40	KFAB	biogenic
COC(=O)CC/C(C)=C/Cc1c(OC)c(C)c2c(c1O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)C(=O)OC2	77311505	QSPXJODRMPWBBL-YKNZQUTJSA-N	664.657	2.578	0	40	KFAB	in-vitro
CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O	223035834	SCAGAYVNYZVQBE-HXUWFJFHSA-N	557.454	2.919	0	40	KFAB	
CN(C)c1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)N(CCCC(=O)O)C(=O)[C@@H]54)[C@@H]23)cc1	245228808	FWPPYSXVNCBZKQ-FTILKDGBSA-N	513.641	2.841	0	40	KFAB	
O=CN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2/C=C\COc2ccccc2CN(C2CCCC2)CC3=O)CC1	253399238	IPFDHDWXULYASN-VJQMVFROSA-N	508.663	2.535	0	40	KFAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)OCCO4)c(=O)n2[C@H]1c1ccccc1OC	409099629	RMWFBMXFFJCFIS-ZMIGGIFCSA-N	519.623	2.883	0	40	KFAB	
O=C(NC[C@H]1C=CS(=O)(=O)C1)Nc1ccc(-c2ccc(NC(=O)NC[C@H]3C=CS(=O)(=O)C3)cc2)cc1	575424669	VEWGPKGDZKGEIN-QZTJIDSGSA-N	530.628	2.713	0	40	KFAB	
CC(C)[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCCc2ccccc2)CCC(=O)N2CCC[C@@H]2C(=O)N1	643570746	JYPHVJCACBCDHP-JIMJEQGWSA-N	548.684	2.838	0	40	KFAB	
CN1CCN(CC(=O)N2CCNC(=O)c3cccc(c3)Cc3cc(-c4ccncc4)ccc3OCC2)CC1	643576225	RQUXPSGYQIBECM-UHFFFAOYSA-N	513.642	2.538	0	40	KFAB	
O=C(NC(c1ccccc1)c1ccccc1)C1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1	1361832	BZOGMMDYOYJZSU-UHFFFAOYSA-N	502.600	2.969	0	40	KFAB	
O=C(CCNS(=O)(=O)c1cccc(C(F)(F)F)c1)OCc1cc(=O)n2cc(Br)ccc2n1	2643146	ZOORUKZVFBNQOK-UHFFFAOYSA-N	534.310	2.888	0	40	KFAB	
CCOC(=O)CNC(=O)[C@H](c1ccc2ncccc2c1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)cc1	6089367	QLZYDFQBQQKOPT-QHCPKHFHSA-N	546.609	2.748	0	40	KFAB	
Cc1ccc(S(=O)(=O)NC(=O)Nc2cccc(NC(=O)NS(=O)(=O)c3ccc(C)cc3)n2)cc1	6184277	VZADBTZVFQVNEY-UHFFFAOYSA-N	503.562	2.719	0	40	KFAB	
NC(=O)c1nsc(C(=O)N(c2cccc(F)c2)[C@H](C(=O)NC[C@H]2CCCO2)c2cccs2)c1N	12711341	SNYVAZDXJKRLLQ-KDOFPFPSSA-N	503.581	2.708	0	40	KFAB	
COc1cc2cc([C@H](c3nnnn3C(C)(C)C)N3CCN(Cc4ccncc4)CC3)c(=O)[nH]c2cc1OC	19367188	JKYMWXLMISNBGH-XMMPIXPASA-N	518.622	2.589	0	40	KFAB	
COc1ccc(CCNC(=O)Cn2c(=O)n(CCC(=O)NC3CCN(Cc4ccccc4)CC3)c(=O)c3ccccc32)cc1OC	100852573	KMMQIOSOSXGNRC-UHFFFAOYSA-N	627.742	2.710	0	40	KFAB	
Cc1ccccc1-c1nn2c(=O)cc(CN3CCN(S(=O)(=O)c4cccc5nsnc45)CC3)nc2s1	102349903	CCXWDOAXNBJTRJ-UHFFFAOYSA-N	539.668	2.638	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c2ccc(F)cc2)cc1OC	113634976	IMUZHPACJBUYAV-UHFFFAOYSA-N	591.683	2.880	0	40	KFAB	
O=C(NCCCCCCNC(=O)OCCSCCn1cc(C(=O)NC(=O)OCc2ccccc2)c(=O)[nH]c1=O)OCCSCCn1cc(C(=O)NC(=O)OCc2ccccc2)c(=O)[nH]c1=O	195456658	LASNPBRFYJWGQV-UHFFFAOYSA-N	955.038	2.699	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	222584219	QIGZXXXTLMPRAD-QHCPKHFHSA-N	523.586	2.746	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	223002946	MMESOFPZENGDEN-MRXNPFEDSA-N	556.479	2.786	0	40	KFAB	
CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	224306808	AZCHYWYGLMFBIQ-GOSISDBHSA-N	510.607	2.767	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](NC(=O)c2cc(-c3ccccc3)nc3ccccc23)[C@@H](OC(C)=O)[C@H]1OC(C)=O	245285108	VVMNWCWAUDNQKP-VGVLNSCGSA-N	578.574	2.715	0	40	KFAB	
Cn1c(=O)n(C)c2cc(NC(=O)CN(c3ccc(F)cc3)S(=O)(=O)c3ccc4c(c3)OCCO4)ccc21	408619803	NPTSQPVPCFWFRN-UHFFFAOYSA-N	526.546	2.621	0	40	KFAB	
COc1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c(OC)c1	408683756	ITPSFPFSTNDSQN-WDYMBFKSSA-N	506.555	2.828	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(CC(=O)N4CCOCC4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	409165672	AVQQYUXXAVUNHN-YLKQWKBVSA-N	630.723	2.629	0	40	KFAB	
C[C@@H]1NC(=O)C[C@@H](C(=O)NCc2cccc(CN3CCCC3=O)c2)NC(=O)c2ccccc2OC[C@H](Cc2ccccc2)N(C)C1=O	643565597	JWSSSOXEDKHSNY-GVTDLTHXSA-N	639.753	2.581	0	40	KFAB	
O=C(CN1CCC[C@@]2(CC=CCOc3ccccc3C(=O)NCCNC2=O)C1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	2037879723	MMEZIAZCEAFJDX-YTTGMZPUSA-N	623.776	2.767	0	40	KFAB	
CCCCOC(=O)C1=C(N)n2c(s/c(=C\c3ccc(OC)cc3)c2=O)=C(C(=O)OCC)[C@H]1c1ccc(OC)cc1	1877130	PUAIDDPWFHCECU-RJYQMNAMSA-N	564.660	2.738	0	40	KFAB	
O=C(COC(=O)CCCNS(=O)(=O)c1cccc2nsnc12)Nc1ccc(Br)cc1	3220320	RMISBXPEMTVOHI-UHFFFAOYSA-N	513.395	2.694	0	40	KFAB	
COc1ccc([C@@H]2OC[C@H]3O[C@@H](O[C@@H]4c5cc6c(cc5[C@H](c5cc(OC)c(O)c(OC)c5)[C@H]5C(=O)OC[C@H]45)OCO6)[C@@H](O)[C@@H](O)[C@@H]3O2)cc1	4429639	PYIDINPDCKPLKA-DSPTVGBASA-N	680.659	2.700	0	40	KFAB	
Cc1ccccc1CCN(C(=O)CN1C(=O)c2ccccc2S1(=O)=O)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccncc1	8686880	JIVNFXQYTYXBKT-UFHPHHKVSA-N	576.675	2.642	0	40	KFAB	
CCOC(=O)[C@H]1C(c2ccccc2Cl)[C@@H](C(=O)OCC)[C@@](O)(C(F)(F)F)N[C@@]1(O)C(F)(F)F	16682662	YZHONTVWWQWASA-KYQOMENCSA-N	507.811	2.887	0	40	KFAB	
Cc1cc(C)n2c(SCC(=O)N3CCNC(=O)[C@@H]3CC(=O)Nc3ccc(Oc4ccccc4)cc3)nnc2n1	59781698	IDMDCZINXQBBJY-QFIPXVFZSA-N	545.625	2.981	0	40	KFAB	
O=C1N[C@]2(CCS(=O)(=O)c3ccc(F)cc32)C(=O)N1CC(=O)N1N=C(/C=C/c2ccco2)C[C@@H]1c1ccco1	97981154	LCLFAAANLAQTQA-OZZYNXLISA-N	552.540	2.979	0	40	KFAB	
CCCCn1c(N)c(N(CCOC)C(=O)COC(=O)c2sc3cc(F)ccc3c2Cl)c(=O)[nH]c1=O	97982437	ANFMZRPAWPFXRE-UHFFFAOYSA-N	526.974	2.763	0	40	KFAB	
COc1ccc(CCN2C(=O)NC(=O)[C@@]3(Cc4c(nc5ccccn5c4=O)N4CCc5ccccc5[C@@H]43)C2=O)cc1OC	101671560	KWGCUAKWNZIRQR-DICHSLLOSA-N	579.613	2.679	0	40	KFAB	
COC(=O)Cc1c(C(=O)OC)sc2nc(CN(C)CC(=O)Nc3c(Cl)cccc3Cl)[nH]c(=O)c12	102903733	AIPINUVWLFGEDE-UHFFFAOYSA-N	527.386	2.864	0	40	KFAB	
Cc1ccc(N(CC(=O)O)CC(=O)O)c(OCCOc2cc3oc(-c4ncc(C(=O)O)o4)cc3cc2N(CC(=O)O)CC(=O)O)c1	150377717	XBWUKKGFVAJTGI-UHFFFAOYSA-N	641.542	2.503	0	40	KFAB	in-vitro
C[Si](Cn1ccc(=O)n(C[Si](C)(c2ccccc2)c2ccccc2)c1=O)(c1ccccc1)c1ccccc1	195759179	VECXDLYQSULCTB-UHFFFAOYSA-N	532.792	2.874	0	40	KFAB	
CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC[C@H]2CCCO2)cc1	222871687	DZNKGZPPXDIWIS-AUSIDOKSSA-N	519.639	2.769	0	40	KFAB	
CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	224620317	SSFXSOBMBMVHPQ-JOCHJYFZSA-N	517.648	2.600	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	225186746	IKPKAFZLDYMLND-KRWDZBQOSA-N	507.584	2.654	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)Nc1nnc(SCC(C)C)s1	225875413	HQYFUZCPSJTISZ-UHFFFAOYSA-N	500.668	2.887	0	40	KFAB	
CCc1cc(Br)ccc1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2cccc(C)c2)C1	408661961	WNFIXKRVISDWJR-KRWDZBQOSA-N	502.365	2.995	0	40	KFAB	
CCOC(=O)COc1ccccc1/C=c1\sc2n(c1=O)[C@@H](c1ccccc1)C(C(=O)OCC)=C(C)N=2	408924787	RDTFVOCGXWOQKT-VNSJDZJPSA-N	506.580	2.740	0	40	KFAB	
CCOc1cc(/C=c2\sc3n(c2=O)[C@H](c2cccc(OC)c2)C(C(=O)OC(C)C)=C(C)N=3)ccc1OCC(=O)N1CCOCC1	409151443	BJZHWODNHLYXSF-KOBOZNMDSA-N	635.739	2.832	0	40	KFAB	
O=C(NCc1ccc(NC(=O)[C@H]2C[C@@H]2c2cccnc2)cc1F)c1ccc(N2CCN(C(=O)CCN3C(=O)C=CC3=O)CC2)cc1	1772572747	BCYXMGSOTBLGDN-IZLXSDGUSA-N	624.673	2.857	0	40	KFAB	
NC(=O)c1nsc(C(=O)N(Cc2cccnc2)[C@H](C(=O)NCc2ccccc2)c2ccc(O)cc2)c1N	6446262	XTDJGXDVFNTGQO-QFIPXVFZSA-N	516.583	2.625	0	40	KFAB	
O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl	8692466	IKQYDGBMXKCLEL-UHFFFAOYSA-N	514.309	2.834	0	40	KFAB	
CCCC(=O)N1CCN(C(=O)[C@@H](NC(=O)c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)CC1	9764237	ULTSUVBPGFKTPF-QHCPKHFHSA-N	506.024	2.649	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1	12529598	FSVAURRCSKWQKX-QFIPXVFZSA-N	525.583	2.515	0	40	KFAB	
CCOC(=O)/C=c1\s/c(=C/c2ccc(-c3ccccc3)cc2)c(=O)n1CC(=O)NCc1ccc2c(c1)OCO2	73257903	ZKQDGCIAUMCNPB-JVCCPAOPSA-N	542.613	2.794	0	40	KFAB	
CCOC(=O)C1=c2s/c(=C/c3ccccc3)c(=O)n2C(N)=C(S(=O)(=O)c2ccccc2)[C@H]1c1ccccc1	100565437	YXSNTAQFTQIYNG-OILDRBDJSA-N	544.654	2.809	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)Cn3c(C(F)(F)F)nc4ccccc43)CC2)c(C)c1	103059552	ZUOGKUMAJJYCFI-UHFFFAOYSA-N	538.548	2.748	0	40	KFAB	
CNS(=O)(=O)c1ccc(C)c(NC(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3OC)CC2)c1	222595281	UBHLDWNZJFVPPD-UHFFFAOYSA-N	516.041	2.605	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225563309	SQGPZESAELEZNE-RUZDIDTESA-N	551.665	2.918	0	40	KFAB	
COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)N1C[C@H](C(=O)NCCc2ccccc2)Oc2ccccc21	260753594	ZTSYMJNFBBWBFY-XMMPIXPASA-N	541.601	2.608	0	40	KFAB	
CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(F)cc2)C(C(=O)OCC)=C(C)N=3)cc1	408800796	RBGNNUYBADCYTR-OBVMJLIASA-N	524.570	2.879	0	40	KFAB	
CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2OC)C(C(=O)OCC)=C(C)N=3)cc1	408920352	IRXBEHZKOZFILA-GMPUOFRTSA-N	536.606	2.749	0	40	KFAB	
O=S1(=O)C[C@H](O)[C@@H](N(c2ccccc2)S(=O)(=O)c2cc(Br)ccc2Br)C1	575421234	HLSLLBXJVPUAPV-GJZGRUSLSA-N	525.240	2.565	0	40	KFAB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]2NCc2ccccc2)cc1	575426414	SRBLGIZPSKPQGX-LOSJGSFVSA-N	500.642	2.842	0	40	KFAB	
O=C(Cn1cncn1)N1CCC2(CCCCc3ccccc3OCCN(C(=O)c3cnccn3)C2)CC1	643574423	WOADLKXBPGDFIV-UHFFFAOYSA-N	503.607	2.625	0	40	KFAB	
CC(=O)NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2cc(I)ccc2Cl)cc1	678975	RYFCZDXFFBVNQD-UHFFFAOYSA-N	537.788	2.896	0	40	KFAB	
COc1ccc(CCN2C(=O)[C@@](NS(=O)(=O)c3ccc(Cl)cc3)(C(F)(F)F)N=C2O)cc1OC	3626786	JIFMMPVLJWSYQI-LJQANCHMSA-N	521.901	2.893	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(Br)cc2Br)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	6073917	VBWWLFJAKXINAH-VYJAJWGXSA-N	582.194	2.674	0	40	KFAB	
O=C(c1ccco1)N1CCN([C@@H](c2cc3cc4c(cc3[nH]c2=O)OCO4)c2nnnn2C2CCCCC2)CC1	6445836	OTRSYEDXLKEVKO-DEOSSOPVSA-N	531.573	2.889	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(c3ccccc3OC)[C@@H](C)C(=O)NC3CCCC3)n2)cc1OC	12701577	OJKSYOHAAIEINK-KRWDZBQOSA-N	508.579	2.846	0	40	KFAB	
O=C(C[S@](=O)CC(=O)N(CC(=O)NC1CCCCC1)c1cccc(F)c1)Nc1ccc2c(c1)OCO2	19941265	NWJHOACWLFLMMP-PSXMRANNSA-N	517.579	2.724	0	40	KFAB	
COc1ccc(COC[C@H](O)CN2CCN(CCN3C(=O)c4cccc5cccc(c45)C3=O)CC2)cc1OC	22915539	QYLUIQWIXHTBOE-HSZRJFAPSA-N	533.625	2.648	0	40	KFAB	
O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1	30851188	PHWCKBCNXNUAQI-UHFFFAOYSA-N	521.661	2.666	0	40	KFAB	
COc1ccc(NC(=O)Cn2c(=O)n(-c3ccc(CC(=O)NC(C)C)cc3)c(=O)c3ccccc32)cc1	45899287	UVIZIEVWMFSNTA-UHFFFAOYSA-N	500.555	2.867	0	40	KFAB	
CN(C(=O)CSc1nnc(-c2ccccc2)n1Cc1ccco1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	103062565	CIAQDLHANLUEER-UHFFFAOYSA-N	543.609	2.822	0	40	KFAB	
COC(=O)CN1C(=O)S/C(=C/c2cc(I)c(O)c(I)c2)C1=O	205690815	MSEDMMRBTYIYMA-RUDMXATFSA-N	545.092	2.811	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	222716222	OQUMVEBIIIHLHJ-CQSZACIVSA-N	519.426	2.909	0	40	KFAB	
CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O	222942073	FNTHXSFOJKLMLV-LJQANCHMSA-N	543.427	2.611	0	40	KFAB	
CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O	223444538	ZDFFTGNJWWDRCR-OAQYLSRUSA-N	519.620	2.524	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	223460389	FIUPBWLQESSHFJ-LJQANCHMSA-N	522.643	2.781	0	40	KFAB	
CCC(=O)N1CCc2cc(S(=O)(=O)NCCOc3ccc(S(=O)(=O)N4CCCCC4)cc3)ccc21	224422553	GIOXKOQUTYFSEO-UHFFFAOYSA-N	521.661	2.518	0	40	KFAB	
CS(=O)(=O)N[C@@H](CC(=O)N1C[C@@H](C(=O)NCCc2ccccc2)Oc2ccccc21)c1ccc(F)cc1	225943656	KTVISBOWRQISSX-DHLKQENFSA-N	525.602	2.959	0	40	KFAB	
COc1ccc(CN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)[C@H](C)C(=O)NCc2cccnc2)cc1	260717141	ILQIXPYSPIECHQ-OAQYLSRUSA-N	524.643	2.586	0	40	KFAB	
CCOC(=O)CN1C(=O)/C(=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)cc2)C(C(=O)OC(C)C)=C(C)N=3)c2ccccc21	409387964	JTGFRXQCYSKZLA-PIJNJCDPSA-N	589.670	2.865	0	40	KFAB	
COC(=O)COc1cc(Br)c(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc1OC	983038	JGVQQLFJSAZAOJ-LZYBPNLTSA-N	513.366	2.668	0	40	KFAB	
COc1ccc(CCNC(=O)c2ccccc2NC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1OC	13685207	CYMVSMWZZMDWKE-BGYRXZFFSA-N	505.571	2.956	0	40	KFAB	
CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](Cc4ccc(O)cc4)N[C@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)cc1	16033887	HBPDCJCYTCWGJM-IMBSWCNGSA-N	515.497	2.624	0	40	KFAB	
CC[C@@H](SC1=Nc2ccccc2C2=N[C@H](CC(=O)NCc3ccco3)C(=O)N12)C(=O)NCCCOC	20643031	RUBBAQOQMGPOHD-WOJBJXKFSA-N	511.604	2.609	0	40	KFAB	
CC1(C)Cc2cccc(OCC(=O)OCC(=O)N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)c2O1	32910331	XIWZZUGHDLTOPM-UHFFFAOYSA-N	523.007	2.509	0	40	KFAB	
CCCCCN(C(=O)CCC(=O)OCC(=O)N1CCCC[C@@H]1CC)c1c(N)n(CCCC)c(=O)[nH]c1=O	32944979	ZZVCBTLGMFJLGS-IBGZPJMESA-N	521.659	2.557	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccc(C)cc2)cc1	59647448	AIXMAJIHPKJAAC-UHFFFAOYSA-N	559.666	2.859	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@@H](C(=O)NC[C@@H]3CCCO3)c3ccc(F)cc3)n2)cc1OC	100277317	HBHXJMCWVQQFKN-VMODYCNZSA-N	582.633	2.541	0	40	KFAB	
COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)cc1OC	100284300	AAOMFALLFWYTAS-VGSWGCGISA-N	557.604	2.664	0	40	KFAB	
COC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](c3nc(O)c4nnn(Cc5ccccc5Cl)c4n3)C2)cc1	100467230	UDCZJOSAADGWCV-QGZVFWFLSA-N	543.005	2.984	0	40	KFAB	
CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)OCC(=O)N3N=C(c4ccc(C)cc4)C[C@H]3c3ccco3)c2)CC1	103054967	QARFGSILENZRQQ-SANMLTNESA-N	578.647	2.976	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(F)cc1	137351758	PONPUGNQIRMKSU-WLJFKGHSSA-N	512.559	2.963	0	40	KFAB	
CCCC[Sn]1(CCCC)O[C@@H]2[C@H](CO)O[C@H](n3c(Br)c(C(N)=O)c4c(N)ncnc43)[C@@H]2O1	195997389	QSLNHHPPKCRZDT-RLVCAUEDSA-N	619.105	2.591	0	40	KFAB	
COc1cccc(CN(C(=O)CCN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C)C(=O)NC2CCCC2)c1	224039919	DQHMOXFJIOEFEV-SFHVURJKSA-N	513.616	2.706	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	224729628	BHGDOJWSQPLMIF-LJQANCHMSA-N	503.621	2.823	0	40	KFAB	
COc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)Oc3ccc(Cl)cc32)cc1	260886019	CJOSKPAVRLHFBF-HHHXNRCGSA-N	652.147	2.521	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2ccccc2OC)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C)c1	260890605	LENFMYFQNVNOKW-LJQANCHMSA-N	505.637	2.659	0	40	KFAB	
CCCCC/C=C/C/C=C/C=C/C=C\[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)[C@@H](O)CCCC(=O)O	299888366	GWNVDXQDILPJIG-MDQFIFJISA-N	625.785	2.777	0	40	KFAB	
COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1C(=O)N1CCCC1	408693296	NAUITSMZNFGADF-UHFFFAOYSA-N	522.630	2.989	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\Nc3cc(C(=O)O)ccc3C)c(=O)n2[C@@H]1c1ccc(OC)cc1	408874056	XZCUZNLPGNSHOX-VLOXRPPESA-N	507.568	2.835	0	40	KFAB	
COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3OCC(N)=O)C2=O)ccc1Cl	409168121	KIIOVOFRLBWPKB-CAOOACKPSA-N	503.920	2.666	0	40	KFAB	
NC(=O)COc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(I)cc2)C1=O	409327234	ILEHQRDDFJJDRR-CXUHLZMHSA-N	537.335	2.830	0	40	KFAB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(O[C@H](C)C(=O)O)cc3Br)C2=O)o1	409399394	HVVBJJLRFZSDJH-WBERELSBSA-N	523.292	2.782	0	40	KFAB	
CCOC(=O)c1cnn(-c2nc(-n3ncc(C(=O)OCC)c3N)c3c4c(sc3n2)C[C@H](C)CC4)c1N	2253305	PXJKIKRMFKWNLJ-LLVKDONJSA-N	510.580	2.705	0	40	KFAB	
COc1cccc(C(=O)Oc2ccc(C(=O)COC(=O)[C@@H]3CC(=O)N(NC(=O)c4ccccc4)C3)cc2)c1	8927395	MGEUXRCOLUTIQF-OAQYLSRUSA-N	516.506	2.834	0	40	KFAB	
COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CC(=O)Nc3ccc(C(=O)N(C)C)cc3)C2=O)cc1	13163553	FUYLLJXGHOGHAX-UHFFFAOYSA-N	516.554	2.840	0	40	KFAB	
Cn1c(=O)c2c(nc(N3CCN(Cc4ccccc4)CC3)n2CCSc2nc3ccccc3o2)n(C)c1=O	96019763	ZEFJUBZIZAUNJP-UHFFFAOYSA-N	531.642	2.689	0	40	KFAB	
CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)COn2nnc3ccc(S(=O)(=O)N(C)C)cc32)c1	103052215	VTBIYILYAUJWCZ-UHFFFAOYSA-N	593.087	2.618	0	40	KFAB	
CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)cc1	222966057	UQGLMFOVVZYNSF-UHFFFAOYSA-N	509.635	2.930	0	40	KFAB	
CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	224059201	HOLAEIHBMHMZJR-QHCPKHFHSA-N	531.675	2.990	0	40	KFAB	
COc1ccccc1N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)S(=O)(=O)c1ccccc1	224283952	QYDSBBFGPKYNAP-UHFFFAOYSA-N	573.693	2.870	0	40	KFAB	
CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	225689950	LJMUTZOZIZUVAL-SFHVURJKSA-N	510.607	2.767	0	40	KFAB	
COc1cccc(NC(=O)COc2ccc(/C=c3\sc4nc(-c5ccncc5)nn4c3=O)cc2OC)c1	256055728	QXQZJZZWDXIWKL-XKZIYDEJSA-N	515.551	2.795	0	40	KFAB	
Cc1ccccc1CN(C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C	260875556	GPVBPUNEIDZUEA-LJQANCHMSA-N	503.621	2.679	0	40	KFAB	
Cc1c(C(=O)N2CCO[C@@]3(CCCCc4ccccc4OCCNC3=O)C2)nnn1-c1ccccc1F	643555915	FCVPNQJKEGIYLB-MHZLTWQESA-N	507.566	2.848	0	40	KFAB	
Cc1c(Cl)ccc2c1NC(=O)[C@]21N[C@@H](CCC(N)=O)[C@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@H]21	2338518	PAXDIXLXGGVJMI-XITLKHQFSA-N	531.794	2.601	0	40	KFAB	
CCC[C@H](C(=O)NCCC(C)C)N(C[C@@H]1CCCO1)C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1	6501453	ZWKCUODCIFHCKG-LEWJYISDSA-N	516.643	2.696	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@@H](C(=O)NC[C@@H]3CCCO3)c3ccco3)n2)cc1	7060893	UJWZFXGDUXASTI-GBXCKJPGSA-N	520.546	2.600	0	40	KFAB	
COc1ccc(CCNC(=O)Cn2c(=O)n(-c3ccc(OC)c(OC)c3)c(=O)c3ccccc32)cc1OC	8593396	LJNMBOYSGXPVHM-UHFFFAOYSA-N	519.554	2.546	0	40	KFAB	
CC1(C)[C@H](C(=O)N(Cc2ccco2)C2(C(=O)NC3CCCCC3)CCCCC2)N2C(=O)C[C@H]2S1(=O)=O	8876517	XSASMXYTKLTUCW-YADHBBJMSA-N	519.664	2.894	0	40	KFAB	biogenic
CCCCNC(=O)CSc1nc2ccc(Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2s1	17527482	MYWJLSHACYKISP-UHFFFAOYSA-N	544.707	2.907	0	40	KFAB	
Cc1cc(C)c(OCC(=O)OCC(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c(C)c1	62577398	WREZBUMDPXRZQT-UHFFFAOYSA-N	522.602	2.704	0	40	KFAB	
CC(=O)O[C@H]1C[C@@](C)(O)[C@@H]2CC=C(C)[C@H]2[C@H]2OC(=O)[C@]3(C[C@@]45C=C[C@]3(C)[C@@H]4[C@H]3OC(=O)[C@@H](CN4CCOCC4)[C@@H]3CC[C@@]5(C)O)[C@H]12	70697687	CBJPQVLGEQCRAI-ADKVWDAQSA-N	639.786	2.800	0	40	KFAB	
O=C(CN(Cc1cccs1)C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)NCc1ccccc1	100295018	KLJLJMXCMQRWBP-BHVANESWSA-N	527.624	2.509	0	40	KFAB	
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3nc(O)c4nnn(Cc5ccc(F)cc5)c4n3)CC2)cc1	100446215	BXWRSRANDJXIOS-UHFFFAOYSA-N	525.566	2.641	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O	222651621	LSEJAEBCXZXFIR-CQSZACIVSA-N	502.420	2.931	0	40	KFAB	
CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NCCCOCC)cc1	222718043	DJKRFLIPBAHGTO-OAQYLSRUSA-N	503.665	2.878	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)[C@@H](C)C(=O)NC(C)(C)C)cc1	223081433	GQRIHWIWMODMDQ-SFHVURJKSA-N	522.643	2.779	0	40	KFAB	
CCOCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(C)S(C)(=O)=O	223116805	FLQYQZCRAACKGA-HSZRJFAPSA-N	524.083	2.714	0	40	KFAB	
CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	223181190	ZJOAKSWVWXHIGW-HXUWFJFHSA-N	524.039	2.821	0	40	KFAB	
CN(CC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccco1)S(C)(=O)=O	223186835	PBJWTJPNYAOZJV-QHCPKHFHSA-N	501.580	2.566	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O	224003041	OOMVOUVLKMPIBO-IBGZPJMESA-N	505.637	2.803	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C)c1	224433392	CBPLIPBWNPXKLE-IBGZPJMESA-N	535.663	2.668	0	40	KFAB	
CCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O	225376557	FVXZWHOHDFHSTN-OAQYLSRUSA-N	505.637	2.803	0	40	KFAB	
O=C(Nc1nnc(S(=O)(=O)Nc2ccccc2C(=O)N2CCOCC2)s1)c1ccccc1Cl	225860564	SHNXEVJKNZJTAC-UHFFFAOYSA-N	507.981	2.717	0	40	KFAB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N2C[C@@H](C(=O)NCCc3ccccc3)Oc3ccccc32)cc1C	226045089	SPLXUMSGBLYNPM-SANMLTNESA-N	537.638	2.777	0	40	KFAB	
COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)N([C@H](C(=O)O)C(C)C)C(=O)[C@H]54)[C@H]23)ccc1O	245241435	DNCGAAGWWHHLHQ-ZNWUYWCSSA-N	530.624	2.733	0	40	KFAB	
COc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c(OC)c1	260921273	TWPSHZGHNYWFNC-HXUWFJFHSA-N	519.664	2.968	0	40	KFAB	
COC(=O)c1cc(NC(=O)c2ccc(OC)c(S(=O)(=O)NCc3ccccc3)c2)cc(C(=O)OC)c1	408677180	QKGUIJLQFMXBRA-UHFFFAOYSA-N	512.540	2.999	0	40	KFAB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCC(=O)O)c(I)c4)c(=O)n32)cc1OCC	408934196	LQCGSRLHPYRISV-QJWUKVPRSA-N	664.474	2.884	0	40	KFAB	
O=C(C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1CN(Cc1ccncc1)CC2=O)N1CCOCC1	514287443	CKFIEGLNALTFMX-QLOOJWSFSA-N	504.631	2.746	0	40	KFAB	
CC(C)C[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCOc2ccc(Cl)cc2)CCC(=O)N2CCC[C@H]2C(=O)N(C)CC(=O)N1	643571938	SEYYMFPQCQAJEJ-WIRXVTQYSA-N	670.207	2.787	0	40	KFAB	
COc1cc([C@@H]2c3cc4c(cc3[C@H](O[C@H]3O[C@H]5CO[C@H](c6ccccc6)O[C@@H]5[C@@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC	4792533	SBPPWJIDARICBS-YXCFBHILSA-N	664.660	2.994	0	40	KFAB	
CCOC(=O)C1=c2s/c(=C/c3cccc(OC)c3)c(=O)n2C(N)=C(S(=O)(=O)c2ccccc2)[C@H]1c1cccc(OC)c1	8444441	DBFIHASHGNEZHJ-NJXRFNICSA-N	604.706	2.826	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc2c(c1)OCO2	14396538	OYEYQRQRTBDFGH-UHFFFAOYSA-N	523.633	2.775	0	40	KFAB	
CCc1ccc(O[C@H](C)C(=O)NCc2nnc(SCC(=O)Nc3cccc(C(=O)OC)c3)n2C)cc1	147937835	OSYKCERDAMFCIP-MRXNPFEDSA-N	511.604	2.979	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)C2)cc1C	222591573	JRKCOBGMPNOATO-LJQANCHMSA-N	523.677	2.992	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	222904731	ZPOKVIATERSKOD-INIZCTEOSA-N	512.028	2.677	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	223123196	JUHQZELQBJFMLK-LJQANCHMSA-N	503.621	2.823	0	40	KFAB	
Cc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	224205220	XPBMGKKACCOACS-UHFFFAOYSA-N	545.683	2.944	0	40	KFAB	
O=S(=O)(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(Br)cc1	224378250	QZSNDSKOQOGVRB-UHFFFAOYSA-N	503.440	2.981	0	40	KFAB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-n3cnnc3)c2C)cc1NS(C)(=O)=O	225474701	NSIKRVPDCNUHKH-DHIUTWEWSA-N	538.659	2.960	0	40	KFAB	
C[C@H]1O[C@H](O[C@@H]2CC[C@]3(C)[C@@H]4CC=C5[C@@H]6[C@H](C)[C@H](C)CC[C@]6(C(=O)O)CC[C@@]5(C(=O)O)[C@]4(C)CC[C@H]3C2(C)C)[C@@H](O)[C@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)[C@H]1O	253500596	BZXXSUZFEIFGEX-KTAGSWSXSA-N	794.976	2.830	0	40	KFAB	biogenic,in-vitro
CC[C@@H](C(=O)N[C@H](C)CC)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	261001265	RRJLLUBPVGDDNW-KNQAVFIVSA-N	517.648	2.946	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)cc1Cl	408609455	SZXIBQIHSCKALC-LBPRGKRZSA-N	500.957	2.848	0	40	KFAB	
CCOC(=O)N1CCN(C(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2cc(C)ccc2OC)CC1	10300126	SLJBISYSZXVDER-UHFFFAOYSA-N	505.593	2.508	0	40	KFAB	
COc1ccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1	13565649	OCDADAIVTBVUCL-JOCHJYFZSA-N	527.565	2.731	0	40	KFAB	
O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccccc2F)CC1)Nc1cc(Cl)cc(Cl)c1	19961943	FDOGHJFFMGSVHK-NRFANRHFSA-N	522.408	2.610	0	40	KFAB	
CCOC(=O)C1=C(CN(Cc2ccc3c(c2)OCO3)C(=O)c2cnccn2)NC(=O)N[C@H]1c1ccc(OC)cc1	98008911	SHULEPLHCFCQOO-VWLOTQADSA-N	545.552	2.728	0	40	KFAB	
CCCn1cc(C(=O)n2nc(C)cc2C)c(S(=O)(=O)N2CCN(c3ccccc3OCC)CC2)n1	98211129	BKGXIIQNZSVIIH-UHFFFAOYSA-N	500.625	2.705	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC(c3nc(O)c4nnn(Cc5c(F)cccc5Cl)c4n3)CC2)cc1	100471783	BMCQJFKLTZQFNQ-UHFFFAOYSA-N	610.093	2.586	0	40	KFAB	
Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3NS(C)(=O)=O)cc2nc1N1CC[C@@H](N)C1	147519584	GOFXWTVKPWJNGD-UTKZUKDTSA-N	532.070	2.967	0	40	KFAB	
COc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)NC(C)C)ccc2OC)cc1I	216269911	LNUSKDAYFKIPCN-UHFFFAOYSA-N	540.401	2.796	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O	222804355	IJIGUIDGKOQQSX-INIZCTEOSA-N	526.453	2.695	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	223172168	KWJUMAQHVQZHLN-CVEARBPZSA-N	536.448	2.926	0	40	KFAB	
COc1ccc(-c2noc(CN(C)S(=O)(=O)c3nnc(NC(=O)c4ccccc4C)s3)n2)cc1	223205723	RHTZFCUWMNWOCB-UHFFFAOYSA-N	500.562	2.978	0	40	KFAB	
CC(C)(C)c1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)cc1	224304770	VGTAPOCPRRAMNF-UHFFFAOYSA-N	537.704	2.730	0	40	KFAB	
COc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc(Br)cc2)C1	408656161	MRGMXNOVFGYNMG-CYBMUJFWSA-N	524.755	2.786	0	40	KFAB	
NS(=O)(=O)c1ccc(NC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1	408937048	MERXOICOFMJNQJ-UHFFFAOYSA-N	538.445	2.926	0	40	KFAB	
O=C(CN1C(=O)N/C(=C\c2ccc(OCC(=O)N3CCOCC3)c(Br)c2)C1=O)Nc1ccc(Cl)cc1	409375056	DVODVEAICUKDEY-UNOMPAQXSA-N	577.819	2.872	0	40	KFAB	
COc1cc(CN2CCOC[C@@](O)(COc3ccc(F)cc3)C2)ccc1OCCCN1CCCC1=O	585282145	YIGCTOFODTXSTG-HHHXNRCGSA-N	502.583	2.868	0	40	KFAB	
CC(C)C[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCc2cccc(CN3CCOCC3)c2)CCC(=O)N[C@@H](c2ccccc2)C(=O)N(C)CC(=O)N1	643571454	AQFKPAIUMWKQAK-QRBHCBQLSA-N	740.902	2.953	0	40	KFAB	
Cc1nc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)O)cc(C2CCNCC2)n1	2037879867	UZPZAEZCNOXYJA-DQEYMECFSA-N	509.651	2.528	0	40	KFAB	
Cc1cccc(C(=O)N2CCN(C(=O)[C@H](NC(=O)c3ccccc3)S(=O)(=O)c3ccccc3)CC2)c1	9764140	MWYVACWUBCXNSZ-RUZDIDTESA-N	505.596	2.509	0	40	KFAB	
CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1	15152891	PZKPENWSOUIUIJ-CQSZACIVSA-N	509.968	2.503	0	40	KFAB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)Cc2ccccc2)c(C)c1	20030758	UFKATFLKIRSXHP-UHFFFAOYSA-N	515.657	2.767	0	40	KFAB	
COCCn1nnnc1[C@H](c1cc2c(C)ccc(C)c2[nH]c1=O)N1CCN(c2ccccc2OC)CC1	20083366	SGONJDAPUVRVLW-VWLOTQADSA-N	503.607	2.698	0	40	KFAB	
COc1ccccc1C(=O)COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1	23080181	CYBBSHAARFRZOJ-UHFFFAOYSA-N	502.589	2.746	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5C)sc4n3)CC2)cc1	41077579	UWQBGNFWGGYZOS-UHFFFAOYSA-N	511.629	2.642	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1	66147997	ORBWOSGHCKXGIO-OALUTQOASA-N	551.687	2.920	0	40	KFAB	
Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)cc1S(=O)(=O)N1CCOCC1	66166667	RRWIIAPDVJFQJW-OALUTQOASA-N	535.688	2.935	0	40	KFAB	
O=C(Nc1ccccc1C(=O)N1CCOCC1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1	113948938	SDISJYUZEGUJBL-UHFFFAOYSA-N	506.024	2.993	0	40	KFAB	
COc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Br)cc3)CC2)cc1S(=O)(=O)N1CCOCC1	215957745	UFEYITOXDMXFMA-UHFFFAOYSA-N	616.556	2.659	0	40	KFAB	
CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	222819132	UYTLAAXZFMIDKO-QFIPXVFZSA-N	535.663	2.810	0	40	KFAB	
COc1ccc(C(=O)N2C[C@H](C(=O)NCc3ccccc3)Oc3ccccc32)cc1S(=O)(=O)N(C)C	222910662	KYEOYSWSFOQLTL-HSZRJFAPSA-N	509.584	2.670	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O	224044561	PERJNESTRDHMPA-LJQANCHMSA-N	505.637	2.803	0	40	KFAB	
Cc1ccc(N(CCCC(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)cc1C	224304687	IZZVIRVLWNNETP-UHFFFAOYSA-N	537.704	2.829	0	40	KFAB	
COc1ccc(OC)c(N(CC(=O)NC[C@@H]2COc3ccccc3O2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	225248714	UARDAQJSCJRWBL-LJQANCHMSA-N	558.609	2.873	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	225433966	JMFRSNBCYXNINQ-VQTJNVASSA-N	519.664	2.844	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	225449024	BIKNGNURCDIDKZ-VQTJNVASSA-N	506.644	2.813	0	40	KFAB	
CC(=O)O[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	245253865	HWKJSYYYURVNQU-DXJNJSHLSA-N	822.986	2.789	0	40	KFAB	in-man
COc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc(I)c1OCC(=O)O	409014552	QCMVCOBAQPZDCY-VIZOYTHASA-N	526.258	2.995	0	40	KFAB	
CCCOc1ccccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(C(=O)O)cc3)c(=O)n21	409020029	YRJDCACCNIHWGH-GOOXQAOHSA-N	536.606	2.912	0	40	KFAB	
CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(Br)c1OCC(=O)O	409214075	XSGKXWMFTNTFAD-LZYBPNLTSA-N	536.310	2.982	0	40	KFAB	
Cc1cc(OC[C@@]2(CC(=O)N3CCN(C)CC3)CN(C(=O)CC3CCN(C)CC3)CCO2)ccc1Cl	585286786	QTLWJVNLCNHBGW-HHHXNRCGSA-N	521.102	2.521	0	40	KFAB	
CC(C)[C@H]1NC(=O)C[C@@H](C(=O)NCc2ccc(CN3CCCC3)cc2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC1=O	643575378	DRNLOYWVDFSJPN-VLSLJKOQSA-N	710.876	2.854	0	40	KFAB	
O=c1/c(=C/c2ccc(I)o2)sc2n1CN(c1cccc(Br)c1)CN=2	2339814	XMRFPGRJRZHZBH-QPEQYQDCSA-N	516.158	2.754	0	40	KFAB	
COc1ccc(Br)cc1[C@@H]1Nc2cc(C(F)(F)F)c(S(N)(=O)=O)cc2S(=O)(=O)N1	3225899	GKOAFYRWXGFZNM-CQSZACIVSA-N	516.317	2.527	0	40	KFAB	
CCOC(=O)c1cccc(NC(=O)O[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3n2nnnc2SCc2ccco2)c1	4259322	VMMMODQBIHXFGW-WJFTUGDTSA-N	501.521	2.691	0	40	KFAB	biogenic,in-vitro
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@@H](C)[C@@]4(O)CC5(CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)OCC(C)(C)CO5	4706348	ZLQSMGWGWLVEOS-WAESDTQCSA-N	522.679	2.993	0	40	KFAB	
COc1ccc(NC(=O)[C@@H](c2csnn2)N(Cc2cccnc2)C(=O)CN2C(=O)c3ccccc3C2=O)cc1	8695974	RTQHXZIAYZCUOQ-XMMPIXPASA-N	542.577	2.947	0	40	KFAB	
COC(=O)C1=C(C(=O)c2ccc(Br)cc2)[C@@H](c2cc(OC)ccc2OC)n2nnnc2N1	10232013	XMSNRXOXYUXJRN-GOSISDBHSA-N	500.309	2.778	0	40	KFAB	
O=C(COC(=O)c1ccccc1Cl)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1	12563111	QASFGLLRGDGJES-UHFFFAOYSA-N	507.996	2.757	0	40	KFAB	
CCc1ccc(-c2n[nH]c(SCC(=O)N(CC)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)n2)cc1	32957590	OELNMYRTSLRORH-UHFFFAOYSA-N	505.604	2.660	0	40	KFAB	
CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O	38140293	WWINRDXLWQQKMF-GMQQYTKMSA-N	570.646	2.817	0	40	KFAB	biogenic
C/C=C(\C)C[C@H](/C=C(\C)[C@@H](O)[C@@H](C)/C=C(\C)[C@H](O)[C@@H](C)/C=C/[C@H](O)C/C=C/[C@H](O)[C@H](O)C(=O)O)C(=O)O	38143650	YKAQENKKQWMYFZ-ZLNLNQTDSA-N	524.651	2.600	0	40	KFAB	biogenic,in-vitro
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)C2)cc1Cl	59838611	REGBBRLCTHRSMU-LJQANCHMSA-N	556.106	2.850	0	40	KFAB	
COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)C2)c1	59838705	NBCAXCVUHNVDRF-NRFANRHFSA-N	565.714	2.596	0	40	KFAB	
COc1cc(/C=C2/SC(=O)N(CCNC(=O)[C@H](C)N3C(=O)c4ccccc4C3=O)C2=O)cc(OC)c1OC	97980228	AGULTNKJYFRGNO-ZXOFLVKFSA-N	539.566	2.550	0	40	KFAB	
CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	222486982	NHAQUGIRIZGRRF-QFIPXVFZSA-N	517.648	2.864	0	40	KFAB	
CC[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O	224256354	OXTWWZGSNWGCLN-HXUWFJFHSA-N	552.502	2.984	0	40	KFAB	
COC(=O)CSc1nnc(NC(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccccc2)s1	225108099	LYYICTSYFAYMPD-UHFFFAOYSA-N	508.603	2.646	0	40	KFAB	
CCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O	225416816	HRTFRFCVNNVSLF-JOCHJYFZSA-N	515.632	2.954	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225493746	NTKBXLCGRMFNMU-QGZVFWFLSA-N	568.490	2.930	0	40	KFAB	
COC(=O)c1cc(NC(=O)C[C@@H]2C(=O)N[C@@H]3CCCC[C@H]3N2C(=O)NC2CCCCC2)cc(C(=O)OC)c1	250370191	NYAALBCKLNZTFN-YPAWHYETSA-N	528.606	2.742	0	40	KFAB	
COC(=O)COc1c(Br)cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc1Br	409137224	UWSAIXFHMBCSLB-ONNFQVAWSA-N	509.128	2.884	0	40	KFAB	
Cc1cccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3cccc(C(=O)N4CCOCC4)c3)n2C)c1	409342744	GRTCZLFZCDAMHC-GOSISDBHSA-N	522.631	2.818	0	40	KFAB	
Cc1cc(OC[C@@]2(CC(=O)N3CCOCC3)CN(C(=O)CCc3cn(C)nc3C)CCO2)ccc1Cl	585287500	YGWSGVLHPIDACZ-AREMUKBSSA-N	519.042	2.548	0	40	KFAB	
CC(C)=CCC[C@]1(C)Oc2cc3c(c4c2[C@@H]2[C@H](O4)[C@](O)(CO)CC[C@H]21)CN([C@H](CCC(=O)O)C(=O)O)C3=O	1772591713	LYIIXCDZJCVBSC-RUZVEFHSSA-N	529.586	2.836	0	40	KFAB	
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@H](C(N)=O)[C@@H](C)O	4016587	MXAKCRVLKDKVLY-ZFILCQGISA-N	584.714	2.583	0	40	KFAB	
CCc1nnc(NS(=O)(=O)c2ccc(NC(=S)N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)cc2)s1	15996675	GPHLENMXGCVMEY-CABCVRRESA-N	516.674	2.879	0	40	KFAB	biogenic
CCCCOc1ccc(CC2(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)C(=O)N(C)C(=O)N(C)C2=O)cc1	19703068	VRNXGQMGKDFBPY-YADHBBJMSA-N	520.630	2.726	0	40	KFAB	biogenic
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(Cl)cc3)CC2)N[C@H]1c1ccc(OC)cc1OC	19817894	MCLFVRKXEOBTIZ-VXKWHMMOSA-N	500.983	2.886	0	40	KFAB	
C[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)N(C)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)c2C1	24748271	UKUZGQKWOZXYSY-QGZVFWFLSA-N	527.581	2.660	0	40	KFAB	
CCOC(=O)c1sc2nc(CN3CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)[nH]c(=O)c2c1C	25719576	RNRHZWOMZCZTPI-UHFFFAOYSA-N	504.634	2.593	0	40	KFAB	
CCOc1ccc(OCCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1	32910351	NWGCXCFERVIQPN-UHFFFAOYSA-N	504.605	2.547	0	40	KFAB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(OC)c1	98046154	KUZUDDCJAJFYCO-RUZDIDTESA-N	549.584	2.702	0	40	KFAB	
COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1	103020229	FOLGRYYMPSGOMC-HSZRJFAPSA-N	529.640	2.700	0	40	KFAB	
CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	223912059	NESQRDUIFQYQQV-HNNXBMFYSA-N	522.421	2.537	0	40	KFAB	
CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	224367836	WWXBKDMRWRAWLS-HXUWFJFHSA-N	509.600	2.552	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O	224654521	SMCVFEDSOZEGJD-LJQANCHMSA-N	503.621	2.905	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	225180183	SQPLLQVZYPQYIE-GOSISDBHSA-N	523.627	2.943	0	40	KFAB	
CCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O	225378006	SZXVOYZFJGHTER-DEOSSOPVSA-N	517.648	2.997	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NC(C)C)c1ccc2c(c1)OCO2	260761206	SQVZVQPFXXCWJO-QGZVFWFLSA-N	507.584	2.652	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	260991377	QDEIUSBTTZHDLZ-MOPGFXCFSA-N	533.647	2.564	0	40	KFAB	
CCOC(=O)COc1c(Br)cc(C(c2c(O)n(C)c(=S)n(C)c2=O)c2c(O)n(C)c(=S)n(C)c2=O)cc1OCC	409075952	ZHLJZZNYLVYVIM-UHFFFAOYSA-N	657.565	2.914	0	40	KFAB	
Cc1cc(OC[C@]2(CC(=O)N3CCN(C)CC3)CN(C(=O)CCc3nc(C(C)C)no3)CCO2)ccc1Cl	585285705	MDNPLWQGBJHGQN-MHZLTWQESA-N	548.084	2.928	0	40	KFAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCOc2ccc(C)cc2C)CC(=O)N[C@@H](CC(C)C)C1=O	643579081	PCFUSCMBVRNOQN-DQEYMECFSA-N	566.699	2.759	0	40	KFAB	
COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)NCCCN4CCN(c5ccccc5F)CC4)ccc3c2=O)cc1	4766454	YYEZDGOENGDSGQ-UHFFFAOYSA-N	545.615	2.828	0	40	KFAB	
CC(C)N(Cc1ccccc1)C(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	12881450	VXLGCJVBUWXUGD-UHFFFAOYSA-N	516.616	2.839	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCCN(c3ccc(C)c(C)c3)S(C)(=O)=O)CC2)cc1	13613516	DCOKSQCFPZWNHW-UHFFFAOYSA-N	507.678	2.691	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cnc5ccccc5c4=O)cc3)CC2)cc1	32717019	RZRJWMUYODWLFN-UHFFFAOYSA-N	504.568	2.541	0	40	KFAB	
COc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2)cc1S(=O)(=O)N1CCOCC1	60018504	DABUFWCBWJCVSS-UHFFFAOYSA-N	572.105	2.550	0	40	KFAB	
CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@@H](C(=O)O)c1ccccc1	70705419	HFWGWXQAJGIMAV-QNMIOERPSA-N	556.619	2.947	0	40	KFAB	biogenic
NS(=O)(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCC2)c2cccs2)cc1	100285732	HDCQKWLGBPFXKJ-XMMPIXPASA-N	538.655	2.974	0	40	KFAB	
CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)OCC(=O)N3N=C(c4ccc(C)cc4)C[C@@H]3c3ccco3)c2)CC1	103054970	QARFGSILENZRQQ-AREMUKBSSA-N	578.647	2.976	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O	223982003	DHVQSSUFKOBTJW-INIZCTEOSA-N	512.028	2.677	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NCC(C)C)c1ccc2c(c1)OCO2	224098141	SJMUQBAAPFFCCC-IBGZPJMESA-N	503.621	2.761	0	40	KFAB	
COc1ccc(N(CCCC(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)cc1	224412189	GVYPHMYLMXBDML-UHFFFAOYSA-N	553.703	2.611	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	224986586	YDMDKQBPLLRWNV-RTBURBONSA-N	505.637	2.802	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(-c4nc(C)cc(=O)[nH]4)c3)CC2)cc1OC	226046600	JNDBPOYXRVNSGU-UHFFFAOYSA-N	512.588	2.802	0	40	KFAB	
COC(=O)[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c2ccccc2O1	226073410	BKODNUZNDAIOOL-HXUWFJFHSA-N	523.405	2.817	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cc1	408558552	JRDMEJCPUSNVME-NRFANRHFSA-N	515.632	2.559	0	40	KFAB	
O=C([C@H](CCCCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)N1CCCCCC1	408681024	IUGOSLKBUXVTBK-CPZPEYDRSA-N	523.674	2.990	0	40	KFAB	
CC(=O)Oc1ccc(C(=O)COC(=O)[C@@H](CCS(C)(=O)=O)N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1	409178748	OGBRDWMHOJJAAM-LJQANCHMSA-N	556.376	2.744	0	40	KFAB	
CC(C)[C@H]1NC(=O)[C@@H]2CCCN2C(=O)CC[C@@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)NC(=O)c2ccccc2OC[C@H](C)NC1=O	643568948	GZWICONQMQSUCZ-ARFQCTDUSA-N	693.817	2.598	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OC)c(OCCn3ccnc3C)c2)C[C@](O)(COc2ccc(F)cc2)C1	2037931616	BYNJPYQKSRCLMS-GDLZYMKVSA-N	556.635	2.519	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1OC	997663	TZLGWYKNUITBDC-JUTHHCEFSA-N	510.568	2.530	0	40	KFAB	
CC[C@H](C)OCCOCCOC(=O)[C@H](C)OC(=O)OCCOCCOC(=O)O[C@H](C)C(=O)OCCOCCO[C@H](C)CC	8602518	XJGWOYZOZDTHEY-WAPCQROESA-N	626.693	2.836	0	40	KFAB	
O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc3c(c2)Cc2cc(S(=O)(=O)N4CCN(C(=O)c5ccco5)CC4)ccc2-3)CC1	29747780	JNQIDIHYXFLJMB-UHFFFAOYSA-N	650.735	2.737	0	40	KFAB	
COC(=O)C[C@@](O)(CCCC(C)(C)O)C(=O)O[C@@H]1C(OC)=C[C@]23CCCN2CCc2cc4c(cc2[C@@H]13)OCO4	43450326	HYFHYPWGAURHIV-BXCBQBLLSA-N	545.629	2.581	0	40	KFAB	biogenic,fda
Cc1ccc(CN(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1	59837851	XDTNKJDCKHHBRM-UHFFFAOYSA-N	566.499	2.912	0	40	KFAB	
CCOc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1	102253732	YKJIMZBEWPOENK-HSZRJFAPSA-N	547.578	2.582	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(=O)c(-c4cscn4)c(C)oc3c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	170623043	QLPBVUOEXHYSIY-KOMOQGMXSA-N	589.575	2.687	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	222904972	KEWUSTJIIXSIRY-MRXNPFEDSA-N	512.028	2.677	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	223742242	KZLDVOVQCPOVGS-MRXNPFEDSA-N	512.028	2.677	0	40	KFAB	
CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C	225409921	ZYYZCQKXWZRSSQ-QHCPKHFHSA-N	504.653	2.642	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O	225453695	MGHYFIDEJWKFLX-KRWDZBQOSA-N	510.454	2.995	0	40	KFAB	
C[C@@]1(O)CC2(CCN(C(=O)CCCn3c(C(F)(F)F)nc4ccccc43)CC2)OC[C@H]1n1cnc2c(N)nc(N)nc21	257241688	HZDQIZBDITZDAM-IQGLISFBSA-N	587.607	2.913	0	40	KFAB	
O=C(CCc1ccccc1)N1CCCCC2(CCN(Cc3ccccn3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1	643580880	XATKVRTWYGKRIU-RRPNLBNLSA-N	523.674	2.964	0	40	KFAB	
COc1ccc([C@@H]2C(c3ccc(S(=O)(=O)N(C)C)cc3)=C(O)C(=O)N2CCCN2CCOCC2)cc1	1105821	HITLVGXMYNQBMA-XMMPIXPASA-N	515.632	2.520	0	40	KFAB	
CCOc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NCCOC)c1ccc2ncccc2c1	6134418	FWMUIGAATGYDMC-QHCPKHFHSA-N	548.625	2.922	0	40	KFAB	
COc1ccc([C@H](C(=O)NC(C)(C)C)N(C[C@@H]2CCCO2)C(=O)Cn2nnc(-c3ccc(C)o3)n2)cc1	12477754	KYXFKGKCNYEYIQ-NZQKXSOJSA-N	510.595	2.914	0	40	KFAB	
COc1ccc(CNC(=O)COC(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)cc1	13096852	BYEGVAVOJKVDQV-UHFFFAOYSA-N	504.586	2.820	0	40	KFAB	
C[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O	20455409	CBOBWLBOBDROLG-CQSZACIVSA-N	509.997	2.724	0	40	KFAB	
CS(=O)(=O)c1ccc(CN2CCC[C@H]2c2nc(-c3ccc(N4CCC(C(N)=O)CC4)nc3)no2)cc1	35425367	SQPYYKFWVJULEK-NRFANRHFSA-N	510.620	2.574	0	40	KFAB	biogenic,in-vitro
CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1	59607473	ZSVOKYQZHMVRIC-GDLZYMKVSA-N	597.716	2.926	0	40	KFAB	
O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc(F)c(Cl)c1	67890422	WRKXIINUNQXBTI-CLAROIROSA-N	531.934	2.539	0	40	KFAB	biogenic,in-vitro
COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N([C@@H](C)C(=O)N[C@@H](CCSC)C(=O)NC2CCCC2)C(=O)[C@]31C	70701198	DNKFVPBTBZDZNY-LEOFLALKSA-N	555.701	2.897	0	40	KFAB	biogenic
CC[C@H](CCNC(=S)Nc1cccc(S(=O)(=O)N(C)C)c1)NC(=S)Nc1cccc(S(=O)(=O)N(C)C)c1	97981366	JOUYGPVQPZSGJN-QGZVFWFLSA-N	586.831	2.629	0	40	KFAB	
COc1ccc(OC)c(N(CC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)S(=O)(=O)c2ccccc2)c1	100087543	TVLATCJTMGQRAU-UHFFFAOYSA-N	573.693	2.741	0	40	KFAB	
COc1cc(C[C@@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3cccc4ccccc34)CC2)cc(OC)c1	100472157	MDPGIJWDEBIBFU-AREMUKBSSA-N	539.654	2.874	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	222876398	KVDVJCPQIKBKCM-SANMLTNESA-N	556.660	2.833	0	40	KFAB	
COC(=O)CSc1nnc(NC(=O)CN(c2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)s1	223298455	BCWVOOWISMSZNR-UHFFFAOYSA-N	522.630	2.787	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O	223993496	ZQIQTYGYWOMKRB-GOSISDBHSA-N	519.620	2.524	0	40	KFAB	
COc1ccc(S(=O)(=O)NCc2ccc(CN3CCOCC3)cc2)cc1I	224558420	LXPWNLOKTUBJAA-UHFFFAOYSA-N	502.374	2.611	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2cccc(C(C)=O)c2)S(C)(=O)=O)[C@H](C)C(=O)NC(C)C)c1	260774446	XHRJTJARXYJCDI-GOSISDBHSA-N	503.621	2.606	0	40	KFAB	
COc1ccc(OC)c(N(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)S(=O)(=O)c2ccccc2)c1	409023098	JVHGSYNMWGHICZ-UHFFFAOYSA-N	553.637	2.972	0	40	KFAB	
COCC(=O)N1CCN(C[C@]2(O)CC[C@@H](c3ccccc3)CC2)C[C@](O)(COc2cc(F)cc(F)c2)C1	585287232	LGBQLYUGRYWQIG-KKVCJECGSA-N	518.601	2.954	0	40	KFAB	
O=c1n(CO)c2c(Br)c(Br)c(Br)c(Br)c2n1CO	3173900	RQUDSLCRJLIZIN-UHFFFAOYSA-N	509.774	2.753	0	40	KFAB	
N[C@H](CCC(=O)N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NCC(=O)O)C(=O)O	5067027	WLSQFRDQFMRSMZ-RPWUZVMVSA-N	549.649	2.589	0	40	KFAB	
COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(=O)nc[nH]c43)[C@@H](O)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1	6239726	PQXVLEMIGAJLIN-JVYBIVSJSA-N	570.602	2.765	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	8765598	DQXUTWTXGXUFON-LYRGBEMXSA-N	524.595	2.833	0	40	KFAB	
Cc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCC3)C3CCN(Cc4ccccc4)CC3)n2)o1	12480888	QXWVLBWBMTYHAQ-UHFFFAOYSA-N	505.623	2.794	0	40	KFAB	
CCOC(=O)c1cc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccccc3OC)C2)cc(C(=O)OCC)c1	12529011	PSVAJSYEWJGVKQ-SFHVURJKSA-N	512.515	2.583	0	40	KFAB	
COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(C4CCCCC4)CC3)cc2c1	20080009	QTDKNXLLQAMTBT-RDGATRHJSA-N	507.639	2.742	0	40	KFAB	
COC(=O)c1ccc2c(=O)n(CCN3CCOCC3)c(SCC(=O)Nc3ccccc3Cl)nc2c1	20643698	GGCWHDAJVIKECB-UHFFFAOYSA-N	517.007	2.900	0	40	KFAB	
C[C@@H]1CN(S(=O)(=O)c2ccc(I)cc2)CCN1S(=O)(=O)c1ccc(I)cc1	33355257	LRJDLQRVSDKMMU-CYBMUJFWSA-N	632.283	2.980	0	40	KFAB	
COC(=O)C1=C(C(=O)OC)SC2(S1)C(C(=O)OC)=C(C(=O)OC)SC1=C2c2cccc(OC)c2N(C(=O)CN2C(=O)CCC2=O)C1(C)C	98048802	AQFSTZWCFIWEMA-UHFFFAOYSA-N	718.784	2.761	0	40	KFAB	
CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O	222828539	QZUFFPQXWXDVHI-DEOSSOPVSA-N	517.648	2.996	0	40	KFAB	
CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	222834130	GRFBYBZEQVWGQQ-JOCHJYFZSA-N	533.647	2.912	0	40	KFAB	
CS(=O)(=O)N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCCCO)c1ccccc1)Cc1ccccc1	223441864	FALJMVZQBKJBRO-HHHXNRCGSA-N	541.645	2.856	0	40	KFAB	
COc1ccc(OC)c([C@H](C)NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)c1	223953356	JMYBLHTVVVMKFV-ZDUSSCGKSA-N	518.373	2.952	0	40	KFAB	
CC[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O	224256632	PFYVCDBXGRDOCO-OAQYLSRUSA-N	532.084	2.639	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)NCC(C)C)c1ccc2c(c1)OCCO2	224504814	ALYGLHYYZUCEJN-NRFANRHFSA-N	531.675	2.846	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1ccccc1F)[C@@H](C)C(=O)NC(C)C)c1ccc2c(c1)OCCO2	224664073	RINFRBAHBOSFDT-SFHVURJKSA-N	521.611	2.695	0	40	KFAB	
CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	224928235	UECWFFOOEYFCOQ-QFIPXVFZSA-N	533.647	2.770	0	40	KFAB	
COc1ccc(CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@H](C)C(=O)NC2CCCCC2)cc1	224966912	VLLGKMJJMXZHGC-GOSISDBHSA-N	513.616	2.706	0	40	KFAB	
CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225182435	ADRBOWRBXKUVRX-QFIPXVFZSA-N	517.648	2.866	0	40	KFAB	
COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1	408586206	ARDQLGSOSKTDEZ-LJQANCHMSA-N	536.050	2.822	0	40	KFAB	
COCCNS(=O)(=O)c1ccc(OCC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c(Cl)c1	408636410	PYOQSXRROYBNRK-UHFFFAOYSA-N	516.447	2.954	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\Nc3cccc(C(=O)O)c3C)c(=O)n2[C@H]1c1cccc(OC)c1	408878203	YDENOCXLBSOWQF-WLJFKGHSSA-N	507.568	2.835	0	40	KFAB	
O=C(CNC(=O)CNC(=O)OCc1ccccc1)NCC(=O)OCC(=O)c1ccc(C2CCCCC2)cc1	409003772	UTZKKOOOGKEUMK-UHFFFAOYSA-N	523.586	2.619	0	40	KFAB	
CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCC(=O)N3CCOCC3)c(Br)c2)C1=O	409381608	HTTAVWRBJDLYPP-VVBXCHJUSA-N	527.393	2.675	0	40	KFAB	
COc1ccc(-c2oc3c(=O)cc(C)oc3c2CC(=O)NCCS(=O)(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1	604405326	REUWASUVOJFOFN-CTNGQTDRSA-N	593.658	2.640	0	40	KFAB	biogenic
CC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)Nc1nc2ccccc2s1	2631130	KTMJRGNMDUNAFJ-FQEVSTJZSA-N	502.618	2.710	0	40	KFAB	
Cn1c(N)c(C(=O)COC(=O)CSc2ccc(Br)c3cccc(Cl)c23)c(=O)n(C)c1=O	3228971	NRHWCYFXGVXING-UHFFFAOYSA-N	526.796	2.754	0	40	KFAB	
COc1ccc(-c2nnc(SCC(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)n2N)cc1	3401801	UULNOYBMLDLCSG-UHFFFAOYSA-N	502.622	2.573	0	40	KFAB	
CCCCn1c(CCC(=O)OCC(=O)Nc2ccccc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	12538648	YDMDNMNRYYPPAQ-UHFFFAOYSA-N	528.631	2.972	0	40	KFAB	
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O	38139987	QSCXVJBYANZUPQ-GSDHBNRESA-N	588.686	2.524	0	40	KFAB	biogenic
COc1ccc(C(=O)NC(=S)N[C@H]2CCCC[C@H]2NC(=S)NC(=O)c2ccc(OC)c(OC)c2)cc1OC	102929545	FQYRLZYUJDRJOK-HDICACEKSA-N	560.698	2.941	0	40	KFAB	
COc1ccc(C(=O)OCC(=O)NC(=O)NC(C)(C)C)cc1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1	103064824	HRXAIFCIEFGUAS-UHFFFAOYSA-N	567.064	2.641	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CCN(C)CC2)c2ccc(C)cc2)cc1Br	113630059	CVZVZNLMAXPLFX-UHFFFAOYSA-N	553.523	2.715	0	40	KFAB	
CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccccc2)[C@H](Cc2ccccc2)C(=O)NCCO)cc1	223018700	WBCMMUPXVYXJTG-HHHXNRCGSA-N	537.682	2.666	0	40	KFAB	
COc1cccc(N(CCCC(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)c1	224412119	WWTOMAGYLUHEQJ-UHFFFAOYSA-N	553.703	2.611	0	40	KFAB	
COC(=O)CN1C(=O)N/C(=C/c2cc(Br)c(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)C1=O	408548907	NESHPMHXYSYNIS-LZYBPNLTSA-N	536.310	2.680	0	40	KFAB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)cc(Br)c3OCC(=O)N3CCOCC3)C2=O)o1	409400359	PDNODVAGPFLNAU-MFOYZWKCSA-N	582.791	2.813	0	40	KFAB	
COCC(=O)N1CCCN(Cc2ccccc2)CCN(C(=O)c2cn(C)nn2)Cc2ccc(Cl)cc21	643565050	AFWKHCZHXCCOIG-UHFFFAOYSA-N	511.026	2.996	0	40	KFAB	
Cc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@H](C(=O)NC3CCCCC3)c3ccc(F)cc3)n2)o1	886372	FDVHOXXEFLWFHG-SANMLTNESA-N	553.639	2.732	0	40	KFAB	
CC(C)(C)NC(=O)[C@@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCO2	6074543	NWROANQCWNWRMI-LJQANCHMSA-N	513.551	2.995	0	40	KFAB	
COc1cc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4COCC4(C)C)cc3)o2)cc(OC)c1OC	9412960	YOJUZPFTSFZRGQ-UHFFFAOYSA-N	518.548	2.772	0	40	KFAB	
COc1cccc(CN(C)C(=O)[C@@H](CCSC)NS(=O)(=O)c2ccc3c(c2)OCCO3)c1OC	12975178	DMIPVWRLCBCILX-GOSISDBHSA-N	510.634	2.534	0	40	KFAB	
CCOC(=O)C1=C(CN2CCN(C3CCCCC3)CC2)NC(=O)N[C@H]1c1cc(OC)c(OC)c(OC)c1	22931305	YQUFMBVRNRIUHT-DEOSSOPVSA-N	516.639	2.834	0	40	KFAB	
CC(=O)N1CCC(N2C[C@@H]3C[C@H](C2)c2ccc(NS(=O)(=O)c4ccc(Cl)cc4)c(=O)n2C3)CC1	35415753	AAENKYMTBPMFLZ-ZWKOTPCHSA-N	505.040	2.733	0	40	KFAB	biogenic,in-vitro
O=C(Cn1c(=O)c2oc3ccccc3c2n(CC(=O)N[C@H]2CCc3ccccc32)c1=O)NC1CCCC1	72332083	OXTPLYGCLJXWPU-NRFANRHFSA-N	500.555	2.772	0	40	KFAB	
O=C(COC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)NCCCN1CCCC1=O	97979553	UNBKIONBTHDZIM-ZRDIBKRKSA-N	530.581	2.996	0	40	KFAB	
CCOC(=O)c1c(NC(=O)CN2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)sc(C(=O)NC)c1C	97981508	XUFGIMJPUXOJCX-UHFFFAOYSA-N	577.512	2.845	0	40	KFAB	
COc1ccc(Cl)cc1S(=O)(=O)N1CCN(Cc2cc(=O)n3nc(-c4ccccc4)sc3n2)CC1	102349811	QZFWDBSXHCMQQP-UHFFFAOYSA-N	532.047	2.987	0	40	KFAB	
C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)ccc2Cl)C1	103020726	HYHZEFOPGMEYEA-SFHVURJKSA-N	584.116	2.679	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	225232853	FUJZSBIJLMCIQH-ZWKOTPCHSA-N	510.607	2.910	0	40	KFAB	
CCOc1ccc(N(CC(=O)N(Cc2ccc(OC)cc2)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1	225671920	PLJILFFYYYLANP-IBGZPJMESA-N	505.637	2.802	0	40	KFAB	
Cc1ccc(S(=O)(=O)NCCNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1	225999442	NDIGTVAMQSSZAJ-UHFFFAOYSA-N	529.684	2.632	0	40	KFAB	
COC(=O)CCC[C@]12C[C@H]3SC[C@@](NC(=O)c4ccccc4)(C3=O)[C@]1(O)[C@@H](NC(=O)c1ccccc1)CS2	245231711	JDUSOGAEKZHNNA-CTKUCHKJSA-N	554.690	2.602	0	40	KFAB	
COc1cc2c(cc1CN1CCO[C@](COc3ccc(Cl)cc3)(CC(=O)N3CCOCC3)C1)OCO2	257292428	QLKMBKVCSWKWJI-AREMUKBSSA-N	518.994	2.976	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	260864207	AACLBXDQUSCVLU-ROUUACIJSA-N	523.627	2.941	0	40	KFAB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc4c(c3)OCO4)c2=O)=N[C@@H]1c1ccc(O)c(OCC)c1	408730355	FVWALYNRHPLINU-GSOQPGDSSA-N	508.552	2.740	0	40	KFAB	
CC(=O)N[C@H](C(=O)N1CC[C@@H]2NC(=O)[C@@H](Cc3ccccc3)NC(=O)C3(C/C=C/C[C@H]2C1)CCOCC3)[C@@H](C)OC(C)(C)C	585262381	HPSRZSHLKHSGCH-IERNAODRSA-N	610.796	2.902	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OC)c(OCCCn3cc(C)cn3)c2)C[C@@](O)(COc2ccccc2)C1	585280836	TWVYVTAOPDMNHL-PMERELPUSA-N	552.672	2.770	0	40	KFAB	
CC1(C)NC(=O)C[C@@H](C(=O)NCc2ccc(CN3CCCC3=O)cc2)NC(=O)c2ccccc2OC[C@@H](Cc2ccccc2)NC1=O	643568175	NMVAGKNGDBRNIX-PXJZQJOASA-N	639.753	2.629	0	40	KFAB	
CCOc1ccc([C@H](C(=O)NC(C)(C)C)N(Cc2cccnc2)C(=O)c2snc(C(N)=O)c2N)cc1	6090068	XGEGVNVXLSEQLQ-HXUWFJFHSA-N	510.620	2.916	0	40	KFAB	
Cc1ccc(NC(=O)COC(=O)c2ccc(OCc3c(C)noc3C)cc2)cc1S(=O)(=O)N1CCOCC1	8692372	GLYRADQEGHSKFL-UHFFFAOYSA-N	543.598	2.995	0	40	KFAB	
CCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](CSCc3ccccc3)C(=O)NCCCO)ccc12	9183753	GQKUWPWYOOBXER-QFIPXVFZSA-N	512.628	2.959	0	40	KFAB	
COc1cccc(N(CC(=O)NC2CCCCC2)C(=O)Cn2nnc(-c3ccc(OC)c(OC)c3)n2)c1	12705069	DIFYCBCGQKEYQX-UHFFFAOYSA-N	508.579	2.848	0	40	KFAB	
NC(=O)c1nsc(C(=O)N(c2cccc(F)c2)[C@@H](C(=O)NC[C@H]2CCCO2)c2cccs2)c1N	12711336	SNYVAZDXJKRLLQ-RDTXWAMCSA-N	503.581	2.708	0	40	KFAB	
COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1S(=O)(=O)N1CCCCC1	12971731	ZRIVIIJOLUUXRJ-QGZVFWFLSA-N	515.588	2.633	0	40	KFAB	
CC(=O)OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)Nc1c(Cl)cc(Cl)cc1Cl	13774368	DZVCIZYWXBFEKF-CGTJXYLNSA-N	512.726	2.944	0	40	KFAB	
O=C(CN1N=C(c2nc(-c3ccc4c(c3)OCO4)no2)CCC1=O)N1CCN(c2cccc(Cl)c2)CC1	72329744	NNCCMPDIRCIZTD-UHFFFAOYSA-N	522.949	2.794	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl	103034183	TVPVCOXYTFCSOF-UHFFFAOYSA-N	558.078	2.796	0	40	KFAB	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@H]3O[C@H]5CO[C@H](c6ccccc6)O[C@@H]5[C@@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC	150472760	SBPPWJIDARICBS-MLHCVXETSA-N	664.660	2.994	0	40	KFAB	
O=c1c2ccccc2n(C[C@@H](O)CN2CCN(C/C=C/c3ccccc3)CC2)c(=O)n1C[C@H](O)CN1CCN(C/C=C/c2ccccc2)CC1	150519220	CJBSIEZOFZAYHQ-SXEGFURPSA-N	678.878	2.547	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1OC)S(C)(=O)=O	222658914	FFBARPVPVYGGIC-AWEZNQCLSA-N	502.420	2.931	0	40	KFAB	
O=C(NCCc1ccccc1)[C@H]1CN(C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc2O1	222892245	QQBGQJXQMMEMSH-MUUNZHRXSA-N	563.676	2.793	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1Cl	226067886	MGMOCWOJVDHERR-UHFFFAOYSA-N	518.057	2.947	0	40	KFAB	
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)cc2)n1	4642533	KWZCBRQTRBKUHH-OALUTQOASA-N	559.670	2.944	0	40	KFAB	
O=C(CNC(=O)OCc1ccccc1)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1	5062897	KUIZZINTBYEAGE-SANMLTNESA-N	542.592	2.981	0	40	KFAB	
CC(=O)OC[C@H]1O[C@@H](Oc2ccc(Br)cc2Br)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	6073900	VBWWLFJAKXINAH-SWBPCFCJSA-N	582.194	2.674	0	40	KFAB	
COc1ccc(CCN(CC(=O)NCCC(C)C)C(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1OC	6133953	YPMSPGLMBSJJHP-UHFFFAOYSA-N	512.586	2.730	0	40	KFAB	
CCc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(O)cc2)cc1	6822176	GCLMJGHUKMISHS-SIKLNZKXSA-N	523.615	2.776	0	40	KFAB	
COc1ccc(C(=O)NCCc2nnc3ccc(SCC(=O)Nc4cc(OC)ccc4OC)nn23)cc1	9578606	QYCSTLBPVKYISZ-UHFFFAOYSA-N	522.587	2.853	0	40	KFAB	
COC(=O)C1=C(C(=O)OC)[C@H]2c3cccc4cccc(c34)[C@@]2(N2CCCC2)C(C(=O)OC)=C1C(=O)OC	19923652	LPTCPUXFVDNFRI-DFHRPNOPSA-N	505.523	2.527	0	40	KFAB	
COc1ccc(CCNC(=O)C(=O)NC[C@@H](c2ccco2)N2CCN(c3ccc(F)cc3)CC2)cc1OC	56945455	ARQSRUNCPZPGOI-QHCPKHFHSA-N	524.593	2.774	0	40	KFAB	
COC(=O)CCCCCNC(=O)c1cccc(-n2c(C)cn(C(=O)NCCCCCC(=O)OC)c2=O)c1	62628338	RSWAXKALEBNCEZ-UHFFFAOYSA-N	516.595	2.702	0	40	KFAB	
COc1cc(/C=c2/sc3nc([C@H]4COc5ccccc5O4)nn3c2=O)cc(Br)c1OC(C)=O	97946591	GGUFFIAXHCDWLA-LGEORROZSA-N	530.356	2.908	0	40	KFAB	
O=C(NC[C@H]1CCCO1)[C@@H](c1cccs1)N(Cc1ccc2c(c1)OCO2)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	100377920	GINMGOVWWOFFHT-NIYFSFCBSA-N	597.671	2.687	0	40	KFAB	
CN(C)S(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1)c1ccccc1F	113515843	LPANEIAGEZJGRK-UHFFFAOYSA-N	576.672	2.912	0	40	KFAB	
COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1	214690609	QHGNTIUNMYTOEZ-HYARGMPZSA-N	525.583	2.916	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O	223799702	OGALKXQVYAHDDK-KRWDZBQOSA-N	507.584	2.654	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	225359179	WYJPHEGBGPQGDE-RTBURBONSA-N	535.663	2.810	0	40	KFAB	
CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225566705	VRXUBQOKEXGYQK-KRWDZBQOSA-N	524.039	2.819	0	40	KFAB	
COC(=O)/C=C/CC/C=C/[C@H](OC)[C@H](O)[C@H](C)/C=C(/C)[C@H](O)[C@H](C)C(=O)CCC[C@@H](CC(N)=O)CC(=O)OC	252514135	BJMXBTRNBWZGEQ-SHJDGSAFSA-N	553.693	2.801	0	40	KFAB	biogenic,in-vitro
O=C(COc1ccc(N2C[C@@H](C(=O)NCCN3CCOCC3)CC2=O)cc1)Nc1cc(Cl)cc(Cl)c1	408582598	XFTPHMPRFUOIJL-KRWDZBQOSA-N	535.428	2.812	0	40	KFAB	
COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(C)ccc2OC)C1	408587667	BUYPDDWRTPAAQB-MRXNPFEDSA-N	506.577	2.847	0	40	KFAB	
COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(=O)O)cc3)c(=O)n2[C@@H]1c1ccccc1OC(C)C	409016594	QMGGIWPTBAEMPX-WLGHQHAYSA-N	536.606	2.910	0	40	KFAB	
CCOC(=O)CN1C(=O)/C(=c2\sc3n(c2=O)[C@H](c2ccc(OCC)cc2)C(C(=O)OC(C)C)=C(C)N=3)c2ccccc21	409387768	JTGFRXQCYSKZLA-ORDRXGECSA-N	589.670	2.865	0	40	KFAB	
CCOC(=O)CNC(=O)[C@@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(C(F)(F)F)c1	6546762	FTZRZRLNHFNXBD-LJQANCHMSA-N	565.530	2.616	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@H](C(=O)NC[C@@H]3CCCO3)c3ccco3)n2)cc1	7060867	UJWZFXGDUXASTI-RDPSFJRHSA-N	520.546	2.600	0	40	KFAB	
CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)S(C)(=O)=O)cc1	20450550	NXVHLZADUVDAGD-UHFFFAOYSA-N	504.590	2.686	0	40	KFAB	
CN(CC(=O)Nc1cccc(F)c1)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1	23079674	YUFRRFOUFUZYRD-UHFFFAOYSA-N	518.611	2.548	0	40	KFAB	
CCN(CC)CCNC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)cc1	32958314	MZBJWGPSRGYJTB-QFIPXVFZSA-N	510.635	2.805	0	40	KFAB	
COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1C(=O)N1CCCC1	59853375	XGGHWWZYSBJILI-UHFFFAOYSA-N	531.616	2.631	0	40	KFAB	
CSCC[C@@H](NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)C(=O)O	106362031	AZFUPQMDKQZSAV-WRVBLPNQSA-N	515.625	2.840	0	40	KFAB	biogenic
COCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1	222720425	HQSJDXSBAVGJRA-QFIPXVFZSA-N	515.676	2.974	0	40	KFAB	
CNS(=O)(=O)c1ccc(C)c(NC(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2C)c1	222768060	AGUWNXNSXDFOSG-UHFFFAOYSA-N	509.650	2.840	0	40	KFAB	
CC[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)N(c1cccc(C)c1)S(C)(=O)=O	224409600	RLXYWJUWFCTULU-DEOSSOPVSA-N	537.704	2.909	0	40	KFAB	
CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O	225028796	JWOHUYOYUPITTO-IBGZPJMESA-N	533.647	2.914	0	40	KFAB	
Cc1nn(C)cc1C(=O)N1CC[C@H](Oc2cccc(Br)c2)[C@@H](CC(=O)N2CCN(C)CC2)C1	257336323	YNXSRALKYJLSGB-AVRDEDQJSA-N	518.456	2.565	0	40	KFAB	
CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@@H]1O[C@H](n2ccc3c(N)ncnc32)[C@@H](O)[C@H]1O	301055156	WXRGFPHDRFQODR-HZLPDVBGSA-N	539.681	2.852	0	40	KFAB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(I)c(OCC(=O)O)c(OC)c4)c(=O)n32)cc1OCC	408940106	JDNATUHSSHXCDC-ZYDFGXJWSA-N	694.500	2.892	0	40	KFAB	
CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3cc(I)c(O)cc3O)c2=O)=N1	409038538	PBXYBRAXABACPU-JYWRCUDFSA-N	562.385	2.814	0	40	KFAB	
O=C(C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1CN(C(=O)C1CCC1)CC2=O)NCCN1CCCC1	514287353	XQGCKJPOZQBLRO-YQFPKPCDSA-N	522.690	2.831	0	40	KFAB	
CC1(C)NC(=O)N(CCOc2ccc(CN3CCOC[C@@](O)(COc4ccc(Cl)cc4)C3)cc2)C1=O	585279735	GFXXSCOXSFDPMZ-AREMUKBSSA-N	518.010	2.692	0	40	KFAB	
COc1ccccc1CNC(=O)CN1CC[C@H]2NC(=O)[C@@H](Cc3ccccc3)NC(=O)C3(CC=CC[C@H]2C1)CCOCC3	2037879442	WYPZMWKPYNHESD-ZGIBFIJWSA-N	588.749	2.992	0	40	KFAB	
CCCOc1c(OC)cccc1[C@@H]1C(C(=O)OC)=C(C)N=c2s/c(=C/c3ccc4c(c3)OCO4)c(=O)n21	8452446	ARAROTWWAYNAHU-FJWZAKCXSA-N	522.579	2.934	0	40	KFAB	
CCCNC(=O)C1CCC(Cn2c(=O)c3sccc3n(CC(=O)NCc3cccc(OC)c3OC)c2=O)CC1	8592538	WEYSXROVYGHCNZ-UHFFFAOYSA-N	556.685	2.891	0	40	KFAB	
COc1ccc(C(OC[C@H](O)CNCCc2ccc(S(N)(=O)=O)cc2)c2ccc(OC)cc2)cc1	12529376	ZMSRJIQKZGKMGK-JOCHJYFZSA-N	500.617	2.650	0	40	KFAB	
CCCCn1c(N)c(N(CC(C)C)C(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c(=O)[nH]c1=O	12871573	YDTMNMFJHQGTRL-UHFFFAOYSA-N	533.695	2.626	0	40	KFAB	
CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N12)C(=O)N[C@H](C)C(=O)O	12884220	WBMOUMRUWNKLGQ-LQQCPCOJSA-N	502.571	2.758	0	40	KFAB	biogenic
CC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)NC1CCN(c2c(Cc3ccccc3)c(C)nc3ncnn23)CC1	13565699	LYDGCIHGDQQGLP-SANMLTNESA-N	529.620	2.995	0	40	KFAB	
O=C(C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	21548740	BSNWFWNRFXNIKL-UHFFFAOYSA-N	506.024	2.814	0	40	KFAB	
CCN(CC)C(=O)Cn1cc(C(=O)C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccccc21	22628316	BTGPPACCPFQOAN-UHFFFAOYSA-N	504.587	2.766	0	40	KFAB	
OC[C@@H]1O[C@H](CN(Cc2ccc(F)cc2)Cc2ccc(F)cc2)[C@H](N2CCN(c3ccccn3)CC2)[C@@H]1O	67890393	BWHHSHGYNGGMGO-FUCIELGGSA-N	524.612	2.673	0	40	KFAB	biogenic,in-vitro
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O	222856281	RBHWNCYBPLHVBM-RUZDIDTESA-N	527.618	2.986	0	40	KFAB	
CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	223122901	VQTUNRLPFCLKBS-LJQANCHMSA-N	512.028	2.677	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	223450323	FVJREQOUBUAVDL-SFHVURJKSA-N	519.620	2.524	0	40	KFAB	
CS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1Br	224368102	FVUOVRKPZNSEDW-UHFFFAOYSA-N	574.519	2.585	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N(C)CC(=O)N2C[C@@H](C(=O)NCCc3ccccc3)Oc3ccccc32)cc1	226044475	YAEXEPUKHPLFAU-SANMLTNESA-N	537.638	2.859	0	40	KFAB	
Cc1cn([C@@H]2C[C@@H](CN(Cc3ccccc3)C(=O)c3ccc(OCCNC(=O)OC(C)(C)C)cc3)[C@@H](O)[C@@H]2O)c(O)nc1=O	257306099	SSXJGERMQOANIE-FIGDICHHSA-N	608.692	2.786	0	40	KFAB	
O=C(COc1ccc(N2C[C@H](C(=O)NCCN3CCOCC3)CC2=O)cc1)Nc1cccc(C(F)(F)F)c1	408574180	CTQCPGHQMOIHFY-GOSISDBHSA-N	534.535	2.524	0	40	KFAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3O)c(=O)n2[C@H]1c1ccccc1OC	409096428	KIEZGAPONKMOFC-QFVBLGFASA-N	507.612	2.826	0	40	KFAB	
COC(=O)COc1c(I)cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc1I	409221870	VOAQOSDRCQYFBM-CXUHLZMHSA-N	691.216	2.988	0	40	KFAB	
CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)c(Br)cc1OCC(=O)O	409401241	RQXVTQBBTKSVOL-NSIKDUERSA-N	523.292	2.784	0	40	KFAB	
Cc1ccc(C(=O)N2CCCCC3(CCN(Cc4ccccc4)CC3)C(=O)OC[C@@H](O)[C@@H](O)CC2)cn1	643579252	YPWFLRFJHDPWRS-IZZNHLLZSA-N	509.647	2.954	0	40	KFAB	
O=C(CN1CCC[C@]2(CC=CCOc3ccccc3C(=O)NCCNC2=O)C1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	2037879722	MMEZIAZCEAFJDX-JGCGQSQUSA-N	623.776	2.767	0	40	KFAB	
CC(C)[C@H]1NC(=O)C2(CCCCC2)NC(=O)C[C@@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)NC(=O)c2ccccc2OCCNC1=O	2037916327	TWYALQGQRSIVDK-QCENPCRXSA-N	693.817	2.647	0	40	KFAB	
CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OCC(=O)Nc2cccc(F)c2)C(C)C)c1	12604685	LCYXQUXRRDHEFR-QFIPXVFZSA-N	507.584	2.793	0	40	KFAB	
CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)N[C@H](C(=O)O)[C@H](C)CC)CC1	12866284	AFRSLTBASRDXLU-UDKICSLYSA-N	509.669	2.542	0	40	KFAB	biogenic
Cc1ccccc1[C@@H](C(=O)NCCC(C)C)N(CCN1CCOCC1)C(=O)Cn1nnc2ccccc21	20109325	QEHQLIJDLSRMEM-MHZLTWQESA-N	506.651	2.804	0	40	KFAB	
CCOc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(OC)cc3OC)[nH]c2=O)cc1	46016438	UJVKEWMDMPVPMA-UHFFFAOYSA-N	505.574	2.749	0	40	KFAB	
COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1Cl	59834064	GEOQTJIBNPWJLR-FQEVSTJZSA-N	524.020	2.524	0	40	KFAB	
COC(=O)C1=C(C(=O)OC)SC2(S1)C(C(=O)OC)=C(C(=O)OC)SC1=C2c2cccc3c2N(C(=O)C3=O)C1(C)C	100116876	SMLMQTLMNUDCMH-UHFFFAOYSA-N	603.652	2.800	0	40	KFAB	
COc1cc(C(=O)NCCN2C(=O)S/C(=C/c3ccc(F)cc3)C2=O)ccc1OCC(=O)N1CCOCC1	103042614	KMSCXEMXEORVAI-HYARGMPZSA-N	543.573	2.538	0	40	KFAB	
CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	222927095	GORDZZHDXSNZGW-NRFANRHFSA-N	503.621	2.556	0	40	KFAB	
COC(=O)c1cc(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCC(C)CC3)c2)cc(C(=O)OC)c1	408706167	WPHNNTIXGSQUIC-UHFFFAOYSA-N	504.561	2.941	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\Nc3cccc(C(=O)O)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	408873163	NWIRFJDBLPEUBB-QCHPHUCNSA-N	537.594	2.843	0	40	KFAB	
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCCC(=O)NCCN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)[C@@H]21	524729883	NCVOYIGNLDGRLL-QJTKOPTISA-N	611.699	2.996	0	40	KFAB	biogenic
CN(CCC(=O)N1CCO[C@@](COc2ccc(F)cc2)(CC(=O)N2CCOCC2)C1)c1ccc(F)cc1	585283596	FHVHZEOCQDOWQR-MHZLTWQESA-N	517.573	2.717	0	40	KFAB	
COc1ncccc1CN1CCC2(CCOc3cc(-c4ccccc4)ccc3S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)N2)CC1	1548889460	GVEJFIUAYGMSHS-FTJBHMTQSA-N	592.718	2.815	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OC)cc3OC)c(=O)n2[C@H]1c1cccs1	8451788	IAZLRWOKJOUXIZ-MRCZTLKWSA-N	500.598	2.886	0	40	KFAB	
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=S)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)cc2)n1	9111051	CVCYYFHJWGQOQG-ZWKOTPCHSA-N	510.645	2.872	0	40	KFAB	
Cc1ccc(Cn2c(=O)c3ccccc3n3c(CCC(=O)N4CCN(C(=O)c5ccco5)CC4)nnc23)cc1	9831412	NLDLKJKWJCGNGN-UHFFFAOYSA-N	524.581	2.911	0	40	KFAB	
O=C(c1ccc2c(c1)OCCOCCOCCOCCO2)c1ccc2c(c1)OCCOCCOCCO2	12375073	LYKXMGLSXVUNOG-UHFFFAOYSA-N	518.559	2.543	0	40	KFAB	
C[C@@H](c1nnc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)n1C)N1C(=O)COc2ccccc21	15019063	XASGIAWFWZKQHF-KRWDZBQOSA-N	508.604	2.869	0	40	KFAB	
CC[C@@H](C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OC)N(c1ccc(C)cc1)S(C)(=O)=O	30754195	MQAPTGVPPMWCLW-NRFANRHFSA-N	509.650	2.971	0	40	KFAB	
COc1cc(OC)cc(C(=O)NCC(=O)NCCN2C(=O)S/C(=C\c3ccccc3Cl)C2=O)c1	32721153	WRZOLQBREVIHFA-ODLFYWEKSA-N	503.964	2.940	0	40	KFAB	
CCCN1CCN(C(=O)c2cn(CC)nc2S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)CC1	67338040	ZKGCLIRDILFRNL-UHFFFAOYSA-N	523.103	2.544	0	40	KFAB	
CCOc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)Cc3nnnn3Cc3ccc(F)cc3)cc2c1	100373499	FFBAFBCWEQHLEI-UHFFFAOYSA-N	535.624	2.825	0	40	KFAB	
COc1ccc(OC)c(C[C@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1	100468826	PEOQEYQKVKTFFV-SANMLTNESA-N	539.654	2.874	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1	103097855	FCECMRLMIXBCQX-UHFFFAOYSA-N	545.639	2.866	0	40	KFAB	
CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222776652	YZWBPYOPUVCENN-IBGZPJMESA-N	538.066	2.683	0	40	KFAB	
CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	223111436	CVQGQTSYNHPJBW-XMMPIXPASA-N	537.638	2.958	0	40	KFAB	
COC(=O)CSc1nnc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)s1	223328023	PYUYOXQZAJICSZ-UHFFFAOYSA-N	556.619	2.794	0	40	KFAB	
C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	223848247	PHRKXENRGJKCTG-INIZCTEOSA-N	504.008	2.961	0	40	KFAB	
O=C(CSCc1ccc(Br)cc1)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1	224434389	KDSPJQFMRZUBTD-UHFFFAOYSA-N	529.478	2.898	0	40	KFAB	
CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OCC)cc1)S(C)(=O)=O	225019764	FEUBQASQSZFJBX-IBGZPJMESA-N	505.637	2.803	0	40	KFAB	
CCOc1ccc(-c2noc(CNC(=O)C3CCN(S(=O)(=O)c4ccc(OC)cc4)CC3)n2)cc1	225502927	UBRVKYJPDCBKLO-UHFFFAOYSA-N	500.577	2.861	0	40	KFAB	
COc1cccc(OC)c1C(=O)NN1C[C@@H](C(=O)OCC(=O)Nc2ccc(Br)c(C)c2C)CC1=O	408649972	AAIOOQJSRCZORA-HNNXBMFYSA-N	548.390	2.758	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C)c4ccc(Br)cc43)c(=O)n2[C@H]1c1cc(OC)ccc1OC	409110850	AMFTWJOZVUVBCU-VFJWVMJUSA-N	598.475	2.925	0	40	KFAB	
COc1cccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C4/C(=O)N(C)c5ccccc54)c(=O)n32)c1	409120567	UHEVVYLKQODALY-MOBKVPTQSA-N	503.580	2.542	0	40	KFAB	
CCCCN1C(=O)/C(=c2\sc3n(c2=O)[C@H](c2ccc(OC(C)=O)cc2)C(C(=O)OC)=C(C)N=3)c2ccccc21	2060530	WJJLNTRYSXBDSM-QQYUXEJHSA-N	545.617	2.850	0	40	KFAB	
CC(=O)Oc1cc(OC(C)=O)c2c(c1)O[C@H](c1ccc(OC(C)=O)c(OC(C)=O)c1)[C@H](OC(C)=O)C2	4164613	BKYWAYNSDFXIPL-JWQCQUIFSA-N	500.456	2.996	0	40	KFAB	biogenic,in-vitro
CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2CC)cc1	6878358	RWCILLSTOAQNTQ-UHFFFAOYSA-N	559.670	2.893	0	40	KFAB	
COCCNC(=O)[C@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(C)c1C	12467341	RPEGHNOCRCYTFT-NRFANRHFSA-N	511.604	2.600	0	40	KFAB	
CN(C(=O)CSc1nnc([C@H]2COc3ccccc3O2)n1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1	13525212	PCMUHJRIVZKGJX-YLJYHZDGSA-N	500.602	2.517	0	40	KFAB	
CN(c1ccc(OCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1)S(=O)(=O)c1ccccc1	19937853	ZZVAQLPRWCDXDH-UHFFFAOYSA-N	523.611	2.964	0	40	KFAB	
Cn1cc(C(=O)N2CCC(N3CCCCC3)CC2)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)n1	67337507	PZALBXCJFWCSOI-UHFFFAOYSA-N	535.114	2.675	0	40	KFAB	
CC[C@@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O	70707037	HVHVKUFUIIQCAU-YJECHUCRSA-N	570.646	2.817	0	40	KFAB	biogenic
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(OC)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	105501200	NGGYKYUYPMZZQN-YOGOOIESSA-N	620.421	2.846	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	223455309	RBWCVAYXHZRINT-HXUWFJFHSA-N	547.674	2.956	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1	224339106	FAHDIQXZDXIZCY-OAQYLSRUSA-N	570.133	2.862	0	40	KFAB	
CC(C)C(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](CCNS(=O)(=O)c4ccc5[nH]c(=O)oc5c4)OCC[C@@]31C2	257336687	YPOYOTWDHUGEKP-RAWBVISNSA-N	505.637	2.772	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	261033010	XNIJLPWUNNDSRD-SJORKVTESA-N	507.584	2.652	0	40	KFAB	
COc1c(CC2(CN3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)C(=O)N(C)C(=O)N(C)C2=O)c(CCN(C)C(=O)c2ccccc2)cc2c1OCO2	263585430	ILGHKDWGCFMCEB-JYFHCDHNSA-N	683.762	2.599	0	40	KFAB	biogenic
O=C1NC[C@H]2O[C@H](CCOc3cc(-c4ccccc4)ccc3C(=O)N3CCN(Cc4cccnc4)C[C@@H]13)CC[C@@H]2O	514287354	AGCGSTHRZNUBKH-UTDCNRKPSA-N	556.663	2.882	0	40	KFAB	
Cc1cccc2c1OCCCNC(=O)C1(CCCCNC2=O)CCN(CC(=O)Nc2c(C)nn(C)c2C)CC1	618017104	FPOXBQSZEVFWJC-UHFFFAOYSA-N	538.693	2.865	0	40	KFAB	
COc1cccc(-c2ccc3c(c2)OCCC2(CCN(Cc4ccncc4)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2S3(=O)=O)c1	1548891150	YBZAWEOONRKBPT-VPUSJEBWSA-N	592.718	2.815	0	40	KFAB	
CCN(CC)S(=O)(=O)c1cc(C(=O)OCc2cc(=O)n3cc(Br)ccc3n2)ccc1F	2640494	HYYXJPSZBZGQSC-UHFFFAOYSA-N	512.357	2.984	0	40	KFAB	
CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)OCC(=O)Nc1cccc(I)c1	3398175	QVTNIRDYNAAIKH-FQEVSTJZSA-N	574.393	2.547	0	40	KFAB	
CCN(C(=O)COC(=O)c1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1)[C@@H]1CCS(=O)(=O)C1	12541394	UMSXBCLNVBWSHT-HXUWFJFHSA-N	513.568	2.873	0	40	KFAB	
CC(C)[C@@]1(NC(=O)[C@@H]2C=C3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@@H](Cc3ccccc3)N2C1=O	14952017	HEFIYUQVAZFDEE-PZAZMJMWSA-N	609.727	2.627	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	19800757	JILDPVKNOZHPEN-LYRGBEMXSA-N	522.579	2.741	0	40	KFAB	
COCCn1nnnc1[C@@H](c1cc2cc(OC)ccc2[nH]c1=O)N1CCN(c2cccc(Cl)c2)CC1	20083809	PZOPGXLVUPIUTC-HSZRJFAPSA-N	509.998	2.735	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)/C=C/c1ccc(OC(F)F)cc1	23079005	FILFMBXFJZTUDV-WEVVVXLNSA-N	510.515	2.812	0	40	KFAB	
CS(=O)(=O)c1ccc(CN2CCC[C@H]2c2nc(-c3ccnc(N4CCC(C(N)=O)CC4)c3)no2)cc1	35424753	SYPJTTJYGNSMGC-NRFANRHFSA-N	510.620	2.574	0	40	KFAB	biogenic,in-vitro
COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)cc1Cl	59838522	ARYJCDZNPGDEQR-UHFFFAOYSA-N	556.106	2.850	0	40	KFAB	
CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)c(OC)c2)C(C(=O)OC)=C(C)N=3)ccc1OC(C)=O	97966435	DFLXHZZXQJTETI-YXDQGSNCSA-N	552.605	2.749	0	40	KFAB	
CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC[C@H]2CCCO2)cc1	222871615	DZNKGZPPXDIWIS-WMZHIEFXSA-N	519.639	2.769	0	40	KFAB	
C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	224833603	KNFHOBCUHHGEDG-QGZVFWFLSA-N	501.580	2.836	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=S)NCc1ccc(S(=O)(=O)N2CCCC2)cc1	225230105	VWNDHKUCVGSPRH-UHFFFAOYSA-N	538.717	2.751	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	225393054	HPSUILHDVZIACN-RBUKOAKNSA-N	535.663	2.810	0	40	KFAB	
COc1ccc(CN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NCCCO)cc1	260714062	AIHAVAZDRCPSKG-MUUNZHRXSA-N	567.708	2.596	0	40	KFAB	
COC(=O)CN1C(=O)N/C(=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)c(Br)c2)C1=O	408548539	IKJSQASUSZKWRZ-LICLKQGHSA-N	502.321	2.841	0	40	KFAB	
CCCN1C(=O)N/C(=C/c2cc(I)cc(Br)c2OCC(=O)O)C1=O	409229025	INXBOSGQQNJPGQ-VZUCSPMQSA-N	509.094	2.820	0	40	KFAB	
COc1cc([C@@H](CC(=O)NCCn2c(C)nc3cc(OC)c(OC)cc3c2=O)c2oc(C)cc(=O)c2O)ccc1O	604405918	SZTKIXXEQRSNMP-GOSISDBHSA-N	565.579	2.742	0	40	KFAB	biogenic
Cc1csc(CCCNC(=O)[C@@H]2CCC(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)CCOc3ccccc3C(=O)N2)n1	643569444	WEHMQERPTVKABA-DQEYMECFSA-N	591.734	2.657	0	40	KFAB	
CCCCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NC2CCCC2)CC(=O)N[C@@H](Cc2ccccc2)C1=O	643913371	TWYHRWRUZXPFBM-UIOOFZCWSA-N	548.684	2.983	0	40	KFAB	
CCCC[C@H]1C(=O)O[C@H](C)[C@H](NC(=O)c2cccc(NC=O)c2O)C(=O)O[C@@H](C)[C@@H]1OC(=O)CC(C)C	4212164	PVEVXUMVNWSNIG-PDPGNHKXSA-N	520.579	2.700	0	40	KFAB	endogenous,in-man
CC(C)C[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CCC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(N)=O	6190423	OQCSRTHUMNABCZ-XPNTWCBSSA-N	548.681	2.560	0	40	KFAB	
COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1	12531567	ODSUXVVVPVOLQH-UHFFFAOYSA-N	520.604	2.818	0	40	KFAB	
Cc1nc(-c2ccc3c(c2)CCN3CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1	12533087	OVRXNFNXLLHWAY-UHFFFAOYSA-N	512.657	2.818	0	40	KFAB	
COc1ccc(NC(=O)[C@H](c2ccc(OC)cc2)N(Cc2ccco2)C(=O)C[C@@H]2NC(=O)NC2=O)cc1	13146688	QYOLBTBPLYDETO-GMAHTHKFSA-N	506.515	2.604	0	40	KFAB	
CCOC(=O)C1CCN([C@H](c2cc3ccc(OC)cc3n3nnnc23)c2nnnn2C2CCCC2)CC1	13513741	GGBVXWWUYYOZKB-JOCHJYFZSA-N	505.583	2.752	0	40	KFAB	
O=C(COC(=O)c1ccccc1OCc1ccccc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1	103111421	UIPLKYNUVOTTQG-UHFFFAOYSA-N	595.674	2.919	0	40	KFAB	
CN1C(=O)N(C)C(=O)C(Cc2ccc(OC[C@H](O)c3ccccc3)cc2)(CN2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)C1=O	103542804	VOYKGCIIGXHHRT-AGJHTDJMSA-N	584.673	2.659	0	40	KFAB	
COCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O	222782606	ZRDAVAPGWPFJPA-IBGZPJMESA-N	510.056	2.672	0	40	KFAB	
COCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O	223154797	KWDIEFFNXMYSSA-MHZLTWQESA-N	555.672	2.990	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	223742292	KZLDVOVQCPOVGS-INIZCTEOSA-N	512.028	2.677	0	40	KFAB	
CCOc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1	224451497	YHFBFQCAARCNBK-UHFFFAOYSA-N	621.709	2.636	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O	225364732	ISDGXNBIWRWDDJ-RBUKOAKNSA-N	517.648	2.996	0	40	KFAB	
CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC[C@@H]2NC(=O)[C@@H](Cc3ccccc3)NC(=O)C3(C/C=C/C[C@H]2C1)CCOCC3	257217493	CZFBEHDBYDBIEQ-VCSPCJTGSA-N	616.759	2.647	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)OCO4)c(=O)n2[C@H]1c1cccc(OC)c1OCC	408912881	RUGHVWIHKKWEML-RQLGBQGVSA-N	522.579	2.934	0	40	KFAB	
CCOC(=O)COc1cc(Br)c(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1OCC	409134254	NMNFCPREXDSSSO-VCHYOVAHSA-N	557.419	2.685	0	40	KFAB	
COc1cc([C@@H](CC(=O)N[C@H](Cc2ccccc2)c2nc(O)n[nH]2)c2oc(C)cc(=O)c2O)ccc1O	524730225	AEDCBYLKSKHNKP-QZTJIDSGSA-N	506.515	2.814	0	40	KFAB	biogenic
COCc1ccc(CNCC(=O)N2CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)CN(C(=O)c3ccccc3F)C[C@H]2CC(C)C)cc1	643586657	KJECKXSSKVBDRR-UGUWQOMFSA-N	631.786	2.995	0	40	KFAB	
CC(=O)O[C@H]1[C@@H](OC(=O)c2ccc(C)cc2)[C@H](COC(=O)c2ccc(C)cc2)O[C@H]1n1cc(I)c(=O)[nH]c1=O	5223280	NRUPRHFQGBCWJJ-GRSYGWAWSA-N	648.406	2.670	0	40	KFAB	biogenic,in-vitro
CCCCn1c(SCC(=O)Nc2sc(C(C)=O)c(C)c2C(=O)OCC)nc2c1c(=O)n(C)c(=O)n2C	6162135	LDFZWPMMNDVUAY-UHFFFAOYSA-N	535.648	2.714	0	40	KFAB	
CC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](c3nc4c(nnn4Cc4ccc(C)cc4)c(=O)[nH]3)C2)c1	15907288	NWXSILBXVLZCHF-HXUWFJFHSA-N	506.588	2.642	0	40	KFAB	
COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4ccc(F)cc4)CC3)cc2c1	19940662	RCKRIXSZSBPKIU-WIOPSUGQSA-N	519.581	2.753	0	40	KFAB	
COCCn1nnnc1[C@H](c1cc2cc(OC)ccc2[nH]c1=O)N1CCN(c2cccc(C)c2C)CC1	19973249	HFWJGAWSLVDUMD-VWLOTQADSA-N	503.607	2.698	0	40	KFAB	
CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)N(c1ccc(C)cc1)S(C)(=O)=O	30856541	XZIHYTMBWHPKMJ-FQEVSTJZSA-N	503.606	2.769	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(C[C@H]3CCCO3)[C@H](C(=O)NC[C@@H]3CCCO3)c3ccc(F)cc3)n2)cc1OC	100277314	HBHXJMCWVQQFKN-OBTVHEKISA-N	582.633	2.541	0	40	KFAB	
O=C(CN(Cc1ccc(F)cc1)C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)NCc1ccccc1	100295012	NCNTXQCBNWEBDP-LHEWISCISA-N	539.585	2.587	0	40	KFAB	
COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H](C)C(=O)NCc2ccccc2OC)cc1	222935237	XUTCCWILRXUIPP-HSZRJFAPSA-N	611.717	2.837	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223960218	JXGIBWDOXADMOX-QGZVFWFLSA-N	568.490	2.930	0	40	KFAB	
COc1ccc(N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)cc1	224088733	UMCWNFMOJTXTCA-FQEVSTJZSA-N	501.649	2.980	0	40	KFAB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1	224281258	GEMYOOQEQCECCX-UHFFFAOYSA-N	543.667	2.862	0	40	KFAB	
COC(=O)CSc1nnc(NC(=O)C2CCN(S(=O)(=O)Cc3c(F)cccc3Cl)CC2)s1	224385996	UIZRIJPCFNQISX-UHFFFAOYSA-N	523.033	2.776	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)cc1	224448803	QAVJDTZTEBAPFP-UHFFFAOYSA-N	573.693	2.650	0	40	KFAB	
CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O	224547893	WDWDRMUBNWNXSN-OAQYLSRUSA-N	501.605	2.563	0	40	KFAB	
CCN(CC(=O)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1	226058405	CXKIHNSGMUMURY-UHFFFAOYSA-N	544.095	2.503	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2)cc1C	408561423	SHYKTGOOXQGHSH-UHFFFAOYSA-N	529.659	2.868	0	40	KFAB	
COc1ccc(OC)c(N(CC(=O)NCc2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	409314765	HGNVDJZTQFGKAS-UHFFFAOYSA-N	544.582	2.961	0	40	KFAB	
CC(C)CCO[C@@H]1CN(C(=O)c2ccccc2F)CCN(C(=O)c2cccc(CN)c2)CCCCOC[C@@H](O)[C@H]1O	643551374	HTPSJHRWPOCXPS-MPFGFTFXSA-N	573.706	2.833	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OCCn3ccnc3C)cc2)C[C@](O)(COc2ccc(F)cc2)C1	2037928486	YOPITYVVZNRHRI-MUUNZHRXSA-N	526.609	2.510	0	40	KFAB	
COc1ccc(CN2CCN(C(C)=O)C[C@](O)(COc3ccc(F)cc3)C2)cc1OCCn1ccnc1	2037940769	ISGKYFLHNBTVCD-MHZLTWQESA-N	512.582	2.584	0	40	KFAB	
C[C@@H]1O[C@H](O[C@@H]2CCCC3=CC[C@H]4[C@@H]5C[C@H]6O[C@@]7(CC[C@@H](C)CO7)[C@H](C)[C@H]6[C@]5(C)CC[C@H]4[C@@]32C)[C@@H](O)[C@@](O)(O[C@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O	2060997163	YSAIEUUBBXPLJH-CHGVRPTMSA-N	722.913	2.738	0	40	KFAB	
CCCCCCn1c(COc2ccccc2F)nnc1SCC(=O)c1c(N)n(C)c(=O)n(C)c1=O	3360703	XNDGGBFLMXBWGY-UHFFFAOYSA-N	504.588	2.531	0	40	KFAB	
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(C(=O)Cc3cccs3)C2)cc1	4150080	KHJORYJCOZMHMT-ZWKOTPCHSA-N	526.640	2.857	0	40	KFAB	biogenic,in-vitro
COc1cc2c(cc1OC)[C@@H](C)N(CC(=O)Nc1ccc(C)c(S(=O)(=O)N3CCOCC3)c1)CC2	8994610	HCAFBYBMYUTYIA-GOSISDBHSA-N	503.621	2.591	0	40	KFAB	
CCOC(=O)c1cc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccccc3OC)C2)cc(C(=O)OCC)c1	12529012	PSVAJSYEWJGVKQ-GOSISDBHSA-N	512.515	2.583	0	40	KFAB	
CCOC(=O)c1c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)sc(C(=O)N(C)C)c1C	12918511	IFEHDCCRPVLQBC-MRXNPFEDSA-N	515.588	2.778	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N2CCN([C@H]3CC(=O)N(c4ccccc4C(F)(F)F)C3=O)CC2)cc1	13014135	VEFVPOUUIKZWSO-FQEVSTJZSA-N	511.522	2.743	0	40	KFAB	
CCOc1ccccc1N1C[C@@H](C(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)CC1=O	24773054	XJKHDSHWWUWURW-FQEVSTJZSA-N	519.602	2.608	0	40	KFAB	
CC(=O)OC[C@H]1O[C@H](SCCOc2ccc(Br)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	102809756	ZDUHEZBXPHVNCZ-ZGJYDULXSA-N	563.419	2.644	0	40	KFAB	
COCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O	223297641	JMHFDAZHQGPCMC-HHHXNRCGSA-N	523.655	2.981	0	40	KFAB	
C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	223896100	UITVEZHSIPHXEV-QGZVFWFLSA-N	501.580	2.836	0	40	KFAB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(OC)c(O)c(OC)c4)c(=O)n32)cc1OCC	408933353	IUUSVJALEVCJPK-HIFDDZRDSA-N	540.594	2.538	0	40	KFAB	
CCc1nccn1CCOc1ccc(CN2CCN(C(=O)COC)C[C@@](O)(COc3ccc(C)cc3)C2)cc1OC	585272763	OMWZOXSENDOYOY-WJOKGBTCSA-N	566.699	2.942	0	40	KFAB	
Cn1ncc2c(=O)n(CCC(=O)N3CCC4(CCCCc5ccccc5OC[C@@H]5CCCN5C4=O)CC3)cnc21	643557063	ACYQEYHGLLPFLP-QHCPKHFHSA-N	546.672	2.925	0	40	KFAB	
CSCC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)O[C@H](C)C(=O)N1CCN(C(=O)c2ccco2)CC1	12634961	VNWBAEVBWFWGKT-APWZRJJASA-N	522.023	2.701	0	40	KFAB	
CCn1cc(C(=O)N[C@@H](C)C(=O)NCCc2c[nH]c3ccc(OC)cc23)c(=O)c2cc3c(cc21)OCO3	12893278	LWLWOPFPFOUBQB-HNNXBMFYSA-N	504.543	2.717	0	40	KFAB	biogenic
CC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H](C(=O)Nc4cc(C)on4)[C@]4(C)C=C[C@]3(O4)[C@H]2C(=O)NC(C)(C)C)c1	33939918	IIOSDNZJVAGURR-VQADQOPBSA-N	506.559	2.784	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	59418412	OBYYRUCIVLWUGN-RWTNITNYSA-N	524.595	2.833	0	40	KFAB	
C[C@H](C(=O)NCc1cccnc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222779786	JBSPQGVTDLVLAE-OAQYLSRUSA-N	587.098	2.868	0	40	KFAB	
C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C	223886717	PMAVLXFEUQUYBP-IBGZPJMESA-N	504.628	2.915	0	40	KFAB	
COc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)S(=O)(=O)c2ccccc2)cc1Cl	224204284	MOBLEOFLFDHSCP-UHFFFAOYSA-N	582.100	2.989	0	40	KFAB	
C[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O	224222868	RFYWJOGYPCKYCJ-AWEZNQCLSA-N	538.475	2.593	0	40	KFAB	
CS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc2ccccc12	224368273	AKUNJXYTARWCKD-UHFFFAOYSA-N	545.683	2.976	0	40	KFAB	
C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1F)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	224697471	WDOFDLJNZNSUGL-KRWDZBQOSA-N	501.580	2.836	0	40	KFAB	
Cc1ccc(S(=O)(=O)NCCNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(C)ccc2C)cc1	225935459	SIAKYDZHVKAVCJ-UHFFFAOYSA-N	529.684	2.897	0	40	KFAB	
COc1ccc2c(c1)OC(C)(C)[C@@H]1C[C@H]3CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)CC[C@H]3O[C@@H]21	257288875	PWAWDXCEMDXJLU-ZSXCXTCJSA-N	517.623	2.930	0	40	KFAB	
CCCC[Sn]1(CCCC)O[C@H]2[C@H](O1)[C@H](CO)O[C@H]2n1c(Br)c(C(N)=O)c2c(N)ncnc21	263606297	QSLNHHPPKCRZDT-LEKGCGMASA-N	619.105	2.591	0	40	KFAB	
O=C(COc1ccc(N2C[C@@H](C(=O)NCCN3CCOCC3)CC2=O)cc1)Nc1ccc(Cl)c(Cl)c1	408579094	MOMKZJZLTNVODJ-KRWDZBQOSA-N	535.428	2.812	0	40	KFAB	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(O)c3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC	408956156	YXIRTLBYGHHRLJ-LYFUXTGPSA-N	500.960	2.784	0	40	KFAB	
O=C(O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(N([C@H]3CS(=O)(=O)C[C@@H]3O)S(=O)(=O)c3cc(C(=O)O)ccc3Cl)cc2)c1	575425958	JSDSQQZZZBMBDX-PMACEKPBSA-N	679.534	2.544	0	40	KFAB	
Cc1cc(OC[C@@]2(CC(=O)N3CCN(C)CC3)CN(C(=O)Cc3c(C)noc3C)CCO2)ccc1Cl	585283322	DKPWWVJUMMFTPH-AREMUKBSSA-N	519.042	2.636	0	40	KFAB	
O=C(COC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)NC(=O)Nc1ccc2c(c1)OCCO2	2637208	ONKUUOIEDHQGJV-UHFFFAOYSA-N	529.502	2.903	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(C(=O)OCCN2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1	3223792	IUEUIGYDUFSFJM-CVQXOBEKSA-N	530.602	2.986	0	40	KFAB	
Cc1c2c(=O)n(-c3nc4ccccc4s3)[nH]c2cc(=O)n1CCN1CCN(C(=O)Cc2cccs2)CC1	3765663	BBIVCPBXYHACKB-UHFFFAOYSA-N	534.667	2.847	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)O)c(OC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1	8454289	PCDIWWXMGHCGSL-AGIMELGASA-N	542.997	2.924	0	40	KFAB	
CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)N[C@@H](CC(C)C)C(=O)O)CC1	12874384	MRIOEORREGDNCX-NYVOZVTQSA-N	509.669	2.542	0	40	KFAB	biogenic
C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)cc2)C[C@@H](C)O1	17297556	PKWFKENMIFCALF-IYBDPMFKSA-N	536.657	2.994	0	40	KFAB	
CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1	20047202	DPPFYEDEXKCXOJ-IBGZPJMESA-N	502.014	2.536	0	40	KFAB	
COc1cc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)ccc1OCC(C)C	23077455	JHPLKLVRSGHXSG-UHFFFAOYSA-N	506.577	2.546	0	40	KFAB	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@H]3O[C@H]5CO[C@@H](c6cccs6)O[C@@H]5[C@@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O	67957213	NRUKOCRGYNPUPR-NPRDBCMMSA-N	656.662	2.753	0	40	KFAB	
CCOC(=O)c1oc2cc(O[C@@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)ccc2c(=O)c1-c1cscn1	150419182	SFBDPQSPXMSRAI-YHYSZDIKSA-N	647.611	2.555	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O	225422035	GXAYXWASKHLCDF-CQSZACIVSA-N	500.390	2.518	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225467895	UOHYXQLEDYWTCJ-QGZVFWFLSA-N	568.490	2.930	0	40	KFAB	
CN(c1ccc(CC(=O)N2C[C@@H](C(=O)NCCc3ccccc3)Oc3ccccc32)cc1)S(C)(=O)=O	225975376	NYWWWHYJRDRDSK-VWLOTQADSA-N	507.612	2.778	0	40	KFAB	
S=C(NCc1ccc2c(c1)OCO2)Nc1nc(N2CCOCC2)cc(N2CCN(c3ccccc3)CC2)n1	226012345	FUCDRGSFIAYOKT-UHFFFAOYSA-N	533.658	2.855	0	40	KFAB	
CCOc1cc(/C=C2/NC(=O)NC2=O)cc(I)c1OCC(=O)Nc1ccccc1	409045434	YKSQGDOVMJFDFP-OQLLNIDSSA-N	507.284	2.888	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3/C(=O)N(C)c4ccccc43)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC	409120045	UMKXJFGIYYMMLH-JBCNATCCSA-N	523.998	2.807	0	40	KFAB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(O[C@@H](C)C(=O)O)c(I)c3)C2=O)o1	409398036	BFWZIEZASFOHSY-WULZRQGASA-N	540.266	2.616	0	40	KFAB	
CC(=O)N1CCCN(C)CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)Cc2ccccc21	643554230	NRRJMHHJOCPNHV-RUZDIDTESA-N	516.639	2.696	0	40	KFAB	
Cc1nc(CC(=O)N(C)CCC[C@H]2C(=O)N(C)CCCCc3ccccc3OCC(=O)N2C)cs1	643560215	GFMRLAYJILDBOQ-QFIPXVFZSA-N	500.665	2.933	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCO4)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	707830	QOILFRKAJBWDCB-GSOQPGDSSA-N	508.552	2.544	0	40	KFAB	
NC(=O)COc1c(Cl)cc(S(=O)(=O)c2cc(Cl)c(OCC(N)=O)c(Cl)c2)cc1Cl	3066363	NOLLJBHHAYZPGU-UHFFFAOYSA-N	502.159	2.861	0	40	KFAB	
COc1ccc(CCNC(=O)c2c(N)n(-c3ccc(S(N)(=O)=O)cc3)c3nc4ccccc4nc23)cc1	3310956	YAXYSESARDVENH-UHFFFAOYSA-N	516.583	2.784	0	40	KFAB	
CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCN2CCOCC2)cc1	12469836	LYAHOZWLUCWSBX-JOCHJYFZSA-N	528.606	2.666	0	40	KFAB	
CC(C)CCn1c(=O)c2ccc(C(=O)NCC(C)C)cc2n2c(=O)n(CC(=O)N(C)c3ccccc3)nc12	45943470	AUQZGMZDXQCUBJ-UHFFFAOYSA-N	518.618	2.906	0	40	KFAB	
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	59064407	SRPHMISUTWFFKJ-RKOHBUPGSA-N	516.675	2.929	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O	60028900	FJKFMOIFHZXMLN-UHFFFAOYSA-N	560.492	2.955	0	40	KFAB	
O=C1NC(=O)[C@@](Cc2ccc3c(c2)OCO3)(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)C(=O)N1c1ccccc1	70669818	MJVOGIXNGXYBQI-PHKGMDLESA-N	540.576	2.508	0	40	KFAB	biogenic
Cc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)cc1S(=O)(=O)N1CCCCC1	103099849	CAZWTRMAHPTDOJ-UHFFFAOYSA-N	558.078	2.869	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1	224330309	QFPATRUZIZPUGH-UHFFFAOYSA-N	535.688	2.596	0	40	KFAB	
C[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O	224375139	CQJIPQRDCNLAKS-SFHVURJKSA-N	544.095	2.864	0	40	KFAB	
CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(OC)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	224586367	OGFAIYIAPLDXDO-JOCHJYFZSA-N	513.616	2.706	0	40	KFAB	
COc1ccc(CN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)[C@H](C)C(=O)NCCCOC(C)C)cc1	260716824	GFIYBBAHJQTCRA-JOCHJYFZSA-N	533.691	2.805	0	40	KFAB	
COc1ccc(N(CC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)S(=O)(=O)c2ccccc2)cc1OC	408619102	MAJRXFMNCMENAF-UHFFFAOYSA-N	510.572	2.728	0	40	KFAB	
COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(I)cc2)c(Cl)c1	408637143	YMUNQVCXPGUNKO-UHFFFAOYSA-N	524.764	2.887	0	40	KFAB	
CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OC)c2)n2c(s/c(=C3/C(=O)N(CC(=O)OCC)c4ccccc43)c2=O)=N1	409390376	UWZGBHZTELSAJB-GAPOMRBKSA-N	589.670	2.867	0	40	KFAB	
C[C@]1(NC(=O)Nc2ccc(-c3ccc(NC(=O)N[C@]4(C)CCS(=O)(=O)C4)cc3)cc2)CCS(=O)(=O)C1	575425282	XRYWVRXSBFYFIN-PSWAGMNNSA-N	534.660	2.751	0	40	KFAB	
CCN1CCN(C(=O)[C@@H]2CCC(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)[C@H](Cc3ccccc3)COc3ccccc3C(=O)N2)CC1	643569857	UCMKYSDGORKITK-GHPAMLPFSA-N	639.797	2.919	0	40	KFAB	
C[C@H]1CN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)cc2)C[C@@H](C)O1	8857580	QXYDGVIKLJYDTR-WTGUMLROSA-N	508.662	2.949	0	40	KFAB	
O=C(C[S@@](=O)CC(=O)N(CC(=O)NC1CCCCC1)Cc1cccs1)Nc1ccc2c(c1)OCO2	12710029	UIHCFMMHHLBOIH-DHUJRADRSA-N	519.645	2.642	0	40	KFAB	
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(Cl)cc3)CC2)N[C@H]1c1cc(OC)c(OC)c(OC)c1	20674931	OKRQOTFGFROZNO-VXKWHMMOSA-N	531.009	2.894	0	40	KFAB	
Cc1c(C)n2c3c(=O)[nH]c(=O)n(C)c3nc2n1CCN1CCN(C(c2ccccc2)c2ccccc2)CC1	20815447	HRODQVSVUFEHBX-UHFFFAOYSA-N	511.630	2.700	0	40	KFAB	
COC(=O)C1=C(CS(=O)(=O)c2ccc(Br)s2)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1	33357551	RRKOZKVQPXEBRS-QGZVFWFLSA-N	531.406	2.783	0	40	KFAB	
CCOC(=O)C1=C(C)C2[C@H]3C(=O)N(c4ccc(C(=O)O)cc4)C(=O)[C@@H]3C1(C)[C@@H]1C(=O)N(c3ccc(C(=O)O)cc3)C(=O)[C@H]21	68581387	JMXRYIGHKWRUFH-FJZMVRBOSA-N	586.553	2.524	0	40	KFAB	
Cc1coc2cc3oc(=O)c(CCC(=O)NCCCC(=O)N4CCC(C(=O)NCCC(=O)O)CC4)c(C)c3cc12	97956978	AUSDQNBZJDXJOP-UHFFFAOYSA-N	553.612	2.815	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3Cl)OCO4)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	97964088	YAXLPTWBQVZUTB-QZKYQMIZSA-N	526.954	2.909	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN(c3ccc(F)cc3)S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1	113635343	AWWULKBGMOBYAZ-UHFFFAOYSA-N	589.667	2.634	0	40	KFAB	
CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	223220471	FUPFYQSKZIBZQF-GDLZYMKVSA-N	595.718	2.871	0	40	KFAB	
CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223455605	UPDRHHUVWGCXRS-JOCHJYFZSA-N	533.647	2.566	0	40	KFAB	
COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@H](C(=O)NCc2ccccc2OC)c2ccccc2)cc1	260716991	HPPBUQDZBDNCGO-MHZLTWQESA-N	539.654	2.982	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	261050269	ZZEYXGWDNIJHIQ-PMACEKPBSA-N	517.648	2.864	0	40	KFAB	
COC(=O)COc1c(I)cc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)cc1OC	409193873	GQBFKXYHAJKANL-SXGWCWSVSA-N	522.295	2.945	0	40	KFAB	
Cc1c(CCC(=O)N(C)CCC[C@H]2C(=O)N(C)CCCCc3ccccc3OCC(=O)N2C)cnn1C	643560204	FBJLAFWOQWETQB-DEOSSOPVSA-N	511.667	2.600	0	40	KFAB	
CC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)C[C@@H](C(=O)NCCCc2ccccc2)NC(=O)c2ccccc2OC[C@H](C)NC1=O	643573087	PILXHTXONJRDLX-PTCVRNIWSA-N	655.796	2.690	0	40	KFAB	
CCCC(=O)N[C@@](C(=O)OCC)(N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3CC)CC1)C(F)(F)F	4047796	LZHCZSQTKQSYSV-DEOSSOPVSA-N	558.529	2.719	0	40	KFAB	
CC(C)(C)CC(=O)N1C[C@@H](NC(=O)Nc2ccc(F)cc2F)C[C@H]1C(=O)N[C@H](Cc1ccccc1)C(N)=O	4200894	GTCIHOBHVWHHBM-BWAGFHJFSA-N	529.588	2.705	0	40	KFAB	biogenic,in-vitro
CO[C@@H]1CC[C@H](O)c2c1oc1c3c4c(c(O)c1c2=O)-c1c(cc2cc(C)n(N)c(=O)c2c1O)C[C@H]4OCO3	14416059	PUQUSQASXBNKCW-BFHYXJOUSA-N	520.494	2.687	0	40	KFAB	biogenic,in-vitro
NS(=O)(=O)c1ccc(CNC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	59837662	NUOJSTXHVSYRJD-UHFFFAOYSA-N	526.011	2.634	0	40	KFAB	
COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(-n3cnnn3)c(OC)c2)cc1OC	100335703	VUQCPGPFURAGCG-RCRUUEGKSA-N	627.662	2.503	0	40	KFAB	
COc1ccc(OC)c(C[C@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3cccc4ccccc34)CC2)c1	100468806	LGFSJCOYYXOJMB-VWLOTQADSA-N	539.654	2.874	0	40	KFAB	
COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1OCOc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)OC	100926322	DZZVWUKYFKIDGP-ZRZAMGCNSA-N	536.541	2.704	0	40	KFAB	
CCN(CC(=O)NCc1ccc(F)cc1)C(=O)COC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1	103098207	QMEKYGCJCUWTGU-UHFFFAOYSA-N	547.649	2.641	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1OCC)S(C)(=O)=O	225019623	DOZMZSSQFLLCBX-LJQANCHMSA-N	505.637	2.803	0	40	KFAB	
O=C(CN1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1)N1CCC(C(=O)O)(c2ccccc2)CC1	244933350	CMZSSCYERCPRMK-UHFFFAOYSA-N	554.647	2.698	0	40	KFAB	
COc1c2c(c(C)c3c1C(=O)OC3)O[C@]1(C)C[C@H](O)[C@@]34O[C@@](OC)(C[C@H](OC(C)=O)[C@@]3(C)[C@H]1C2)OC4(C)C	247978456	WDGSJYYXVXQQHP-LYJPSTPZSA-N	532.586	2.955	0	40	KFAB	endogenous,in-man
COc1ccc(N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)S(=O)(=O)c2ccccc2)cc1OC	409127807	QKPBRLOIVSATBW-UHFFFAOYSA-N	533.628	2.934	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)N4CCOCC4)cc3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC	409155557	LRZPMFAXGOGBOO-KLKBWYFJSA-N	612.104	2.698	0	40	KFAB	
CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(Br)c1OCC(=O)O	409400357	PBXBWFLBMFULQT-AUWJEWJLSA-N	523.292	2.784	0	40	KFAB	
Cc1nc2ccc(NC(=O)CN3CCC[C@]4(CC=CCOc5ccccc5C(=O)NCCNC4=O)C3)cc2[nH]1	2037879764	PAMXDRCAOMWNGS-GDLZYMKVSA-N	530.629	2.777	0	40	KFAB	
COc1cc([C@H]2Nc3cc(Cl)c(S(N)(=O)=O)cc3S(=O)(=O)N2)ccc1OCc1ccccc1	3219914	ARZHLHMSIDTNNH-NRFANRHFSA-N	509.993	2.978	0	40	KFAB	
COc1ccccc1N1CCN(C(=O)[C@H]2CN3CC[C@@H]2C[C@@H]3Cn2cc(CN(C)Cc3ccccc3)nn2)CC1	8254027	HNWHIKFOCPGCJE-KZQOYIJHSA-N	543.716	2.978	0	40	KFAB	biogenic,in-vitro
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CCCN(c3ccc(F)cc3)S(C)(=O)=O)cc2)n1	20451110	NLMPOOQQOKGUFE-UHFFFAOYSA-N	521.596	2.910	0	40	KFAB	
CCN(C(=O)COC(=O)C12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	32666496	ISQAGXLWQVNNMG-LJQDGHHOSA-N	515.010	2.641	0	40	KFAB	
CC(C)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	38142052	PBUNVLRHZGSROC-LIDJHAAMSA-N	577.726	2.521	0	40	KFAB	
COC(=O)[C@@H]1O[C@H](Oc2ccc3c(c2)CCc2ccccc2N3CCCN(C)C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	77300533	FSOVDPMPLUSAKI-LPSMZVTISA-N	612.676	2.947	0	40	KFAB	in-vitro
O=C(c1ccccc1S(=O)(=O)C(F)F)N1CCN(c2ncnc3c2nnn3-c2ccc(Cl)cc2)CC1	97994530	SXWHREKUQJJCSH-UHFFFAOYSA-N	533.948	2.823	0	40	KFAB	
CCOC(=O)c1ccc(NC(=O)CN2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H]5Sc6[nH]c(=O)sc6C(C)(C)[C@H]45)[C@@H]3C2=O)cc1	101273402	CPTVKKABNVQKSK-XVPOXYMYSA-N	541.651	2.871	0	40	KFAB	
CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)OCC(=O)Nc1cccc(S(N)(=O)=O)c1	103060078	DEPGWHSCTMTGEF-KRWDZBQOSA-N	534.443	2.674	0	40	KFAB	
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(CS(=O)(=O)N4CCOCC4)cc3)cc2)cc1	215949017	RQORUCYOIJZPSM-UHFFFAOYSA-N	545.639	2.910	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	222560226	QPAVQXKWKAATPH-VWLOTQADSA-N	557.644	2.995	0	40	KFAB	
Cc1[nH]c(C)c([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1I	223128027	KUXIWIIDPORNNN-RTBURBONSA-N	511.433	2.936	0	40	KFAB	
C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	224075584	OUIAZFONWQPPOE-QGZVFWFLSA-N	510.607	2.910	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C)cc1	224465115	DVQFZEDADQRKNT-FQEVSTJZSA-N	519.664	2.968	0	40	KFAB	
COCCn1c(C)cc(CN2CCO[C@@](COc3ccc(F)cc3)(CC(=O)N3CCN(C)CC3)C2)c1C	257330360	XOATXPQLIYWDSG-NDEPHWFRSA-N	516.658	2.705	0	40	KFAB	
COc1ccc(CN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)[C@H](C(=O)NCCCO)c2ccccc2)cc1	260714542	CWQGGPFBDIDYFO-NDEPHWFRSA-N	553.681	2.726	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1ccccc1F)[C@H](C)C(=O)NCC(C)C)c1ccc2c(c1)OCO2	260962520	YNZKOMAJZGAFEH-GOSISDBHSA-N	521.611	2.900	0	40	KFAB	
Cc1ccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3cccc(C(=O)N4CCOCC4)c3)n2C)cc1	409358257	LAMCSVYZUZQMAP-GOSISDBHSA-N	522.631	2.818	0	40	KFAB	
C[C@@H]1NC(=O)C[C@@H](C(=O)NCc2ccc(CN3CCCC3=O)cc2)NC(=O)c2ccccc2OC[C@H](Cc2ccccc2)N(C)C1=O	643565577	JJJKJILKZZLIDJ-GVTDLTHXSA-N	639.753	2.581	0	40	KFAB	
COc1cccc(CN2CC(=O)N3CC[C@@H](CC(=O)N4CCN(C=O)CC4)[C@@H](C=CCOc4ccccc4C2)C3)c1	958317685	DFXVLYQGISCCNV-SVBPBHIXSA-N	560.695	2.801	0	40	KFAB	
COc1ccc(CNC(=O)[C@@H](Cc2ccccc2)NC(=O)C2CCN(C(=O)[C@H](N)CC(C)C)CC2)cc1	15972619	ABBQZJVLQUVQLN-CLJLJLNGSA-N	508.663	2.651	0	40	KFAB	
COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1N1CCCC1=O	20460553	GPXWFPQJVKYQJU-UHFFFAOYSA-N	502.574	2.819	0	40	KFAB	
Cc1cccc(C)c1NC(=O)CN(C)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	32966543	PPZJDXXJWXIXLJ-UHFFFAOYSA-N	501.605	2.572	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)C2)cc1Cl	59838608	REGBBRLCTHRSMU-IBGZPJMESA-N	556.106	2.850	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@@H](C(=O)NC[C@H]3CCCO3)c3ccc(C)o3)n2)cc1OC	100277696	BIHDQZRBDFXRFY-FQRUVTKNSA-N	564.599	2.917	0	40	KFAB	
NS(=O)(=O)c1ccc(NC(=O)[C@@H]2Sc3[nH]c(=O)sc3[C@@H]3c4cc(Br)ccc4OC(=O)[C@@H]32)cc1	100912555	GVXFLXRNUUZJOC-QLFBSQMISA-N	568.452	2.626	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2	222804198	VXENCRLWPORTQE-IBGZPJMESA-N	571.627	2.964	0	40	KFAB	
CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@@H](C)C(=O)NC[C@@H]2CCCO2)cc1	222947408	JFENJXCGDWAIML-RDPSFJRHSA-N	531.675	2.639	0	40	KFAB	
CC(=O)N1CCCc2cc(S(=O)(=O)NCCOc3ccc(S(=O)(=O)N4CCCCC4)cc3)ccc21	224418772	COGLZJYBIKLEJQ-UHFFFAOYSA-N	521.661	2.518	0	40	KFAB	
CS(=O)(=O)N(CCc1ccccc1)CC(=O)N1C[C@@H](C(=O)NCCc2ccccc2)Oc2ccccc21	226040028	WDZAIEJMDRJITH-SANMLTNESA-N	521.639	2.644	0	40	KFAB	
CCN(CC(=O)N1C[C@@H](C(=O)NCc2ccccc2)Oc2ccccc21)S(=O)(=O)c1ccc(F)cc1	226056377	WRRNQQXIYRTOSP-DEOSSOPVSA-N	511.575	2.947	0	40	KFAB	
COc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)NCCSc1nc(C)n[nH]1)Cc1ccccc1	226066727	ADAUULYJNCDUPE-UHFFFAOYSA-N	510.041	2.875	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N(C)CC(=O)N2C[C@H](C(=O)NCCc3ccccc3)Oc3ccccc32)cc1	260833533	YAEXEPUKHPLFAU-AREMUKBSSA-N	537.638	2.859	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/[C@H]3C(=O)NC(=S)N(c4ccccc4)C3=O)c(=O)n2[C@H]1c1ccccc1OC(C)C	408824546	IFCWJTMGFYCRNE-IOPIHVHOSA-N	604.710	2.601	0	40	KFAB	
COCCNC(=O)[C@@H](c1ccc2ncccc2c1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(F)cc1	6136202	XPYPYARGCHRCDP-OAQYLSRUSA-N	522.562	2.662	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@@H](C(=O)NC3CCCC3)c3ccc(F)cc3)n2)cc1	7060450	DBMFIDQOCUGPNX-MUUNZHRXSA-N	579.677	2.839	0	40	KFAB	
COC(=O)c1cc(NC(=O)CCCC(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)cc(C(=O)OC)c1	8432248	MSGZWKWKRRGOMD-UHFFFAOYSA-N	514.487	2.581	0	40	KFAB	
COC(=O)C1=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H](c2cccc(Br)c2)n2nnnc2N1	10232387	BYCSXYIOWNLBDU-GOSISDBHSA-N	500.309	2.778	0	40	KFAB	
COc1ccc(N(CCCC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)S(C)(=O)=O)cc1Cl	10328937	UERXCBPZNWGKGE-UHFFFAOYSA-N	504.030	2.929	0	40	KFAB	
CCOC(=O)C1=C(CSc2nnc(COc3ccccc3F)n2N)NC(=O)N[C@H]1c1ccc(C)o1	12735821	GSINLBATFZRCLZ-IBGZPJMESA-N	502.528	2.575	0	40	KFAB	
COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4ccccc4)CC3)cc2c1	19940655	GMYAKHDNHCYAPM-DHLKQENFSA-N	501.591	2.614	0	40	KFAB	
CC(C)[C@H]1OC(=O)/C=C\C=C/C=C\C=C/C=C/C[C@@H](O)[C@@H](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	57680533	GBVIQYQFMPWELT-KVJMMADFSA-N	650.850	2.795	0	40	KFAB	in-vitro
CCOc1cc([C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]2[C@@H]2C[C@@H]3[C@H]3C(=O)N(CCCC(=O)O)C(=O)[C@@H]32)ccc1O	101175657	ZFUKKOJNNQZJMT-BOQCZJJBSA-N	530.624	2.879	0	40	KFAB	
CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	223873952	JYVOFOCNWUVQHJ-SFHVURJKSA-N	521.611	2.697	0	40	KFAB	
CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	224211006	ZYKVDGOIHIVBDT-QFIPXVFZSA-N	517.648	2.866	0	40	KFAB	
CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	225092977	ZEPKIIDEZNGZEM-JOCHJYFZSA-N	517.648	2.948	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1	225550907	VGAOSQXOWGIYCD-QGZVFWFLSA-N	512.053	2.580	0	40	KFAB	
COc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1S(=O)(=O)N1CCCCC1	225569113	ZEDKCWSMNYXNHQ-UHFFFAOYSA-N	507.634	2.907	0	40	KFAB	
C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)[C@H](O)C[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)CN([C@H](CCC(=O)O)C(=O)O)C3=O	257809836	DIVSBLPHAPTLNH-URTFOWQMSA-N	531.602	2.544	0	40	KFAB	biogenic,in-vitro
Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1	408526829	CNSHVKUXGSTWHD-UHFFFAOYSA-N	537.638	2.925	0	40	KFAB	
CC(=O)Nc1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1	408684398	JWZBWNMJOLDVTI-DWBCCHGXSA-N	503.555	2.769	0	40	KFAB	
COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(=O)O)cc3)c(=O)n2[C@H]1c1ccccc1OC(C)C	409016591	QMGGIWPTBAEMPX-NLZIUFDSSA-N	536.606	2.910	0	40	KFAB	
COc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)NCCc3ccc(OC)c(OC)c3)cc2)cc1OC	409195266	OAMVZAPFLFCANJ-UHFFFAOYSA-N	558.653	2.980	0	40	KFAB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(I)c(O[C@@H](C)C(=O)OC)c(OC)c3)C2=O)o1	409400528	SLVBBXUIIIQHNQ-LWHXSLQUSA-N	584.319	2.713	0	40	KFAB	
O=C(c1ccc(F)cc1)N1CCCCC2(CCN(Cc3ccncc3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1	643578025	LOKKHMSAMHYODD-LOSJGSFVSA-N	513.610	2.784	0	40	KFAB	
CCOC(=O)[C@](NC(=O)CC)(Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1)C(F)(F)F	5729441	KLUIQDRJVHIQPX-LJQANCHMSA-N	503.503	2.654	0	40	KFAB	
COc1ccc2c(C)c(CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)NCCC(=O)O)c(=O)oc2c1C	8791305	UWLDKWHVHYUHHI-QFIPXVFZSA-N	519.554	2.761	0	40	KFAB	biogenic
NC(=S)c1ccc2c(c1)OCCOCCOCCOc1ccccc1OCCOCCOCCO2	8892757	NVOWBWJGDPRNAY-UHFFFAOYSA-N	507.605	2.616	0	40	KFAB	
COc1cc(C)c(S(=O)(=O)NCCc2cn(S(=O)(=O)c3cc(C)c(OC)cc3C)cn2)cc1C	12445226	FFJDXYSUENSRBH-UHFFFAOYSA-N	507.634	2.892	0	40	KFAB	
COc1ccc(C2=NN(C3=NC(=O)[C@H](CC(=O)N[C@@H](C)C(=O)O)S3)[C@@H](c3ccc(OC)cc3)C2)cc1	28158366	WEYOLFCKSUGEQQ-DLPLYFIVSA-N	510.572	2.832	0	40	KFAB	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1	66104322	HNGMMZNXEQZJIO-UHFFFAOYSA-N	550.703	2.591	0	40	KFAB	
CC(C)NC(=O)c1ccccc1NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	100294474	DTBRRTAXHQLEKN-VWLOTQADSA-N	570.693	2.527	0	40	KFAB	
CCOC(=O)[C@@H]1[C@@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C\c3ccc(OC(F)F)c(OC)c3)c(=O)n12	100935965	PRFFIEARIFXACY-NGOPWTJTSA-N	516.522	2.859	0	40	KFAB	
CC(=O)N1CCN(c2ccc(NC(=O)CSc3nnc([C@H](C)N4C(=O)COc5ccccc54)n3C)cc2)CC1	101068782	YIFVERPOOUVFOR-SFHVURJKSA-N	549.657	2.701	0	40	KFAB	
Cc1cc2oc(-c3cc(C(=O)N4CCC[C@H]4C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)cc4c3OCOC4)cc(=O)c2cc1C	102013643	CFKSVMVGALEHAP-DQEYMECFSA-N	618.687	2.680	0	40	KFAB	
CC(C)Cn1c(N)c(C(=O)CSc2nnc(-c3ccccc3)n2Cc2ccc3c(c2)OCO3)c(=O)n(C)c1=O	103133673	GIADIGANVFDNSO-UHFFFAOYSA-N	548.625	2.796	0	40	KFAB	
C[C@H](C(=O)NCc1ccncc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222779949	MDDLZKHXVLENOS-OAQYLSRUSA-N	587.098	2.868	0	40	KFAB	
COCCNS(=O)(=O)c1ccc(OCC(=O)N2C[C@@H](C(=O)NCc3ccccc3)Oc3ccccc32)c(Cl)c1	222835604	JIYIQGWFNTUIJV-VWLOTQADSA-N	574.055	2.754	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1	223227357	AROWBQQPHDPVTI-UHFFFAOYSA-N	529.659	2.876	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O	223993549	ZQIQTYGYWOMKRB-SFHVURJKSA-N	519.620	2.524	0	40	KFAB	
CC[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O	224485875	KLCQNBYKSFGFGV-NRFANRHFSA-N	594.539	2.754	0	40	KFAB	
CCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	225380819	FWDKSVSWWDJLEL-QHCPKHFHSA-N	547.674	2.956	0	40	KFAB	
COc1ccc(C)cc1S(=O)(=O)N(CCc1ccccc1)CC(=O)Nc1ccc(S(N)(=O)=O)cc1	408623512	RTZPRWQDIRJWRD-UHFFFAOYSA-N	517.629	2.523	0	40	KFAB	
CC(=O)Nc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3Cl)C2)cc1	408661338	VLZAZCQDMGAYGW-CYBMUJFWSA-N	507.330	2.627	0	40	KFAB	
COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OCC(N)=O)c(OC)c4)c(=O)n32)c(OC)c1	408978889	OGEIFKGJFXHWCV-DLJDGCESSA-N	614.680	2.764	0	40	KFAB	
CCCOc1c(OC)cccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(C(=O)O)cc3)c(=O)n21	409019723	WVKCARNGFRQKLX-GOOXQAOHSA-N	566.632	2.920	0	40	KFAB	
CCOc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)ccc1OCC(=O)O	409042365	KJEMPKPWHBRENW-WNOSOOIWSA-N	522.579	2.660	0	40	KFAB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(OCC(=O)N4CCOCC4)c(Br)c3)C2=O)o1	409402093	VEZCNMOLUFKSRM-YVLHZVERSA-N	582.791	2.813	0	40	KFAB	
CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[C@H](c1ccc(O)c(OC)c1)c1oc(C)cc(=O)c1O	524731325	STVSJTBRSLSJQF-TZIWHRDSSA-N	519.554	2.845	0	40	KFAB	biogenic
CC(C)(CNC(=O)[C@@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)NCCOc2ccccc2C(=O)N1)c1ccc(F)cc1	643566884	YTLFNXOVVMFTIN-UIOOFZCWSA-N	574.653	2.644	0	40	KFAB	
COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)c(OC)c1	6924547	FOGDZCVUHZBWGW-VGOFRKELSA-N	557.604	2.664	0	40	KFAB	
COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(OC)cc2)cc1	7059778	VGDFQLJTRJMZHT-SIKLNZKXSA-N	539.614	2.525	0	40	KFAB	
NS(=O)(=O)c1cccc(NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C[C@@H]2CCCO2)c1	12529889	NKLMWMNFYPPPOG-INIZCTEOSA-N	512.617	2.984	0	40	KFAB	
Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc(N4CCCS4(=O)=O)cc3)CC2)c1C	12696966	FLRNMHRQSVDGHV-UHFFFAOYSA-N	505.662	2.607	0	40	KFAB	
COc1ccc(-c2nn3c(=O)cc(CN4CCN(C(=O)c5ccc6c(c5)OCO6)CC4)nc3s2)cc1	41085910	OQGZNAZEYBDQQQ-UHFFFAOYSA-N	505.556	2.513	0	40	KFAB	
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3Cl)S(C)(=O)=O)cc2)n1	44900788	SOJKEUMUUYKRSZ-UHFFFAOYSA-N	509.997	2.644	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC(=O)CN1C(=O)N[C@@]2(C[C@@H](C)CC(C)(C)C2)C1=O	95567793	YTUHNNRCUNSYIW-XRHLQHRESA-N	562.689	2.788	0	40	KFAB	
CCOC(=O)c1oc2cc(OC[C@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)ccc2c(=O)c1-c1cscn1	97983362	PVMPTMQZVPQGRW-YFJRANGKSA-N	661.638	2.598	0	40	KFAB	
COC(=O)C1CCN(C(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)CC1	100073033	XNTVIMMPLZNSFT-UHFFFAOYSA-N	542.395	2.898	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2cccc(C(C)=O)c2)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)cc1	223077439	UYWCIGMZEFPENG-SFHVURJKSA-N	517.648	2.996	0	40	KFAB	
CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O	223390822	RUIKJXIDBLBNHV-HXUWFJFHSA-N	512.028	2.677	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223543096	BMOWWBKKAFJSPN-FQEVSTJZSA-N	517.648	2.600	0	40	KFAB	
C[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O	224253316	WRYKTFUQBLZATA-CQSZACIVSA-N	538.475	2.593	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccc(Cl)cc43)c(=O)n2[C@H]1c1cc(OC)ccc1OC	409111000	AOCZPLRNSGBNJP-AGGMBTAESA-N	539.997	2.791	0	40	KFAB	
O=C(C[C@@]1(COc2cccc(Cl)c2)CN(C(=O)c2cnc3ccccc3n2)CCO1)N1CCOCC1	585287461	XGVSJCSMVZTHGW-SANMLTNESA-N	510.978	2.822	0	40	KFAB	
COCC(=O)N1C[C@H](CC(C)C)N(C(=O)c2ccc(C(C)(C)C)cc2)CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)C1	643551603	ZCKWOFZTCVXWEQ-QALYSUAOSA-N	550.737	2.863	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OC	665449	BIFPIFLIZPBHNY-IGSWSUAKSA-N	522.579	2.741	0	40	KFAB	
COc1cccc(-n2c(SCC(=O)NCC(F)(F)F)nnc2-c2cccc(S(=O)(=O)N(C)C)c2)c1	2618523	PTFXVURURJLFBA-UHFFFAOYSA-N	529.566	2.964	0	40	KFAB	
COc1cc([C@H]2c3cc4c(cc3[C@H](OC(=O)CCC(=O)O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC	4777979	FQGIDCZRZSKLJZ-IZQPNQBMSA-N	514.483	2.825	0	40	KFAB	
Cc1ccc(C(=O)N2CCN(C(=O)[C@@H](NC(=O)c3ccccc3)S(=O)(=O)c3ccccc3)CC2)cc1	9764205	YHEKKFHGBDMSAA-VWLOTQADSA-N	505.596	2.509	0	40	KFAB	
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3cccc(Cl)c3)CC2)N[C@H]1c1ccc(OC)cc1OC	10157503	NLWYQXZHLJPCAV-VXKWHMMOSA-N	500.983	2.886	0	40	KFAB	
O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1	12621850	UKRIIUOPTLIGIU-UHFFFAOYSA-N	506.588	2.786	0	40	KFAB	
CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)Oc2ccccc21	19932419	LKWRRICIIKCFCX-NRFANRHFSA-N	505.549	2.792	0	40	KFAB	
O=C1[C@H]2[C@@H](C(=O)N1C[C@H]1CCCO1)[C@@H](Cc1c[nH]c3ccccc13)N[C@@]21C(=O)Nc2ccc(Cl)cc21	20567760	DRZILLRKJDQDCB-KXFRMMEESA-N	504.974	2.963	0	40	KFAB	
COc1ccc(CN(C)C(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)c(OC)c1OC	66122781	NBFGNFBKWSIWNB-UHFFFAOYSA-N	526.571	2.955	0	40	KFAB	
O=C(Cn1cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)c2ccccc21)Nc1ccc2c(c1)OCO2	106710846	LNZGCYYZNKITQO-KSEXSDGBSA-N	548.577	2.904	0	40	KFAB	
CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3OC)C2)c1	222598961	DXXGZYYWSLORPC-OAHLLOKOSA-N	516.041	2.605	0	40	KFAB	
Cc1ccc(S(=O)(=O)NCCNC(=O)COc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2Cl)cc1	222820695	SLCDUFGAIDPHEW-UHFFFAOYSA-N	564.085	2.873	0	40	KFAB	
CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	223700306	QFEFYQQJGDLTJZ-NRFANRHFSA-N	517.648	2.946	0	40	KFAB	
Cc1ccc(N([C@@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)cc1	224374886	IHLPPACCWCMAMW-FQEVSTJZSA-N	523.677	2.519	0	40	KFAB	
CC(=O)c1cccc(N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c1	224500988	XMHHGYSEJOBIBR-FQEVSTJZSA-N	501.649	2.887	0	40	KFAB	
C[C@H](C(=O)NC1CCCC1)N(Cc1cccc(Cl)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	224657058	WHMFPZXIHZZETI-MRXNPFEDSA-N	504.008	2.961	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1	225508750	JQJROVCBVZJYEE-GOSISDBHSA-N	507.634	2.519	0	40	KFAB	
CN(c1cccc(NS(=O)(=O)c2nnc(NC(=O)c3ccccc3Cl)s2)c1)S(C)(=O)=O	225632386	BLLKBBULWOTWSK-UHFFFAOYSA-N	501.999	2.640	0	40	KFAB	
COCCNC(=O)C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1CN(C(=O)c1ccccc1)CC2=O	253403152	PJSLYUXGUAEFLM-ZKSOPHRKSA-N	505.615	2.895	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)n(C)c(=O)n4C)c(=O)n2[C@@H]1c1ccccc1Cl	409086120	YNSMZCDTNSZFTF-VLOXRPPESA-N	523.014	2.642	0	40	KFAB	
CCOC(=O)[C@@H](C)Oc1c(OC)cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1OC	409402548	WOKAZIFFKXYPIS-WPBJZHHJSA-N	502.476	2.507	0	40	KFAB	
CC(C)C[C@H]1COc2ccc(Cl)cc2C(=O)NCCCCN(C(=O)c2cnc(N(C)C)nc2)CC(=O)N1	643556770	QDJNVMALWNWHLC-FQEVSTJZSA-N	531.057	2.772	0	40	KFAB	
CCCN1CCC2(CCOc3cc(-c4ccc(F)cc4F)ccc3S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)N2)CC1	1548891144	XYFVWJDPGABYCZ-OFNKIYASSA-N	549.640	2.899	0	40	KFAB	
COCCNC(=O)[C@H](c1c[nH]c2ccccc12)N(Cc1cccs1)C(=O)c1snc(C(N)=O)c1N	6905033	HEOVLEUXSOJTHD-IBGZPJMESA-N	512.617	2.513	0	40	KFAB	
CN(Cc1ccccc1)c1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccc(Cl)cc1Cl	10386395	VTSCVRRDVPJJMV-MRXNPFEDSA-N	504.374	2.806	0	40	KFAB	
CSCC[C@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1C)CCCC3)C(=O)NCCCC(=O)O	11866884	KCQIVKQDDMAZTL-IBGZPJMESA-N	504.605	2.578	0	40	KFAB	
CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N(C)C)cc3)cc2)cc1	59851865	VEYXYZPNCNIQIB-UHFFFAOYSA-N	547.655	2.832	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCO5)coc3c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	103692586	MJRFCSQUAHKKFK-KVJCXPBNSA-N	626.567	2.693	0	40	KFAB	
Cc1[nH]c(C)c([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1I	223128126	KUXIWIIDPORNNN-RBUKOAKNSA-N	511.433	2.936	0	40	KFAB	
O=C(NCc1ccc(CN2CCOCC2)cc1)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1	224558803	MSDAFMDIPLYLND-SANMLTNESA-N	507.612	2.792	0	40	KFAB	
CC(C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	224700769	XZILFVMNKGJXDB-INIZCTEOSA-N	536.448	2.926	0	40	KFAB	
COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1S(=O)(=O)N1CCCCC1	225509872	OYKNVLZSOFODMD-IBGZPJMESA-N	521.661	2.909	0	40	KFAB	
O=C(CN1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1)N1CCO[C@H](c2ccccc2)C1	244975218	IGYDJBQENRYITF-SANMLTNESA-N	512.610	2.654	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	260947789	JMFRSNBCYXNINQ-PMACEKPBSA-N	519.664	2.844	0	40	KFAB	
Cc1cc(NC(=O)COc2ccc(N3C[C@H](C(=O)NCCCN4CCOCC4)CC3=O)cc2)ccc1Br	408580113	QBQCOAQBHMVDQL-HXUWFJFHSA-N	573.488	2.966	0	40	KFAB	
CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)c(Br)cc1OCC(=O)O	409234107	LYBFAJPFLUMSTR-LZYBPNLTSA-N	548.346	2.851	0	40	KFAB	
COc1cc(CCC(=O)N2CCO[C@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCOCC3)C2)on1	585282780	APUYGYIRRACJMO-RUZDIDTESA-N	521.998	2.503	0	40	KFAB	
COCC(=O)N1CCN(CC2(O)CCN(c3ccc(C)cc3)CC2)C[C@](O)(COc2ccc(C)c(C)c2)C1	585284349	XBIDCAUENNQJJL-SSEXGKCCSA-N	525.690	2.544	0	40	KFAB	
CCOCCN(CCOCCOCCOCCOC)C(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1	616581115	WLMSIMXUWITMCV-UHFFFAOYSA-N	542.629	2.658	0	40	KFAB	
CC(C)[C@H]1NC(=O)[C@@H]2CCCN2C(=O)CC[C@@H](C(=O)NCC(C)(C)c2ccc(F)cc2)NC(=O)c2ccccc2OC[C@H](C)NC1=O	643568776	FVWRXYNUOSPNHP-QBUINJGOSA-N	651.780	2.827	0	40	KFAB	
COc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2cccnc2)C(=O)c2snc(C(N)=O)c2N)cc1	6156986	DMWPADSKOFJPDA-OAQYLSRUSA-N	508.604	2.670	0	40	KFAB	
CCOC(=O)CNC(=O)[C@@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc2ccccc12	6546771	LYQCFFDMYSLPQB-HSZRJFAPSA-N	547.593	2.750	0	40	KFAB	
Cc1sc2ncn3c(SCC(=O)Nc4ccc(S(=O)(=O)N5CCOCC5)cc4)nnc3c2c1C	12640654	BOCZUGPTFPFGHE-UHFFFAOYSA-N	518.646	2.708	0	40	KFAB	
C[C@@H](NC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)c1ccc(S(C)(=O)=O)cc1	59987433	BNMHGUWFPHFUBV-GOSISDBHSA-N	530.624	2.934	0	40	KFAB	
CCCc1nnc(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)s1	97954813	HTRJFDCFWICUFS-UHFFFAOYSA-N	530.470	2.505	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1	224465247	PAHLIDWAENURTF-LJQANCHMSA-N	620.577	2.751	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225538696	ARJJIRVITIFYHP-RUZDIDTESA-N	551.665	2.918	0	40	KFAB	
COc1ccc(N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c(OC)c1	260921194	SXBNASYWUWEKJI-HXUWFJFHSA-N	519.664	2.702	0	40	KFAB	
COC(=O)c1cc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3OC)C2)cc(C(=O)OC)c1	408584303	NYBICINPTGTIHI-AWEZNQCLSA-N	524.979	2.961	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccc(Cl)cc43)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	409119897	RJWDUBIYSDAXPU-GOBJLOIFSA-N	523.954	2.503	0	40	KFAB	
CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(I)c1OCC(=O)O	409399134	HYSFRJPGULYOMR-AUWJEWJLSA-N	570.292	2.626	0	40	KFAB	
CC(=O)N1CCCN(c2ncccn2)CCN(C(=O)COc2ccc3c(c2)OCCO3)Cc2ccccc21	643555066	SPYRNGPPPNBSDC-UHFFFAOYSA-N	517.586	2.919	0	40	KFAB	
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(C(=O)c3ccccc3)C2)cc1	3841314	CJDDFXPXMZKHDZ-AZUAARDMSA-N	506.584	2.867	0	40	KFAB	biogenic,in-vitro
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)OCO4)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	8858219	VBLLVOGFTHHTCY-KIHONOKQSA-N	508.552	2.544	0	40	KFAB	
CCc1nnc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)sc(=O)n4C)cc2)s1	12413628	NVHUWGNLGDBGCT-UHFFFAOYSA-N	511.632	2.616	0	40	KFAB	
COc1ccc(CCNC(=O)CCn2c(SCC(=O)N3CCCC3)nc3ccccc3c2=O)cc1OC	13496831	MGRODZIHZXYHLY-UHFFFAOYSA-N	524.643	2.877	0	40	KFAB	
COc1ccc2[nH]c(=O)c(CN(Cc3ccc4c(c3)OCO4)Cc3nnnn3C[C@@H]3CCCO3)cc2c1	57607853	HMDZTKMUPAPRMF-NRFANRHFSA-N	504.547	2.633	0	40	KFAB	
O[C@H](COc1ccc(OC[C@H](O)CN2CCN(Cc3ccccc3)CC2)cc1)CN1CCN(Cc2ccccc2)CC1	64693595	SUSCYIMTNZLQLZ-MEKGRNQZSA-N	574.766	2.802	0	40	KFAB	
O=C(NCCN1CCN(C(=O)c2ccc(Br)cc2)CC1)C(=O)Nc1ccc(Br)cc1	97945885	VIOZLYVYFCKQSM-UHFFFAOYSA-N	538.240	2.724	0	40	KFAB	
COc1ccccc1Cn1c(SCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)nc2ccccc2c1=O	103128964	BNPRFGFNSJVSHJ-UHFFFAOYSA-N	569.643	2.919	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	223172223	KWJUMAQHVQZHLN-HOTGVXAUSA-N	536.448	2.926	0	40	KFAB	
CCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O	225400710	OBEVXQIERNHGFB-HSZRJFAPSA-N	505.637	2.803	0	40	KFAB	
CCOC(=O)[C@H]1[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)OCC)[C@@](O)(C(F)(F)F)N[C@@]1(O)C(F)(F)F	248341801	ZVQCIDVGBSULAA-ZSBSYDTGSA-N	507.811	2.887	0	40	KFAB	
COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)OCO4)c(=O)n2[C@@H]1c1ccccc1OC(C)C	409011594	GNUJOZMNRSGARI-AQIZGWBQSA-N	536.606	2.941	0	40	KFAB	
CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3cc(Br)c(O)cc3O)c2=O)=N1	409031019	GHLJJRZYNWVDFC-JYWRCUDFSA-N	515.385	2.972	0	40	KFAB	
CCOC(=O)COc1cccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OCC(=O)OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)c1	409045875	JHCALNLOEXTJSV-JUSQWJSBSA-N	638.695	2.691	0	40	KFAB	
CC(C)[C@@H]1NC(=O)CC[C@@H](C(=O)NCC(C)(C)c2ccc(F)cc2)NC(=O)c2ccccc2OCCN(C)C1=O	643569197	MLTNBEJWSCPIQC-OZXSUGGESA-N	554.663	2.790	0	40	KFAB	
O=C(NCCS(=O)(=O)N1CCCC1)c1ccc2c(c1)CNCCCCCCCN2C(=O)c1cccnc1	643584295	ZBJWCLPFAQUCKS-UHFFFAOYSA-N	527.691	2.938	0	40	KFAB	
NC(=O)C[C@H]1CN(C(=O)c2cccc(-n3nc(C(F)(F)F)cc3O)c2)C[C@H]1OC(=O)c1ccccc1	643586898	JHFQRHLEZRTQTJ-FUHWJXTLSA-N	502.449	2.770	0	40	KFAB	
COC(=O)c1ccccc1NC(=S)N(CCN1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3	891230	MGIQSAJIRSAOKC-UHFFFAOYSA-N	538.626	2.617	0	40	KFAB	
CC[C@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1)c1cccc(O)c1	903574	FDOLJOXKLDINNK-OAQYLSRUSA-N	508.579	2.934	0	40	KFAB	
CCOC(=O)Cn1nnnc1CN(CCc1ccc(OC)c(OC)c1)Cc1cc2cc(C)cc(C)c2[nH]c1=O	926878	DDKUZZZKNOXNGR-UHFFFAOYSA-N	534.617	2.957	0	40	KFAB	
O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)Nc1c(F)c(F)c(F)c(F)c1F	3372063	HPKRRJWVCODGEV-UHFFFAOYSA-N	528.839	2.852	0	40	KFAB	
Cc1ccc(NC(=O)C[S@](=O)CC(=O)N(CC(=O)NC2CCCC2)c2ccc3c(c2)OCCO3)cc1	12473028	GBZJJIJFGDAQCH-PSXMRANNSA-N	513.616	2.545	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)N(c3cc(Cl)ccc3C)S(C)(=O)=O)CC2)cc1	13675831	MFLRFMKNQZBQQE-GOSISDBHSA-N	514.069	2.644	0	40	KFAB	
COc1ccc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4ccc(F)cc4)CC3)c(=O)[nH]c2c1	19940441	TWUBEGKCYDFNLS-RDGATRHJSA-N	519.581	2.753	0	40	KFAB	
COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Cc1ccccc1	59837915	OCZCPRDFBBRIGV-UHFFFAOYSA-N	587.720	2.532	0	40	KFAB	
CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O	222818666	YRJOUPBJXDCKTM-QHCPKHFHSA-N	505.637	2.802	0	40	KFAB	
CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	224368107	FIJKMUDGBUFYPH-HXUWFJFHSA-N	509.600	2.552	0	40	KFAB	
CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1ccc(I)cc1	408621357	RMXXBDOROJTUKQ-KRWDZBQOSA-N	557.410	2.605	0	40	KFAB	
COCC(=O)N1CCN(C[C@]2(O)CC[C@@H](c3ccccc3)CC2)C[C@@](O)(COc2cccc(F)c2F)C1	585288095	VZSMZWJWWHTSAM-ZGOJTZKKSA-N	518.601	2.954	0	40	KFAB	
CS(=O)(=O)N1CC[C@H](n2cc(C(=O)N3CCC4(CCCCc5ccccc5OCCCNC4=O)CC3)cn2)C1	643560625	XHXGCXGQLCPPLC-DEOSSOPVSA-N	557.717	2.624	0	40	KFAB	
O=C1COc2ccccc2C[C@H](O)[C@H](O)CC2(CCN(C(=O)c3cccc(OCCCN4CCCC4)c3)CC2)CN1	643566100	PDAQFMRSJQCLMG-WUFINQPMSA-N	565.711	2.637	0	40	KFAB	
C[C@H](OC(=O)[C@H](C)Oc1ccc(-c2coc3cc(O[C@H](C)C(=O)O[C@H](C)C(=O)O)cc(O[C@@H](C)C(=O)O[C@H](C)C(=O)O)c3c2=O)cc1)C(=O)O	2060993795	ZQYXYHRZMDDTPS-OXKKCRRXSA-N	702.618	2.811	0	40	KFAB	
COc1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N([C@@H](C)C(=O)OCC(=O)Nc2ccc(OC)cc2)C3=O)cc1	6166168	SNZUPFORBJPTLN-KRWDZBQOSA-N	589.557	2.666	0	40	KFAB	
CC(C)(C)n1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(c2ccc(O)cc2)CC1	20084239	ZJIOYHPVTMWVOH-HSZRJFAPSA-N	503.563	2.616	0	40	KFAB	
CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)Oc2ccc(Cl)cc21	38850425	XQNMMELIJUZURG-FQEVSTJZSA-N	514.025	2.680	0	40	KFAB	
O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl	216492183	CKDGNICPUGFNEE-UHFFFAOYSA-N	522.008	2.968	0	40	KFAB	
C[C@H](C(=O)NCc1ccc2c(c1)OCO2)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222703139	BYNORLGVCZMMLN-JOCHJYFZSA-N	595.674	2.549	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223589095	AZWWOWKSWGPECM-HXUWFJFHSA-N	517.648	2.866	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	260880089	BWSALSZQZKZOOG-OALUTQOASA-N	535.663	2.810	0	40	KFAB	
CCOc1ccc(N([C@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)cc1	260885927	AVADHEMXIXBTQE-HXUWFJFHSA-N	553.703	2.610	0	40	KFAB	
COc1cccc(OC)c1C(=O)NN1C[C@@H](C(=O)OCC(=O)Nc2ccc(Br)c(Cl)c2)CC1=O	408661503	WCDYBIYWQOXXIO-LBPRGKRZSA-N	554.781	2.795	0	40	KFAB	
COc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc1I	409241026	WJIDMRLKVQOTHO-XNTDXEJSSA-N	507.284	2.840	0	40	KFAB	
CCn1nc(C(=O)N2CCO[C@]3(CCCCc4ccccc4OCCN(C)C3=O)C2)c2ccccc2c1=O	643556484	KKAIWVLXMSJFOQ-GDLZYMKVSA-N	518.614	2.891	0	40	KFAB	
Cc1cc(C)n(C)c(=O)c1C(=O)N1CCC2(CCCCNC(=O)c3ccccc3OC[C@@H](C)NC2=O)CC1	643561055	ZETKGYKPJZCDCH-HXUWFJFHSA-N	522.646	2.722	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3OC(C)=O)c(=O)n2[C@H]1c1cccs1	2058823	ZRQWIVXUGDLUOS-IYMWYRQMSA-N	526.592	2.710	0	40	KFAB	
COc1ccc(CNC(=O)CCCCCn2c(SCC(N)=O)nc3cc4c(cc3c2=O)OCO4)cc1	4175757	ASQNQIZSQAWWTH-UHFFFAOYSA-N	512.588	2.588	0	40	KFAB	
CCOC(=O)N[C@](C)(CC[C@](C)(NC(=O)OCC)[P@](=O)(O)Nc1ncccn1)[P@](=O)(O)Nc1ncccn1	5662720	WUYHCCRNYMDCJS-BGYRXZFFSA-N	574.472	2.866	0	40	KFAB	
CCOCCCN(C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1)[C@H](C(=O)NC[C@H]1CCCO1)c1ccc(F)cc1	6600060	KDAFWEVEVOUTAR-KCWPFWIISA-N	584.649	2.788	0	40	KFAB	
Cc1ccc(S(=O)(=O)NC(=O)NCCCCCCCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1	16310173	KFLCEMJMUQOWAX-UHFFFAOYSA-N	524.665	2.930	0	40	KFAB	
COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O	20110313	VCEYCDKMHHLDAO-AWEZNQCLSA-N	504.030	2.829	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1C(=O)N1CCC(C)CC1	113632429	GHSJXOIZAFPJRJ-UHFFFAOYSA-N	535.688	2.571	0	40	KFAB	
CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	222841830	QVKKWUFNKWLYQT-NRFANRHFSA-N	501.605	2.562	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	224717747	KQRAUSSJIAAFCQ-LJQANCHMSA-N	505.637	2.722	0	40	KFAB	
COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3cccc(CN4CCOCC4)c3)Oc3ccccc32)cc1	224740885	WZFSLNAHVCULSW-MHZLTWQESA-N	537.638	2.800	0	40	KFAB	
CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O	225690355	WTVZKCQMWXDSBH-SFHVURJKSA-N	503.596	2.940	0	40	KFAB	
COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1	226077059	IORBEGGKIDUFBL-UHFFFAOYSA-N	549.715	2.548	0	40	KFAB	
COc1ccc(OC)c(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)c1	260754874	RFIDTJPKJICKEI-QGZVFWFLSA-N	509.600	2.551	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)[C@H](C)C(=O)NC(C)(C)C)cc1	260766393	GQRIHWIWMODMDQ-GOSISDBHSA-N	522.643	2.779	0	40	KFAB	
CCOc1c(OC)cccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(C(=O)O)cc3)c(=O)n21	409010244	BSWOFUKIMSOZRM-QFVBLGFASA-N	552.605	2.530	0	40	KFAB	
O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4cc(C5CCCC5)ccc41)CC[C@@H]3O)N(Cc1cccnc1)C2	514287528	IQGYTQGCPVQHHL-INWNYEGYSA-N	548.684	2.919	0	40	KFAB	
CO[C@@H]1CCCN(C(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)Cc2ccccc2OCc2ccccc2)[C@H](C)O)[C@@H]1CCC(=O)N[C@@H](CCCCN)C(=O)O	643551897	OVPGPJFYRLSSDY-IOGIRJJOSA-N	787.955	2.886	0	40	KFAB	
COc1ccc(CC(=O)N2CCCN(C(C)C)CCN(C(=O)[C@@H]3COCCN(S(=O)(=O)N(C)C)C3)Cc3cccc(C)c32)cc1	643567114	REMJQHYQNGCRCG-LJAQVGFWSA-N	643.851	2.777	0	40	KFAB	
COc1ccc(CNC(=O)C[C@H]2N=C3c4ccccc4N=C(SCC(=O)Nc4cc(C)n[nH]4)N3C2=O)cc1	2968419	SHVJPPFNUQWAPA-HXUWFJFHSA-N	531.598	2.764	0	40	KFAB	
NS(=O)(=O)c1cc(Cl)c(NC(=O)COC(=O)C[C@H]2Sc3ccccc3NC2=O)c(Cl)c1	3435767	FCTWLZTZXGWHOM-CQSZACIVSA-N	504.373	2.626	0	40	KFAB	
COc1ccccc1NC(=O)COC(=O)c1ccc2c(c1)C(=O)N([C@H](C)C(=O)OCC(=O)Nc1ccccc1OC)C2=O	6166182	YNCAPSAFYNKZOX-QGZVFWFLSA-N	589.557	2.666	0	40	KFAB	
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NCc1ccccc1	13592125	DAZXGMCEQYWBRE-LUTDRMBFSA-N	522.671	2.997	0	40	KFAB	
Cc1cc(C)cc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)S(C)(=O)=O)c1	20458804	BQVOYWPSBFUQGX-UHFFFAOYSA-N	517.633	2.916	0	40	KFAB	
CC(C)(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCN(S(=O)(=O)c4ccccc4Cl)CC3)C2=O)cc1	96019698	GKPPLNCOBRXTPM-SANMLTNESA-N	547.077	2.938	0	40	KFAB	
CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(OC)cc3)N(CCCN3CCC(C(N)=O)CC3)C2=S)cc1	98005914	WGTXENXPTQGMIO-RUZDIDTESA-N	595.722	2.790	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN(c3ccccc3)S(=O)(=O)c3ccc(F)cc3)CC2)cc1	100086141	TXPGCJNYTOMLMX-UHFFFAOYSA-N	531.631	2.863	0	40	KFAB	
CCOc1ccc2c(c1)s/c(=N/C(=O)c1ccc(S(=O)(=O)N(CCOC)CCOC)cc1)n2C	100814208	PKFRSYXADGIVPI-WCWDXBQESA-N	507.634	2.663	0	40	KFAB	
CCCCN(CC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(S(N)(=O)=O)ccc3n2CCOCC)cc1	100873661	NWKKZYGBXSUKIS-LCUIJRPUSA-N	568.743	2.939	0	40	KFAB	
CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](O[C@@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@H]([C@]6(C)CC[C@H](C(C)(C)O)O6)[C@@H](O)C[C@@]3(C)[C@@H]5C[C@H](O[C@H]3OC[C@H](O)[C@H](O)[C@@H]3O)[C@@H]4C2(C)C)OC[C@H]1O	253506378	TZHGYWCJIXHMJK-OHMLAKPQSA-N	839.029	2.505	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O	260994736	QPLCFKAVRYKNSC-MOPGFXCFSA-N	505.637	2.802	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)O)cc3)c(=O)n2[C@@H]1c1cccc(OC)c1OCC	408905994	ABVUJLHGWQRGGP-JRXNCPAPSA-N	552.605	2.669	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccc(Cl)cc43)c(=O)n2[C@H]1c1ccccc1OC	409120719	SEBBXRHZXMRTHF-LCPUNJGISA-N	509.971	2.783	0	40	KFAB	
CN(CCC[C@H]1C(=O)N(C)CCCCC2(CCN(C(=O)OC(C)(C)C)CC2)COCC(=O)N1C)C(=O)c1ccnn1C	643560784	HXDNSEGOISGMFY-QHCPKHFHSA-N	590.766	2.776	0	40	KFAB	
C[C@H]1COCCCCC2(CCN(C(=O)Cn3nc(C(F)(F)F)c4c3CCCC4)CC2)C(=O)N[C@@H](C)C(=O)N1	643564216	ZDKPOSVUWGVMDF-ROUUACIJSA-N	541.615	2.599	0	40	KFAB	
CC(C)[C@H]1NC(=O)CC[C@@H](C(=O)NCC(C)(C)c2ccc(F)cc2)NC(=O)c2ccccc2OCCCNC1=O	643566314	CCSYKBIFCCNMHB-JYFHCDHNSA-N	554.663	2.838	0	40	KFAB	
Cc1nc2ccccc2n1CCCC(=O)N1CCC2(CC1)C[C@@](C)(O)[C@H](n1cnc3c(N)ncnc31)CO2	2037879984	FBAPRTHABHUCLO-QFQXNSOFSA-N	518.622	2.621	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	708128	KZXLORUJJKHBRI-LYRGBEMXSA-N	524.595	2.920	0	40	KFAB	
O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)Nc1ncc(Cl)cc1Cl	3270565	BUAKSXKTLPBZSK-UHFFFAOYSA-N	508.767	2.858	0	40	KFAB	
CCS(=O)(=O)c1ncc(Cl)c(C(=O)N(Cc2ccc(C(C)C)cc2)[C@H]2CCS(=O)(=O)C2)n1	8868630	QCIVWIVGLVNSFT-KRWDZBQOSA-N	500.042	2.877	0	40	KFAB	
CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSC(=S)N1CCCC1	12539452	HINKLXOWUYQCAJ-UHFFFAOYSA-N	500.712	2.606	0	40	KFAB	
CCOc1ccc(-n2c(SCC(=O)N(CC)[C@@H]3CCS(=O)(=O)C3)nnc2-c2cccnc2)cc1	12546726	QKKPPFCOVDSKSC-LJQANCHMSA-N	501.634	2.856	0	40	KFAB	
O=C(Nc1ccccc1N1CCOCC1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1	13135102	GGLWLMUVYFWQKP-UHFFFAOYSA-N	514.648	2.787	0	40	KFAB	
COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2F)cc1OC	100309833	NBCIOPNXLVFAMA-IVZQSRNASA-N	557.604	2.664	0	40	KFAB	
CCOC(=O)CN1C(=O)[C@]2(N[C@H](CCSC)[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]32)c2ccccc21	103011013	JFSACOGEXOVPMC-SMXKYELJSA-N	528.030	2.976	0	40	KFAB	
CCN1C[C@]2(COC)CC[C@@H](OC)[C@@]34[C@H]2[C@@H](OC)[C@H]([C@@H]13)[C@@]1(OC(C)=O)C[C@H](OC)[C@@]2(O)C[C@@H]4[C@@H]1[C@H]2OC(=O)c1ccc(OC)cc1	103499415	GAZDXIGXYWVWQX-DCPCGLRLSA-N	643.774	2.715	0	40	KFAB	
COC(=O)[C@@H]1CN(C(=O)COc2ccc(S(=O)(=O)NCc3ccccc3)cc2C)c2ccccc2O1	222776658	ZCWLPJZOMYHPTO-DEOSSOPVSA-N	510.568	2.820	0	40	KFAB	
O=C(O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(N([C@@H]3CS(=O)(=O)C[C@@H]3O)S(=O)(=O)c3cc(C(=O)O)ccc3Cl)cc2)c1	575425959	JSDSQQZZZBMBDX-UXHICEINSA-N	679.534	2.544	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OCCCn3ccnc3)c(OC)c2)C[C@@](O)(COc2ccc(F)c(F)c2)C1	585273904	FYWCZNNIUFMYDU-LJAQVGFWSA-N	574.625	2.740	0	40	KFAB	
CC(C)C[C@H]1NC(=O)CC[C@@H](C(=O)NCCc2ccncc2)NC(=O)c2ccccc2OC[C@@H](C(C)C)NC(=O)[C@H](C(C)C)NC1=O	643564727	CFCDZZWNCUTJSJ-NFAPWKBDSA-N	650.821	2.524	0	40	KFAB	
COc1ccc(CCCNC(=O)[C@@H]2CCC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1OC	643568790	KSWIVLJJYXABLI-NSOVKSMOSA-N	646.741	2.615	0	40	KFAB	
Cc1cc(OCCNC(=O)[C@@H]2CC(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3COc3ccccc3C(=O)N2)ccc1Cl	643578156	IBRRQUKFQSSKMW-IUGBQFMMSA-N	585.101	2.856	0	40	KFAB	
CC(C)CCO[C@@H]1CN(C(=O)c2ccccc2F)CCN(C(=O)c2ccncc2)CCCCOC[C@@H](O)[C@H]1O	643913331	RHQCOFGDNLOWNE-ZONZVBGPSA-N	545.652	2.769	0	40	KFAB	
CCOC(=O)C1=c2s/c(=C\c3ccccc3)c(=O)n2C(N)=C(S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1	2274525	YXSNTAQFTQIYNG-MUGAAPJKSA-N	544.654	2.809	0	40	KFAB	
CCCCCCOc1ccc(N2C(=O)C[C@@H](N(CCc3ccc(S(N)(=O)=O)cc3)C(=O)/C=C/C(=O)O)C2=O)cc1	6471990	FRQGREBQWRVUHT-DKUDOZJNSA-N	571.652	2.637	0	40	KFAB	
O=c1nc2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(S(=O)(=O)N4CCOCC4)cc3)c(=O)n2nc1Cc1ccccc1	8433213	JHELGILMQNMLKJ-RRAHZORUSA-N	638.731	2.523	0	40	KFAB	
COc1ccc(OC)c(CC2(CN3CCc4cc(OC)c(OC)cc4[C@@H]3C)C(=O)N(C)C(=O)N(C)C2=O)c1	20411317	ZQYGKNADTJXYOA-KRWDZBQOSA-N	525.602	2.920	0	40	KFAB	biogenic
O=S(=O)(c1ccc(Br)cc1)N1CCN(C[C@H](O)COCc2ccccc2Cl)CC1	25480652	CNVPQEJVHLJYLT-SFHVURJKSA-N	503.846	2.987	0	40	KFAB	
O=C(NC[C@@H]1CCCO1)[C@@H](c1ccncc1)N(Cc1ccccc1Cl)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	33356911	AAPMPJKZWNULAR-HFZDXXHNSA-N	583.066	2.945	0	40	KFAB	
Cc1cn2c3c(=O)n(Cc4c(Cl)cccc4Cl)c(=O)n(C)c3nc2n1CCCN1CCOCC1	96306509	FSUGCUPCRSOOIF-UHFFFAOYSA-N	505.406	2.535	0	40	KFAB	
COc1cc(C=C(C(=O)NC[C@H]2CCCO2)C(=O)NC[C@H]2CCCO2)ccc1OCC(=O)Nc1ccc(C)cc1	97981423	VDIIXQJBOSERJM-DNQXCXABSA-N	551.640	2.995	0	40	KFAB	
Cc1ccccc1CCN(C(=O)CN1C(=O)c2ccccc2S1(=O)=O)[C@H](C(=O)NC[C@H]1CCCO1)c1ccco1	100377932	IFTWDBBZPSDLIS-AMGIVPHBSA-N	565.648	2.840	0	40	KFAB	
CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccccc1)C(N)=O	103033158	MLLNBNIWCJUKEH-OKJKUSBXSA-N	582.698	2.757	0	40	KFAB	
C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)C1=O	103116019	YECQQDGDVZYYNZ-VWLOTQADSA-N	563.032	2.692	0	40	KFAB	
C[C@@H](NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1)c1ccc(S(C)(=O)=O)cc1	223848853	CKGBSGGPSMCVLA-HXOBKFHXSA-N	500.598	2.924	0	40	KFAB	
Cc1cccc(N([C@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)c1	260886011	CFZRISCDHDLWOA-HXUWFJFHSA-N	523.677	2.519	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	408986331	PBJOYHVNFBNWRZ-LYRGBEMXSA-N	554.621	2.928	0	40	KFAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(CC)c4ccccc43)c(=O)n2[C@H]1c1cc(OC)ccc1OC	409159961	DAEMPMXETWVQMY-ULWNEYHBSA-N	560.676	2.858	0	40	KFAB	
Cc1ccc(C(=O)O)cc1S(=O)(=O)N(Cc1ccccc1)[C@@H]1CS(=O)(=O)C[C@@H]1NCc1ccccc1	575426042	LGYCDPDMVJNKQE-BJKOFHAPSA-N	528.652	2.840	0	40	KFAB	
COc1cc(CN2CCN(C(C)=O)C[C@@](O)(COc3ccccc3)C2)ccc1OCCCn1cccn1	585281309	YTOXEKFEGAUGRA-MUUNZHRXSA-N	508.619	2.835	0	40	KFAB	
C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(Cl)ccc1OC[C@H](N)Cc1ccccc1)C(=O)O	2037879769	PBCNVSCWYVSXQC-GJLLIYRVSA-N	554.043	2.580	0	40	KFAB	
CCN1C(=O)[C@H](CC(=O)Nc2ccc(I)cc2)N(NC(=O)c2cccc(F)c2)C1=S	1078082	MWGKKXNGRPAZTA-INIZCTEOSA-N	540.358	2.922	0	40	KFAB	
CSCC[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)OCC(=O)c1ccc(Cl)s1	3425771	AAMDIVQRRNYRPL-ZDUSSCGKSA-N	506.023	2.999	0	40	KFAB	
COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCC2)c2ccncc2)c(OC)c1	6136498	QMPLXQCNXGEEBC-OAQYLSRUSA-N	524.603	2.683	0	40	KFAB	
CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)OCC(=O)NC(=O)Nc1ccc2c(c1)OCCO2	13129310	CIBIBXAQSQXLSK-SFHVURJKSA-N	501.561	2.509	0	40	KFAB	
O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C1CCCC1)N1CCN(c2ccc(O)cc2)CC1)OCO3	20080906	PFUPMGYKHABFTM-VWLOTQADSA-N	515.574	2.976	0	40	KFAB	
CCOc1ccccc1NC(=O)[C@@H](CCS(C)(=O)=O)N1C(=O)c2ccc(Br)cc2C1=O	24522785	ZROKZGVIIVNADB-QGZVFWFLSA-N	509.378	2.886	0	40	KFAB	
COc1ccc(OC)c(S(=O)(=O)N2CCC3(CC2)N=C(c2ccc(Br)cc2)C(=O)N3)c1	35432665	CJOMYTZEMUQCGK-UHFFFAOYSA-N	508.394	2.566	0	40	KFAB	
CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)Oc2ccc(Cl)cc21	38850423	XQNMMELIJUZURG-HXUWFJFHSA-N	514.025	2.680	0	40	KFAB	
CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@H](Cc1ccccc1)C(=O)O	70706619	HVHVKUFUIIQCAU-UJODKQELSA-N	570.646	2.817	0	40	KFAB	biogenic
COc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)cc1S(=O)(=O)N1CCOCC1	103027152	ZYIFRRYVZVFQRU-UHFFFAOYSA-N	557.650	2.720	0	40	KFAB	
C[C@@H](C(=O)NCc1ccccn1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222779578	UOCBCQKELXYPJD-NRFANRHFSA-N	587.098	2.868	0	40	KFAB	
CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O	223388215	YPOFLBLYTSVAGW-FQEVSTJZSA-N	526.453	2.777	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	223531447	WXEZZEPTLRWTFT-FQEVSTJZSA-N	519.664	2.846	0	40	KFAB	
COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)N[C@@H](C)c3ccc(S(C)(=O)=O)cc3)Oc3ccccc32)cc1	223872499	CXIZOLZQMBPUOQ-XDHUDOTRSA-N	530.624	2.932	0	40	KFAB	
CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	225263853	QBDQELKJBLAFEL-OAQYLSRUSA-N	523.627	2.943	0	40	KFAB	
CN(CC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCCc1ccccc1)S(C)(=O)=O	260725457	WNJFUWCTKVEPCT-AREMUKBSSA-N	507.656	2.877	0	40	KFAB	
CCCOc1c(OC)cccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc4c(c3)OCO4)c(=O)n21	409013652	LDNWLBOKIJTUGU-XXMKCSCWSA-N	566.632	2.951	0	40	KFAB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H]2CS(=O)(=O)C[C@H]2NCc2ccccc2)cc1NC(C)=O	575425934	JIGZGUXAMDFDIO-FTJBHMTQSA-N	557.694	2.800	0	40	KFAB	
CCCCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCOC[C@H]2CCCO2)CCC(=O)N[C@@H](Cc2ccccc2)C1=O	643585294	WNKNVYVMUPGMBA-FGUUHEIUSA-N	622.763	2.626	0	40	KFAB	
Cc1ccc(-c2nnn(CC(=O)N(c3ccc4c(c3)OCCO4)[C@@H](C(=O)NC[C@H]3CCCO3)c3ccco3)n2)o1	888709	RJCOBDSZWVXYOE-KBMIEXCESA-N	548.556	2.675	0	40	KFAB	
Cc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@H](C(=O)NC[C@H]3CCCO3)c3ccc(C)o3)n2)o1	888739	GTFUCRCXUYIQTB-JPYJTQIMSA-N	508.535	2.801	0	40	KFAB	
C[C@@H]1CCc2c(sc3nc(SCC(=O)N[C@@H]4CCS(=O)(=O)C4)n(-c4ccccc4)c(=O)c23)C1	2619256	JWIGEQIKEZAQMW-HUUCEWRRSA-N	503.671	2.967	0	40	KFAB	
NC(=S)N[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1	4901146	GSDZPETYJHGMLP-BXXSPATCSA-N	520.563	2.853	0	40	KFAB	
CC(=O)c1cc2c(cc1NC(=O)CSc1nnc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)n1C)OCO2	6074077	WWQATKPPIITARB-UHFFFAOYSA-N	543.627	2.929	0	40	KFAB	
COc1ccccc1NC(=O)COC(=O)c1ccc2c(c1)C(=O)N([C@@H](C)C(=O)OCC(=O)Nc1ccccc1OC)C2=O	6166181	YNCAPSAFYNKZOX-KRWDZBQOSA-N	589.557	2.666	0	40	KFAB	
CCOC(=O)C1=c2s/c(=C/c3ccccc3OC)c(=O)n2C(N)=C(S(=O)(=O)c2ccccc2)[C@H]1c1ccccc1OC	8444272	AUIPBZVXOGDRFW-GRBCXPRBSA-N	604.706	2.826	0	40	KFAB	
CC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)NC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1	13565709	JHZKZMUCILSYEK-NRFANRHFSA-N	515.529	2.861	0	40	KFAB	
CC(C)CN(C(=O)CN(C)C(=O)COc1c(Cl)cccc1Cl)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	32971953	LULNRULKJNQHOQ-UHFFFAOYSA-N	528.437	2.608	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1	59852803	ZTIKOGUZJGCPHT-UHFFFAOYSA-N	531.616	2.631	0	40	KFAB	
CCC(=O)O[C@@H]1[C@@H](N(C)C)C[C@@H](C)O[C@@H]1O[C@@H]1[C@@H](C)[C@H](O[C@H]2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[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@]1(C)O	85867677	TYQXKHPOXXXCTP-UBDSXKIZSA-N	790.001	2.747	0	40	KFAB	
Cn1cc(NC(=O)c2cc(NC(=O)CCCCCCCCC(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC(N)N)n(C)c4)n(C)c3)cn2C)cc1C(=O)NCCC(=N)N	95549789	BTGUVPQQRJXKEN-UHFFFAOYSA-N	830.996	2.662	0	40	KFAB	
Cc1ccc(-c2nnc(Nc3ccc(S(N)(=O)=O)cc3)c3ccccc23)cc1S(=O)(=O)N1CCN(C)CC1	97967024	YLOUQDZQNSMSCP-UHFFFAOYSA-N	552.682	2.932	0	40	KFAB	
CCN1C[C@]2(C)CC[C@H](OC(C)=O)[C@@]34[C@@H]5C[C@@H]6[C@@H](OC)C[C@@](OC(C)=O)([C@@H]5[C@H]6OC(C)=O)[C@@H](C[C@@H]32)[C@@H]14	100765874	BHOWLZWNBIHSFB-JFUQDETQSA-N	503.636	2.963	0	40	KFAB	biogenic
O=C(NC1CCC(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CC1)c1cccc(S(=O)(=O)N2CCCC2)c1	102979814	XSVOGYHJCGRZIK-UHFFFAOYSA-N	588.752	2.727	0	40	KFAB	
O=C(COC(=O)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl)NC(=O)C1CCCCC1	103116141	QAJMADYCJQEGPU-UHFFFAOYSA-N	530.224	2.801	0	40	KFAB	
CC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@@H](NC(=O)c2cc(-c3ccccc3)nc3ccccc23)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	195528841	VVMNWCWAUDNQKP-JLAXRDTJSA-N	578.574	2.715	0	40	KFAB	
C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	223818573	LFNMBJMIHFKEMA-INIZCTEOSA-N	504.008	2.961	0	40	KFAB	
CN(C)c1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)N(CCCC(=O)O)C(=O)[C@@H]54)[C@H]23)cc1	245228809	FWPPYSXVNCBZKQ-HZGNBMRESA-N	513.641	2.841	0	40	KFAB	
COCc1cn([C@@H]2CC[C@H]3CCOc4ccccc4C(=O)N4CCN(Cc5ccc(F)c(F)c5)C[C@H]4C(=O)NC[C@H]2O3)nn1	253395956	CUTXUTTXWNLRPO-LZLJGXJWSA-N	610.662	2.717	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C)cc1	260870660	DTUPQJORALCPSA-LJQANCHMSA-N	505.637	2.659	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CC(=O)NC[C@H]2COc3ccccc3O2)c2ccc(F)cc2)cc1OC	260899488	LIXOBTZCPKDYEX-IBGZPJMESA-N	516.547	2.994	0	40	KFAB	
O=C([C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	408714978	ZXVLGYJCUAXIAR-MHZLTWQESA-N	535.622	2.857	0	40	KFAB	
O=C1[C@@H]2[C@H](CO)N[C@@]3(C(=O)N(Cc4ccccc4)c4ccccc43)[C@@H]2C(=O)N1CCCCCCN1C(=O)[C@@H]2[C@H](CO)N[C@]3(C(=O)N(Cc4ccccc4)c4ccccc43)[C@@H]2C1=O	585139072	OQESVVINOMNKPR-FYYJEUHFSA-N	836.946	2.562	0	40	KFAB	
COC(=O)[C@H](C)O[C@H]1[C@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2N2C(=O)c3ccccc3C2=O)[C@@H](COCc2ccccc2)O[C@H](OCc2ccccc2)[C@@H]1NC(C)=O	1569999052	QCGGVNRUSHJPPG-SOSYVDISSA-N	904.919	2.798	0	40	KFAB	
O=C(COC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1)Nc1c(F)cccc1F	3228663	VTRLJFRNIGPHGU-UHFFFAOYSA-N	519.320	2.544	0	40	KFAB	
COc1ccc(S(=O)(=O)Nc2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(C(=O)c3cccc(C(=O)O)c3)C2)cc1	4150058	QWPNAACKSWWAQR-QFBILLFUSA-N	523.567	2.615	0	40	KFAB	biogenic,in-vitro
CCCCn1c(CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	6095167	MKCUOTMCSUTXNW-CJAUYULYSA-N	517.652	2.858	0	40	KFAB	
COc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n(C)c(=O)n4C)n3Cc3ccccc3)sc2c1	6444945	PLNKJKJZKYJZIR-UHFFFAOYSA-N	522.612	2.831	0	40	KFAB	
Cc1cc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2cc1C	22870283	LKOZNGZAISLSIB-QDPGVEIFSA-N	557.655	2.946	0	40	KFAB	
COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@@H](CC(N)=O)C(=O)O)C(=O)N32)c1	70707555	WRZKQFQEXDILRL-DPPGTGKWSA-N	581.585	2.718	0	40	KFAB	biogenic
CCn1cc(C(=O)N2CCN(c3ccccc3)CC2)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1	102921041	BQCXBQOVNREMTH-UHFFFAOYSA-N	536.702	2.993	0	40	KFAB	
Cc1ccc(S(=O)(=O)[C@@H]2NCCN[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@H](S(=O)(=O)c3ccc(C)cc3)NCCN[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1	150464731	VHPGQPPILXWUFK-ACYSOYCRSA-N	789.036	2.792	0	40	KFAB	
Cc1ccc(S(=O)(=O)NCCNC(=O)COc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)cc1	222680021	SNOSTXMXJYQFOD-UHFFFAOYSA-N	531.656	2.886	0	40	KFAB	
CCCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222703662	SHEUXDGHPNLLTI-JOCHJYFZSA-N	531.675	2.810	0	40	KFAB	
C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	222890138	ZXHIRVVVNBYSKX-KRWDZBQOSA-N	510.607	2.910	0	40	KFAB	
CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	222891332	KYDWWWNSDXVQGY-OAQYLSRUSA-N	501.605	2.562	0	40	KFAB	
O=C(NCCO)[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	223369394	AQGVAICQCHOBAY-NDEPHWFRSA-N	602.109	2.618	0	40	KFAB	
O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1	224435831	XYEFGTORUWZUSX-UHFFFAOYSA-N	638.562	2.861	0	40	KFAB	
CCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	225416128	DUINRCKFPKFDBZ-JOCHJYFZSA-N	522.643	2.781	0	40	KFAB	
Cc1ocnc1C(=O)N1CC[C@H](Oc2cccc(Br)c2)[C@@H](CC(=O)N2CCN(C)CC2)C1	257317688	VKUKQCUDCFWNOE-PXNSSMCTSA-N	505.413	2.819	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCSc3nc(-c4ccccc4)n[nH]3)C2)cc1OC	260734242	HBBVVAHRKHJJKU-SFHVURJKSA-N	531.660	2.798	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2cccc(C(C)=O)c2)S(C)(=O)=O)[C@H](C)C(=O)NC(C)(C)C)cc1	260813169	UYWCIGMZEFPENG-GOSISDBHSA-N	517.648	2.996	0	40	KFAB	
CCOc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1	408596467	ZMKYDMGGNCLIFK-CXUHLZMHSA-N	518.320	2.843	0	40	KFAB	
CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc(OC)c2OCC)C(C(=O)OCCOC)=C(C)N=3)cc(I)c1OCC(N)=O	408974544	ZOTVEZIZCDQVOR-WPUHHHFCSA-N	751.596	2.700	0	40	KFAB	
Cc1csc(CCCNC(=O)[C@@H]2CCC(=O)N3CCC[C@@H]3C(=O)N[C@@H](C(C)C)COc3ccccc3C(=O)N2)n1	643550572	BYRGEXMDEQSOTH-YTFSRNRJSA-N	569.728	2.603	0	40	KFAB	
CCCC(=O)Nc1ccn([C@@H]2O[C@@H](COC(=O)CCC)[C@@H](OC(=O)CCC)[C@@H]2OC(=O)CCC)c(=O)n1	4984383	IJSVLVFEJFXYPI-CPUMGYLUSA-N	523.583	2.646	0	40	KFAB	
Cc1cccc(N(C(=O)C[S@@](=O)CC(=O)Nc2ccc3c(c2)OCO3)[C@@H](C)C(=O)NC2CCCC2)c1	19941210	JCIFNFBIRDXASH-YJDVNGEMSA-N	513.616	2.891	0	40	KFAB	
CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)CCn2nnc3ccccc3c2=O)c1	32836517	XWAOBCPVEFQSLN-UHFFFAOYSA-N	512.636	2.841	0	40	KFAB	
Cc1cc(C)nc(NS(=O)(=O)c2ccc(N3CC4=C(C3=O)[C@@H](c3ccccc3)NC(=O)N4C)cc2)n1	35326615	OMVFTFUNQLVSMM-JOCHJYFZSA-N	504.572	2.891	0	40	KFAB	
COc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2)cc1S(=O)(=O)N1CCOCC1	60028798	QORLLGWSOCROGE-UHFFFAOYSA-N	572.105	2.550	0	40	KFAB	
CC(=O)O[C@H]1C[C@@](C)(O)[C@H]2CC=C(C)[C@H]2[C@H]2OC(=O)[C@]3(C[C@@]45C=C[C@]3(C)[C@@H]4[C@H]3OC(=O)[C@@H](CN4CCOCC4)[C@@H]3CC[C@@]5(C)O)[C@H]12	70697689	CBJPQVLGEQCRAI-CJUCMVKHSA-N	639.786	2.800	0	40	KFAB	
COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(F)cc2)cc1OC	100309852	GARJFSUJRASRPY-JTSKRJEESA-N	557.604	2.664	0	40	KFAB	
COc1ccc(OC)c(C[C@@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3cccc4ccccc34)CC2)c1	100468809	LGFSJCOYYXOJMB-RUZDIDTESA-N	539.654	2.874	0	40	KFAB	
COCCCNC(=O)Cn1c(=O)n(Cc2ccc(C(=O)NCc3ccccc3Cl)cc2)c(=O)c2ccccc21	101332134	LTUXTVBVWHQDRE-UHFFFAOYSA-N	549.027	2.948	0	40	KFAB	
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C)c(Cl)c3)S(C)(=O)=O)cc2)n1	215968268	YFOMJMIFXIDEQN-UHFFFAOYSA-N	524.024	2.952	0	40	KFAB	
C[C@H](C(=O)NCCCO)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1	222710251	ZNGWUKHEFLUWQD-HXUWFJFHSA-N	543.617	2.921	0	40	KFAB	
COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)[C@@H](C(=O)NCCO)c2ccccc2)cc1	223533530	AVPATGIJNKSMKM-GDLZYMKVSA-N	565.692	2.947	0	40	KFAB	
O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1	224435681	ZIADSALCQWGCLR-UHFFFAOYSA-N	594.111	2.751	0	40	KFAB	
CCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O	225408433	DJIKDZTVGUHZFE-XMMPIXPASA-N	517.648	2.997	0	40	KFAB	
Cc1cccc(S(=O)(=O)N2CCO[C@@](COc3cccc(Cl)c3)(CC(=O)N3CCN(C)CC3)C2)c1	257294918	QWHBJQMFMHKUII-VWLOTQADSA-N	522.067	2.651	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCC(=O)O)c(OC)c3)c(=O)n2[C@H]1c1cccc(OC)c1	408843047	QYOQPVKCZMPWJV-HWMPQDOQSA-N	664.474	2.884	0	40	KFAB	
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(OC)cc3)S(C)(=O)=O)cc2)cc1	408924391	HXEBCHZUMLVUIM-UHFFFAOYSA-N	519.601	2.909	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)OC)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409032377	JDQOKKUDHOZDHE-XMHSLYEBSA-N	668.721	2.699	0	40	KFAB	
COc1cccc(CCCNC(=O)[C@@H]2CC(=O)N[C@H](C(C)C)C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCCOc3ccccc3C(=O)N2)c1	643575461	FUZIFFRWRHIGSS-ODTVBPJYSA-N	685.822	2.700	0	40	KFAB	
O=S(=O)(c1cccc(S(=O)(=O)N2CCC(c3nc4ccccc4s3)CC2)c1)N1CCOCC1	1335129	QXAWZYFYMRPIEP-UHFFFAOYSA-N	507.659	2.886	0	40	KFAB	
O=C1Nc2c(c(=O)[nH]c(=O)n2-c2ccc(Cl)cc2)[C@@]1(NS(=O)(=O)c1ccc(Cl)cc1)C(F)(F)F	1854197	FIEUJDURIJJHOP-SFHVURJKSA-N	535.287	2.521	0	40	KFAB	
NC(=S)N[C@@H]1O[C@@H](COC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1	4901145	GSDZPETYJHGMLP-CWBXHPNXSA-N	520.563	2.853	0	40	KFAB	
CCOC(=O)[C@@](NC(=O)CC)(Nc1ccc([C@@](O)(C(=O)OCC)C(F)(F)F)cc1OC)C(F)(F)F	8445390	FVDBHHBVHRIXCE-MSOLQXFVSA-N	518.407	2.768	0	40	KFAB	
CC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)C[C@@H](C)C4)cc3)c2C(N)=O)C1	17244517	WJONFCZTMQGVAE-GASCZTMLSA-N	518.661	2.671	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1	20487867	RHUURUFXAVKTSF-QFIPXVFZSA-N	519.689	2.501	0	40	KFAB	
NS(=O)(=O)c1ccc(CCNC(=O)CSC2=Nc3ccccc3C3=N[C@H](c4ccccc4)C(=O)N23)cc1	33356249	UZOJVWFTRPXSHQ-HSZRJFAPSA-N	533.635	2.757	0	40	KFAB	
O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1	60060306	LIRQXKHQSHUXPO-UHFFFAOYSA-N	533.607	2.597	0	40	KFAB	
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	77286757	IRRYQXHQELBFIE-PEKHPVOQSA-N	717.746	2.648	0	40	KFAB	in-vitro
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OC)c3OC)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	97958172	REEALSYYUAZFIG-XOYGFPHKSA-N	554.621	2.841	0	40	KFAB	
COc1ccccc1NC(=O)Cn1nnc(-c2ccccc2NS(=O)(=O)c2ccc3c(c2)OCCO3)n1	100365857	XKSQKOIFOSOPLP-UHFFFAOYSA-N	522.543	2.559	0	40	KFAB	
CSCC[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1	103020973	GTMNZRYLKVEVKS-NRFANRHFSA-N	553.753	2.834	0	40	KFAB	
CC(=O)OC[C@H]1O[C@H](Oc2ccc3c(=O)c(-c4ccccc4)coc3c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	170621370	IKJNNQJEFRCUHB-OOLDPQGUSA-N	568.531	2.922	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	222871312	MEDOSHBHBGVCPN-AREMUKBSSA-N	556.660	2.833	0	40	KFAB	
CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@H](C)C(=O)NC[C@H]2CCCO2)cc1	222947591	JFENJXCGDWAIML-HYBUGGRVSA-N	531.675	2.639	0	40	KFAB	
CC[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)N(c1cccc(OC)c1)S(C)(=O)=O	224410120	HUBKHTAIJNPSOW-DEOSSOPVSA-N	553.703	2.610	0	40	KFAB	
COc1ccc(CN(C(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)[C@H](C)C(=O)NCC(C)C)cc1	224477435	DUMXHPNYSUNNIR-LJQANCHMSA-N	515.632	2.809	0	40	KFAB	
COC(=O)CSc1nnc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(OC)c(OC)c3)cc2)s1	225240695	XCMLFDWTWLISQA-UHFFFAOYSA-N	538.629	2.898	0	40	KFAB	
CCN(CC(=O)N1C[C@@H](C(=O)NCCc2ccccc2)Oc2ccccc21)S(=O)(=O)c1cc(F)ccc1OC	226069838	JZBRNIMSXKZJHK-VWLOTQADSA-N	555.628	2.998	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)C2)cc1C	260728439	BDOROXQPMIHFJH-SFHVURJKSA-N	509.650	2.602	0	40	KFAB	
COc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1	408595655	XOSKBQOZPCQQTG-LZYBPNLTSA-N	565.320	2.603	0	40	KFAB	
CCOC(=O)COc1cccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)c1	408949932	SYSVTFOLRAIAKT-JAYSWQADSA-N	566.632	2.757	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)O)c(OCC)c3)c(=O)n2[C@H]1c1ccccc1	408984330	GVCRVGKQOGLFPU-WNOSOOIWSA-N	522.579	2.660	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/[C@@H]3C(=O)N(c4ccccc4)N=C3C)c(=O)n2[C@H]1c1cccs1	409023840	JWYHQWKJJIWQLY-JAAUEDEYSA-N	506.609	2.850	0	40	KFAB	
Cc1cc(OC[C@@]2(CC(=O)N3CCOCC3)CN(C(=O)CC3CCN(C)CC3)CCO2)ccc1Cl	585286720	QMZHCPYRKQUQGY-AREMUKBSSA-N	508.059	2.606	0	40	KFAB	
CC(C)C[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCOc2ccc(Cl)cc2)CCC(=O)N2CCC[C@@H]2C(=O)N(C)CC(=O)N1	643571937	SEYYMFPQCQAJEJ-SAAIGDAKSA-N	670.207	2.787	0	40	KFAB	
COc1ccc(CN(CC(=O)NC2CCCCC2)C(=O)Cn2nnc(-c3ccc(OC)c(OC)c3)n2)cc1	6973473	IUWHFXYMYOLVBZ-UHFFFAOYSA-N	522.606	2.844	0	40	KFAB	
O=C(NCCCn1ccnc1)C1CCN(C(=O)[C@@H](C(=O)c2ccccc2)n2cc(Cl)ccc2=O)CC1	13940465	VXYXGDPBXCMPGG-HSZRJFAPSA-N	509.994	2.567	0	40	KFAB	
COC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=S)N2CCCN2CCOCC2)cc1	19810169	PHKLSLGCBHDJGL-JOCHJYFZSA-N	510.616	2.526	0	40	KFAB	
Cc1ccc(C(OC[C@@H]2O[C@@H](n3ncc(N)nc3=O)[C@@H](O)[C@H]2O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1	35877900	WINPBGKQLPWUPD-KZZMTEEBSA-N	528.609	2.774	0	40	KFAB	
C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)N1CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC1)C2=O	72142517	HTXHOZHKIXJHGP-IQMFZBJNSA-N	545.489	2.963	0	40	KFAB	
Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1S(=O)(=O)N1CCCCC1	102996525	ASQBVJDNIIQOIU-UHFFFAOYSA-N	537.660	2.638	0	40	KFAB	
CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2	222898455	UWWRMOWNZHQXKW-HXUWFJFHSA-N	555.628	2.998	0	40	KFAB	
CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O	223411288	WDWLHMLUPQHJFR-OAQYLSRUSA-N	505.637	2.803	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O	224028371	JQWSDOWZZVMKHR-INIZCTEOSA-N	573.453	2.619	0	40	KFAB	
CCOC(=O)COc1c(I)cc(/C=C2/NC(=O)N(CC)C2=O)cc1I	409231184	IEXDPIMYLMAQSY-KPKJPENVSA-N	570.121	2.750	0	40	KFAB	
CC(=O)N[C@@H]1[C@H](Sc2nnc(COc3cccc(C)c3)n2-c2ccccc2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	504461539	RMUTZVWIWLMGGQ-AHHSGJDGSA-N	626.688	2.903	0	40	KFAB	biogenic
COc1cccc(OCC(=O)N2CCO[C@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCOCC3)C2)c1	585287407	VZAXPYCBFTXYAI-HHHXNRCGSA-N	533.021	2.961	0	40	KFAB	
COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1Cl	3351712	SMKYFZLMUWJOGP-XNTDXEJSSA-N	546.030	2.750	0	40	KFAB	
COc1ccc(S(=O)(=O)N2C[C@@H]3C[C@H](C2)c2c(NC(=O)c4ccc5c(c4)OCO5)ccc(=O)n2C3)cc1	5438079	XJXSZCXJFALWKI-FUHWJXTLSA-N	523.567	2.646	0	40	KFAB	biogenic,in-vitro
Cn1c(=O)c2c(nc(N3CCN(c4ccccc4)CC3)n2CCSc2nc3ccccc3o2)n(C)c1=O	9392060	XYGBFKQGSLUDNF-UHFFFAOYSA-N	517.615	2.694	0	40	KFAB	
COc1ccccc1CNC(=O)CCn1c(=O)c2ccccc2n(CC(=O)NCCC2=CCCCC2)c1=O	9969355	UIWIMTPWBNOUAQ-UHFFFAOYSA-N	518.614	2.885	0	40	KFAB	
CC(=O)N[C@H](CC(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C)c1ccccc1	12529233	SICZAAHXMPTKOJ-HSZRJFAPSA-N	501.605	2.919	0	40	KFAB	
COCCNC(=O)c1ccccc1NC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1	14411172	RNJJQEINHIDHMY-UHFFFAOYSA-N	527.599	2.914	0	40	KFAB	
CCOC(=O)CN1C(=O)[C@]2(N[C@@H](Cc3ccccc3)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]32)c2ccccc21	14944162	SIHWJLLANVMQEL-QXQHHZKDSA-N	509.562	2.812	0	40	KFAB	
CN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1)S(=O)(=O)c1cccs1	26113946	IPJYJPFYVVKUIC-UHFFFAOYSA-N	521.642	2.846	0	40	KFAB	
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	33354149	IJHNQZNOWIDHLT-UHFFFAOYSA-N	533.603	2.681	0	40	KFAB	
COc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1OC	97979530	UDJKGILYCPTMOX-GHRIWEEISA-N	556.575	2.758	0	40	KFAB	
CCOc1ccc(/C=C2/SC(=O)N(CCNC(=O)[C@@H]3CS[C@@]4(C)CCC(=O)N34)C2=O)cc1OC	97985947	PYKTUFMYUVOBIR-CKLIRGIKSA-N	505.618	2.700	0	40	KFAB	
Cc1ccccc1CCN(C(=O)CN1C(=O)c2ccccc2S1(=O)=O)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccco1	100377935	IFTWDBBZPSDLIS-AJTFRIOCSA-N	565.648	2.840	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)c2ccc(F)cc2)cc1	224206981	CDYSMYFGMRIEGE-UHFFFAOYSA-N	549.646	2.775	0	40	KFAB	
Cc1cccc(N(Cc2ccc(C(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)S(C)(=O)=O)c1	224458572	CECDGFWZBYPOQH-UHFFFAOYSA-N	587.720	2.791	0	40	KFAB	
CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	224834050	RUYNLUWSTJKMGO-KRWDZBQOSA-N	524.039	2.821	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225512531	LGBQCPLLKMWEIT-DEOSSOPVSA-N	537.638	2.610	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)CC2)cc1OC	408597759	XZJLYXDGXMYWPS-RMKNXTFCSA-N	513.660	2.962	0	40	KFAB	
O=C(Nc1ccc(I)cc1)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	408787255	VXLOKONKBNPYKH-QFIPXVFZSA-N	611.483	2.994	0	40	KFAB	
CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3cc(Cl)c(OCC(=O)O)c(OC)c3)c2=O)=N1	409039536	WVFWEYLMROCSKY-LPRAYXGFSA-N	542.997	2.924	0	40	KFAB	
CCOC(=O)CN1C(=O)/C(=c2\sc3n(c2=O)[C@H](c2cc(Br)ccc2OC)C(C(=O)OCC)=C(C)N=3)c2ccccc21	409387444	IPMIFYFQBMWHTG-QQYUXEJHSA-N	640.512	2.849	0	40	KFAB	
COc1ccc(CN2CCN(C(C)=O)C[C@@](O)(COc3ccccc3)C2)cc1OCCCn1cccn1	585279919	HMWPSCUYYPJSRA-MUUNZHRXSA-N	508.619	2.835	0	40	KFAB	
COC(=O)Cn1c(=O)c(C(=O)COC(=O)c2ccccc2Nc2ccccc2)c(N)n(Cc2ccccc2)c1=O	3297614	IFYDBVFYXWUVJL-UHFFFAOYSA-N	542.548	2.597	0	40	KFAB	
Cc1cccc2c1NC(=O)[C@]21N[C@H](Cc2ccc(O)cc2)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21	15969368	UBEYPJWMLZAJLZ-VXVLLVOOSA-N	511.534	2.593	0	40	KFAB	biogenic
C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nc4ccc(S(N)(=O)=O)cc4s3)cc2)C1	17244914	GPPPCHYKLDVMTF-OKILXGFUSA-N	508.647	2.863	0	40	KFAB	
Cc1ccccc1OC[C@@H](O)CN1C(=O)N(CN2C(=O)N(C[C@H](O)COc3ccccc3C)C(=O)C2(C)C)C(C)(C)C1=O	33354115	QAVMYFNFNRQDTH-GOTSBHOMSA-N	596.681	2.526	0	40	KFAB	
CCOC(=O)C1CCN([C@H](c2cc3ccc(OC)cc3[nH]c2=O)c2nnnn2Cc2ccccc2)CC1	57594764	NIMMGCQPCGACAC-XMMPIXPASA-N	502.575	2.936	0	40	KFAB	
CCCCC(=O)N[C@]1(C(F)(F)F)NC(=O)N(c2ccc(N3C(=O)N[C@@](NC(=O)CCCC)(C(F)(F)F)C3=O)cc2)C1=O	98005174	CXPZNCLPOXWBFO-SZPZYZBQSA-N	608.496	2.929	0	40	KFAB	
CC(=O)Nc1ccc(S(=O)(=O)N[C@H](Cc2cc(I)c(O)c(I)c2)C(=O)O)cc1	150433024	NYQVBYIPEMNOPZ-OAHLLOKOSA-N	630.198	2.534	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O	222509983	CPSBGAIUXLXUPF-RUZDIDTESA-N	527.618	2.986	0	40	KFAB	
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2C)cc1	224459657	IZSNOKUIBRZPTN-UHFFFAOYSA-N	573.693	2.934	0	40	KFAB	
CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O	224618910	UQBDMYGZURPAGV-JOCHJYFZSA-N	517.648	2.948	0	40	KFAB	
CN(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NCc1cccnc1)S(C)(=O)=O	260719745	MIBLKRPMQBNEGD-XMMPIXPASA-N	529.062	2.883	0	40	KFAB	
Cc1cc(C)c(NC(=O)COc2ccc(N3C[C@H](C(=O)NCCCN4CCOCC4)CC3=O)cc2)c(C)c1	408578672	LLADXONINRDWIE-HSZRJFAPSA-N	522.646	2.821	0	40	KFAB	
CCOC(=O)N1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(OCC)cc3)cc2C)CC1	408675298	VEFWICAJVHUUIP-UHFFFAOYSA-N	505.593	2.874	0	40	KFAB	
CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(OCC(=O)N4CCOCC4)cc3)c2=O)=N1	409150830	DYHYCZKLKCSERM-OINPTKSXSA-N	635.739	2.833	0	40	KFAB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(O[C@@H](C)C(=O)OC)c(I)c3)C2=O)o1	409399676	KRBBFYNWSRZPOI-GPILYODUSA-N	554.293	2.704	0	40	KFAB	
CC1(C)NC(=O)N(CCCOc2ccc(CN3CCOC[C@@](O)(COc4ccc(F)cc4)C3)cc2)C1=O	585279089	CKZQORMJYIMGJF-HHHXNRCGSA-N	515.582	2.567	0	40	KFAB	
Cc1nn(CCNC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)CC(=O)N(C)CC(=O)N[C@@H](CC(C)C)COc3ccccc3C(=O)N2)c(C)c1C	643572189	RYAHKSOXTTVAFL-CDZUIXILSA-N	701.869	2.914	0	40	KFAB	
CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(=O)[C@H](C)[C@@H](C)c4ncccc4C(=O)OC[C@@]4(C)O[C@]1([C@@H](OC(=O)c1ccco1)[C@H]4[C@H](OC(=O)c1cccnc1)[C@@H]2OC(C)=O)[C@]3(C)O	2061000518	PMRSIAJYXABCTQ-RQIHFFLOSA-N	920.874	2.609	0	40	KFAB	
CCN(C(=O)CSc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2)[C@@H]1CCS(=O)(=O)C1	3351953	HEHAOQLVBXXFAE-LJQANCHMSA-N	514.629	2.850	0	40	KFAB	
CCOC(=O)[C@@H](CCCNC(=N)NC(=O)OCc1ccccc1)NC(=O)[C@@H](C(C)C)N1C(=O)c2ccccc2C1=O	5081599	RNLPVZPVNVYIDT-DHIUTWEWSA-N	565.627	2.586	0	40	KFAB	
COc1ccc(-c2ccnc(N[C@H]3CO[C@@H]4[C@@H](NS(=O)(=O)c5cccc6cccnc56)CO[C@H]34)n2)cc1	5412171	GPACYHIUGMPCNE-KXTAGPOFSA-N	519.583	2.626	0	40	KFAB	biogenic,in-vitro
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)cc1NC(=O)CSc1nncn1C	12971373	VIRGMTJGCDNYBS-UHFFFAOYSA-N	502.622	2.793	0	40	KFAB	
COc1cccc(CN(C)C(=O)[C@H](CCSC)NS(=O)(=O)c2ccc3c(c2)OCCO3)c1OC	12975179	DMIPVWRLCBCILX-SFHVURJKSA-N	510.634	2.534	0	40	KFAB	
CCOC(=O)C1=C(N)n2c(s/c(=C/c3ccc(C)cc3)c2=O)=C(C(=O)OCC)[C@H]1c1ccc(C)cc1	34366973	XKLBQSKELPQYFC-MEPUESOJSA-N	504.608	2.557	0	40	KFAB	
CO[C@H]1O[C@@H](CNC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H](OC)[C@H]1NC(=O)c1ccccc1	39945489	AQQYYMVCHAXJFN-CYNDTETISA-N	518.566	2.827	0	40	KFAB	
COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1OC	59838312	HUOCBCVITBCIQT-VWLOTQADSA-N	587.720	2.694	0	40	KFAB	
O=C1C[C@@H](N(O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C(=O)N1c1ccc(Br)cc1	101030737	PBHHHOHGJFUHIU-HZPDHXFCSA-N	537.164	2.867	0	40	KFAB	
O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1	103019887	LLHDTISFXLOWIR-UHFFFAOYSA-N	546.042	2.927	0	40	KFAB	
CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223656711	KQOFLMUVGKTORO-QFIPXVFZSA-N	547.674	2.955	0	40	KFAB	
CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	224896752	UFZVSPLTMBBBFF-JOCHJYFZSA-N	533.647	2.770	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	225193608	KQYRHDPFJFWJRU-GOSISDBHSA-N	510.607	2.911	0	40	KFAB	
O=C(N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(C4CCCCC4)C[C@H]3C(=O)NC[C@H]1O2)C1CCOCC1	253399860	KBPUUSLOKMZLQE-DXLYGPJMSA-N	582.742	2.503	0	40	KFAB	
COc1ccc(CN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)cc1	260726713	ZOMXKRCHFFVRJP-OAQYLSRUSA-N	567.664	2.919	0	40	KFAB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCC(=O)O)c(OCC)c4)c(=O)n32)cc1OCC	408946527	OYYQETGZLBJPEF-ZFWDJNJRSA-N	582.631	2.678	0	40	KFAB	
Cn1c(O)c(C(c2ccccc2C(F)(F)F)c2c(O)n(C)c(=S)n(C)c2=O)c(=O)n(C)c1=S	409094609	DTWHQDWVOZCYLA-UHFFFAOYSA-N	500.524	2.830	0	40	KFAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)OCO4)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	409099806	LRHBOXDONAJKCP-YXDQGSNCSA-N	535.622	2.850	0	40	KFAB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H]2CS(=O)(=O)C[C@@H]2NCc2ccccc2)cc1NC(C)=O	575425936	JIGZGUXAMDFDIO-UIOOFZCWSA-N	557.694	2.800	0	40	KFAB	
CC(=O)N1CCC(C(=O)N(C)CCCC[C@H]2C(=O)N(C)CCCCc3ccccc3OCC(=O)N2C)CC1	643559855	NEOWGTCZKLKDRT-VWLOTQADSA-N	528.694	2.574	0	40	KFAB	
CC(C)[C@H]1NC(=O)CN(Cc2ccccc2)C(=O)C[C@@H](C(=O)NCCc2ccc(F)cc2)NC(=O)c2ccccc2OC[C@H](C)NC1=O	643573408	VMMHAJCCUFOBEJ-SZJRAYCXSA-N	659.759	2.740	0	40	KFAB	
CCCCOC(=O)C1=C(N)n2c(s/c(=C\c3cccc(OC)c3)c2=O)=C(C(=O)OCC)[C@@H]1c1cccc(OC)c1	1897031	SUSGGWHDDQSVSR-YTMAHBJJSA-N	564.660	2.738	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(c3ccccc3OC)[C@@H](C)C(=O)NCCC(C)C)n2)cc1OC	6134372	FDCZACYKYGXLBI-SFHVURJKSA-N	510.595	2.950	0	40	KFAB	
COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(=O)nc[nH]c43)[C@@H](O)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1	6239728	PQXVLEMIGAJLIN-IXMKEJRMSA-N	570.602	2.765	0	40	KFAB	
COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(Cc2cccs2)C(=O)c2snc(C(N)=O)c2N)cc1	7059055	YESPVRDRORXNOH-UZLBHIALSA-N	529.644	2.573	0	40	KFAB	
C[C@H](OC(=O)c1cc(-c2ccc(OC(F)F)cc2)nc2ccccc12)C(=O)c1c(N)n(C)c(=O)n(C)c1=O	102204923	GRRCUZQIVUGFBH-ZDUSSCGKSA-N	524.480	2.911	0	40	KFAB	
COCc1nn2c(nnc3c(=O)n(NC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)c1-c1ccc(F)cc1	102352587	GUEGMSQCGQRSAS-UHFFFAOYSA-N	534.504	2.801	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O	222960314	BDSDNKDGMRYETH-HNNXBMFYSA-N	561.417	2.750	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O	225456529	SXOUHNVVMSIQCS-AWEZNQCLSA-N	500.390	2.518	0	40	KFAB	
COc1cc2nc(CSCCN3C(=O)[C@@H](C(N)=O)[C@H]4C[C@@]3(C)Oc3ccccc34)nc(O)c2cc1OC	524731657	GGCFJSXNNLTTQL-ISSICYQNSA-N	524.599	2.812	0	40	KFAB	biogenic
CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)NCc2cccc(CN3CCCC3=O)c2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC1=O	643576438	ZNYPOENHYQETFT-AFEGWXKPSA-N	738.886	2.771	0	40	KFAB	
Nc1ncnc2c1nc(SCc1nc3ccccc3c(=O)n1-c1cccc(C(F)(F)F)c1)n2C[C@@H](O)CO	3021151	FIIAZOPWCFCQAW-OAHLLOKOSA-N	543.531	2.772	0	40	KFAB	
O=C(OCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)[C@H]1CS[C@]2(c3cccs3)CCC(=O)N12	3357541	VVMNCROBYUXVAA-AMGIVPHBSA-N	585.729	2.868	0	40	KFAB	
CCc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(O)cc2)cc1	6822178	GCLMJGHUKMISHS-DENIHFKCSA-N	523.615	2.776	0	40	KFAB	
COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(C)c2)cc1	12711391	GRJXCCVUXJOTMJ-UGKGYDQZSA-N	523.615	2.825	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)Cc2ccc(Br)cc2)cc1	59837737	MDUWBPXSQZFJHY-UHFFFAOYSA-N	566.499	2.912	0	40	KFAB	
COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)cc1OC	110252368	PQYYPMAZNWUZKX-UHFFFAOYSA-N	575.665	2.802	0	40	KFAB	
COc1cc2c(c(OC)c1[C@H]1OC[C@]3(OC(C)=O)[C@@H](c4c(OC)cc5c(c4OC)OCO5)OC[C@H]13)OCO2	138933884	WDWKBCKXTIIDOK-GKYRLYQASA-N	532.498	2.939	0	40	KFAB	biogenic,in-vitro
Cc1c(Cl)ccc2c(/C=C3/NC(=O)N([C@@H](C(=O)NC(CO)CO)c4ccc(F)c(F)c4)C3=O)c[nH]c12	202237547	ZFYQBPVMECJUBO-CVPIQMQZSA-N	518.904	2.511	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O	222511580	QFSYNUIBEONYFT-CQSZACIVSA-N	563.845	2.874	0	40	KFAB	
O=C(NCCO)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1	223180817	OLYWRUSGXORLAI-MUUNZHRXSA-N	567.683	2.948	0	40	KFAB	
CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	224731391	XVRRGXKPBHGLKS-MRXNPFEDSA-N	536.448	2.926	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1Cl	226075061	OTJAKSRKRHUQDT-UHFFFAOYSA-N	544.095	2.503	0	40	KFAB	
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C(=S)NC(=O)c4cccc(F)c4)CC3)cc21	2280291	HASPBBZZYQNEOX-UHFFFAOYSA-N	500.527	2.835	0	40	KFAB	
CCCC(=O)Nc1ccn([C@H]2O[C@@H](COC(=O)CCC)[C@@H](OC(=O)CCC)[C@@H]2OC(=O)CCC)c(=O)n1	4984382	IJSVLVFEJFXYPI-ZFIFVKQDSA-N	523.583	2.646	0	40	KFAB	
CCN(CC)C(=O)Cn1c(=O)n(CCCCCC(=O)NCc2ccc3c(c2)OCO3)c(=O)c2sccc21	8593182	VBILBWRRCFFWHF-UHFFFAOYSA-N	528.631	2.699	0	40	KFAB	
CCOc1ccc(NC(=O)CSc2nc(-c3ccc(OC)cc3)nc3c2c(=O)n(C)c(=O)n3C)cc1	11758139	QQLQCGZBXOIKAG-UHFFFAOYSA-N	507.572	2.832	0	40	KFAB	
C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c1	12551021	GJBYWHIUUYCJQM-QIJUGHKUSA-N	518.657	2.635	0	40	KFAB	
CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1	12859534	CJSNJNQKVYPKLD-UHFFFAOYSA-N	512.554	2.742	0	40	KFAB	
COc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1S(=O)(=O)N1CCCCC1	20033256	LRTOHQASDXOQFG-UHFFFAOYSA-N	521.661	2.584	0	40	KFAB	
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3ccc(COc4ccccc4Br)o3)[C@H]2SC1	29749448	XGQUHFGRNNBLDJ-DYESRHJHSA-N	551.371	2.536	0	40	KFAB	
COc1cccc([C@H](C(=O)NC[C@@H]2CCCO2)N(Cc2cccs2)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1	33356885	SIXLIFWDGWPYSE-HFZDXXHNSA-N	583.688	2.967	0	40	KFAB	
Cc1cc(C)n2c(SCC(=O)N3CCNC(=O)[C@H]3CC(=O)Nc3ccc(Oc4ccccc4)cc3)nnc2n1	59781704	IDMDCZINXQBBJY-JOCHJYFZSA-N	545.625	2.981	0	40	KFAB	
O=C(c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1)N1CCN(C(=O)c2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)CC1	100568463	JNWWRXMTGBUCGZ-CYDSCAFXSA-N	616.674	2.908	0	40	KFAB	
CCn1cc(C(=O)NCc2ccc(OC)cc2OC)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1	102920865	IZSWIKQBMWXDOU-UHFFFAOYSA-N	541.674	2.978	0	40	KFAB	
COC(=O)c1cc(NC(=O)[C@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)cc(C(=O)OC)c1	216456791	JDVJGLPTGBFECV-IBGZPJMESA-N	502.589	2.873	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	222596036	JELZLFDRZLTDNW-NFBKMPQASA-N	531.675	2.988	0	40	KFAB	
C[C@H](C(=O)NCCc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222701863	JQRYMPZIXCYVHM-XMMPIXPASA-N	565.692	2.863	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	225561606	ICFLFUWPLDFYGK-HSZRJFAPSA-N	505.596	2.526	0	40	KFAB	
CCOC(=O)c1oc2cc(OC[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)ccc2c(=O)c1-c1cscn1	245284027	PVMPTMQZVPQGRW-BBDMRMKHSA-N	661.638	2.598	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	260908788	PULMNDWUTZEQPT-MOPGFXCFSA-N	505.637	2.802	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O	260940643	ISDGXNBIWRWDDJ-OALUTQOASA-N	517.648	2.996	0	40	KFAB	
CCC(C)(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	299818021	YLXBZBPHTNJZQE-LSKWPJNVSA-N	591.753	2.911	0	40	KFAB	world
COc1cccc(OC)c1C(=O)NN1C[C@H](C(=O)OCC(=O)Nc2ccc(Br)c(Cl)c2)CC1=O	408661500	WCDYBIYWQOXXIO-GFCCVEGCSA-N	554.781	2.795	0	40	KFAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)O)cc3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	409100843	VKCCLLQJLQFLCC-ZKZBLMLZSA-N	565.648	2.584	0	40	KFAB	
COC(=O)COc1c(Cl)cc(C(c2c(O)n(C)c(=S)n(C)c2=O)c2c(O)n(C)c(=S)n(C)c2=O)cc1Cl	409108784	ZCEZIWFCXPELKD-UHFFFAOYSA-N	589.479	2.670	0	40	KFAB	
O=S1(=O)CC[C@H](N(CC[C@@H]2CCCO2)S(=O)(=O)c2cc(Br)ccc2Br)C1	575420898	FOFNIPFTBUTHMS-KBPBESRZSA-N	531.288	2.959	0	40	KFAB	
Cc1cc(OC[C@]2(CC(=O)N3CCOCC3)CN(C(=O)Cc3c(C)noc3C)CCO2)ccc1Cl	585284022	GQENZLCMOARRPH-VWLOTQADSA-N	505.999	2.721	0	40	KFAB	
CCCCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N2CCC(OC)CC2)CC(=O)N[C@@H](Cc2ccccc2)C1=O	643584574	DTNHYIZLPWIWHP-SVBPBHIXSA-N	578.710	2.561	0	40	KFAB	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCCO4)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1	660637	DQDZHQJKBZKJMZ-VVNKCDPRSA-N	536.606	2.975	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	997665	TZLGWYKNUITBDC-VVOOWDFBSA-N	510.568	2.530	0	40	KFAB	
CCOc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(Cc2cccc(OC)c2)C(=O)c2snc(C(N)=O)c2N)cc1	6601709	KIKQSJHJKQDMSI-ZJSXRUAMSA-N	567.668	2.910	0	40	KFAB	
COc1cc([C@@H]2c3cc4c(cc3[C@H](OC(=O)CCC(=O)O)[C@@H]3COC(=O)[C@H]32)OCO4)cc(OC)c1OC	17299361	FQGIDCZRZSKLJZ-QQOSJILYSA-N	514.483	2.825	0	40	KFAB	biogenic,in-vitro
O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1Cc1ccc(F)cc1)N1CCN(Cc2ccco2)CC1)OCO3	22873004	JZGUQTROFLJANO-AREMUKBSSA-N	543.559	2.931	0	40	KFAB	
CC(C)[C@@]1(NC(=O)[C@H]2C=C3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O	60027352	HEFIYUQVAZFDEE-JGQKLOMVSA-N	609.727	2.627	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(S(=O)(=O)N4CCCC4)ccc3OC)C2)cc1	60028907	TZIUJTULBMFDLQ-GOSISDBHSA-N	537.660	2.528	0	40	KFAB	
O=C(NCc1nnc(SCC(=O)N2CCc3ccccc32)n1-c1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1	97985082	DDKHOHPYJIUITC-UHFFFAOYSA-N	618.741	2.900	0	40	KFAB	
O=S(=O)(NC1CCCC1)c1ccc(S(=O)(=O)N2CCC(c3nc(O)c4nnn(Cc5ccccc5)c4n3)CC2)cc1	100446595	ODWDLTITNMIKTD-UHFFFAOYSA-N	597.723	2.764	0	40	KFAB	
Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@@]1(CC(O)=N2)C(=O)N(Cc2nnnn2-c2ccc(F)cc2)c2ccccc21	101409656	KIXGDEQFYIADJJ-MHZLTWQESA-N	562.529	2.786	0	40	KFAB	
CN(CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)S(=O)(=O)c1ccc2ccccc2c1	103053842	RTSWYJBTQGMOFE-UHFFFAOYSA-N	572.709	2.720	0	40	KFAB	
CC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@@H]1Oc1cccc(Nc2nc(-c3ccc(C)cc3)nc3ccccc23)c1	103677688	DTQGGFOPSZLQAV-VVAPRYPQSA-N	530.581	2.671	0	40	KFAB	
O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1[C@@H]3C4C5[C@]6(C[C@@H]7[C@H](C[C@]516)C7(Br)Br)[C@H]2[C@@H]43	104283805	KDSIPDSSIYSVPH-NDGFFDNKSA-N	503.194	2.914	0	40	KFAB	
CS(=O)(=O)N(CCCC(=O)Nc1ccccc1C(=O)NCc1cccnc1)c1ccc2c(c1)OCCO2	224351339	SKOLIZOYEJKHLG-UHFFFAOYSA-N	524.599	2.968	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	224405606	NGGQRZKRFNRRDN-HSZRJFAPSA-N	556.106	2.863	0	40	KFAB	
CS(=O)(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc2c(c1)OCCO2	224549202	IMQYFUNSGMLJRO-UHFFFAOYSA-N	537.660	2.817	0	40	KFAB	
CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O	245238381	MLLNBNIWCJUKEH-VIRINCGLSA-N	582.698	2.757	0	40	KFAB	
CCCCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3)C2)cc1	408657943	QFCRGSAOJAXNQI-GOSISDBHSA-N	515.950	2.972	0	40	KFAB	
Cc1cc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)no1	408677742	FBUFCZPYBCTBSL-UTRBVEOOSA-N	513.550	3.382	0	40	KFAB	
CCN1C(=O)/C(=c2\sc3n(c2=O)[C@H](c2cccc(OC)c2)C(C(=O)OC(C)C)=C(C)N=3)c2ccccc21	409142394	CWOKTKSUGCJFFN-UGUGFTGJSA-N	517.607	2.932	0	40	KFAB	
CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)c2=O)=N1	409160024	SBJOJJHWUPFTMT-CTHKJOMYSA-N	665.765	2.842	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)c(=O)n2[C@H]1c1ccc(SC)cc1	409163542	TVNPQHRNJMVJEX-OXIKZWMZSA-N	593.727	2.758	0	40	KFAB	
COc1cc(CN2CCN(C(C)=O)C[C@@](O)(COc3ccccc3)C2)ccc1OCCCn1ccnc1	585272253	LZIGBISHTKFDLQ-MUUNZHRXSA-N	508.619	2.835	0	40	KFAB	
COc1ccc(CN2CCC3(CCOc4cc(-c5cccnc5)ccc4S(=O)(=O)N4C[C@H](O)C[C@H]4C(=O)N3)CC2)cc1	1548889054	FLSSWJIGCQDFST-VPUSJEBWSA-N	592.718	2.815	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1	630911	UXNOBMGWMBAJDM-LJJBLSSYSA-N	524.595	2.833	0	40	KFAB	
Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccco3)N3CCN(C(=O)c4ccco4)CC3)cc12	1382060	SJPKRDWLCKBCNE-DEOSSOPVSA-N	513.558	2.913	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1	8425848	QYHSZHFLXCDOKQ-LNXFQTKESA-N	580.615	2.666	0	40	KFAB	
Cc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@@H](C(=O)NC3CCCC3)c3ccc(O)cc3)n2)o1	12702735	JOXMQHYXXWCKDR-XUZZJYLKSA-N	508.579	2.755	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O	12864565	JAYZNMHHFMYTAX-SANMLTNESA-N	528.631	2.974	0	40	KFAB	
C/C(=C\C(=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	100732480	MINDHVHHQZYEEK-ZQGIVQFJSA-N	500.629	2.593	0	40	KFAB	biogenic,in-vitro
CCOCCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)sc2cc(S(N)(=O)=O)ccc21	100873618	DNYCRMSGXHWNHV-LCUIJRPUSA-N	566.727	2.693	0	40	KFAB	
CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(Cl)c(Cl)c1	140060011	WWWSEVRCNKCVEO-UHFFFAOYSA-N	530.415	2.989	0	40	KFAB	
CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	222883971	SRVKIKHTKCOADL-QHCPKHFHSA-N	522.643	2.779	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O	224024926	DQHROBFVGKFVLY-INIZCTEOSA-N	512.028	2.677	0	40	KFAB	
CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	224542891	KPPGEWNDNYZCOZ-JOCHJYFZSA-N	533.647	2.566	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O	225399594	JHZLDLLUGOUVMJ-RBUKOAKNSA-N	517.648	2.996	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)O)c(I)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409050496	WNEGROSIFVBOMO-TWBUYNNTSA-N	736.537	2.817	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(CCOC)c3C)c(=O)n2[C@H]1c1cccc(OC)c1OC	2174856	MWVLBBYYLRCRLG-FCKOQQNDSA-N	539.654	2.880	0	40	KFAB	
Cn1c(=O)c(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)c(N)n(Cc2ccccc2)c1=O	2643845	PCGVNOJNQWDSOF-UHFFFAOYSA-N	543.580	2.991	0	40	KFAB	
Cc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(Cc2ccc(F)cc2)C(=O)c2snc(C(N)=O)c2N)o1	12715087	IZVQHXXRPYFBQO-OXQOHEQNSA-N	515.567	2.544	0	40	KFAB	
COc1ccc(CN(C(=O)Cn2nnc(-c3ccc(C)o3)n2)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccco2)cc1	17376561	NDOUIQQYMGEAJA-OFVILXPXSA-N	534.573	2.908	0	40	KFAB	
Cc1ccc(NC(=O)C[S@@](=O)CC(=O)N(CC(=O)NC2CCCCC2)c2ccc3c(c2)OCCO3)cc1	20097815	DWONMGOJQXATEP-QNGWXLTQSA-N	527.643	2.936	0	40	KFAB	
COc1ccc([C@@H]2CN3C(=O)CN(CCCN4CCOCC4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1	20610702	CUFWRUHWAVLWIX-IADCTJSHSA-N	502.615	2.930	0	40	KFAB	biogenic
O=C(OC[C@@H]1O[C@H](n2cc(F)c(=O)[nH]c2=O)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1	79418573	JJFICUPIRKNFIU-SRNFOCHHSA-N	574.517	2.881	0	40	KFAB	biogenic
CC(C)[C@H]1OC(=O)/C=C\C=C/C=C\C=C/C=C\C[C@@H](O)[C@@H](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	100134850	GBVIQYQFMPWELT-CSNGIJQNSA-N	650.850	2.795	0	40	KFAB	in-vitro
C[C@H](OC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	102975722	AEOKJLZDPMDDOE-KRWDZBQOSA-N	579.678	2.754	0	40	KFAB	
CC(=O)NS(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1	103010204	JLNXIXMWOLSFOZ-UHFFFAOYSA-N	533.550	2.570	0	40	KFAB	
C[C@@H](CCc1ccccc1)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	150386573	ZUBIZHLVPXTGGA-MHZLTWQESA-N	713.879	2.629	0	40	KFAB	
CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	222916725	NOQKWNXMGZXKRU-JOCHJYFZSA-N	519.664	2.844	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O	223002379	YROGULMNZGYBOJ-INIZCTEOSA-N	526.453	2.777	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCSc3nc(-c4ccccc4)n[nH]3)CC2)cc1	226074801	IJSBSMSLJDSPHU-UHFFFAOYSA-N	501.634	2.790	0	40	KFAB	
CS(=O)(=O)N(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NCCO)Cc1ccccc1	260714133	ASTNLZPYHCDSPS-AREMUKBSSA-N	558.100	2.850	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccc(Cl)cc43)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1	409115099	IJVMARAKKNNFOB-HWNIBJRTSA-N	570.023	2.800	0	40	KFAB	
CS(=O)(=O)CC[C@H](C(=O)OCC(=O)c1ccc(F)cc1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O	409178426	HUTBUZKIHIXLNE-QGZVFWFLSA-N	516.330	2.958	0	40	KFAB	
CCOc1cc(CN2CCC(N=c3nc[nH]c4sc(C(=O)N5CCOCC5)c(C)c34)CC2)ccc1OCCO	585294158	OXLZATUPLDAMTJ-UHFFFAOYSA-N	555.701	2.740	0	40	KFAB	
COCC(=O)N1C[C@H](CC(C)C)N(C(=O)/C=C/c2cccc(C(F)(F)F)c2)CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)C1	643551604	ZDCIOHNYFZZPMD-CJMPPQSCSA-N	588.664	2.984	0	40	KFAB	
Cc1nccn1CCC(=O)N1CC[C@@H]2NC(=O)[C@@H](Cc3ccccc3)NC(=O)C3(CC=CC[C@@H]2C1)CCOCC3	1615105758	CQXXHCNHQXBHLB-KWXIBIRDSA-N	547.700	2.789	0	40	KFAB	
CN1CC2(CCCCc3ccccc3OCC1=O)CCN(C(=O)CC1CCN(S(C)(=O)=O)CC1)CC2	2037949683	OXMXGCMKBTWSNO-UHFFFAOYSA-N	519.708	2.921	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3/C(=O)N(CC)c4ccccc43)c(=O)n2[C@H]1c1ccccc1OC	1103783	SYAXXAMPJGGDMZ-MOBKVPTQSA-N	503.580	2.544	0	40	KFAB	
CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)NCC(=O)OC(C)(C)C	5461730	DYJGHQWHYDJVBG-RTBURBONSA-N	509.669	2.818	0	40	KFAB	
COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(OC)c(OC)c2)cc1	6973709	FEUYRAZTRCSQPR-WZONZLPQSA-N	569.640	2.533	0	40	KFAB	
O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl	12620045	HWGGTLGUPPNXME-DEOSSOPVSA-N	517.007	2.847	0	40	KFAB	
COc1ccccc1C[C@H](NC(C)=O)C(=O)NC1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1	13565680	RWMDHOLEZYCPIP-NRFANRHFSA-N	527.565	2.731	0	40	KFAB	
COc1ccc(-c2nc(S(=O)(=O)c3ccc4c(c3)OCCO4)c(NCCN3CCOCC3)o2)cc1	13726638	WBMUOGYMNFIENV-UHFFFAOYSA-N	501.561	2.698	0	40	KFAB	
COCCn1nnnc1[C@@H](c1cc2cc(C)c(C)cc2[nH]c1=O)N1CCN(c2ccccc2OC)CC1	19973225	SIWSMODEQUTHHG-RUZDIDTESA-N	503.607	2.698	0	40	KFAB	
O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1	20031601	MISATMGGIYLWMY-VWLOTQADSA-N	527.668	2.677	0	40	KFAB	
COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(c3ccccc3OC)CC2)cc1OC	59929400	NGELGEUOTADWFD-HSZRJFAPSA-N	539.654	2.951	0	40	KFAB	
CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(Cl)cc1Cl	139687939	XKDAMKUQSISNFJ-UHFFFAOYSA-N	530.415	2.989	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)C2)cc1	222587982	BJLBMGDLFVVSIL-GOSISDBHSA-N	509.650	2.683	0	40	KFAB	
CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222776947	OOKKGCLIHWNUEK-FQEVSTJZSA-N	552.093	2.929	0	40	KFAB	
CCNS(=O)(=O)c1cc(C(=O)N2C[C@H](C(=O)NCc3ccccc3)Oc3ccccc32)ccc1OC	222913654	UYEZKENJHKVXCN-HSZRJFAPSA-N	509.584	2.718	0	40	KFAB	
COc1ccc(CCNC(=O)[C@H](Cc2ccccc2)N(Cc2ccccc2)C(=O)CN(C)S(C)(=O)=O)cc1	223042979	LFKKQJJNYRMQFB-MHZLTWQESA-N	537.682	2.885	0	40	KFAB	
CSc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)cc1C(=O)N1CCC(C)CC1	224239338	VTIKUBGVOMEGLJ-UHFFFAOYSA-N	555.744	2.888	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O	225390313	LJBGLNHWOASKAX-AWEZNQCLSA-N	502.420	2.931	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	225444258	OZIYSJRPHXYXPB-VQTJNVASSA-N	517.648	2.946	0	40	KFAB	
CC(=O)N1CCC(C(=O)N2CCC(COc3cccc(Cl)c3)(CC(=O)N3CCN(C)CC3)CC2)CC1	257228053	FSCDSEOQEVJFNZ-UHFFFAOYSA-N	519.086	2.750	0	40	KFAB	
COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)c2ccc(OC)c(I)c2)c1	408545820	AIXJFBOEKYROQU-UHFFFAOYSA-N	505.286	2.674	0	40	KFAB	
Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(N2C[C@H](C(=O)NCCN3CCOCC3)CC2=O)cc1	408577044	ICPUAOYFKXLVRZ-HXUWFJFHSA-N	573.488	2.885	0	40	KFAB	
COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)C(c3ccccc3)c3ccccc3)C2)cc1	408654171	JZQXEHBAAACFBZ-NRFANRHFSA-N	501.539	2.889	0	40	KFAB	
O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1	408679650	JDLWRTCSOAQANP-HXUWFJFHSA-N	503.596	2.915	0	40	KFAB	
CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)C2=O)cc1	409152473	BEQHAHMGENRARF-PXLXIMEGSA-N	525.583	2.998	0	40	KFAB	
CCc1nccn1CCOc1cc(CN2CCN(C(=O)COC)C[C@@](O)(COc3ccc(C)cc3)C2)ccc1OC	585272323	MIXXGUVZLXYABK-WJOKGBTCSA-N	566.699	2.942	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OCCn3cc(C)cn3)c(OC)c2)C[C@](O)(COc2cc(F)cc(F)c2)C1	585274944	SAWXBBKYAXJQEV-GDLZYMKVSA-N	574.625	2.658	0	40	KFAB	
CC(=O)N1CCC(C(=O)N2CCCCNC(=O)c3cc(Cl)ccc3OC[C@@H](CC(C)C)NC(=O)C2)CC1	643557092	WMJFULJCJZRVNB-JOCHJYFZSA-N	535.085	2.860	0	40	KFAB	
Cc1cnn(CC(=O)N(C)CCC[C@H]2C(=O)N(C)CCCCC3(CCN(C(=O)OC(C)(C)C)CC3)COCC(=O)N2C)c1	643560946	OBGKFVXSYHIUBK-VWLOTQADSA-N	604.793	2.933	0	40	KFAB	
COc1cccc([C@@H](C(=O)NCc2ccccc2)N(CCN2CCOCC2)C(=O)Cn2nnc3ccccc32)c1	932002	RERVDYCZBRXIOK-LJAQVGFWSA-N	542.640	2.658	0	40	KFAB	
CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)C(=O)N[C@@H](CCC(=O)Oc1ccccc1)C(N)=O	4016606	QYVVHYYWZLGGLY-FCHUYYIVSA-N	541.601	2.759	0	40	KFAB	
COc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(O)c2)cc1OC	6074432	RZKNTTBMDPUXIK-HXUWFJFHSA-N	527.603	2.850	0	40	KFAB	
COc1ccc(CCNC(=O)c2c(N)n(CCCN3CCOCC3)c3nc4ccccc4nc23)cc1OC	19892025	DFLNBVINZFRYEA-UHFFFAOYSA-N	518.618	2.879	0	40	KFAB	
COc1ccccc1CN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)Cc1nnnn1C[C@@H]1CCCO1	20109369	HHQLQILNMDZGMI-NRFANRHFSA-N	518.574	2.676	0	40	KFAB	
CCOC(=O)C1=C(COC(=O)Cc2csc(NC(=O)c3ccco3)n2)NC(=O)N[C@@H]1c1ccc(C)o1	24970027	IMGMAKLUHMLZCH-LJQANCHMSA-N	514.516	2.847	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1	38145207	UMFFDNVBYXVLOE-UHFFFAOYSA-N	550.703	2.509	0	40	KFAB	
COc1ccc(CCNC(=O)c2ccccc2NC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1OC	60028568	XARQLRHOHFCWTL-RUZDIDTESA-N	539.610	2.842	0	40	KFAB	
Cc1cc2cc3c(cc2n2c(SCC(=O)Nc4ccc(S(=O)(=O)N5CCOCC5)cc4)nnc12)OCO3	100329309	ARGLEGOOTQPHHC-UHFFFAOYSA-N	541.611	2.671	0	40	KFAB	
COc1ccc(CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C(=O)NC[C@@H]2CCCO2)c2cccs2)cc1	100377952	BWHNATNAZOTYGH-HFZDXXHNSA-N	583.688	2.967	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(=O)c(-c4nc(C)cs4)coc3c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	103692499	LODGFUDXZVUDFR-OKVCRBTPSA-N	589.575	2.687	0	40	KFAB	
C[C@H](C(=O)NCc1ccncc1)N(Cc1ccc(F)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O	222861970	PBPBRNSVMMHSBF-HXUWFJFHSA-N	512.607	2.716	0	40	KFAB	
CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	223109487	YEKPCWVLCXUSHL-HSZRJFAPSA-N	505.596	2.607	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O	223578256	IQOPEVDWDFHQOE-LJQANCHMSA-N	503.621	2.823	0	40	KFAB	
COc1ccc(-c2nnc(NC(=O)CCc3cc(S(=O)(=O)N4CCOCC4)ccc3OC)s2)cc1	223951229	RSKXELFUWRDZTF-UHFFFAOYSA-N	518.617	2.815	0	40	KFAB	
Cc1cccc(N(CCCC(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)c1	224328207	WXLUPKLMTNELTL-UHFFFAOYSA-N	523.677	2.521	0	40	KFAB	
CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225090735	XFTLWLUYFSRQCL-OAQYLSRUSA-N	503.621	2.557	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	260880085	BWSALSZQZKZOOG-MOPGFXCFSA-N	535.663	2.810	0	40	KFAB	
CO[C@@H](C)C(=O)Oc1cc(OC(=O)[C@@H](C)OC)cc2occ(-c3ccc(C[C@H](OC)C(=O)O)cc3)c(=O)c12	263583696	UBHJPIKJBUVABO-GTQRCTGISA-N	528.510	2.983	0	40	KFAB	
COc1cc(C(c2c(O)n(C)c(=S)n(C)c2=O)c2c(O)n(C)c(=S)n(C)c2=O)cc(Br)c1OC	409064100	BORKOHGFHFPZLH-UHFFFAOYSA-N	571.475	2.591	0	40	KFAB	
CCOc1ccc(NC(SCC(=O)NCc2ccc(OC)cc2)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1	409377773	KPHIADYTTHKDGR-UHFFFAOYSA-N	512.588	2.817	0	40	KFAB	
Cc1ccc(C(=O)O)cc1S(=O)(=O)N(Cc1ccccc1)[C@@H]1CS(=O)(=O)C[C@H]1NCc1ccccc1	575426043	LGYCDPDMVJNKQE-DNQXCXABSA-N	528.652	2.840	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OCCCN3CCCCC3=O)cc2)C[C@](O)(COc2ccccc2)C1	585280558	POMKAEJNBJDPCW-SSEXGKCCSA-N	539.673	2.569	0	40	KFAB	
COc1cc([C@H](C(=O)NC(C)(C)C)N(Cc2ccc(F)cc2)C(=O)c2snc(C(N)=O)c2N)ccc1O	6074420	XSXRERQKXVSRKP-HXUWFJFHSA-N	529.594	2.976	0	40	KFAB	
CCOc1cc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(C(=O)OC)Nc3nnnn32)ccc1O	10232021	RVICYOCNJODODA-GOSISDBHSA-N	500.309	2.865	0	40	KFAB	
CCOC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)N3CCN(C(=O)OCC)CC3)cc2)cc1C	11847464	CJZXLRQWLPJMSC-UHFFFAOYSA-N	509.606	2.948	0	40	KFAB	
CCn1cc(C(=O)OCC(=O)N2[C@@H](C)CCC[C@@H]2C)c(=O)c2cc(F)c(N3CCN(C(C)=O)CC3)cc21	13076106	IXIUZDZRNOIDLO-ROUUACIJSA-N	514.598	2.775	0	40	KFAB	
Cc1ccc(CNC(=O)Cn2nc3n(C(C)C)c(=O)c4ccc(C(=O)NC5CCCC5)cc4n3c2=O)cc1	64581475	BBAFBRJIGWWYIF-UHFFFAOYSA-N	516.602	2.689	0	40	KFAB	
COCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1	222734151	YRITYMKNSZCLDS-HXUWFJFHSA-N	501.649	2.630	0	40	KFAB	
Cc1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)cc1S(=O)(=O)N1CCCCCC1	224223737	XWWBYOWTUUWYIJ-UHFFFAOYSA-N	523.677	2.619	0	40	KFAB	
O=S1(=O)NC[C@H](O)CN(Cc2cccs2)C[C@]2(COc3cc(-c4ccccc4F)ccc31)C[C@H](O)[C@H](O)C2	253406081	UDVHTUBFVMYXMK-UAUZMGQXSA-N	562.685	2.590	0	40	KFAB	
CC(=O)N1CCC(C(=O)N2CCC[C@](COc3cccc(Cl)c3)(CC(=O)N3CCOCC3)C2)CC1	257289862	QAMVUYLIWDIWLT-SANMLTNESA-N	506.043	2.835	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1ccc(OC)cc1)[C@H](C)C(=O)NC(C)(C)C)c1ccc2c(c1)OCO2	260741587	AXCPOCVWRXEGRP-GOSISDBHSA-N	533.647	2.912	0	40	KFAB	
CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1	408925670	SFFHXKNBEFNEND-SCRHHBKZSA-N	566.632	2.757	0	40	KFAB	
CC(=O)c1cccc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c1	409025580	TUJDRGZPIWHLOD-XMMPIXPASA-N	527.624	2.592	0	40	KFAB	
COc1ccc(OCCNC(=O)[C@@H]2CC(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc3ccccc3)COc3ccccc3C(=O)N2)cc1	643568162	MHLYKBIXDHKTID-JWZRJXMASA-N	616.715	2.640	0	40	KFAB	
O=C(c1ccc2c(c1)OCO2)N1CCCCC2(CCN(Cc3ccccc3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1	643578533	FSNKRNBUYXAYCM-LOSJGSFVSA-N	538.641	2.979	0	40	KFAB	
COc1c2ccoc2nc2c(OC)c(O[C@@H]3O[C@H](C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)ccc12	8740249	VEPUODFCYPKQKH-IXKIBIRISA-N	517.487	2.917	0	40	KFAB	
CCn1cc(C(=O)N[C@@H](CCSC)C(=O)NCCc2ccc(O)cc2)c(=O)c2cc3c(cc21)OCO3	8878963	NUCUFXJQMPVBSL-FQEVSTJZSA-N	511.600	2.666	0	40	KFAB	biogenic
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccnc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OCC)c1	9046280	QJCHMVXJORWPHH-NWKGEQBZSA-N	507.568	2.517	0	40	KFAB	
O=C(COC(=O)CNS(=O)(=O)/C=C/c1ccccc1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl	17574834	FIECWVXKVDDZFS-SDNWHVSQSA-N	556.062	2.587	0	40	KFAB	
COc1cc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCc4ccccc4C3)c(=O)[nH]c2cc1OC	20080586	IEJRIOUCNQWMME-CPJSRVTESA-N	502.575	2.859	0	40	KFAB	
CCOc1ccc(/C=C2\SC(=O)N(CCNC(=O)[C@@H]3CS[C@@]4(C)CCC(=O)N34)C2=O)cc1OC	32989028	PYKTUFMYUVOBIR-XVGVPAQSSA-N	505.618	2.700	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1Cl	59837986	OOIWZBYTRFQEDA-UHFFFAOYSA-N	622.165	2.919	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)C2)cc1	59838768	MPAXHLKYNBJJKL-OAQYLSRUSA-N	535.688	2.587	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O	223407137	PAUBFNPHDASTFV-UHFFFAOYSA-N	539.676	2.518	0	40	KFAB	
CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc(I)c1OCC(=O)O	409021986	HBOJDHBPUIONDF-RQZCQDPDSA-N	579.347	2.993	0	40	KFAB	
CCc1cccc2c(/C=C3\SC(=O)N(CC(=O)N4CCOCC4)C3=O)cn(CC(=O)N3CCCC3)c12	409142916	LTUBYMGAMRFCAR-STZFKDTASA-N	510.616	2.721	0	40	KFAB	
CCOC(=O)COc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc1I	409236794	HOKZAOUBZFFCEN-GZTJUZNOSA-N	579.347	2.773	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)N[C@@](C)(c4ccc(Cl)cc4Cl)C3=O)CC2)cc1	3440743	RTAJDICSMGSGET-QHCPKHFHSA-N	539.441	2.602	0	40	KFAB	
CCOc1ccc2[nH]c(=O)c(CN(CCN(CC)CC)C(=S)NCCCN3CCOCC3)cc2c1	6193361	GHEBWNIGCMXDFC-UHFFFAOYSA-N	503.713	2.667	0	40	KFAB	
C[C@H](C(=O)NC1CCCC1)N(C(=O)C[S@](=O)CC(=O)Nc1ccc(F)cc1)c1ccc2c(c1)OCCO2	8666916	AVAFVJUTTCCPCU-GSAPITJQSA-N	531.606	2.765	0	40	KFAB	
CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N(CC)CC(=O)Nc3ccc(OC)cc3)c2)CC1	13015209	VAJGFMQTJJPKGY-UHFFFAOYSA-N	523.055	2.776	0	40	KFAB	
COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O	30757268	YSWBIPQTLIIFJK-UHFFFAOYSA-N	504.030	2.748	0	40	KFAB	
C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1)c1ccccc1	59838928	WXUDXBZUZSMCPR-LJQANCHMSA-N	531.656	2.672	0	40	KFAB	
O=C(O)C1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)n2c(=O)[nH]c3ccccc3c2=O)CC1	70706374	JXTXVUSKLMQUOX-SVBPBHIXSA-N	568.630	2.524	0	40	KFAB	biogenic
C[C@H](CCCOS(=O)(=O)O)[C@@H]1CC[C@H]2[C@H]3[C@H](OS(=O)(=O)O)C[C@H]4C[C@H](OS(=O)(=O)O)CC[C@]4(C)[C@@H]3C[C@H](OS(=O)(=O)O)[C@@]21C	72400309	PSPMMBBPCMUWKR-JXJRVHAKSA-N	714.852	2.665	0	40	KFAB	in-vitro
CCN(CC)S(=O)(=O)c1ccc2oc(SCC(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)nc2c1	103085338	LRUWYNCDBFTQQX-UHFFFAOYSA-N	568.699	2.610	0	40	KFAB	
COC(=O)Cn1c(=O)c(C(=O)CSc2nc3ccccc3n2CC(C)C)c(N)n(Cc2ccccc2)c1=O	103130399	PHCIUMNAHXZGIF-UHFFFAOYSA-N	535.626	2.794	0	40	KFAB	
COC(=O)C1=C(C(=O)OC)[C@H]2O[C@H]1C(COC(=O)NC1CCCCC1)=C2COC(=O)NC1CCCCC1	104204743	GEQBPOXOLBBJQT-VXKWHMMOSA-N	520.579	2.824	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O	222651816	MMVXADIHVAHPBG-AWEZNQCLSA-N	502.420	2.931	0	40	KFAB	
Cc1cccc(CN(C(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)c1	222732286	VLVRBOHFQPRIGV-IBGZPJMESA-N	517.648	2.864	0	40	KFAB	
CCOc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1CN(C)S(=O)(=O)c1ccccc1	224815281	UYCGYDHKUKXDGS-UHFFFAOYSA-N	503.602	2.806	0	40	KFAB	
Cc1ccc(S(=O)(=O)NCCNC(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1	226075220	NXDQUEXJXFLBHP-UHFFFAOYSA-N	534.487	2.797	0	40	KFAB	
COc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc(I)c1OCc1ccccc1F	408594205	SWFJOBMRMBWKBU-VIZOYTHASA-N	526.258	2.995	0	40	KFAB	
CCOc1c(Cl)cc(C(c2c(O)n(C)c(=S)n(C)c2=O)c2c(O)n(C)c(=S)n(C)c2=O)cc1OC	409095673	DFSFPRQUFVDDJC-UHFFFAOYSA-N	541.051	2.872	0	40	KFAB	
CC(C)[C@H](O)c1nc2ccccc2c(=O)n1[C@@H]1C[C@]2(OC1=O)c1ccccc1N1C(=O)C(C)(C)N(O)[C@@H]12	1775964162	UWJPYPZTQNRUNI-SHYROUOXSA-N	504.543	2.626	0	40	KFAB	biogenic,in-vitro
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3OC(C)=O)c(=O)n2[C@H]1c1ccc(OC)cc1	2058637	CPRGVNRMJWPGPY-PLQXQRLBSA-N	550.589	2.658	0	40	KFAB	
CCOC(=O)C1CCN([C@H](c2cc3cc(OC)ccc3[nH]c2=O)c2nnnn2Cc2ccc(OC)cc2)CC1	6194792	HDTKSUVKCBGHNZ-RUZDIDTESA-N	532.601	2.945	0	40	KFAB	
COc1ccc(NC(=O)Cn2c(=O)n(Cc3nc(-c4ccccc4)no3)c(=O)c3cc4c(cc32)OCO4)c(OC)c1	8593949	BKQUVNMIJHTVNH-UHFFFAOYSA-N	557.519	2.646	0	40	KFAB	
Cc1ccc(-c2nnn(CC(=O)N(CCCO)[C@H](C(=O)NC3CCCC3)c3ccc(Cl)cc3)n2)o1	12702307	AWODRHKYLYHHBF-QFIPXVFZSA-N	500.987	2.906	0	40	KFAB	
CCCCCN(C(=O)CCC(=O)OCC(=O)N1[C@H](C)CCC[C@H]1C)c1c(N)n(CCCC)c(=O)[nH]c1=O	12897486	LPIKHZTUYDISMQ-RTBURBONSA-N	521.659	2.555	0	40	KFAB	
COc1ccc(C2=NC(C(F)(F)F)(C(F)(F)F)c3c(n(Cc4cn(C)nc4C)c(=O)[nH]c3=O)N2)cc1	13959450	IVBNVWIMVFVHQU-UHFFFAOYSA-N	516.402	2.828	0	40	KFAB	
COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4ccccc4OC)CC3)cc2c1	19940668	NIBCWZFHTOKMQF-QFQXNSOFSA-N	531.617	2.622	0	40	KFAB	
CS(=O)(=O)N(CC(=O)NCc1ccccc1-n1ccnc1)c1ccc(I)cc1	20048506	DNQUOVQCBUEHHP-UHFFFAOYSA-N	510.357	2.559	0	40	KFAB	
Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1	20111644	FVMGYOWJFMBYID-INIZCTEOSA-N	515.057	2.906	0	40	KFAB	
Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CN(S(C)(=O)=O)c4ccccc4O3)cc2)c1	20493368	VFUOUSRDVSHHLW-QFIPXVFZSA-N	501.586	2.962	0	40	KFAB	
Cc1ccc(C)c(N2CCN(C(=O)CN3N=C(c4nc(-c5ccc6c(c5)OCO6)no4)CCC3=O)CC2)c1	72329737	YJGZSLGWDXSLAN-UHFFFAOYSA-N	516.558	2.757	0	40	KFAB	
O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1	103012998	BMEUZIXLMAEEFQ-UHFFFAOYSA-N	536.657	2.536	0	40	KFAB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1CCCN1CCOCC1	223135697	DKVKVEMYMFSVPG-UIOOFZCWSA-N	512.724	2.527	0	40	KFAB	
C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1F)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	225163554	PTYOTSVQSGXDMP-QGZVFWFLSA-N	501.580	2.836	0	40	KFAB	
S=C(NCC1(c2cccc(Cl)c2)CCOCC1)Nc1nc(N2CCOCC2)cc(N2CCOCC2)n1	225997922	UNPLEFSBKVYHOK-UHFFFAOYSA-N	533.098	2.838	0	40	KFAB	
O=C1[C@H]2[C@H](C(=O)N1CCCCCCN1C(=O)[C@@H]3[C@H](CO)N[C@]4(C(=O)N(Cc5ccccc5)c5ccccc54)[C@@H]3C1=O)[C@@]1(N[C@H]2CO)C(=O)N(Cc2ccccc2)c2ccccc21	585139073	OQESVVINOMNKPR-UQJOLOBWSA-N	836.946	2.562	0	40	KFAB	
CC(=O)N1CCCN(Cc2cccnc2)CCN(C(=O)Cc2csc(NS(C)(=O)=O)n2)Cc2ccccc21	643564809	HLKUOKLMRVAZBV-UHFFFAOYSA-N	556.714	2.740	0	40	KFAB	
Cc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@@H](C(=O)NC3CCCC3)c3ccc(F)cc3)n2)o1	885988	LJSHFAOBZGPGLA-AREMUKBSSA-N	553.639	2.732	0	40	KFAB	
COc1ccc(C(=O)OCC(=O)NC(=O)NCc2ccco2)cc1S(=O)(=O)N1CCCc2ccccc21	2649739	BZYCRNMBFOBUPS-UHFFFAOYSA-N	527.555	2.613	0	40	KFAB	
CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O	70704795	GLXWTQTYBUNYIV-OYUWMTPXSA-N	570.646	2.817	0	40	KFAB	biogenic
CCN(C(=O)COC(=O)c1ncc(Cl)c(Cl)c1Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	72136517	VYNXVQXSNBFUPP-UHFFFAOYSA-N	526.764	2.732	0	40	KFAB	
CN1C[C@@]2(Cc3ccccc3)c3ccccc3N[C@@]2(NC(=O)C(=O)N[C@]23Nc4ccccc4[C@@]2(Cc2ccccc2)CN(C)C3=O)C1=O	150384308	CUPHGIBQOXLNCO-XGEXKBAQSA-N	640.744	2.768	0	40	KFAB	
O=c1[nH]c(=O)n(-c2ccc(I)cc2)c(O)c1C(c1ccccn1)c1c(O)n(-c2ccc(I)cc2)c(=O)[nH]c1=O	163565694	FMWREPSAFAOXKG-UHFFFAOYSA-N	749.259	2.561	0	40	KFAB	
COc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3c(F)cccc3Cl)CC2)cc1S(=O)(=O)N1CCOCC1	215926897	IGPVSZZZTOTOOH-UHFFFAOYSA-N	590.095	2.689	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	222531050	QLKCFYDXSPTNMA-QGZVFWFLSA-N	524.039	2.821	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	222980216	QDBVFUXBUSKSDR-LJQANCHMSA-N	503.621	2.905	0	40	KFAB	
CCN(CC)C(=O)C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1CN(C(=O)c1cnccn1)CC2=O	253401522	NDKUFSTWNPIBDI-GUBXLBAESA-N	505.619	2.791	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)[C@H](C)C(=O)NCC(C)C)cc1	260875530	GLMRBXBVFUASFF-LJQANCHMSA-N	522.643	2.637	0	40	KFAB	
O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	409332786	RFGUZZODGIIPFT-UHFFFAOYSA-N	543.048	2.871	0	40	KFAB	
COc1cc2cc([C@@H](c3nnnn3C3CCCC3)N3CCN(C(=O)c4ccco4)CC3)c(=O)[nH]c2cc1OC	6239466	UOUONPNMSHYZGO-DEOSSOPVSA-N	533.589	2.787	0	40	KFAB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CCC(C(=O)N[C@@H](CC(C)C)C(=O)O)CC2)cc1	8918094	CSUKDYZETKBOHS-VXKWHMMOSA-N	509.669	2.542	0	40	KFAB	biogenic
COc1ccc(C(=O)OCC(=O)Nc2sccc2C(N)=O)cc1S(=O)(=O)Nc1ccc(C)cc1	12586607	ZLHVFVGUPCFBLT-UHFFFAOYSA-N	503.558	2.760	0	40	KFAB	
COc1ccccc1-c1nn2c(=O)cc(CN3CCN(C(=O)COc4ccc(F)cc4)CC3)nc2s1	35536031	VOXGVKYAYCKOER-UHFFFAOYSA-N	509.563	2.689	0	40	KFAB	
COc1cc2cc(CN(Cc3nnnn3Cc3ccc(F)cc3)C[C@H]3CCCO3)c(=O)[nH]c2cc1OC	57640423	WWXBSHZVOICCOR-OAQYLSRUSA-N	508.554	2.900	0	40	KFAB	
CC(C)[C@]1(NC(=O)[C@H]2C=C3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O	60027353	HEFIYUQVAZFDEE-WSPXPQNKSA-N	609.727	2.627	0	40	KFAB	
CC[C@@H](C)[C@H](NC(=O)CNC(=O)Cc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O)C(=O)NCCCC(=O)O	70704658	JGKATYOGDQRRHS-PWECECGKSA-N	555.628	2.943	0	40	KFAB	biogenic
COc1ccc(/C=C2/SC(=O)N(CCNC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)C2=O)cc1	97675933	ZMFASNCGKVEYMK-RCCKNPSSSA-N	515.613	2.946	0	40	KFAB	
COc1ccc(/C=C2\SC(=O)N(CCNC(=O)[C@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)C2=O)cc1OC	97980315	LELMMVZCQPKHML-QWUOEIFBSA-N	553.593	2.681	0	40	KFAB	
COC(=O)Cn1c(=O)c(C(=O)COC(=O)c2ccc(Oc3ccccc3)cc2)c(N)n(Cc2ccccc2)c1=O	103074662	VMDGRRRJVJAUDE-UHFFFAOYSA-N	543.532	2.646	0	40	KFAB	
CS(=O)(=O)N(CC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCCCO)Cc1ccccc1	223009958	MILUPXMOAVOONQ-MHZLTWQESA-N	537.682	2.587	0	40	KFAB	
COc1ccc(NC(=O)CCCN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1S(=O)(=O)N1CCOCC1	224311774	NVOZTNPDZOMOBJ-UHFFFAOYSA-N	539.676	2.518	0	40	KFAB	
CC(C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	224690784	JJHWUKYAUWUKNR-HNNXBMFYSA-N	522.421	2.536	0	40	KFAB	
CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	225263890	QBDQELKJBLAFEL-NRFANRHFSA-N	523.627	2.943	0	40	KFAB	
COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)N([C@H](C(=O)O)C(C)C)C(=O)[C@@H]54)[C@@H]23)ccc1O	245241434	DNCGAAGWWHHLHQ-ZCFQVQGFSA-N	530.624	2.733	0	40	KFAB	
Cc1cc(NC(=O)COC(=O)[C@@H](C(C)C)N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)no1	408677731	FBUFCZPYBCTBSL-HYNLWJAYSA-N	513.550	3.382	0	40	KFAB	
CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(OCC(=O)O)c(I)c2)C1=O	409108673	YJNVAFCTEJBLJX-AWNIVKPZSA-N	505.286	2.743	0	40	KFAB	
COCC(=O)N1CCN(Cc2cccc(OCCCn3cccn3)c2)C[C@](O)(COc2ccc(F)c(F)c2)C1	585274926	RSCFTVUFDZQXJQ-MUUNZHRXSA-N	544.599	2.731	0	40	KFAB	
COc1ccc(C[C@H](NC(=O)[C@@H]2C[C@H](NC(=O)Nc3cccc(SC)c3)CN2C(=O)C=C(C)C)C(N)=O)cc1	4200922	KOLBWVYPHMINFJ-OYDLWJJNSA-N	553.685	2.687	0	40	KFAB	biogenic,in-vitro
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc4c(c3)n(C)c(=O)n4C)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	8454210	HZGBZODLAGVAIK-FOOGSPQISA-N	594.649	2.855	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	8765599	DQXUTWTXGXUFON-JGTYQCAFSA-N	524.595	2.833	0	40	KFAB	
CCOc1cc(CNc2ccc(N3CCOCC3)c(C(=O)OC)c2)cc(Br)c1OCC(N)=O	9907720	YIMNCLNTNALQNA-UHFFFAOYSA-N	522.396	2.947	0	40	KFAB	
Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(O)cc2)cc1C	12474017	HIENZCIGFSCHSB-UGKGYDQZSA-N	523.615	2.830	0	40	KFAB	
COc1ccc(CCNC(=O)[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C(C)C)cc1	13751377	ITGLJAFSVJDFKD-VWLOTQADSA-N	515.676	2.904	0	40	KFAB	
COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4ccccc4)CC3)cc2c1	19940654	GMYAKHDNHCYAPM-WIOPSUGQSA-N	501.591	2.614	0	40	KFAB	
Cc1cc(N(CC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)ccc1Br	22365088	BYEDYXTXDMUFFR-CQSZACIVSA-N	503.440	2.804	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)Cc2ccccc2)cc1Cl	59837952	SQHACTKWWJEQOF-UHFFFAOYSA-N	538.047	2.503	0	40	KFAB	
CCO[P@](=O)(O)c1ccccc1OCCOCCOCCOCCOc1ccccc1[P@@](=O)(O)OCC	68592349	LORCEHUPDMMUII-UHFFFAOYSA-N	562.489	2.889	0	40	KFAB	
CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1	85867539	WIGHCPZBXOGLKE-OFSPLTJPSA-N	780.993	2.882	0	40	KFAB	biogenic
CCC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C	100332046	QCHODQYHGOOTOS-OAQYLSRUSA-N	543.068	2.734	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc2)cc1	103053820	SPQUOJZKFMPIOL-UHFFFAOYSA-N	529.640	2.850	0	40	KFAB	
CC(C)(C)OC(=O)N[C@H](Cc1cc(I)c(N)c(I)c1)C(=O)O	139412735	OFCKMLUMKIGWIG-SNVBAGLBSA-N	532.116	2.998	0	40	KFAB	
CC(C)(C)c1ccc(Cn2nnc3c(O)nc(C4CCN(S(=O)(=O)c5ccc(S(=O)(=O)N6CCOCC6)cc5)CC4)nc32)cc1	150404971	ZUDZKTLOSYCOJI-UHFFFAOYSA-N	655.803	2.862	0	40	KFAB	
COc1ccc(NS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)cc1S(=O)(=O)N1CCCCC1	223875124	KEHHDUZWKZVXQQ-UHFFFAOYSA-N	517.655	2.507	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1ccccc1C)[C@@H](C)C(=O)NC(C)C)c1ccc2c(c1)OCO2	225489381	MRGZEPSQZFQZJJ-IBGZPJMESA-N	503.621	2.822	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)cc1C	226047458	PQBKZMKDEJGDDC-UHFFFAOYSA-N	549.715	2.548	0	40	KFAB	
CC(C)C[C@]1(O)CCN(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C[C@@H]1Oc1ccc(F)cc1	257232991	GNFPGMZSZJNXSV-AHKZPQOWSA-N	549.665	2.716	0	40	KFAB	
COc1cc([C@@H]2c3cc4c(cc3[C@H](OC(=O)CCC(=O)O)[C@H]3COC(=O)[C@@H]23)OCO4)cc(OC)c1OC	263596425	FQGIDCZRZSKLJZ-QHUGRKKISA-N	514.483	2.825	0	40	KFAB	biogenic,in-vitro
COc1ccc(/C=C2\SC(=O)N(CCNC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)C2=O)cc1	12540175	ZMFASNCGKVEYMK-QNGOZBTKSA-N	515.613	2.946	0	40	KFAB	
Cc1ccc(NC(=O)CSCC(=O)OCC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)c(C)c1	12684346	FQFLLEMJDLDHAR-FQEVSTJZSA-N	504.630	2.739	0	40	KFAB	
Cc1ccc(N(CC(=O)NC2CCCCC2)C(=O)C[S@@](=O)CC(=O)Nc2ccc3c(c2)OCO3)cc1	19941255	YVDHBSPDDJDNKT-PSXMRANNSA-N	513.616	2.893	0	40	KFAB	
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)n1	38754915	HMYVVZQKGIZMRO-UHFFFAOYSA-N	503.606	2.607	0	40	KFAB	
CCCc1cc(=O)oc2c(C)c(O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)ccc12	70691884	XUZASKXKTDZLAB-BYBMWWPSSA-N	548.541	2.516	0	40	KFAB	biogenic
CCOC(=O)c1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]32)cc1	101387680	XWHAOADMAGLZGJ-ZWKOTPCHSA-N	500.309	2.558	0	40	KFAB	
COC(=O)CSc1nnc(NC(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccc(C)cc2)s1	224748886	DIRCUJDZFYNSSA-UHFFFAOYSA-N	522.630	2.954	0	40	KFAB	
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)NC[C@H]1COc2ccccc2O1	260901770	NTRXNSGUBMVMAY-IBGZPJMESA-N	514.531	2.748	0	40	KFAB	
CC(=O)Nc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Cl)c(Cl)c3)C2)cc1	408652228	FYJAIZDXBGQUOX-AWEZNQCLSA-N	507.330	2.627	0	40	KFAB	
COc1cc(OC)cc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)c1	408654052	JHGKNDJCBCUOKM-ZDUSSCGKSA-N	510.330	2.686	0	40	KFAB	
COc1ccccc1C(=O)NN1C[C@@H](C(=O)OCC(=O)Nc2ccc(Br)cc2Cl)CC1=O	408660096	UOZFAAZJSFPACH-LBPRGKRZSA-N	524.755	2.786	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(=O)OC)cc3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409047231	LXXWOMHBRXXZQQ-SCRHHBKZSA-N	594.642	2.535	0	40	KFAB	
O=C(COC(=O)c1ccc(S(=O)(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1)c1ccccc1	990811	IRNSMYHBTBLZDC-UHFFFAOYSA-N	529.592	2.580	0	40	KFAB	
COC(=O)c1cc(Br)c(=O)n(CCCCn2cc(C(=O)OC)cc(Br)c2=O)c1	2293697	XAWHOJXSVYRNRC-UHFFFAOYSA-N	518.158	2.589	0	40	KFAB	
Cc1cccc(-n2c(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nnc2SCC(=O)Nc2nccs2)c1	3632429	WYAGMMYWUUHXMD-UHFFFAOYSA-N	571.710	2.943	0	40	KFAB	
COc1ccc(C[C@H](NC(C)=O)C(=O)NC2CCN(c3c(Cc4ccccc4)c(C)nc4ncnn34)CC2)cc1OC	8690197	IBCHTWWTIMJOBA-SANMLTNESA-N	571.682	2.873	0	40	KFAB	
CCOC(=O)C1=C(N)Oc2cc(C)n(Cc3cccnc3)c(=O)c2[C@@H]1c1cc(OC)c(OC)c(OC)c1	8964872	CMVRZAJBGVLZCI-NRFANRHFSA-N	507.543	2.884	0	40	KFAB	biogenic
COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1	12531857	KMGZKIWFEXFUFM-UHFFFAOYSA-N	502.014	2.636	0	40	KFAB	
COc1ccc(NC(=O)Cn2c(=O)n(Cc3nc(-c4ccccc4)no3)c(=O)c3ccccc32)cc1OC	62728303	ZWRFJYWVRRKKFC-UHFFFAOYSA-N	513.510	2.917	0	40	KFAB	
NS(=O)(=O)c1cc(C(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)cc(NCc2ccco2)c1Cl	102525334	KBCOTBFQNNVQMF-UHFFFAOYSA-N	521.935	2.759	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3c4ccc(F)cc4-c4ccccc4S3(=O)=O)CC2)cc1	139731338	SAZLSALURJHKTM-UHFFFAOYSA-N	529.615	2.843	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2ccccc2OC)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)c1	223041553	PMYHUWAGRZHNKI-SFHVURJKSA-N	505.637	2.802	0	40	KFAB	
CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O	223454625	IKLKOHPPEOOKKF-HSZRJFAPSA-N	505.637	2.803	0	40	KFAB	
CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223590658	RTXMLBHFWHYRHW-JOCHJYFZSA-N	517.648	2.948	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O	223786532	KKQYWUFZLOOGLE-HNNXBMFYSA-N	514.417	2.908	0	40	KFAB	
CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	223956911	KTFTUGKMGYZFOH-HNNXBMFYSA-N	522.421	2.537	0	40	KFAB	
CCCn1c(=O)sc2cc(S(=O)(=O)NCCOc3ccc(S(=O)(=O)N4CCCC4)cc3)ccc21	224351060	MLCHZWBJZGCVKH-UHFFFAOYSA-N	525.674	2.615	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O	225455350	KLWBMBXYTYEQAZ-AWEZNQCLSA-N	608.296	2.983	0	40	KFAB	
CCn1cc(C(=O)N2CC[C@H](Oc3cccc(Br)c3)[C@@H](CC(=O)N3CCOCC3)C2)cn1	257227742	FQRXKMVOYMZULW-UWJYYQICSA-N	505.413	2.824	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)[C@H](C)C(=O)NC(C)C)c1	260737398	MFVPIBLWNLXLLP-OAQYLSRUSA-N	518.680	2.867	0	40	KFAB	
C[C@H](NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1)c1ccc(S(C)(=O)=O)cc1	260915074	CKGBSGGPSMCVLA-GAJHUEQPSA-N	500.598	2.924	0	40	KFAB	
CCOC(=O)COc1ccc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)cc1I	409064716	DTARPKTWZYEREK-CEITULEQSA-N	519.313	2.831	0	40	KFAB	
COc1cc([C@@H]2Nc3cc(Cl)c(S(N)(=O)=O)cc3S(=O)(=O)N2)ccc1OCc1ccccc1	3219915	ARZHLHMSIDTNNH-OAQYLSRUSA-N	509.993	2.978	0	40	KFAB	
CCCCCN(C(=O)CCC(=O)O[C@@H](C)C(=O)NC1CCCCC1)c1c(N)n(CCCC)c(=O)[nH]c1=O	12553298	CKXOWKIDBQFAKW-SFHVURJKSA-N	521.659	2.603	0	40	KFAB	
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(Cl)cc3)CC2)N[C@H]1c1ccc(OC)cc1OC	19817892	MCLFVRKXEOBTIZ-YADHBBJMSA-N	500.983	2.886	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1	22520516	DOBKDLOBMCUTBJ-MRXNPFEDSA-N	513.663	2.581	0	40	KFAB	
CN1C(=O)N(C)C(=O)C(Cc2c(Cl)cccc2Cl)(CN2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)C1=O	100746828	HSWLJIAFHIOTFA-HOTGVXAUSA-N	517.413	2.854	0	40	KFAB	
O=C([C@@H](Cc1ccccc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1	100764439	XUMDLSPMECLYGW-KMDXXIMOSA-N	503.599	2.846	0	40	KFAB	
COc1cc2nc(CN(Cc3nc4cc(OC)c(OC)cc4c(=O)[nH]3)Cc3ccco3)[nH]c(=O)c2cc1OC	102851922	OUORCGLIAKHVGF-UHFFFAOYSA-N	533.541	2.989	0	40	KFAB	
COc1ccccc1N(CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)S(=O)(=O)c1cccs1	103052901	WXYVCBOFCUKKCZ-UHFFFAOYSA-N	551.668	2.612	0	40	KFAB	
COc1ccc(CN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NCCCO)cc1	223225783	AIHAVAZDRCPSKG-NDEPHWFRSA-N	567.708	2.596	0	40	KFAB	
CC[C@@H](NC(=O)CCc1cc(S(=O)(=O)N2CCOCC2)ccc1OC)c1ccc(OC)c(OC)c1	223876385	PBRAWGFGCYVZMJ-OAQYLSRUSA-N	506.621	2.933	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	224797602	POAFJUJLPSUHMK-MRXNPFEDSA-N	510.012	2.778	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1	225636322	QDIUDRRDWZUERC-UHFFFAOYSA-N	549.715	2.644	0	40	KFAB	
CCc1cc2c(=O)c(-c3nc(C)cs3)coc2cc1O[C@H](C)C(=O)N[C@@H](CCCNC(N)=O)C(=O)O	256027864	HALZLNPMUVRHCC-DYVFJYSZSA-N	516.576	2.573	0	40	KFAB	
COc1ccc(CN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)[C@H](C)C(=O)NCc2ccccn2)cc1	260725312	UNIVJKBCZJAMJQ-OAQYLSRUSA-N	524.643	2.586	0	40	KFAB	
C[C@@H](C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O	408702334	BKCNNQMNSMSNDM-INIZCTEOSA-N	513.538	2.980	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	408987749	QZUPPZYODIISFR-YOKWNPFVSA-N	540.594	2.538	0	40	KFAB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	409151276	AWFGCWIIXKGAEH-GXXBNVPDSA-N	653.713	2.902	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OC)c(OCCCN3CCCCCC3=O)c2)C[C@](O)(COc2ccccc2)C1	585278924	AZXXTCBWFRNVKJ-JGCGQSQUSA-N	583.726	2.967	0	40	KFAB	
CCn1c(=O)n(CC)c2cc(C(=O)N3CCN(C)CCCN(C(=O)COC)c4ccccc4C3)ccc21	643555248	WZICXPOSBKDGGW-UHFFFAOYSA-N	507.635	2.800	0	40	KFAB	
COc1ccc(NC(=O)[C@H](c2csnn2)N(C(=O)CN2C(=O)c3ccccc3C2=O)C2CC2)c(OC)c1	8748699	JXGDXBZTQUVRFA-QFIPXVFZSA-N	521.555	2.522	0	40	KFAB	
CCOC(=O)c1nn(-c2ccccc2)c(=O)c2c(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)scc12	11757899	UGFPCYOQRIGEKM-UHFFFAOYSA-N	568.633	2.897	0	40	KFAB	
NC(=O)c1nsc(C(=O)N(Cc2ccco2)[C@H](C(=O)NCc2ccccc2)c2ccc(O)cc2)c1N	12474380	GSUFUGDWQOHZER-NRFANRHFSA-N	505.556	2.823	0	40	KFAB	
O=S(=O)(c1cccc(-c2cs/c(=N\c3ccccc3)n2CCN2CCOCC2)c1)N1CCOCC1	13751468	IGOKADLQWYFAHM-QPLCGJKRSA-N	514.673	2.802	0	40	KFAB	
CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1	14412918	UZGCCVDRHBJAGC-UHFFFAOYSA-N	518.455	2.884	0	40	KFAB	
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(Cl)cc3)CC2)N[C@H]1c1cc(OC)c(OC)c(OC)c1	20674928	OKRQOTFGFROZNO-YADHBBJMSA-N	531.009	2.894	0	40	KFAB	
CCOC(=O)N1CCN(C(=O)COc2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)CC1	22233232	KFGBPMWJMAIQOP-UHFFFAOYSA-N	510.012	2.986	0	40	KFAB	
Cc1cc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2cc1C	22870263	LKOZNGZAISLSIB-NEKDWFFYSA-N	557.655	2.946	0	40	KFAB	
COc1ccc(CCN2C(=O)[C@@H]3[C@@H](C(=O)Nc4cc(C)on4)[C@]4(C)C=C[C@]3(O4)[C@H]2C(=O)NC(C)(C)C)cc1	33939921	NSDQYXOKVQAGLP-YRSIHWJWSA-N	522.602	2.628	0	40	KFAB	
CCN(C(=O)COC(=O)/C=C/c1c(C)nn(-c2ccccc2)c1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	72104269	BBGGHJCVHPSHNQ-FOCLMDBBSA-N	542.596	2.579	0	40	KFAB	
CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCO5)coc3c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	79210040	MJRFCSQUAHKKFK-OVFXHNNVSA-N	626.567	2.693	0	40	KFAB	biogenic
O=C(CCCn1c(=O)c2ccccc2n(CC(=O)NCCC2=CCCCC2)c1=O)NCc1ccc2c(c1)OCO2	101304928	KHXBOMDIXRFMGW-UHFFFAOYSA-N	546.624	2.995	0	40	KFAB	
CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)c(Cl)c3)C2)c1	222537131	OSWMUXAMDHDCBP-OAHLLOKOSA-N	516.041	2.605	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O	222651679	LSEJAEBCXZXFIR-AWEZNQCLSA-N	502.420	2.931	0	40	KFAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)OCO4)c(=O)n2[C@@H]1c1ccccc1OC	409093814	AJMWANRJZYRVBX-MGSPXPDISA-N	505.596	2.841	0	40	KFAB	
COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)ccc1OCC(=O)N1CCOCC1	409197834	PUUDMTAHKZCKAP-HMAPJEAMSA-N	525.583	2.916	0	40	KFAB	
CC(C)C[C@H]1NC(=O)CC[C@@H](C(=O)NCCOCc2ccccc2Cl)NC(=O)c2ccccc2OCCN(C)C1=O	643579708	BKFYBTMXPLWGEU-LOSJGSFVSA-N	587.117	2.933	0	40	KFAB	
CN(C)CCN1CCN(C(=O)c2ccc3c(c2)Cc2cccc(c2)CN(C2CCOCC2)CCOCCO3)CC1	643579821	HLNGBRNCQFOFND-UHFFFAOYSA-N	550.744	2.987	0	40	KFAB	
O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1	20481721	NSYFPFZADQWQCE-INIZCTEOSA-N	506.631	2.983	0	40	KFAB	
CC(=O)O[C@H]1[C@@H](n2cc(I)c(=O)[nH]c2=O)O[C@H](COC(=O)c2ccc(C)cc2)[C@H]1OC(=O)c1ccc(C)cc1	33355336	NRUPRHFQGBCWJJ-AZKZNFPZSA-N	648.406	2.670	0	40	KFAB	biogenic,in-vitro
COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1	59838793	FGNWUDJNCPITAR-UHFFFAOYSA-N	556.106	2.850	0	40	KFAB	
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O	70701167	QHVMQTKFXOUXCO-HJOGWXRNSA-N	536.629	2.620	0	40	KFAB	biogenic
C[C@@H]1N[C@]2(C(=O)N(CC(=O)N3CCc4ccccc43)c3ccccc32)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12	100166574	MFHRRANWHRMBCO-NRJIGUHDSA-N	520.589	2.611	0	40	KFAB	
COc1ccc(CCN2C(=O)NC(=O)[C@@]3(Cc4c(nc5c(C)cccn5c4=O)N4CCc5ccccc5[C@@H]43)C2=O)cc1OC	101670747	ZUOAONDVUWSROA-NYFMKLKXSA-N	593.640	2.988	0	40	KFAB	
CC[C@H](Sc1nc2cc3c(cc2c(=O)n1CCCC(=O)NCc1ccc(OC)cc1)OCO3)C(=O)N1CCOCC1	102755515	KVTXXEAWUGMLJX-VWLOTQADSA-N	582.679	2.960	0	40	KFAB	
CCOC(=O)c1sc(NC(=O)COC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)c(C(=O)OCC)c1C	103137332	GZCANTOHRCNKTI-UHFFFAOYSA-N	582.653	2.999	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)C2)cc1	215969772	XXJTVSNLKZRHKP-IBGZPJMESA-N	559.670	2.942	0	40	KFAB	
CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](OCCOC(C)=O)[C@@H](O)[C@H]3O)c2n1	220572106	VDQCATJZBYAKMC-FYEBJQQMSA-N	564.615	2.585	0	40	KFAB	in-vitro
C[C@H](C(=O)NC[C@H]1CCCO1)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1	222736043	GQZGKTKSEHBGFO-HYBUGGRVSA-N	513.660	2.772	0	40	KFAB	
CCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O	225406606	TXAHMNQEWRHLNB-OAQYLSRUSA-N	505.637	2.803	0	40	KFAB	
CC(=O)O[C@H]1[C@@H](O)[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@@]23CO[C@@]2(C(C)(C)O)CC[C@](C)(O2)[C@@H]13	253505160	QSNYUAFLCYWOJS-OBFRHMHYSA-N	678.860	2.809	0	40	KFAB	biogenic,in-vitro
COc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1C(=O)N1CCCCCC1	408693142	JFVICWQECREVPQ-UHFFFAOYSA-N	515.632	2.947	0	40	KFAB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCC(=O)OC)c(I)c4)c(=O)n32)cc1OCC	408932043	BAYJVIJWILKMRM-VPVLBGOXSA-N	678.501	2.972	0	40	KFAB	
CCOc1cc(/C=c2\sc3n(c2=O)[C@@H](c2cc(OC)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)ccc1OCC(=O)N1CCOCC1	409160196	SZYMUVBJWWANDZ-QYIOYSLNSA-N	665.765	2.840	0	40	KFAB	
COc1ccc(NC(=O)[C@@H](OC(=O)c2ccc(Cl)cc2)[C@@H](OC(=O)c2ccc(Cl)cc2)C(=O)O)nn1	409376155	VGMGHSOOPYUBHF-RBUKOAKNSA-N	534.308	3.266	0	40	KFAB	
O=S(=O)(N1CCOCC1)N1CCC(N2CCC(Oc3ncc(C(F)(F)F)cc3Cl)CC2)CC1	618256626	KHWYMDONDDWNGS-UHFFFAOYSA-N	512.982	2.638	0	40	KFAB	
CCCOc1c(OC)cccc1[C@H]1C(C(=O)OC)=C(C)N=c2s/c(=C\c3ccc4c(c3)OCO4)c(=O)n21	2177364	ARAROTWWAYNAHU-VZIOXZNFSA-N	522.579	2.934	0	40	KFAB	
COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCCC(C)C)c2ccco2)c(OC)c1	6134602	UNXZVARWOGQSBR-FQEVSTJZSA-N	515.592	2.985	0	40	KFAB	
Cc1ccc(NC(=O)C[S@](=O)CC(=O)N(CC(=O)NC2CCCCC2)c2ccc3c(c2)OCCO3)cc1	12473533	DWONMGOJQXATEP-DIPNUNPCSA-N	527.643	2.936	0	40	KFAB	
COc1ccc(CCN(CC(=O)NC2CCCC2)C(=O)Cn2nnc(-c3ccc(C)cc3)n2)cc1OC	12480311	FHSNKSXNBNUYNI-UHFFFAOYSA-N	506.607	2.796	0	40	KFAB	
CCOc1ccc(Br)cc1S(=O)(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	12566163	TZVOSEYXVDTLJW-UHFFFAOYSA-N	505.412	2.670	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN(c3ccc(Cl)c(Cl)c3)S(C)(=O)=O)CC2)cc1	13612403	HOMWCCPEHAQQBA-UHFFFAOYSA-N	520.460	2.601	0	40	KFAB	
CCCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2C(=O)OC)C1	16837214	XVXFGCLSILPOSY-UHFFFAOYSA-N	507.634	2.576	0	40	KFAB	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Cl)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1	34942166	KYYVKCPDBFJTFO-AFHVAHMMSA-N	512.971	2.996	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)cc1	59838615	BBLPCHGFPBMHJA-MRXNPFEDSA-N	534.487	2.961	0	40	KFAB	
Cc1cc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)ccc1-n1cnnn1	100336820	HTQSRVUQQNMCTP-FIPFOOKPSA-N	569.601	2.924	0	40	KFAB	
COC(=O)[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3OC)CC2)c2ccccc2O1	222593881	NRXCDBXUABBBKF-FQEVSTJZSA-N	508.980	2.717	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1	225429980	BVTTXYOMEHFRGR-IBGZPJMESA-N	541.601	2.956	0	40	KFAB	
COC(=O)/C=C/CC/C=C/[C@H](OC)[C@H](O)[C@H](C)[C@H](O)/C(C)=C/[C@@H](C)C(=O)CCC[C@@H](CC(N)=O)CC(=O)O	252516317	RSNBAEGFNZIXPM-CATPEMPCSA-N	539.666	2.713	0	40	KFAB	biogenic,in-vitro
CC(=O)Nc1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1	408684397	JWZBWNMJOLDVTI-CQQGMMLSSA-N	503.555	2.769	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(O)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC	408979927	DLWBDZVSPHFCCJ-IMEWXKHHSA-N	510.568	2.530	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3C)OCO4)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1	408985835	NOWKNIUXFKHHBA-IZBTWGKQSA-N	552.605	2.861	0	40	KFAB	
O=C(Cc1ccccc1)N1CCCCC2(CCN(Cc3ccncc3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1	643578413	VXPSQBYUKFXJOX-IZZNHLLZSA-N	509.647	2.574	0	40	KFAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N(C)CCOc2ccc(C)cc2)CC(=O)N[C@H](Cc2ccccc2)C1=O	643579309	XSCCGZNZCZRUTK-WDYNHAJCSA-N	600.716	2.989	0	40	KFAB	
CCN(CC(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl	20031099	XCVVDDCOINFXHY-UHFFFAOYSA-N	508.449	2.571	0	40	KFAB	
C[C@H]1CCc2c(sc3nc(CN4CCOCC4)nc(NCCc4ccc(S(N)(=O)=O)cc4)c23)C1	25392489	CHNXGDRRSPJJHC-INIZCTEOSA-N	501.678	2.950	0	40	KFAB	
COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(Cc2ccccc2)C(=O)c2snc(C(N)=O)c2N)cc1OC	38145146	OLXWZOLDKFMFMJ-JPYJTQIMSA-N	553.641	2.520	0	40	KFAB	
COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)cc1OC	100284297	AAOMFALLFWYTAS-HTAPYJJXSA-N	557.604	2.664	0	40	KFAB	
COc1cccc(-c2nnc(SCC(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCCC3)n2C)c1	103071828	GYKLXEHPNUGRLC-UHFFFAOYSA-N	572.713	2.843	0	40	KFAB	
CCCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222935383	LCATWTUMJCTIQE-QFIPXVFZSA-N	561.701	2.819	0	40	KFAB	
COC(=O)CSc1nnc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccc(C)cc3)c3ccccc3O2)s1	225570614	AGIYPHOBSYKZGE-QGZVFWFLSA-N	520.614	2.707	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225587043	IROMIWDPDZADPJ-RUZDIDTESA-N	551.665	2.918	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1ccc(OC)cc1)[C@@H](C)C(=O)NC(C)C)c1ccc2c(c1)OCO2	225676673	MMNKBJINTRMVRG-SFHVURJKSA-N	519.620	2.522	0	40	KFAB	
O=C(O)CN(Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)c1ccc(-c2ccc(F)cc2)o1	585268728	VHPUTCAOIYTFMX-UHFFFAOYSA-N	502.520	2.834	0	40	KFAB	
COc1cc(CN[C@@H]2C[C@@H](O)CN(C(=O)OC(C)(C)C)C[C@H]2O)ccc1OCCN1CCC(C)CC1	585272104	FPJWQYRGMKLMRT-DNVJHFABSA-N	507.672	2.627	0	40	KFAB	
COCC(=O)N1CCN(CC2(O)CCN(c3cccc(C)c3)CC2)C[C@](O)(COc2ccc(C)c(C)c2)C1	585283735	UEYPRBJRCAVQNZ-SSEXGKCCSA-N	525.690	2.544	0	40	KFAB	
CS(=O)(=O)N1CCC(CC(=O)N2CCC3(CCCCOCCNC(=O)c4ccccc4OC3)CC2)CC1	643563893	GHNBGEZYTJNZRW-UHFFFAOYSA-N	535.707	2.666	0	40	KFAB	
COc1ccc(CNC(=O)CN2CC[C@H]3NC(=O)[C@@H](Cc4ccccc4)NC(=O)C4(CC=CC[C@H]3C2)CCOCC4)cc1	2037879146	ADJGMWHYPZLIKY-GNSPLJBXSA-N	588.749	2.992	0	40	KFAB	
Cc1ccc(-c2nnn(CC(=O)N(c3ccccc3)[C@H](C(=O)NC[C@@H]3CCCO3)c3ccncc3)n2)o1	903985	LJGPOWPVYYRRCE-URXFXBBRSA-N	501.547	2.706	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	8438625	DAUPOYSYGQOGSW-QFXXMJIKSA-N	511.600	2.865	0	40	KFAB	
C[C@@H](C(=O)NC1CCCC1)N(C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1ccc(F)cc1	12709864	PWOJBYPTQSNMDR-FGAOGKJBSA-N	517.579	2.722	0	40	KFAB	
CCCCCN(C(=O)CCC(=O)OCC(=O)c1ccc(F)c(F)c1)c1c(N)n(CCCC)c(=O)[nH]c1=O	12980945	AGYLZXLERIMDAH-UHFFFAOYSA-N	522.549	2.927	0	40	KFAB	
CCN1C(=O)/C(=c2\sc3nc(-c4ccc(OC)c(OC)c4)nn3c2=O)c2cc(Br)ccc21	13749868	BYILZGBXBVIIES-ZCXUNETKSA-N	513.373	2.882	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)COc3cccc(C(F)(F)F)c3)CC2)c(C)c1	32910182	IFEGNMNQEASELN-UHFFFAOYSA-N	514.522	2.777	0	40	KFAB	
CC[C@@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@H](CC(C)C)C(=O)O	70704907	LDVRDOBJIVCDOS-WJXFIBLPSA-N	536.629	2.620	0	40	KFAB	biogenic
COc1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)cc1S(=O)(=O)N1CCOCC1	95569432	BIVXTWBQZMRHML-UHFFFAOYSA-N	545.639	2.794	0	40	KFAB	
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)/N=c3\sc4cc(C)ccc4n3C)cc2)CC1	100843262	BXFOJEWPYMRSBZ-GYHWCHFESA-N	502.618	2.752	0	40	KFAB	
Cc1cc(=O)oc2cc(NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CCC(=O)O)ccc12	150340533	SNPHBYYALNEWEY-HPEBZSCQSA-N	703.793	2.659	0	40	KFAB	in-vitro
Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)s2)c1	225015493	WHDOVBNXRVFXBP-UHFFFAOYSA-N	507.619	2.684	0	40	KFAB	
CCOc1ccccc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@H](C)C(=O)NC)S(C)(=O)=O	260765933	UIIAEWVLEOLOAD-MRXNPFEDSA-N	526.453	2.777	0	40	KFAB	
CCOc1cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)cc(I)c1OCC(=O)OC	409073979	OQCNIERBVWBUNJ-WWNSAXIVSA-N	549.339	2.840	0	40	KFAB	
O=C1CC[C@@H](C(=O)NCCCc2ccccc2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)N1	643566969	NELLIFYAUHPDCV-NSOVKSMOSA-N	570.690	2.940	0	40	KFAB	
O=C(CN1CCC[C@]2(CC=CCOc3ccccc3C(=O)NCCNC2=O)C1)Nc1ccc2c(c1)OCCCO2	2037879897	WCNRWZNKAWYZFI-SSEXGKCCSA-N	548.640	2.754	0	40	KFAB	
CCOC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C	6546565	VKJPEHXWQZILKR-AUSIDOKSSA-N	527.618	2.885	0	40	KFAB	
COc1cccc(C[C@H](NC(C)=O)C(=O)NC2CCN(c3c(Cc4ccccc4)c(C)nc4ncnn34)CC2)c1OC	8690212	YWUUHDUDAYETDT-SANMLTNESA-N	571.682	2.873	0	40	KFAB	
O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(NS(=O)(=O)c2cccs2)cc1	26114183	LJVASNSGQBNHBQ-UHFFFAOYSA-N	507.615	2.822	0	40	KFAB	
COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1	59838881	QWIFTACVTDTYDO-UHFFFAOYSA-N	553.678	2.726	0	40	KFAB	
C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)N1CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC1)C2=O	72142514	HTXHOZHKIXJHGP-CMJOXMDJSA-N	545.489	2.963	0	40	KFAB	
CCOC(=O)CN1C(=O)[C@@]2(N[C@@H](CCSC)[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]32)c2ccccc21	100158912	JFSACOGEXOVPMC-XNZYNNNKSA-N	528.030	2.976	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5)sc4n3)CC2)cc1Cl	102349807	YOPRKXXKATZONC-UHFFFAOYSA-N	532.047	2.987	0	40	KFAB	
COc1ccc(C(=O)N2C[C@@H](C(=O)NCCc3ccccc3)Oc3ccccc32)cc1S(=O)(=O)N(C)C	222910750	LOQCZOLFCJALRH-DEOSSOPVSA-N	523.611	2.712	0	40	KFAB	
COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NCCC(C)C)cc1	223257099	UWUBQLOFCPVLBK-DEOSSOPVSA-N	503.665	2.689	0	40	KFAB	
CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O	223454434	NRRAWEHUCCQXKU-QHCPKHFHSA-N	505.637	2.803	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	223546503	OAWJGOBPLAHMLB-HXUWFJFHSA-N	506.644	2.815	0	40	KFAB	
CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	224729785	WIFALUDFTSVUBM-FQEVSTJZSA-N	517.648	2.866	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	224986820	BQPMTSKKZYWRAE-RBUKOAKNSA-N	505.637	2.802	0	40	KFAB	
COC(=O)[C@]1(c2ccccc2)N[C@H](c2ccc(O)cc2)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21	229921496	YFEFDAGKSLPAEF-CBUXHAPBSA-N	500.507	2.682	0	40	KFAB	
COc1cccc(N2CCC(O)(CN3CCN(C(C)=O)C[C@@](O)(COc4cc(C)cc(C)c4)C3)CC2)c1	585287222	LBIQNOOTLBWEEQ-GDLZYMKVSA-N	511.663	2.618	0	40	KFAB	
CO[C@H]1[C@H](O)[C@@H](O[C@@H]2CC[C@]3(C)[C@@H](CC[C@H]4[C@H]3CC[C@@]3(C)[C@H](C5=CC(=O)OC5)[C@H](OC(C)=O)C[C@@]43O)C2)O[C@@H](C)[C@H]1O	1077995435	UZQOZJNEDXAJEZ-AXWGJPSASA-N	592.726	2.652	0	40	KFAB	biogenic
N[C@H](COc1cc(Cl)ccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O)Cc1ccccc1	2037879505	AHBUQPGLLNRVGP-GMAHTHKFSA-N	509.990	2.831	0	40	KFAB	
COc1ccc(NC(=O)[C@@H](c2csnn2)N(Cc2cccnc2)C(=O)CN2C(=O)c3ccccc3C2=O)c(OC)c1	8695978	FXRZZHASTHMWHY-RUZDIDTESA-N	572.603	2.955	0	40	KFAB	
O=C(NCC(=O)N(c1ccc2c(c1)OCO2)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccccc1)c1ccco1	12486661	MMUCMBJNWRLAIU-CPJSRVTESA-N	505.527	2.808	0	40	KFAB	
COC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)sc2cc(OC)ccc21	100876976	RVZCZPBEFGDDIO-VHXPQNKSSA-N	503.602	2.800	0	40	KFAB	
COc1cc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)ccc1OCC(=O)N1CCOCC1	103020000	LCVZWQYJRIHVLG-BGYRXZFFSA-N	545.658	2.852	0	40	KFAB	
CCc1cc(Br)ccc1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc(C)cc2)C1	138966863	BPJZZHNWFJIREA-KRWDZBQOSA-N	502.365	2.995	0	40	KFAB	
COc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc(I)c1OCC(=O)O	205760467	LNICNXFBIILPHS-AWNIVKPZSA-N	535.312	2.751	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)[C@@H](C)C(=O)NC(C)(C)C)c1	223051642	BHDOVKMQGMXDOB-SFHVURJKSA-N	522.643	2.779	0	40	KFAB	
CC[C@@H](NC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1	223090970	BJKLEOYVSUAVPV-HXUWFJFHSA-N	510.634	2.675	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	225568734	YCPBFEULUDQNSE-DEOSSOPVSA-N	519.623	2.916	0	40	KFAB	
COC(=O)[C@]1(CCSC)N[C@H](c2ccc(OC)cc2OC)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21	245230692	WVBQHKKDSUDZBV-UPUUWEMXSA-N	502.564	2.958	0	40	KFAB	
COc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	408593341	PIDYHSVQAQBHIM-VIZOYTHASA-N	522.283	2.592	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCCC4)cc3)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1	409166540	FFURDDPKHUADTE-FOOGSPQISA-N	621.712	2.825	0	40	KFAB	
CCOc1cc(/C=C2\SC(=O)N(CC(=O)O[C@H](C)CC)C2=O)ccc1OCC(=O)N1CCOCC1	409198566	HXQJVFRXLBATAV-FPXKJXHESA-N	506.577	2.701	0	40	KFAB	
Cc1cc(C)c(S(=O)(=O)NCCN([C@@H]2CCS(=O)(=O)C2)S(=O)(=O)c2cc(C)c(C)cc2C)cc1C	575424564	UAYXWZDHCJRQHT-JOCHJYFZSA-N	542.745	2.693	0	40	KFAB	
CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccco3)N3CCN(C(=O)c4ccco4)CC3)cc2c1	1382384	BXHLUSDEXMBJFC-XMMPIXPASA-N	513.558	2.859	0	40	KFAB	
CCOc1ccc(-n2c(SCC(=O)N(CC)[C@H]3CCS(=O)(=O)C3)nnc2-c2cccnc2)cc1	12546727	QKKPPFCOVDSKSC-IBGZPJMESA-N	501.634	2.856	0	40	KFAB	
CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)NC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1	13565727	BDECLSXBTWCRPS-NRFANRHFSA-N	515.529	2.861	0	40	KFAB	
CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2c1	22866354	DPPYJXCKBLBXPH-NEKDWFFYSA-N	573.654	2.728	0	40	KFAB	
CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)Oc2ccc(Cl)cc21	60028633	JSCXVFAEKOTKGU-HXUWFJFHSA-N	522.992	2.702	0	40	KFAB	
COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1	60060998	WGGDJQMFSAOUIM-OAQYLSRUSA-N	537.704	2.995	0	40	KFAB	
COc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)cc1	103066712	MWNWLEYFSUQCDO-UHFFFAOYSA-N	575.665	2.559	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1	224464760	YFSPEDYQIYISSY-UHFFFAOYSA-N	620.577	2.751	0	40	KFAB	
CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	225434552	WSYHHKPLQVBWBD-QFIPXVFZSA-N	519.664	2.846	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1ccccc1F)[C@@H](C)C(=O)NCC(C)C)c1ccc2c(c1)OCO2	225687749	YNZKOMAJZGAFEH-SFHVURJKSA-N	521.611	2.900	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	260918170	SNJAURUCWLFHEG-MOPGFXCFSA-N	503.621	2.556	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cc1C	408562429	ZXTSMYYHWXBHME-JOCHJYFZSA-N	529.659	2.868	0	40	KFAB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(I)c(O)cc4O)c(=O)n32)cc1OCC	408932000	APSUKTDVHAXSBA-CXUQIOAJSA-N	622.437	2.831	0	40	KFAB	
CCCCN1CCOc2ccccc2CCCC[C@@]2(CN(C(=O)CN3C(=O)c4ccccc4S3(=O)=O)CCO2)C1=O	643557749	WIQOWAMBLIERRB-SSEXGKCCSA-N	583.707	2.863	0	40	KFAB	
COc1cccc(CCNC(=O)[C@@H]2CC(=O)NC3(CCCC3)C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCCOc3ccccc3C(=O)N2)c1	643576579	SZWRQRMFYDYQTC-CONSDPRKSA-N	683.806	2.598	0	40	KFAB	
O=C(OCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)[C@@H]1CS[C@]2(c3cccs3)CCC(=O)N12	3357543	VVMNCROBYUXVAA-CUNXSJBXSA-N	585.729	2.868	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1	4508991	BRPGXOOVRBWRMI-MGSPXPDISA-N	522.579	2.741	0	40	KFAB	
Cc1ccc(C)c(N2CCN([C@H](c3cc4cc5c(cc4[nH]c3=O)OCO5)c3nnnn3C[C@@H]3CCCO3)CC2)c1	6195886	FBRVWZQKWAQBSG-KDYSTLNUSA-N	543.628	2.951	0	40	KFAB	
CCCCn1c(N)c(N(CC(C)C)C(=O)COC(=O)Cc2c(C)nc3ccccc3c2C)c(=O)[nH]c1=O	12545323	HKYPDMUNRARNJD-UHFFFAOYSA-N	509.607	2.859	0	40	KFAB	
COc1ccc(-c2coc3cc(O[C@@H]4O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]4OC(C)=O)ccc3c2=O)cc1	59677436	FTCLAIAXKAGMBI-VQXQMPIVSA-N	598.557	2.931	0	40	KFAB	biogenic,in-vitro
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(OC)cc3OC)S(C)(=O)=O)cc2)cc1	59886553	QLLUZMDLNDUJRZ-UHFFFAOYSA-N	549.627	2.918	0	40	KFAB	
C[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223116600	XYWJXALYVQWYFS-IBGZPJMESA-N	517.648	2.598	0	40	KFAB	
CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O	223454300	JTMKHXQBMKJEBZ-NRFANRHFSA-N	505.637	2.803	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	223485802	DJJWNBNOKWSUGZ-IBGZPJMESA-N	535.663	2.812	0	40	KFAB	
COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	225487608	HRXZWCVFIZRNLZ-UHFFFAOYSA-N	513.613	2.560	0	40	KFAB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc5c(c4)OCO5)c(=O)n32)cc1OCC	408936333	PFMUKVXDIXYODP-KIJDSKARSA-N	508.552	2.544	0	40	KFAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)n(C)c(=O)n4C)c(=O)n2[C@H]1c1ccc(Cl)cc1	409105269	LXVYKFILEMXZMA-NLZIUFDSSA-N	550.084	2.947	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3/C(=O)N(CC)c4ccccc43)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	409145885	QLAJPNJDBFPYIL-ZHHPLPSFSA-N	533.606	2.552	0	40	KFAB	
CC(=O)N[C@@H]1[C@H](Sc2nnc(COc3ccc(C)cc3)n2-c2ccccc2)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	504259643	BAOWBHPLHKZFJM-ZHIRGERTSA-N	626.688	2.903	0	40	KFAB	biogenic
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CC[C@@H](C(=O)N2CCN(C)CC2)NC(=O)c2ccccc2OCCCCCCNC1=O	1615155904	ILWXFUDJPDNMFI-CPCREDONSA-N	690.886	2.667	0	40	KFAB	
CC(C)C[C@H](C(=O)NCc1ccccc1)N(Cc1ccc2c(c1)OCO2)C(=O)c1snc(C(N)=O)c1N	6190491	LVKCKZJNQDODGI-GOSISDBHSA-N	523.615	2.926	0	40	KFAB	
O=C(c1ccc(-n2cnc3ccccc3c2=O)cc1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1	12878210	YJFSYRMHWFNKFP-UHFFFAOYSA-N	510.522	2.811	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2)cc1	59838466	TZPJEJNNHCMTQL-UHFFFAOYSA-N	535.688	2.587	0	40	KFAB	
O=C(OC[C@@]1(O)C[C@H](NC(CO)CO)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1	67665461	GNYGKFJUNIESCR-XZUINBFBSA-N	683.710	2.966	0	40	KFAB	in-vitro
O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NCCN1C(=O)S/C(=C/c2ccc(OC(F)F)cc2)C1=O	103021330	SRORXRVNQMEULH-XAARYENCSA-N	519.526	2.782	0	40	KFAB	
O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NCCN1C(=O)S/C(=C\c2ccc(OC(F)F)cc2)C1=O	103021333	SRORXRVNQMEULH-GOTQHKLKSA-N	519.526	2.782	0	40	KFAB	
COc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccccc1	106624697	MIDSDZMJKFUHJK-UHFFFAOYSA-N	545.639	2.550	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O	223447096	ZEQBIFCRGQFBPV-LJQANCHMSA-N	505.637	2.803	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NCC(C)C)c1ccc2c(c1)OCO2	224302493	ALQHDQLFPYTICI-SFHVURJKSA-N	521.611	2.900	0	40	KFAB	
CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	224680994	HACWEGFZSMKBLA-IBGZPJMESA-N	505.637	2.722	0	40	KFAB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(O)c(OC)c3)c2=O)=N[C@@H]1c1ccc(O)c(OCC)c1	408733051	VDUQWSZHXUJTSK-VVOOWDFBSA-N	510.568	2.726	0	40	KFAB	
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)N3C[C@@H]4C[C@H](C3)CN3C(=O)CCC[C@@H]43)[C@H]21	604403871	AYXVRVLRTNRVFZ-RMUWWKPLSA-N	544.608	2.678	0	40	KFAB	biogenic
COc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccc(F)c(F)c3)cc2)nc(OC)n1	2329396	VEUREYOWVSEISF-UHFFFAOYSA-N	509.516	2.700	0	40	KFAB	
COc1cc([C@@H]2c3cc4c(cc3[C@H](OC(=O)CCC(=O)O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC	4777978	FQGIDCZRZSKLJZ-LXFAFOKJSA-N	514.483	2.825	0	40	KFAB	biogenic,in-vitro
O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1	8815809	IDSCCSUMRGJBBE-UHFFFAOYSA-N	505.961	2.924	0	40	KFAB	
O=C(Nc1ccccc1F)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	9968859	QUUYNIOUHYNIJU-QFIPXVFZSA-N	503.577	2.528	0	40	KFAB	
CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)c1	12599965	NDRCDRVXPJODNM-FQEVSTJZSA-N	515.613	2.521	0	40	KFAB	
COC(=O)c1cc(NC(=O)C[C@@H]2C(=O)N[C@H]3CCCC[C@H]3N2C(=O)Nc2ccccc2)cc(C(=O)OC)c1	22846912	RQPJYDGWYLOZKI-BHDDXSALSA-N	522.558	2.932	0	40	KFAB	
CC(C)CN(C(=O)CN(C)C(=O)/C=C/c1cccc(Br)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	97980255	GZNJMKGMJFJLKV-MDZDMXLPSA-N	534.455	2.698	0	40	KFAB	
O=C(CN(Cc1cccs1)C(=O)C[S@@](=O)CC(=O)Nc1ccc2c(c1)OCO2)NCc1ccccc1	100295015	KLJLJMXCMQRWBP-PSXMRANNSA-N	527.624	2.509	0	40	KFAB	
COc1ccccc1[C@H]1c2sc(=O)[nH]c2S[C@H]2[C@@H]3C[C@H]([C@H]4C(=O)N(CCCC(=O)O)C(=O)[C@H]34)[C@H]12	101175510	XVVGVKNGWMLMJP-ZRMOYRRZSA-N	500.598	2.783	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1	224307485	HPALXKGALGRWAW-UHFFFAOYSA-N	565.714	2.853	0	40	KFAB	
COc1ccc(C)cc1N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccc(C)cc1	224440094	FBWXEVMUFCFPTG-UHFFFAOYSA-N	617.746	2.723	0	40	KFAB	
COc1ccc(N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)cc1OC	224495156	ARJJLAOSQNECBA-FQEVSTJZSA-N	519.664	2.702	0	40	KFAB	
O=C(NCc1ccc(CN2CCOCC2)cc1)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1	224558858	MSDAFMDIPLYLND-AREMUKBSSA-N	507.612	2.792	0	40	KFAB	
Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1S(=O)(=O)N1CCN(C)CC1	225554735	MJPIPRGQMAVXBG-LJQANCHMSA-N	555.122	2.624	0	40	KFAB	
CC(=O)O[C@H]1[C@@H](O)C[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]1C	255248267	NREAGDHHMSOWKZ-DXJNJSHLSA-N	822.986	2.789	0	40	KFAB	in-man
CC(C)CN1C[C@@H](OCc2cccc(F)c2)CN(C(=O)c2ccccc2N2CCC(=O)NC2=O)CC1=O	14531037	YIYUSCHJZZXMBX-OAQYLSRUSA-N	510.566	2.798	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1	20030982	XKIWEUONIWSKFX-UHFFFAOYSA-N	523.677	2.587	0	40	KFAB	
COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2)cc1	102996709	SJUTXSZLWYNMNR-UHFFFAOYSA-N	616.718	2.606	0	40	KFAB	
COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)NCc3ccccn3)c(=O)cc1[C@@H](NC(C)=O)CC2	108449632	PLUXUZYPGNLTEV-QFIPXVFZSA-N	532.597	2.986	0	40	KFAB	biogenic
COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NCCc2ccc(OC)c(OC)c2)cc1	223256111	GEHHYASYEKXVOI-MHZLTWQESA-N	597.734	2.903	0	40	KFAB	
CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	224388530	RIICHEVPZOGHIS-OAQYLSRUSA-N	501.580	2.836	0	40	KFAB	
COC(=O)[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(Cl)c3)CC2)c2ccccc2O1	226080018	JZTIEWVSOKAZAT-NRFANRHFSA-N	508.980	2.717	0	40	KFAB	
CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OC)c2)n2c(s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)c2=O)=N1	409155639	MCOGNWNABWSKFS-AHNSQEAUSA-N	635.739	2.833	0	40	KFAB	
CCOC(=O)COc1ccc(Br)cc1/C=C1\NC(=O)N(Cc2ccc(C(=O)OC)o2)C1=O	409399923	MASBACPPUYBHPO-DHDCSXOGSA-N	507.293	2.864	0	40	KFAB	
CC(C)N1C[C@@H]2C[C@H]1C(=O)NC[C@H]1O[C@H](CCOc3cc(-c4ccccc4)ccc3C(=O)N2)CC[C@@H]1O	514287698	ZIWQZQKIHFCDKW-ZUGAHZRVSA-N	507.631	2.742	0	40	KFAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCOc2ccc(C)cc2)CC(=O)N[C@@H](Cc2ccccc2)C1=O	643579004	NNMAUOTUEZQVQI-NSOVKSMOSA-N	586.689	2.647	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)Cc2ccc(F)cc2)cc1	8694079	GSOOGOWXQXZLNZ-UHFFFAOYSA-N	577.656	2.685	0	40	KFAB	
CCC(=O)c1ccc(OC[C@@H](O)CN2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)cc1	16043964	MXIIRMDJYJCLTG-SFHVURJKSA-N	516.538	2.924	0	40	KFAB	
CO[C@]1(C)O[C@@H](CNc2ccc(S(C)(=O)=O)cc2)[C@H](CNc2ccc(S(C)(=O)=O)cc2)O[C@@]1(C)OC	68603727	GLHCQPXKTMZWJI-CJRSTVEYSA-N	542.676	2.527	0	40	KFAB	
CCN1C(=O)/C(=C/c2cc(I)cc(I)c2O)NC1=S	100274677	RYMGUYSLAUCXLT-WTKPLQERSA-N	500.099	2.679	0	40	KFAB	
O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc(Br)cc1	102100721	GHKGNTBHCKNYAZ-OAQYLSRUSA-N	582.421	2.946	0	40	KFAB	
C[C@]12[C@@H]3[C@@H]4[C@@H]5[C@H]1[C@H]1[C@@H](CC[C@H]1O[C@H]2N1C(=O)CCC1=O)[C@H]5[C@@]1(C)[C@@H](N2C(=O)CCC2=O)O[C@@H]2CC[C@H]3[C@H]2[C@@H]41	104288657	WHKWKQIREHTRPI-LZKMCGQESA-N	520.626	2.551	0	40	KFAB	
CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)ccc1OCC(=O)N1CCOCC1	106702812	ZCGYWNKNAIPLJP-JCMHNJIXSA-N	525.583	2.998	0	40	KFAB	
CCOc1cc(S(=O)(=O)N2CCC(c3nc(O)c4nnn(Cc5ccccc5Cl)c4n3)CC2)c(OCC)cc1-n1cnnn1	150373086	WTZLZLAEQOICLO-UHFFFAOYSA-N	641.114	2.970	0	40	KFAB	
CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	222867775	DSCWNHSQZUVLSX-QFIPXVFZSA-N	535.663	2.810	0	40	KFAB	
CCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	224542822	NDJZQTZUOMZMFY-NRFANRHFSA-N	519.620	2.524	0	40	KFAB	
COc1c(I)cc(I)cc1/C=C1/C(=O)N(C)C(=S)N1C	409043451	FIFNDJKTRIDSQJ-YHYXMXQVSA-N	514.126	2.934	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCCC4)cc3)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1	409166543	FFURDDPKHUADTE-GWXSLXSZSA-N	621.712	2.825	0	40	KFAB	
O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	409247818	BNOHIPMQXIVAFA-MUUNZHRXSA-N	646.813	2.954	0	40	KFAB	
Cc1c(NC(=O)[C@@H](C)OC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c(=O)n(-c2ccccc2)n1C	3237558	IMHVOTXESHHIDX-LJQANCHMSA-N	526.615	2.843	0	40	KFAB	
CCOC(=O)CNC(=O)[C@@H](c1c[nH]c2ccccc12)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(CC)cc1	6822121	PBGCXQMFTGBATC-HSZRJFAPSA-N	548.625	2.935	0	40	KFAB	
Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c(C)c1	20004727	HAOLPGYHRJNZCO-JOCHJYFZSA-N	501.630	2.788	0	40	KFAB	
CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4ccc(O)cc4)CC3)cc2c1	20080502	JZZJEMQSFYFYDG-ZEQKJWHPSA-N	531.617	2.710	0	40	KFAB	
CC(C)c1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)S(C)(=O)=O)cc1	44880612	GMEPOJGKMNWSJJ-UHFFFAOYSA-N	503.606	2.806	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OCC)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	59418603	BQIFUTDHLGSITD-IZBTWGKQSA-N	522.579	2.934	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc2)cc1	59647481	DOHVYMNXTRIYSS-UHFFFAOYSA-N	559.666	2.940	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O	222953288	XAYLWBWRPDLPFO-OAHLLOKOSA-N	514.417	2.908	0	40	KFAB	
COc1ccc(CCNC(=O)c2ccccc2NC(=O)CN(C)S(=O)(=O)c2ccccc2)cc1OC	223123006	NOFXHSUOSPCNDX-UHFFFAOYSA-N	511.600	2.936	0	40	KFAB	
COC(=O)CSc1nnc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3)C2)s1	223239236	OMKOLTVNHPVZLS-CYBMUJFWSA-N	505.043	2.637	0	40	KFAB	
C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	223885905	KIRHRWGUTDLOEF-QGZVFWFLSA-N	519.595	2.797	0	40	KFAB	
CCc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)S(=O)(=O)c2ccccc2)cc1	224213388	SHEYSTNUIHNCEW-UHFFFAOYSA-N	545.683	2.890	0	40	KFAB	
Cc1cc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1N1CCCC1=O	224395301	XQABTSGIYNMPRM-UHFFFAOYSA-N	521.661	2.654	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)CC2)cc1	225498022	GBKLZRXKUVGASV-FQEVSTJZSA-N	501.605	2.643	0	40	KFAB	
Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(N2C[C@H](C(=O)NC[C@@H](C)O)CC2=O)cc1	408574208	CVADPVYJRRWXGC-IAGOWNOFSA-N	518.408	2.933	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/[C@H]3C(=O)N(c4ccccc4)N=C3C)c(=O)n2[C@H]1c1cc(OC)ccc1OC	409022322	JYIMUEXVLZHGMG-RKFWSAHQSA-N	560.632	2.806	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C)c4ccc(Br)cc43)c(=O)n2[C@H]1c1ccccc1OC	409115657	SRVLZESQKKGWGW-AGGMBTAESA-N	568.449	2.916	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OCCn3cc(Cl)cn3)cc2)C[C@](O)(COc2ccc(F)c(F)c2)C1	585279644	FDUXSRFVYGHSMD-HHHXNRCGSA-N	565.017	2.994	0	40	KFAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCOc2ccc(Cl)cc2)CC(=O)N[C@@H](Cc2ccccc2)C1=O	643578968	LYHWETBLVULMJY-SVBPBHIXSA-N	607.107	2.992	0	40	KFAB	
Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccco3)N3CCN(C(=O)c4ccco4)CC3)cc2c1	1362045	PLSUSDXLULYWNY-DEOSSOPVSA-N	513.558	2.913	0	40	KFAB	
COc1ccc(N(CC(=O)NC2CCCCC2)C(=O)C[S@](=O)CC(=O)Nc2ccc3c(c2)OCO3)cc1	6973654	MAZNUCSTBQECAD-QNGWXLTQSA-N	529.615	2.593	0	40	KFAB	
COc1ccc(CNC(=O)[C@@H](Cc2ccccc2)NC(=O)C2CCN(C(=O)[C@@H](N)CC(C)C)CC2)cc1	9128806	ABBQZJVLQUVQLN-IZZNHLLZSA-N	508.663	2.651	0	40	KFAB	
COc1ccc(S(=O)(=O)NC[C@H](O)Cn2c3ccccc3c3ccccc32)cc1N(C)S(C)(=O)=O	16915391	IHLDQYGHZXACRC-KRWDZBQOSA-N	517.629	2.538	0	40	KFAB	
COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(Cc2ccccc2)C(=O)c2snc(C(N)=O)c2N)cc1OC	38145144	OLXWZOLDKFMFMJ-MBSDFSHPSA-N	553.641	2.520	0	40	KFAB	
NS(=O)(=O)c1ccc(NC(=O)COC(=O)[C@H](CSCc2ccccc2)NC(=O)c2ccccc2)cc1	98002613	IFSNUELEPFUIEH-QFIPXVFZSA-N	527.624	2.548	0	40	KFAB	
COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(C)c2)cc1OC	100309683	ZZGSXYJFAFTYGO-MBSDFSHPSA-N	553.641	2.833	0	40	KFAB	
CCOc1cc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c(OCC)cc1S(=O)(=O)N1CCOCC1	100440999	ROGYYSYLSIVYHH-UHFFFAOYSA-N	578.713	2.950	0	40	KFAB	
CC(C)C[C@H](NS(=O)(=O)c1ccc2c(c1)Cc1cc(S(=O)(=O)N[C@H](CC(C)C)C(=O)O)ccc1-2)C(=O)O	102415439	GXLCCLMGUIGJQP-ZRZAMGCNSA-N	552.671	2.813	0	40	KFAB	
CCCCN(C(=O)CSc1nnc(Cc2csc(C)n2)o1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	103118491	IWKDHADZSYDABY-UHFFFAOYSA-N	541.659	2.831	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	222964861	QGGYTXGASFGSQB-IBGZPJMESA-N	505.637	2.803	0	40	KFAB	
CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223499020	LJDLEZDJYPRANK-JOCHJYFZSA-N	517.648	2.600	0	40	KFAB	
CC[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O	224316712	KFOFBHDFAHPAQS-DEOSSOPVSA-N	537.704	2.828	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1	224464990	SXIZVKANJMNGMB-LJQANCHMSA-N	620.577	2.751	0	40	KFAB	
CO[C@H](/C=C/CC/C=C/C(=O)O)[C@H](O)[C@H](C)/C=C(\C)[C@@H](O)[C@H](C)C(=O)CCCC1CC(=O)NC(=O)C1	253389309	HJCZOTBHYAPUHT-WMNBLWJBSA-N	507.624	2.711	0	40	KFAB	biogenic,in-vitro
CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3C[C@H](C(=O)OC)Oc4ccccc43)C2)cc1C	260734291	HODPYWLCPCQJTB-FDDCHVKYSA-N	502.589	2.762	0	40	KFAB	
COc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3ccc(CN4CCOCC4)cc3)Oc3ccccc32)cc1	260890896	UUIBQHRSSUTQFK-HHHXNRCGSA-N	537.638	2.800	0	40	KFAB	
COc1ccc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3cc(C)c(Br)cc3C)CC2=O)cc1OC	408655710	LVIXSIYUAKMHKJ-MRXNPFEDSA-N	548.390	2.758	0	40	KFAB	
Cc1ccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3cccc(C(=O)N4CCOCC4)c3)n2C)cc1	409358260	LAMCSVYZUZQMAP-SFHVURJKSA-N	522.631	2.818	0	40	KFAB	
O=c1cc(CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)o2)c2ccc(O)cc2o1	2619511	OTMUYGLJMHCTHW-UHFFFAOYSA-N	501.542	2.862	0	40	KFAB	
CC(C)C[C@H]1NC(=O)[C@H](C(C)C)NC(=O)C[C@@H](C)COC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](C(C)C)NC(=O)[C@@H](C(C)C)OC1=O	5048509	CWCLCJUWNJYVCD-FAFUMTECSA-N	638.847	2.823	0	40	KFAB	
CCOC(=O)CN(C(=O)Cn1nnc(-c2ccccc2F)n1)[C@@H](C(=O)NC1CCCCC1)c1ccc(C)o1	6546328	PGVAZFVHIXBWTK-XMMPIXPASA-N	526.569	2.963	0	40	KFAB	
Cc1ccc(N2C(=O)N(CC(=O)N3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)C(=O)[C@H]2C)cc1	13527818	KDNLAOAZLAXJLL-HXUWFJFHSA-N	520.611	2.838	0	40	KFAB	
O=c1[nH]c2cc3c(cc2cc1CN(Cc1cccs1)C(=S)NCCCN1CCOCC1)OCO3	19940513	MSLULBKIWZJIDJ-UHFFFAOYSA-N	500.646	2.917	0	40	KFAB	
C[C@H](C(=O)NC(C)(C)C)N(C(=O)C[S@@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1ccc(F)cc1	19941174	WZYMUCAFZFVYKZ-QXPWRNTLSA-N	505.568	2.578	0	40	KFAB	
COc1cc2cc([C@H](c3nnnn3C(C)(C)C)N3CCN(c4ccc(O)cc4)CC3)c(=O)[nH]c2cc1OC	20084105	TYLDQMYKTREVKH-XMMPIXPASA-N	519.606	2.904	0	40	KFAB	
COc1ccc([C@H](C(=O)NCCC(C)C)N(CCN2CCOCC2)C(=O)Cn2nnc3ccccc32)cc1	20109323	GSXSQQWJEPPHJI-HHHXNRCGSA-N	522.650	2.504	0	40	KFAB	
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)O[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O	97980021	RTLFGPZMADZHIX-VMSVZYTISA-N	562.048	2.586	0	40	KFAB	
COc1ccc(-c2noc(Cn3c(=O)c4ccccc4n(CC(=O)NCCc4ccc(OC)c(OC)c4)c3=O)n2)cc1	102089333	JSKGIHKWHWYCSI-UHFFFAOYSA-N	571.590	2.646	0	40	KFAB	
O=S(=O)(c1ccc(OC[C@H](O)CN2CCN(c3ccccc3Cl)CC2)c(Cl)c1)N1CCOCC1	102933936	PBMWUKNHVHKXFK-GOSISDBHSA-N	530.474	2.576	0	40	KFAB	
CN(CN1CCCCC1)C(=O)N(C[C@H](N(C)CN1CCCCC1)N(C=O)CN1CCCCC1)CN1CCCCC1	104813827	MVFZHJIJTPVVHB-GDLZYMKVSA-N	562.848	2.830	0	40	KFAB	
Cc1ccc(Cl)cc1N(CCCC(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)S(C)(=O)=O	224224870	GMPXZGOKUMEBAC-UHFFFAOYSA-N	532.084	2.640	0	40	KFAB	
O=C(CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1	224302143	XYFWEYRSFOKBEF-UHFFFAOYSA-N	601.703	2.633	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1Cl	226076117	HIQWDNLRPWHJNL-UHFFFAOYSA-N	558.122	2.893	0	40	KFAB	
COC(=O)c1cc(OC)c(OC)cc1NC(=O)C1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1	408594750	QQBRJYFYSKLQID-UHFFFAOYSA-N	522.576	2.547	0	40	KFAB	
O=C([C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	409231818	KWMRKWRTFPTZSH-IBGZPJMESA-N	506.024	2.814	0	40	KFAB	
COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)Oc3cc(C)c(C(=O)N[C@@H](CO)C(=O)O)c(O)c3)c(OC)c2)c(OC)c1	514288065	MSLCKSISNXSJJH-FQEVSTJZSA-N	597.573	2.957	0	40	KFAB	biogenic,in-vitro
COC(=O)C[C@@H](c1cccc(OCC(N)=O)c1)c1c(O)c(C(C)=O)cc([C@H]2OCc3cnc(C)c(O)c32)c1O	524732032	UQWCUWMSTNSNKX-HMILPKGGSA-N	536.537	2.888	0	40	KFAB	biogenic
Cc1c(Cl)ccc2c1NC(=O)[C@]21N[C@H](CCC(N)=O)[C@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@H]21	2338515	PAXDIXLXGGVJMI-VGHKVXAASA-N	531.794	2.601	0	40	KFAB	
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CNS(=O)(=O)c3ccccc3C(F)(F)F)cc2)no1	2659746	ZXRYPEOIGBEVFE-UHFFFAOYSA-N	518.495	2.720	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)N[C@](C)(c4ccc(Cl)cc4Cl)C3=O)CC2)cc1	3440746	RTAJDICSMGSGET-HSZRJFAPSA-N	539.441	2.602	0	40	KFAB	
CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)OCC(=O)Nc1c(Cl)cc(S(N)(=O)=O)cc1Cl	3444337	WXDKNRJMVSPHOL-IBGZPJMESA-N	516.403	2.506	0	40	KFAB	
CC[C@H](C)[C@H]1CN2CCC[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	4212849	OPAVODIYXVLOOM-XAOZLXPPSA-N	563.743	2.994	0	40	KFAB	in-man
CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)cc2)s1	4522224	NBXMBNZNBOZDPK-HZPDHXFCSA-N	565.699	2.952	0	40	KFAB	
Cc1ccc(NCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1S(=O)(=O)N1CCCCCC1	12536699	AOWMFRMPVIGGNV-UHFFFAOYSA-N	508.666	2.861	0	40	KFAB	
CC(C)NC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccc4c(c3)OCCO4)c2=O)cc1	101274432	HRZIBCYJDOZEOU-UHFFFAOYSA-N	528.565	2.629	0	40	KFAB	
CCOC(=O)C1=C(C)C2[C@H]3C(=O)N(c4ccc(C(=O)OC)cc4)C(=O)[C@@H]3C1(C)[C@H]1C(=O)N(c3ccc(C(=O)OC)cc3)C(=O)[C@H]21	103552318	DIKARTHLYAVYHG-OGGDBBSNSA-N	614.607	2.701	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	222701195	YDYAPUKZZHQKEK-CQSZACIVSA-N	532.446	2.940	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	222855682	BXMAYTVTHBANKG-RUZDIDTESA-N	569.680	2.865	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	223255160	QXGBCTWFRHKUHV-GOSISDBHSA-N	523.627	2.943	0	40	KFAB	
CCCOc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)cc1	224394967	BAPCZVBCGINBGT-UHFFFAOYSA-N	553.703	2.611	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	225393168	BWSALSZQZKZOOG-RBUKOAKNSA-N	535.663	2.810	0	40	KFAB	
CCOc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C[C@H]2CCCO2)C(=O)Cn2nnc3ccccc32)cc1	245230421	RGEUHPYCZFZXLD-AZSVPQILSA-N	521.618	2.874	0	40	KFAB	
Cc1ccccc1CN(C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C	260926908	VQAPJCOOOZEVFE-HXUWFJFHSA-N	517.648	2.722	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1	409162621	GLRYLUJKTXUAOJ-CINCIDGWSA-N	582.078	2.689	0	40	KFAB	
COc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)c1OCC(=O)O	409206456	OPGDMLGUDCQEAS-DEDYPNTBSA-N	527.555	2.670	0	40	KFAB	
Cc1ccccc1C(=O)N[C@@H](C)c1nnc(SCC(=O)Nc2cccc(C(=O)N3CCOCC3)c2)n1C	409353630	ORNJQOKESMSBJS-SFHVURJKSA-N	522.631	2.818	0	40	KFAB	
COc1ccc(-c2cc(C(=O)N3CCC4(CCCCOC[C@H](C)NC(=O)[C@H](C)NC4=O)CC3)on2)cc1	643564065	CAQPOHBKPBJHKU-OALUTQOASA-N	512.607	2.783	0	40	KFAB	
CCCCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCC)CCC(=O)N[C@@H](Cc2ccccc2)C1=O	643913146	HLBYHDXRBHGPKX-DQEYMECFSA-N	536.673	2.840	0	40	KFAB	
COc1cccc(-c2ccc3c(c2)O[C@H]2CN(Cc4ccc(C)cc4)C[C@H]2N(C)C[C@@H](O)CNS3(=O)=O)c1	1534612815	KXICMJFTZCEBPU-YIOBJHAYSA-N	537.682	2.887	0	40	KFAB	
COCCNC(=O)[C@@H](c1ccc2ncccc2c1)N(Cc1cccs1)C(=O)c1snc(C(N)=O)c1N	6136200	QSGLOOMOPFGNSV-HXUWFJFHSA-N	524.628	2.580	0	40	KFAB	
O=S(=O)(NC[C@@H]1CCCO1)c1ccc(S(=O)(=O)N(Cc2ccccc2F)C[C@@H]2CCCO2)cc1	9203487	KHBCZPQKXRVULX-PMACEKPBSA-N	512.625	2.653	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4ccc(OC)cc4[nH]c3=O)c(=O)n2[C@@H]1c1ccc(C)cc1	15018871	QZXBQGCHSBMVFO-RWTNITNYSA-N	515.591	2.957	0	40	KFAB	
O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	19935429	FWMSXSJHSVKZIQ-UHFFFAOYSA-N	522.023	2.576	0	40	KFAB	
O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccccc2)CC1)Nc1ccc(Oc2ccccc2)cc1	19961751	BCPGSHCKUIBNJF-HHHXNRCGSA-N	527.625	2.957	0	40	KFAB	
Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)S(C)(=O)=O)cc1Cl	20458441	DJBRMXRDPDGULV-UHFFFAOYSA-N	509.997	2.644	0	40	KFAB	
CC1(C)S[C@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)N[C@H](C(=O)NCCCN1CCOCC1)c1ccccc1	20572680	AVASSELKDRUEKH-OBTVHEKISA-N	522.671	2.731	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	59418428	JMCZLLHMROIQIM-RWTNITNYSA-N	522.579	2.741	0	40	KFAB	
CCOC(=O)c1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]32)cc1	101387683	XWHAOADMAGLZGJ-ROUUACIJSA-N	500.309	2.558	0	40	KFAB	
CC(=O)Nc1ccc(S(=O)(=O)N[C@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=S)n3-c2ccccc2)cc1	101448319	UUDDOHHBHTUMHG-FQEVSTJZSA-N	539.517	2.542	0	40	KFAB	
COCCN(C(=O)CSc1nnc(Nc2cccc(C)c2)s1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	103078773	AXQQYCQTIHSCDQ-UHFFFAOYSA-N	553.670	2.842	0	40	KFAB	
Cn1c(N)c(C(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccc(O)cc2)CCC3)c(=O)n(C)c1=O	104255442	JEKCFWUYELKSRU-VKAVYKQESA-N	526.549	2.837	0	40	KFAB	
CCOc1cc(S(=O)(=O)N2CCC(c3nc(O)c4nnn(Cc5cc(C)ccc5C)c4n3)CC2)c(OCC)cc1-n1cnnn1	150439701	PGNFBCSNPHASPU-UHFFFAOYSA-N	634.723	2.933	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222854022	UIXKRMPLFYJCKC-FQEVSTJZSA-N	535.638	2.559	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)c2ccccc2)cc1	224291665	DOSGXRGQMBXMGR-UHFFFAOYSA-N	573.693	2.870	0	40	KFAB	
CC(C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	224721502	PQFKEAJJJHBMHI-HNNXBMFYSA-N	522.421	2.536	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCc3ccc(S(=O)(=O)N4CCCC4)cc3)C2)cc1	260772208	MTVFTIKNCANHTD-QFIPXVFZSA-N	519.689	2.539	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	260911612	FUJZSBIJLMCIQH-ROUUACIJSA-N	510.607	2.910	0	40	KFAB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NCCCN1CCOCC1	408618273	FMKFZINUXHCVNY-UHFFFAOYSA-N	524.481	2.521	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)O)c(OC)c3)c(=O)n2[C@H]1c1ccc(SC)cc1	408984779	MTNHROGXTDVYLA-GXPYYPFNSA-N	554.646	2.992	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCC(=O)O)cc3Br)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409033599	FQYLJBNRDFWTGW-ROLYSHEVSA-N	719.563	2.983	0	40	KFAB	
CN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2/C=C\COc2ccccc2CN(Cc2ccncc2)CC3=O)CC1	514287493	GFQSZBWPVNYQBX-BBZQIAPLSA-N	517.674	2.661	0	40	KFAB	
Cc1cc(OC[C@]2(CC(=O)N3CCN(C)CC3)CN(C(=O)CC3CCN(C)CC3)CCO2)ccc1Cl	585286790	QTLWJVNLCNHBGW-MHZLTWQESA-N	521.102	2.521	0	40	KFAB	
COCC(=O)N1C[C@H](CC(C)C)N(C(=O)CSc2nnc(-c3ccccn3)n2-c2ccccc2OC)CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)C1	643912685	ADJCYXZFEMSAGC-FENKHGENSA-N	714.886	2.696	0	40	KFAB	
CN(C[C@@H](O)CO)C(=O)c1ccc2c(c1)Cc1cccc(c1)CN(Cc1ccccn1)CCOCCO2	2037949484	IKGKGIMDUHDCTM-HHHXNRCGSA-N	505.615	2.509	0	40	KFAB	
CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)sc2c1CCN(C(C)=O)C2	3007283	APFDERGLUNLEPU-HOTGVXAUSA-N	549.671	2.880	0	40	KFAB	
COc1ccc([C@@H](C(=O)NCc2ccccc2)N(C(=O)c2snc(C(N)=O)c2N)C2CCCC2)cc1O	12716723	QUTJGHJINDWREB-QFIPXVFZSA-N	523.615	2.981	0	40	KFAB	
COc1ccccc1C[C@@H](NC(C)=O)C(=O)NC1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1	13565675	SATVWTYZEFQPRM-HXUWFJFHSA-N	527.565	2.731	0	40	KFAB	
Cc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1C	13679144	NBTWBFKNVWDNFI-UHFFFAOYSA-N	509.650	2.509	0	40	KFAB	
Cc1ccc(S(=O)(=O)c2nc(S(=O)(=O)c3ccccc3)sc2NCCN2CCOCC2)cc1	20463255	LGLXYVVBKGMEGX-UHFFFAOYSA-N	507.659	2.861	0	40	KFAB	
C[C@@H](NS(=O)(=O)c1ccc(CCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1)c1ccccc1	59852253	ALIVNHHWTRISRS-JOCHJYFZSA-N	571.721	2.996	0	40	KFAB	
CCOc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)Cc3nnnn3CCc3ccccc3)cc2c1	95202042	HDALCRJTGPQQDH-UHFFFAOYSA-N	531.661	2.881	0	40	KFAB	
Cc1c2c(cc(=O)n1N1CCOCC1)[C@@H](C(=O)Nc1ccc(F)cc1)NN(c1nc3ccccc3s1)C2=O	98042798	YCUOSNGYEJYAGN-QHCPKHFHSA-N	534.573	2.719	0	40	KFAB	
CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O	224065108	DWPQCRWJUSYBIF-QGZVFWFLSA-N	510.454	2.811	0	40	KFAB	
CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225473959	PIOLUKJDWRJXFV-HXUWFJFHSA-N	517.648	2.946	0	40	KFAB	
CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	225545804	VTABSLFFCCVHQV-MRXNPFEDSA-N	510.012	2.777	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)cc1C	226047043	GQNHMGAEQYGPFX-UHFFFAOYSA-N	563.742	2.938	0	40	KFAB	
O=C(O)CNC(=O)[C@H](Cc1cc(I)c(O)c(I)c1)NC(=O)OCc1ccccc1	408737036	LCEGYXXTBFONOP-HNNXBMFYSA-N	624.169	2.640	0	40	KFAB	
CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(Cl)c1OCC(=O)OC	409199042	BDJBAGOBVFVVGQ-RQZCQDPDSA-N	505.886	2.961	0	40	KFAB	
CC(C)[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCc2ccccc2)CCC(=O)NC2(CCCC2)C(=O)N1	643577895	IMCJQKRIENRRNO-LOSJGSFVSA-N	548.684	2.886	0	40	KFAB	
Cc1nn(C)cc1CCC(=O)N1CCC2(CCCCNC(=O)c3ccccc3OCCN(C)C2=O)CC1	2037884821	OHIUFYYIHXOYEK-UHFFFAOYSA-N	509.651	2.721	0	40	KFAB	
C[C@@H]1O[C@H](O[C@@H]2CC[C@@]3(C)[C@H](CC[C@]4(C)[C@@H]3C=C[C@]35OC[C@@]6(CCC(C)(C)C[C@H]63)[C@H](O)C[C@@]54C)C2(C)C)[C@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O	2061000954	KQGDHYQRJRGMDG-GHVBIBBRSA-N	764.994	2.805	0	40	KFAB	
COc1cc([C@H]2c3cc4c(cc3[C@H](O[C@H]3O[C@H]5CO[C@H](c6cccs6)O[C@@H]5[C@@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O	3831507	NRUKOCRGYNPUPR-MAXQXHGSSA-N	656.662	2.753	0	40	KFAB	
CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)C[C@@H]2CCCO2)cc1	13151206	PIQDPFKKLJNHTJ-FQEVSTJZSA-N	509.650	2.526	0	40	KFAB	
CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1	16044101	FCRTZHDTAFTPFR-UHFFFAOYSA-N	507.996	2.769	0	40	KFAB	
O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C1CCCC1)N1CCN(Cc2ccco2)CC1)OCO3	20084308	HQFYAUNZGISIDZ-DEOSSOPVSA-N	503.563	2.859	0	40	KFAB	
C[C@@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1)C(=O)N1CCN(C(=O)c2ccco2)CC1	103136343	KDCOLHLDAXKFEQ-GOSISDBHSA-N	560.028	2.941	0	40	KFAB	
COc1ccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3cccc(Cl)c3Cl)CC2=O)cc1OC	139096959	IOFQCYMSEQIYLO-ZDUSSCGKSA-N	510.330	2.686	0	40	KFAB	
CC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1Oc1cccc(Nc2nc(-c3ccc(C)cc3)nc3ccccc23)c1	170593550	DTQGGFOPSZLQAV-RINLIGTNSA-N	530.581	2.671	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	222486894	HTPLNAXPUKJJLL-PGRDOPGGSA-N	515.632	2.952	0	40	KFAB	
O=C(CSCc1c(F)cccc1Cl)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1	224434467	KZUAZCOPTOYBOW-UHFFFAOYSA-N	503.017	2.928	0	40	KFAB	
CCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	225380789	FWDKSVSWWDJLEL-HSZRJFAPSA-N	547.674	2.956	0	40	KFAB	
C[C@@H]1CC[C@]2(C(=O)O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@](C)(C(=O)O)[C@H]5CC[C@]43C)[C@@H]2[C@]1(C)O	253529480	AWFZJSUJFSUBQU-BQYBYHDTSA-N	664.833	2.528	0	40	KFAB	biogenic,in-vitro
CC(=O)N1CCC(C(=O)N2CCC(COc3ccc(Cl)cc3)(CC(=O)N3CCN(C)CC3)CC2)CC1	257262963	LNUDCGXRGMCBRY-UHFFFAOYSA-N	519.086	2.750	0	40	KFAB	
COc1cccc(S(=O)(=O)N2CCC(COc3ccc(F)cc3)(CC(=O)N3CCN(C)CC3)CC2)c1	257270483	MUJOMUXTWIXCBV-UHFFFAOYSA-N	519.639	2.848	0	40	KFAB	
CCOc1ccc(N(CC(=O)N(Cc2cccc(Br)c2)[C@H](C)C(=O)NC)S(C)(=O)=O)cc1	260749081	BXFBXAASBSZXBI-MRXNPFEDSA-N	526.453	2.777	0	40	KFAB	
CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OC)n2c(s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)c2=O)=N1	409151914	IOYFCOHXRLONAQ-CFEDROAVSA-N	635.739	2.833	0	40	KFAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cn(CC(=O)N4CCOCC4)c4ccccc34)c(=O)n2[C@H]1c1cc(OC)ccc1OC	409163324	PQMBLSYNAAGVDZ-NXYYLBPMSA-N	657.793	2.934	0	40	KFAB	
COc1cc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)ccc1OC(C)=O	409371363	WDTHZIMSYRQIDJ-VTHIXIJXSA-N	627.599	2.695	0	40	KFAB	
O=C(Cc1noc2ccccc12)N1CCCCC2(CCN(Cc3ccccn3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1	643580874	WMXJQGUBRMTJAS-IZZNHLLZSA-N	550.656	2.715	0	40	KFAB	
CO[C@@H]1CN(C(C)=O)C[C@@H](CC(C)C)N(C(=O)c2ccc(C(F)(F)F)cc2)CCCCOC[C@@H](O)[C@H]1O	643586353	SIPDYSXGZZQQQM-MOUTVQLLSA-N	532.600	2.958	0	40	KFAB	
COc1cccc([C@@H]2[C@@H](C(C)C)CN(C(C)=O)C[C@H](OC)[C@@H](O)[C@@H](O)COCCCCN2Cc2nccn2C)c1	643913169	IPNFMYWKNVMHJP-VOXZARHYSA-N	560.736	2.640	0	40	KFAB	
O=C1CN(C(=O)c2ccccc2)Cc2ccccc2OCC=C[C@H]2CN1CC[C@H]2CC(=O)N1CC[C@@H](O)C1	958317774	METDAILMUODGAJ-KYPHJKQUSA-N	517.626	2.726	0	40	KFAB	
O=C1c2cccc3cccc(c23)C(=O)N1CCN1CCN(CC(=O)N2[C@H]3CC[C@H]2CN(Cc2ccccc2)C3)CC1	1889221306	IWEDPSTWBFXIDB-SVBPBHIXSA-N	551.691	2.929	0	40	KFAB	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCO4)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1	660648	SKWGHHGQASSRGT-ZYDFGXJWSA-N	522.579	2.933	0	40	KFAB	
CC1(C)Cc2ccccc2-c2nnc(SCC(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)n21	883829	QUFHRXCDIULFQY-UHFFFAOYSA-N	513.645	2.988	0	40	KFAB	
CCCn1c(SCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)nc2ccccc2c1=O	2664907	RINJBELIAFNYJD-UHFFFAOYSA-N	500.646	2.740	0	40	KFAB	
NC(=O)c1nsc(C(=O)N(Cc2cccnc2)[C@H](C(=O)NC2CCCCC2)c2ccc(O)cc2)c1N	6445125	XPNKVBANYKVGRY-NRFANRHFSA-N	508.604	2.757	0	40	KFAB	
C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c1	12551022	GJBYWHIUUYCJQM-BWAGFHJFSA-N	518.657	2.635	0	40	KFAB	
C[C@@H](C(=O)NC1CCCCC1)N(C(=O)C[S@@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1	19941276	DJGRSENAYVJNIN-YJDVNGEMSA-N	513.616	2.973	0	40	KFAB	
COC(=O)[C@@]1(c2ccccc2)N[C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21	20150746	YFEFDAGKSLPAEF-TVQWTUMOSA-N	500.507	2.682	0	40	KFAB	
O=C1NC(=O)[C@](Cc2ccc3c(c2)OCO3)(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)C(=O)N1c1ccccc1	70669817	MJVOGIXNGXYBQI-QPPRZBLKSA-N	540.576	2.508	0	40	KFAB	biogenic
COc1ccc(CCN2C(=O)[C@@H]3[C@H](Cc4ccc(O)cc4)N[C@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)cc1OC	70704885	IYZRVZXYQAVOMV-QXQHHZKDSA-N	545.567	2.754	0	40	KFAB	biogenic
Cc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@H](C(=O)NCc3ccccc3)c3ccc(F)cc3)n2)o1	100290207	RTXOINDOXADWSW-NDEPHWFRSA-N	575.645	2.989	0	40	KFAB	
CCOC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2c(C)cc(C)cc21	100910523	PKUDTZHEGJUVEV-IZHYLOQSSA-N	517.629	2.645	0	40	KFAB	
CC(=O)N[C@@H]1[C@@H](Oc2cccc(Nc3nc(-c4ccc(C)cc4)nc4ccccc34)c2)O[C@H](CO)[C@H](O)[C@@H]1O	170593548	DTQGGFOPSZLQAV-XLBLWDNWSA-N	530.581	2.671	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)Cc3cc(OC)c(OC)c(OC)c3)C2)cc1OC	222570997	LRPBFKPWVKOFJH-GOSISDBHSA-N	522.620	2.789	0	40	KFAB	
CC(=O)c1cccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c1	224298317	INOGHFNDIJFPIA-SFHVURJKSA-N	505.612	2.984	0	40	KFAB	
CCCCNC(=O)c1ccccc1NC(=O)CCc1cc(S(=O)(=O)N2CCOCC2)ccc1OC	224923294	QTOWSWFSIQPCSE-UHFFFAOYSA-N	503.621	2.817	0	40	KFAB	
CS(=O)(=O)N(CC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCCN1CCOCC1)Cc1ccccc1	260719620	KNJMMKTVLJFJOX-SSEXGKCCSA-N	592.762	2.537	0	40	KFAB	
CCOc1ccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@H](C)C(=O)NC)S(C)(=O)=O)cc1	260749148	CKUCMVPNOVHMQN-MRXNPFEDSA-N	526.453	2.777	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3OC)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409037233	STWPNJMXBRPENX-CJIXEESDSA-N	596.658	2.766	0	40	KFAB	
COC(=O)COc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1I	409105239	KBQGAHPLWLYPMD-LICLKQGHSA-N	549.321	2.683	0	40	KFAB	
COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(Br)cc1OCC(=O)O	409107630	SFFNWDFLTHDPJC-FRKPEAEDSA-N	518.320	2.761	0	40	KFAB	
COc1cccc(C[C@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3cccc4ccccc34)CC2)c1	8670521	WHPIKDSELMRIGW-VWLOTQADSA-N	509.628	2.865	0	40	KFAB	
NC(=O)c1nsc(C(=O)N(Cc2ccc(F)cc2)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)c1N	38144983	KWVLIBJWGWINLN-NQIIRXRSSA-N	529.569	2.781	0	40	KFAB	
COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C	59838398	DQTIIOOXDATUTK-AREMUKBSSA-N	571.721	2.994	0	40	KFAB	
CCOC(=O)/C=c1\s/c(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)c(=O)n1CC(=O)N[C@H](C)CC	102924341	KMFKJSHKIWHJNS-CLNIOENTSA-N	560.676	2.858	0	40	KFAB	
O=C(c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1	103020614	RMMBISYMZHKHSU-UHFFFAOYSA-N	538.598	2.593	0	40	KFAB	
CC(=O)OC[C@H]1O[C@H](Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCO5)coc3c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	170621362	MJRFCSQUAHKKFK-UMVZRTSOSA-N	626.567	2.693	0	40	KFAB	
C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	224071704	RLYOZRAILWIORU-MRXNPFEDSA-N	507.584	2.652	0	40	KFAB	
CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	224302723	FEOVMRPODNFFRS-GOSISDBHSA-N	510.607	2.767	0	40	KFAB	
CCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225410103	ARGIPYHBCMBYQT-JOCHJYFZSA-N	533.647	2.566	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C	225461590	HNQXIADVIGWZAF-SFHVURJKSA-N	539.496	2.842	0	40	KFAB	
C[C@@H]1CCCN(c2cc(N3CCN(c4ccccc4)CC3)nc(NC(=S)NCCN3CCOCC3)n2)C1	225904249	CJCYPWOUIXTMIB-JOCHJYFZSA-N	524.739	2.658	0	40	KFAB	
CC[C@@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)C[C@H]2CCCO2)cc1	245230452	RYOGQSCHULUCMJ-UYAOXDASSA-N	509.650	2.572	0	40	KFAB	
O=CN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2/C=C\COc2ccccc2CN(Cc2ccccc2)CC3=O)CC1	253403446	PWVQGHGBXZACPE-YOPPKJQDSA-N	530.669	2.793	0	40	KFAB	
COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)C(c3ccccc3)c3ccccc3)C2)cc1	408654172	JZQXEHBAAACFBZ-OAQYLSRUSA-N	501.539	2.889	0	40	KFAB	
CCOC(=O)COc1c(/C=c2/sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)cccc1OC	409044616	OKTYSLSPWDVLHV-INJUALFYSA-N	536.606	2.749	0	40	KFAB	
COc1cccc(CCCNC(=O)[C@@H]2CC(=O)N3CCC[C@H]3C(=O)N[C@H](CC(C)C)COc3ccccc3C(=O)N2)c1	643566044	URDLOWPYOOWORL-NPAAKHOSSA-N	578.710	2.847	0	40	KFAB	
CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)NCCOc2ccc(Cl)cc2)NC(=O)c2ccccc2OC[C@H]2CCCN2C1=O	643566452	DQYSMMAROMPSAV-ZODMCCGTSA-N	585.101	2.938	0	40	KFAB	
COCCNC(=O)C[C@@H]1c2nc(NC(=O)c3ccc(OC)cc3)sc2C[C@H]2[C@@]1(C)CC[C@@H](O)[C@@]2(C)CO	4222263	IACREMHQTBDCJD-BWSFKYGTSA-N	531.675	2.972	0	40	KFAB	biogenic,in-vitro
COc1cc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4ccccc4)CC3)c(=O)[nH]c2cc1OC	20080751	RRQGSJQKZGJBGZ-RLWLMLJZSA-N	531.617	2.622	0	40	KFAB	
CNC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)sc2c1CCN(C(C)C)C2	38139094	ZQGHTCXIDXWARA-IRXDYDNUSA-N	534.704	2.924	0	40	KFAB	
COc1ccc(C(=O)COC(=O)[C@H](CCCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1	100560977	LQGWKUTVXTZSLQ-NPSBNYFHSA-N	586.641	2.574	0	40	KFAB	
COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4C[C@H]([C@H]5C(=O)N(CCCC(=O)O)C(=O)[C@H]45)[C@H]23)cc1OC	100922165	OYHUVFMUVOPDKA-OABAZQCPSA-N	530.624	2.792	0	40	KFAB	
CC(C)CN(C(=O)CN(C)C(=O)c1cc(Br)ccc1Cl)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	103038425	YIMGCBLWYZJWLN-UHFFFAOYSA-N	542.862	2.952	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C)c1	224433477	GEUURWNDVYUUNM-IBGZPJMESA-N	535.663	2.668	0	40	KFAB	
CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	224717797	KQRAUSSJIAAFCQ-IBGZPJMESA-N	505.637	2.722	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C	225400897	BPCIBPCRZSCIBS-VQTJNVASSA-N	504.653	2.640	0	40	KFAB	
CN1C(=O)C2(CC2)NC(=O)CC[C@@H](C(=O)NCc2cccc(CN3CCOCC3)c2)NC(=O)c2ccccc2OC[C@@H]1Cc1ccccc1	643569708	AYRWVBPOPRPILE-CDZUIXILSA-N	667.807	2.825	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(=O)OC)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1	623865	NIXGMQSLNNQCRH-LJJBLSSYSA-N	520.563	2.510	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)O)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	2174533	BMTURKGMUDTJQK-QDNAUZDWSA-N	552.605	2.669	0	40	KFAB	
CCOc1ccc([C@H]2C(C(=O)OC)=C(C)N=c3s/c(=C\c4ccc(N5CCN(C)CC5)o4)c(=O)n32)cc1OCC	8767215	DBFXIMVGZSPFKC-FGSNJIQSSA-N	566.680	2.550	0	40	KFAB	
CCN1CCN(CC(=O)N2N=C(c3ccc(Br)cc3)C[C@@H]2c2ccc(OC)cc2)C(=O)C1=O	9599708	MWNUJIQVXQRBHI-OAQYLSRUSA-N	513.392	2.826	0	40	KFAB	
CCC(C)(C)NC(=O)[C@@H](c1ccc(C)cc1)N(CCN1CCOCC1)C(=O)CNC(=O)c1cccs1	20150308	LYEIOKAGWPVRLM-XMMPIXPASA-N	514.692	2.993	0	40	KFAB	
CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)OC[C@@H](O)CO)[C@H]21	100071659	JWLPSAWDZUGURB-KNZLLFKNSA-N	510.668	2.918	0	40	KFAB	in-vitro
C[C@H]1CN=C(NCCN(CCN(CCNC2=NC[C@H](C)S2)C2=NC[C@H](C)S2)C2=NC[C@H](C)S2)S1	100934178	KBPVXXHTEMHDGY-XSLAGTTESA-N	542.870	2.735	0	40	KFAB	
CC(C)[C@@H](C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)N1C(=O)c2ccccc2C1=O	102778151	DEFTYSBJOPUGSD-DEOSSOPVSA-N	540.642	2.567	0	40	KFAB	
CCOC(=O)c1sc(NC(=O)COC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c(C(=O)OCC)c1C	103141465	FXZBMQAHZQCKCO-UHFFFAOYSA-N	540.616	2.521	0	40	KFAB	
COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(CC(=O)N4CCCC4)cc3)C2)c1	222569123	VPKGJPVUHLWETA-HXUWFJFHSA-N	515.632	2.908	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O	225399077	CUMDCTPYPNZCOS-MRXNPFEDSA-N	510.012	2.778	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCC(=O)O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	408831675	OUDBTEIDHFVCJD-AXADVEHHSA-N	694.500	2.892	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCC(=O)O)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OC	408838432	WCDRLFPNHVXBGZ-MTCPJELPSA-N	664.474	2.884	0	40	KFAB	
COc1cc([C@@H](CC(=O)NC[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)c2oc(C)cc(=O)c2O)ccc1O	524730470	KOLDXNBRTHNRJM-MOPGFXCFSA-N	552.580	2.973	0	40	KFAB	biogenic
COCC(=O)N1CCN(Cc2cccc(OCCCn3cc(C)cn3)c2)C[C@](O)(COc2ccccc2)C1	585270274	BCVMHMHRHRDHMO-GDLZYMKVSA-N	522.646	2.761	0	40	KFAB	
CC(C)[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)N2CCC(c3ccccc3)CC2)CCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N1	643571875	LZADCOXTKCXEPR-AWCRTANDSA-N	614.747	2.955	0	40	KFAB	
Cc1ccc(S(=O)(=O)NCC(=O)N2CCCCC3(CO)CCN(CC3)C(=O)c3ccccc3OCC2)cc1	643575003	IBZXHJLGOKKVCG-UHFFFAOYSA-N	543.686	2.580	0	40	KFAB	
Cc1cc2cc([C@@H](c3nnnn3Cc3ccco3)N3CCN(C(=O)c4ccco4)CC3)c(=O)[nH]c2cc1C	1381889	HSLQHUKBSLPLMS-DEOSSOPVSA-N	513.558	2.913	0	40	KFAB	
COc1ccc(/C=C/C(=O)O[C@@H](C)C(=O)N2CCCc3ccccc32)cc1S(=O)(=O)N1CCOCC1	3298257	QICSKIHCUJOGQH-RDELFYGPSA-N	514.600	2.640	0	40	KFAB	
CCOC(=O)CNC(=O)[C@@H](c1ccc(OCC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(C)c1	6601632	YPAZKLJJQVZHCN-JOCHJYFZSA-N	539.614	2.599	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(CCO)[C@H](C(=O)NC3CCCC3)c3ccc(Cl)cc3)n2)cc1	7060512	BVZGQUVBENMWRK-QHCPKHFHSA-N	512.998	2.623	0	40	KFAB	
CC(=O)Oc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3[C@H]3C=CC=NN32)cc1	8738152	FZSSCWNLRCNLKE-MXEMCNAFSA-N	508.328	2.971	0	40	KFAB	
O=C(CCc1nnc2n(CCc3ccccc3)c(=O)c3ccccc3n12)N1CCN(C(=O)c2ccco2)CC1	9831559	OWJJABFBLLVAIS-UHFFFAOYSA-N	524.581	2.797	0	40	KFAB	
CCCCC[C@H](NC(=O)C1CCN(C(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)CC1)C(=O)O	12866578	YXBGUENLKYUKCB-VXKWHMMOSA-N	509.669	2.686	0	40	KFAB	biogenic
CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)N3CCCc4c(C(=O)OC)cccc43)CC2=O)cc1	12920410	BJSSLGWGAZDNPI-SFHVURJKSA-N	513.616	2.836	0	40	KFAB	
CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1ccccc1	14154723	KHHRFORFGYWWNO-UHFFFAOYSA-N	506.581	2.878	0	40	KFAB	
Cc1ccc(C)c(N(CCCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)c1	14400350	LZWYXTVJPQEFRG-UHFFFAOYSA-N	509.650	2.509	0	40	KFAB	
O[C@H](COc1ccc(OC[C@H](O)CN2CCN(CCOc3ccccc3)CC2)cc1)CN1CCN(CCOc2ccccc2)CC1	22790510	SHGYACKFBORAQV-MEKGRNQZSA-N	634.818	2.559	0	40	KFAB	
Cc1cccc(CCN(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)c1	38145037	FWXRIOMPJLIMOI-OFNKIYASSA-N	539.633	2.993	0	40	KFAB	
O=S(=O)(Nc1ncccn1)c1ccc(NC(=S)NNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1	97945648	RYAYKVYUDJCTPF-UHFFFAOYSA-N	533.444	2.764	0	40	KFAB	
COc1ccccc1-n1c(CNC(=O)COc2ccccc2)nnc1SCC(=O)Nc1nnc(C)s1	97957481	XRELTMBMZQXPGW-UHFFFAOYSA-N	525.616	2.862	0	40	KFAB	
CCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)scc12	97957544	LGYCVGZCYTWSMV-UHFFFAOYSA-N	598.659	2.906	0	40	KFAB	
CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(OC)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	222548433	WJGOSBPWDUSVAJ-GCJKJVERSA-N	515.632	2.952	0	40	KFAB	
O=C(N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4ccc(F)c(F)c4)C[C@H]3C(=O)NC[C@H]1O2)C1CCOCC1	253399254	IQIHUAZXLOWAKY-HNJXHNCJSA-N	626.701	2.649	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@H](Oc2ccc(Br)cc2Br)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	253500970	VBWWLFJAKXINAH-KNJMJIDISA-N	582.194	2.674	0	40	KFAB	
CCOC(=O)COc1c(Br)cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)cc1OC	409068666	USQKPNCHENRHPT-CEITULEQSA-N	502.339	2.997	0	40	KFAB	
COc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(I)c1OCC(=O)O	409233413	SAEVNXBCJHZHCJ-OVCLIPMQSA-N	508.268	2.856	0	40	KFAB	
CN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2C=CCOc2ccccc2CN(C(=O)c2ccccc2)CC3=O)CC1	958317760	LEEGHMCYJPZLCW-UIOOFZCWSA-N	530.669	2.906	0	40	KFAB	
Cc1ccc(CN(Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)Cc2nnnn2C[C@@H]2CCCO2)cc1	1373894	ZKLQJULOEPBXKD-QFIPXVFZSA-N	502.575	2.976	0	40	KFAB	
COCCNC(=O)[C@H](c1ccc2ncccc2c1)N(CCc1cccc(C)c1)C(=O)c1snc(C(N)=O)c1N	6442177	HJCARVNKKAECHN-DEOSSOPVSA-N	546.653	2.870	0	40	KFAB	
COc1cc2c(cc1OC)[C@H](C)N(CC(=O)Nc1ccc(C)c(S(=O)(=O)N3CCOCC3)c1)CC2	8994608	HCAFBYBMYUTYIA-SFHVURJKSA-N	503.621	2.591	0	40	KFAB	
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3cccc(Cl)c3)CC2)N[C@H]1c1ccc(O)c(OCC)c1	10342454	BBZPHLMXFWVHEO-YADHBBJMSA-N	500.983	2.973	0	40	KFAB	
COc1ccc(CCN(CC(=O)NC2CCCCC2)C(=O)Cn2nnc(-c3ccc(C)o3)n2)cc1OC	12704775	MSQBXEGZOLQLNJ-UHFFFAOYSA-N	510.595	2.779	0	40	KFAB	
Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc3c(c2)OCO3)o1	12714674	URLKUOVKACRZCX-FQEVSTJZSA-N	511.560	2.901	0	40	KFAB	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCNC(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)[nH]c1=O	32990892	HJXDXQMNNHSZPD-UHFFFAOYSA-N	502.660	2.566	0	40	KFAB	
COc1ccc(N2C(=O)C[C@H](NNc3nc4cc(OC)c(OC)cc4c(=O)n3-c3ccccc3)C2=O)cc1	95910914	NJZLGDASBWNMOR-NRFANRHFSA-N	515.526	2.660	0	40	KFAB	
COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)CNC(=O)c2cccs2)c2cccnc2)cc1OC	100414036	AYVNVNUVDIDZCF-NBGIEHNGSA-N	538.626	2.960	0	40	KFAB	
COc1ccc(-c2coc3cc(O[C@@H]4O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]4OC(C)=O)cc(OC(C)=O)c3c2=O)cc1	150343760	XHCIZLWHEPIQDR-CDPVQLQCSA-N	656.593	2.856	0	40	KFAB	biogenic,in-vitro
O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1	150415703	IXUHRTGIHNFATO-UHFFFAOYSA-N	650.776	2.881	0	40	KFAB	
CNS(=O)(=O)c1ccc(C)c(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)c1	226009484	YFFJBQLQHUOGRA-UHFFFAOYSA-N	517.629	2.741	0	40	KFAB	
CCN(CC(=O)N1C[C@@H](C(=O)NCCc2ccccc2)Oc2ccccc21)S(=O)(=O)c1ccccc1	226053889	IWFQIJTYWULCKH-VWLOTQADSA-N	507.612	2.850	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C)c4ccc(Br)cc43)c(=O)n2[C@H]1c1cccs1	409119948	RFFHOSJXLUKSIP-VZCCSQPZSA-N	544.452	2.969	0	40	KFAB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	409153547	IFTAFTJFAXHUCE-OKHDLRRMSA-N	683.739	2.911	0	40	KFAB	
CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)NCC(C)(C)c2ccc(F)cc2)NC(=O)c2ccccc2OCCN(C)C1=O	643565054	AHEVGXWJTPEVNG-ZEQRLZLVSA-N	554.663	2.790	0	40	KFAB	
COc1cc2cc(CN(CCCN3CCOCC3)C(=S)NCc3ccco3)c(=O)[nH]c2cc1OC	895541	CESMPGLYHXDPET-UHFFFAOYSA-N	500.621	2.737	0	40	KFAB	
CCCCOC(=O)C1=C(N)n2c(s/c(=C\c3cccc(OC)c3)c2=O)=C(C(=O)OCC)[C@H]1c1cccc(OC)c1	1897029	SUSGGWHDDQSVSR-AEUZFIIDSA-N	564.660	2.738	0	40	KFAB	
NC(=O)C1(N2CCCCC2)CCN(C(=O)CCCCCn2c(=S)[nH]c3cc4c(cc3c2=O)OCO4)CC1	4019728	YEIJDHPPNIGRTI-UHFFFAOYSA-N	529.663	2.681	0	40	KFAB	
COc1ccc(OC)c(S(=O)(=O)N[C@H]2CO[C@@H]3[C@H](OC(=O)Nc4cccc(C(F)(F)F)c4)CO[C@H]23)c1	4222886	MFHCDCYPSUCWIF-JQERWDHBSA-N	532.493	2.784	0	40	KFAB	biogenic,in-vitro
CCOC(=O)CNC(=O)[C@H](c1cccs1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(C)c1C	6547197	CNVUSTKWSHBNAW-IBGZPJMESA-N	515.617	2.570	0	40	KFAB	
CCOc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(Cc2ccccc2)C(=O)c2snc(C(N)=O)c2N)cc1	6601681	ZRWMVYJCRFLHLM-NZQKXSOJSA-N	537.642	2.902	0	40	KFAB	
Cc1cc(C)nc(SCc2cc(=O)c(OC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)co2)n1	9829310	MVCYTALSBZCMDT-UHFFFAOYSA-N	517.585	2.579	0	40	KFAB	
CCOc1ccc(N2C[C@@H](C(=O)N3CCN(C(=O)[C@@H]4CC(=O)N(c5ccc(OCC)cc5)C4)CC3)CC2=O)cc1	29747516	NOFPPOLQUWXPFN-SZPZYZBQSA-N	548.640	2.561	0	40	KFAB	
CCOc1ccc(N([C@H](C)C(=O)Nc2cc(S(=O)(=O)NC(C)C)ccc2OC)S(C)(=O)=O)cc1	30855069	HTZSAHZGPVJXLR-MRXNPFEDSA-N	513.638	2.574	0	40	KFAB	
CCCCCN(C(=O)CCC(=O)OCC(=O)N(C)Cc1ccccc1C)c1c(N)n(CCCC)c(=O)[nH]c1=O	38151081	JFRYNZAOIRIVDK-UHFFFAOYSA-N	543.665	2.733	0	40	KFAB	
COC(=O)[C@H]1CN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2)c2ccccc2O1	222698335	DEIUGQOUGMPVGA-HSZRJFAPSA-N	512.540	2.842	0	40	KFAB	
CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	224153350	HBOAIYHHKUBMJC-OAQYLSRUSA-N	505.637	2.722	0	40	KFAB	
CC[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)N(c1cccc(C)c1)S(C)(=O)=O	224333494	NCXUHCGNVZRTOF-HSZRJFAPSA-N	523.677	2.519	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O	224989945	NLMYGFQEZQPWLE-LJQANCHMSA-N	505.637	2.722	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NC(C)C)c1ccc2c(c1)OCCO2	225468924	AGGZHTQYJDUDNC-IBGZPJMESA-N	503.621	2.556	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)c2ccc(F)cc2)cc1OC	408629724	GYEROINKFIDNPM-UHFFFAOYSA-N	528.562	2.867	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(F)cc3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409035774	QPVNTVFAUMQXBR-AOLPSBPOSA-N	554.596	2.888	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccc(Cl)cc43)c(=O)n2[C@@H]1c1cccc(OC)c1	409115665	SSELTDBIBOJJKY-GOBJLOIFSA-N	509.971	2.783	0	40	KFAB	
O=C1[C@H]2[C@H](C(=O)N1CCCCCCN1C(=O)[C@@H]3[C@H](CO)N[C@]4(C(=O)N(Cc5ccccc5)c5ccccc54)[C@@H]3C1=O)[C@]1(N[C@H]2CO)C(=O)N(Cc2ccccc2)c2ccccc21	585139071	OQESVVINOMNKPR-DDAUHQOKSA-N	836.946	2.562	0	40	KFAB	
COc1cc([C@H](CC(=O)NCCCC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c2oc(C)cc(=O)c2O)ccc1O	604405965	VAUDDVGMUVSUSW-HJNYFJLDSA-N	577.634	2.594	0	40	KFAB	biogenic
CC(C)C[C@H]1NC(=O)CC[C@@H](C(=O)NCCOc2ccc(F)cc2)NC(=O)c2ccccc2OC[C@H](C(C)C)NC1=O	643565349	XFQFXKSLLPULPA-JIMJEQGWSA-N	584.689	2.964	0	40	KFAB	
CC(C)C[C@H]1C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C)COc2ccccc2C(=O)N[C@H](C(=O)NCCc2ccc(F)cc2)CC(=O)N1C	643571360	IPYSVYUYHDRJGU-QBUINJGOSA-N	639.769	2.584	0	40	KFAB	
CN1CC(=O)N[C@H](Cc2ccccc2)COc2ccccc2C(=O)N[C@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)CC(=O)N2CCC[C@H]2C1=O	643574793	RFHWRHSTJBBZTQ-JXFVGPSASA-N	727.834	2.748	0	40	KFAB	
CCC[C@@H](c1nnnn1CC(=O)OCC)N(Cc1cccnc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3	1335556	JMBHIOUJUPUJIX-QFIPXVFZSA-N	533.589	2.788	0	40	KFAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)Cn4nc(C(F)(F)F)c(Cl)c4C)[C@@H]3SC2)s1	2788130	URSVFUZLBOUYKA-ABAIWWIYSA-N	569.012	2.555	0	40	KFAB	
COc1cc(NC(=O)N[C@H]2CO[C@@H]3[C@@H](Nc4nccc(-c5ccc(N(C)C)cc5)n4)CO[C@H]23)cc(OC)c1	8254502	QRWQNQNMIRYMPW-CXSMSNRLSA-N	520.590	2.995	0	40	KFAB	biogenic,in-vitro
CCOc1ccc([C@@H]2C(C(=O)OC)=C(C)N=c3s/c(=C/c4ccc5c(c4)OCO5)c(=O)n32)cc1OCC	8451608	GTHRJDNMKYTUIE-SEXPAEGTSA-N	522.579	2.934	0	40	KFAB	
C[C@H](OC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1	14357308	CUZUVSZKBDKJEE-SFHVURJKSA-N	513.572	2.779	0	40	KFAB	
C[C@H]1CN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)cc2)C[C@H](C)O1	28394029	QXYDGVIKLJYDTR-XLLXOSNRSA-N	508.662	2.949	0	40	KFAB	
CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@H](C(=O)O)c1ccccc1	70705290	HFWGWXQAJGIMAV-JYVYKJRCSA-N	556.619	2.947	0	40	KFAB	biogenic
Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@]1(CC(O)=N2)C(=O)N(CC(=O)NCCc2ccccc2)c2ccccc21	101413270	BPHQEOFTBKJCEY-GDLZYMKVSA-N	547.579	2.830	0	40	KFAB	
O=C(COC(=O)Cn1cc(I)c(=O)c(I)c1)NC1CCCCCCC1	102179114	WZLYQPOMCAKHEO-UHFFFAOYSA-N	572.181	2.830	0	40	KFAB	
CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O	222828602	QZUFFPQXWXDVHI-XMMPIXPASA-N	517.648	2.996	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225034834	DNBFXGSXISQPSH-VQTJNVASSA-N	517.648	2.864	0	40	KFAB	
CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225270751	FKCUIJOINANQLN-OAQYLSRUSA-N	521.611	2.697	0	40	KFAB	
COc1ccc([C@H](CC(=O)N2C[C@@H](C(=O)NCc3ccccc3)Oc3ccccc32)NS(C)(=O)=O)cc1	225953530	XGPWGAXWUXIBPT-DHLKQENFSA-N	523.611	2.786	0	40	KFAB	
COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)N1C[C@H](C(=O)NCc2ccccc2)Oc2ccccc21	260734153	GIKDXPPGIDCJNR-HSZRJFAPSA-N	527.574	2.565	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	261006446	FZZTWDFMYQNRAJ-ROUUACIJSA-N	523.627	2.941	0	40	KFAB	
CCn1nc(C(=O)N2CCO[C@@]3(CCCCc4ccccc4OCCN(C)C3=O)C2)c2ccccc2c1=O	643556485	KKAIWVLXMSJFOQ-LJAQVGFWSA-N	518.614	2.891	0	40	KFAB	
CC(C)[C@H]1NC(=O)C2(CCCCC2)NC(=O)C[C@@H](C(=O)NCC(C)(C)c2ccc(F)cc2)NC(=O)c2ccccc2OCCNC1=O	643567906	CYDRKYKWUFNHIU-LITSAYRRSA-N	651.780	2.877	0	40	KFAB	
Cn1cnc(S(=O)(=O)N2CCO[C@H](c3cccc(Nc4ncc(CNC(=O)c5cccc(F)c5)s4)n3)C2)c1	2037835878	FINZCRGOALIKQJ-FQEVSTJZSA-N	557.633	2.847	0	40	KFAB	
COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C4/C(=O)N(C)c5ccccc54)c(=O)n32)cc1	635385	XPRAACWAOFQVAJ-HOGKFDNTSA-N	503.580	2.542	0	40	KFAB	
Cc1ccc(-c2csc(NC(=O)COC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)n2)cc1	3272785	DZGXFHNFFKANKI-UHFFFAOYSA-N	501.586	2.935	0	40	KFAB	
NC(=O)N[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1	5179650	NGOXGWUANSSZOJ-WZYRSQIMSA-N	504.495	2.688	0	40	KFAB	
COc1ccc(C[C@]2(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)C(=O)NC(=O)N(c3ccccc3)C2=O)cc1OC	70669826	IXAGSFIVMXXDHV-XASJVRKQSA-N	556.619	2.797	0	40	KFAB	biogenic
COc1ccc(-c2nnn(CC(=O)N(Cc3ccc4c(c3)OCO4)[C@@H](C(=O)NC[C@@H]3CCCO3)c3ccco3)n2)cc1OC	100277479	CXBCVOGOZCFMAP-RBTNQOKQSA-N	604.620	2.744	0	40	KFAB	
COc1ccc(C[C@]2(C)C(=O)N(Cc3nnnn3-c3ccccc3)C(=O)N2Cc2nnnn2-c2ccccc2)cc1OC	102838159	VHZKZUZQYNINQR-GDLZYMKVSA-N	580.609	2.621	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCO5)coc3c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	103692580	MJRFCSQUAHKKFK-CEGHPUJGSA-N	626.567	2.693	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O	222510036	CPSBGAIUXLXUPF-VWLOTQADSA-N	527.618	2.986	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O	222953133	LBSHYYVVQSIWCO-OAHLLOKOSA-N	514.417	2.908	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	223455657	QDGBTCXZMQVIHT-IBGZPJMESA-N	522.643	2.781	0	40	KFAB	
CC[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)N(c1ccccc1)S(C)(=O)=O	224393184	JPBVYDALJUSZSH-HSZRJFAPSA-N	523.677	2.601	0	40	KFAB	
COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-n3cnnc3)c2C)ccc1NS(C)(=O)=O	225419445	CGOHTCDVJNAADQ-GOTSBHOMSA-N	538.659	2.960	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	225518481	JEYRVLOZBXSSSD-QHCPKHFHSA-N	505.596	2.607	0	40	KFAB	
COC(=O)CSc1nnc(NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(C)cc2)s1	225656550	RMNHHQVGHXVASJ-UHFFFAOYSA-N	552.656	2.963	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)cc1	226046805	KGPPRNXPRFURPA-UHFFFAOYSA-N	519.689	2.539	0	40	KFAB	
CC(=O)c1cccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c1	260882174	INOGHFNDIJFPIA-GOSISDBHSA-N	505.612	2.984	0	40	KFAB	
O=C(C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	408681831	ZPBUKLWZEGCBEZ-UHFFFAOYSA-N	520.051	2.955	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c(OC)c3)c(=O)n2[C@H]1c1cccc(OC)c1OCC	408905796	DYMQYKSMQQGZGR-YJADQXIJSA-N	524.595	2.920	0	40	KFAB	
CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OCC)=C(C)N=3)cc1	408987082	VNNUPIDQIJZBJR-HVUZKSCUSA-N	506.580	2.740	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccc(Br)cc43)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1	409119298	RWORARWZGMATKF-HBFAPYFHSA-N	614.474	2.909	0	40	KFAB	
O=C(CN1C(=O)S/C(=C\c2cn(CC(=O)N3CCCCCC3)c3ccccc23)C1=O)N1CCOCC1	409131310	IVOCGMZUHHEGBC-JCMHNJIXSA-N	510.616	2.939	0	40	KFAB	
COCCN1C(=O)S/C(=C/c2cc(I)c(OCC(=O)OC)c(OC)c2)C1=O	409132182	LQYJEUCWGDAQTN-MDWZMJQESA-N	507.302	2.534	0	40	KFAB	
CCOC(=O)C1CCN(C(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)CC1	409179660	RFKOKKJQLCXMHE-UHFFFAOYSA-N	550.630	2.718	0	40	KFAB	
COc1ccc(NC(=O)[C@H](OC(=O)c2ccccc2Cl)[C@@H](OC(=O)c2ccccc2Cl)C(=O)O)nn1	409382861	WRFWBVTVVPFUPI-RTBURBONSA-N	534.308	3.266	0	40	KFAB	
COc1cc([C@@H](CC(=O)NC[C@@H](c2ccccc2)N2CCN(C)CC2)c2oc(C)cc(=O)c2O)ccc1O	604405151	XLJNRWBCEVEUGD-PKTZIBPZSA-N	521.614	2.995	0	40	KFAB	biogenic
CC(C)C(=O)N1CCCCCCCNCc2cc(C(=O)NCCn3nccc3NS(C)(=O)=O)ccc21	643584231	YLEFJJVXDUEICF-UHFFFAOYSA-N	518.684	2.727	0	40	KFAB	
CC(=O)Oc1cc(OC(C)=O)c2c(c1)O[C@H](c1ccc(OC(C)=O)c(OC(C)=O)c1)[C@@H](OC(C)=O)C2	3978820	BKYWAYNSDFXIPL-LOSJGSFVSA-N	500.456	2.996	0	40	KFAB	biogenic,in-vitro
COc1cc(S(=O)(=O)N2CCOCC2)ccc1NC(=O)COC(=O)CC12CC3CC(CC(C3)C1)C2	8828852	ZOWGNBGICZZEQF-UHFFFAOYSA-N	506.621	2.804	0	40	KFAB	
C[C@@H](O)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)OCC(=O)Nc1ccccc1OC(F)F	13128953	YYOBTGFSJFWORY-SPLOXXLWSA-N	508.499	2.651	0	40	KFAB	
COc1ccc(CN(C(=O)Cn2nnc(-c3ccc(C)o3)n2)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccco2)cc1	17376557	NDOUIQQYMGEAJA-SQJMNOBHSA-N	534.573	2.908	0	40	KFAB	
CCOC(=O)CSC1=Nc2ccccc2C2=N[C@H](CC(=O)N3CCN(c4ccccc4)CC3)C(=O)N12	20182486	IFMGGMMEVDPBIN-OAQYLSRUSA-N	505.600	2.680	0	40	KFAB	
O=C(OC[C@@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1	33355130	JJFICUPIRKNFIU-CONSUNNSSA-N	574.517	2.881	0	40	KFAB	
CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1	59851776	DZYJXFPMJLMMSC-UHFFFAOYSA-N	557.694	2.987	0	40	KFAB	
COc1ccc(OC)c(C[C@@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1	100468830	PEOQEYQKVKTFFV-AREMUKBSSA-N	539.654	2.874	0	40	KFAB	
Cc1c(NC(=S)NCCNC(=S)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)n(-c2ccccc2)n1C	101024961	FQVGRLARWHTSLV-UHFFFAOYSA-N	550.714	2.555	0	40	KFAB	
COc1cc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCCN4CCOCC4)CC(=O)N32)cc(OC)c1OC	104313821	HUIUCGDPSHQXLF-FIPFOOKPSA-N	548.640	2.601	0	40	KFAB	
O=c1c2ccccc2n(C[C@@H](O)CN2CCN(C/C=C/c3ccccc3)CC2)c(=O)n1C[C@@H](O)CN1CCN(C/C=C/c2ccccc2)CC1	150519226	CJBSIEZOFZAYHQ-FYKAIUOOSA-N	678.878	2.547	0	40	KFAB	
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3Cl)S(C)(=O)=O)cc2)n1	216012641	PDOJYQFZDKGNRW-UHFFFAOYSA-N	524.024	2.952	0	40	KFAB	
CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O	224067924	PKXRJHPBNPBROY-QGZVFWFLSA-N	510.454	2.811	0	40	KFAB	
CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	224241071	WFTOAWLDDZMKPJ-OAQYLSRUSA-N	505.637	2.722	0	40	KFAB	
CCc1c(C(=O)N2CCCCOC[C@H](O)[C@H](O)[C@@H](OC)[C@H](CC(C)C)N(C(=O)COC)CC2)[nH]c2ccc(C)cc12	643586915	KQMKTXIWZXQHEM-ATACATFBSA-N	575.747	2.918	0	40	KFAB	
CC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCC[C@H]4C)cc3)c2C(N)=O)C1	3007304	VRRMJKLCTDFGSU-CQSZACIVSA-N	504.634	2.567	0	40	KFAB	
NC(=O)c1nsc(C(=O)N(c2ccccc2F)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)c1N	12473305	VGDWRNONWIHSNH-YWZLYKJASA-N	515.542	2.786	0	40	KFAB	
COC(=O)c1ccccc1NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc2c(c1)OCCO2	15481701	VWMNFQUDJXIALQ-QFIPXVFZSA-N	508.552	2.999	0	40	KFAB	
O=C1NC(=O)[C@](Cc2cccs2)(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)C(=O)N1Cc1ccccc1	20111288	RQCUDQDTJPDZIU-GGJMMHKRSA-N	516.623	2.837	0	40	KFAB	biogenic
COC(=O)[C@@H]1[C@@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C/c3c(C)nn(-c4ccccc4)c3C)c(=O)n12	20602347	ZGQVOMJTPLZNRP-JXAOXKNOSA-N	500.580	2.662	0	40	KFAB	
CCOc1ccc(NC(=O)Cn2c(=O)n(CC(=O)NCCc3ccc(OC)c(OC)c3)c(=O)c3sccc32)cc1	97986766	ZOJLTPORMBDHRS-UHFFFAOYSA-N	566.636	2.638	0	40	KFAB	
COc1cc(C(=O)NCCNC(=O)c2nc(Cn3c(C(F)(F)F)nc4ccccc43)no2)cc(OC)c1OC	98043447	IVKWIKVCDXJESM-UHFFFAOYSA-N	548.478	2.672	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	224663799	BCMBQJUWSNBSMM-HXUWFJFHSA-N	517.648	2.948	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225407580	XLUNLLLGSYLSME-KRWDZBQOSA-N	524.039	2.821	0	40	KFAB	
COCC(=O)N1CCCN(C)CCN(C(=O)[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)Cc2ccccc21	643554219	CRLAEQJZDWGTBO-XMMPIXPASA-N	524.637	2.560	0	40	KFAB	
COCCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C)c4ccccc43)c(=O)n2[C@H]1c1ccc(OC(=O)c2ccco2)cc1	1821243	MCXKWGGAXPWJRK-ULWNEYHBSA-N	599.621	2.584	0	40	KFAB	
Cc1cc(I)ccc1NC(=O)COC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1	3343279	FNCCHXPSXVPDJU-UHFFFAOYSA-N	562.357	2.555	0	40	KFAB	
CCOC(=O)CNc1cnn([C@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c(=O)n1	8398280	OXYJAFBKBDZTEF-PAHDPSBJSA-N	642.621	2.819	0	40	KFAB	
CC[C@H](c1nnnn1Cc1ccc(OC)cc1)N(CCCO)Cc1cc2cc3c(cc2[nH]c1=O)OCO3	8671354	NLDZXQDPUSNFOB-JOCHJYFZSA-N	506.563	2.636	0	40	KFAB	
O=C(OCC(=O)N1CCCCCC1)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1	13141460	UTFHFKDKQQIAMC-UHFFFAOYSA-N	503.596	2.896	0	40	KFAB	
CCOC(=O)[C@@H]1C(c2ccccc2Cl)[C@@H](C(=O)OCC)[C@@](O)(C(F)(F)F)N[C@@]1(O)C(F)(F)F	16682661	YZHONTVWWQWASA-NKPGLDSYSA-N	507.811	2.887	0	40	KFAB	
CN(c1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3Cl)C2)c1)S(C)(=O)=O	19859876	UUDAHHLLLJRJSB-INIZCTEOSA-N	500.042	2.916	0	40	KFAB	
CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCOC)N3CCN(Cc4ccccc4OC)CC3)cc2c1	20082513	UZHKSQVUCLZESA-AREMUKBSSA-N	517.634	2.639	0	40	KFAB	
CCC(C)(C)NC(=O)[C@H](c1ccccc1C)N(CCN1CCOCC1)C(=O)Cn1nnc2ccccc21	20109306	ROLBFAXHKVNFEH-SANMLTNESA-N	506.651	2.947	0	40	KFAB	
COc1ccc2oc(C(=O)OCC(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3OC)c(C)c2c1	24748685	ZHNNGZXKGCIEFZ-UHFFFAOYSA-N	518.544	2.575	0	40	KFAB	
CC(C)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	100735934	PBUNVLRHZGSROC-FICXGJARSA-N	577.726	2.521	0	40	KFAB	in-vitro
CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](Cc4ccc(O)cc4)N[C@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)cc1	101276567	UREWEQHDQCCSQR-MVPDCNEZSA-N	529.524	2.876	0	40	KFAB	
CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OCC(=O)c2[nH]c(C)c(C(=O)OC)c2C)C(C)C)c1	102777842	PSBZMXPGJZIAIU-QFIPXVFZSA-N	549.646	2.629	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	225410047	OIVDQQFCECPKPW-RTBURBONSA-N	522.643	2.779	0	40	KFAB	
CO[C@H](C)C(=O)Oc1cc(OC(=O)[C@@H](C)OC)c2c(=O)c(-c3ccc(C[C@@H](OC)C(=O)O)cc3)coc2c1	263583695	UBHJPIKJBUVABO-DOQJBMMISA-N	528.510	2.983	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCCC4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	409155937	JIRHREKCVUFQSH-YIECNSLDSA-N	621.712	2.825	0	40	KFAB	
COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(Br)cc1OCC(=O)O	409203585	YUUVXIYYDYTCBN-GIDUJCDVSA-N	522.283	2.592	0	40	KFAB	
CN(C)CCCNC(=O)[C@@H]1CCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N(C)[C@H](Cc2ccccc2)COc2ccccc2C(=O)N1	643569342	DARJTGQGIHIMOC-RDAHNBDFSA-N	643.785	2.528	0	40	KFAB	
O=C(NCCCn1ccnc1)C1CCN(C(=O)[C@H](C(=O)c2ccccc2)n2cc(Cl)ccc2=O)CC1	13940466	VXYXGDPBXCMPGG-QHCPKHFHSA-N	509.994	2.567	0	40	KFAB	
CCN(CC)S(=O)(=O)c1cc(NC(=O)COC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)ccc1C	16044761	ZFGKYHGRGQLORA-UHFFFAOYSA-N	518.560	2.817	0	40	KFAB	
CC(=O)Oc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3[C@@H]3C=CC=NN32)cc1	18207884	FZSSCWNLRCNLKE-XSDIEEQYSA-N	508.328	2.971	0	40	KFAB	
COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)S(C)(=O)=O)cc1OC	19855966	NOWMIJDEKZNUPL-UHFFFAOYSA-N	525.649	2.673	0	40	KFAB	
CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)C1	22517942	OPNVMQYTXLZBPL-OAHLLOKOSA-N	501.030	2.598	0	40	KFAB	
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3cccc(Cl)c3)CC2)N[C@H]1c1cc(OC)c(OC)c(OC)c1	22861286	SUUASEZZQZNGJP-VXKWHMMOSA-N	531.009	2.894	0	40	KFAB	
COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)c2)cc1	38140446	DETLCFSCAFVHQQ-UHFFFAOYSA-N	543.667	2.975	0	40	KFAB	
COc1ccccc1N1C(=O)[C@@H]2[C@H](C)N[C@]3(C(=O)N(CC(=O)N4CCc5ccccc54)c4ccccc43)[C@@H]2C1=O	100164725	OGNKSVOBEJANPK-DIRMUGNKSA-N	536.588	2.624	0	40	KFAB	
COc1cccc(C[C@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)c1OC	100468846	VOBGCSTWPFNNDR-FQEVSTJZSA-N	557.591	2.739	0	40	KFAB	
CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2N)cc1	100976661	WGQRMQLLGRXLGK-UHFFFAOYSA-N	538.055	2.831	0	40	KFAB	
COC(=O)c1ccc2c(=O)n(CCCCCC(=O)NCCCN3CCN(c4ccccc4F)CC3)c(=O)[nH]c2c1	102740482	FLKYYRCOLVLREG-UHFFFAOYSA-N	553.635	2.504	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	222905033	KEWUSTJIIXSIRY-INIZCTEOSA-N	512.028	2.677	0	40	KFAB	
COc1ccccc1CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(C)S(C)(=O)=O	223044126	XYYACOIIAVDZGU-VWLOTQADSA-N	523.655	2.843	0	40	KFAB	
COc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c(OC)c1	225682372	KOYIILBXYNNKLQ-SFHVURJKSA-N	523.627	2.798	0	40	KFAB	
COc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1OC	260723830	HRQICIVJBWQOBF-QGZVFWFLSA-N	509.600	2.551	0	40	KFAB	
CCOC(=O)COc1ccccc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(F)cc1)C(C(=O)OCC)=C(C)N=2	408805800	HRBVUIGEJQCGAI-WNOSOOIWSA-N	524.570	2.879	0	40	KFAB	
CCOC(=O)COc1c(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)cccc1OC	409044617	OKTYSLSPWDVLHV-VOZFUJEASA-N	536.606	2.749	0	40	KFAB	
CCCNC(=O)c1ccccc1NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	409258201	RXODPPUCJGTOCT-RUZDIDTESA-N	570.693	2.529	0	40	KFAB	
COc1ccccc1C(=O)N1CCO[C@](COc2cccc(Cl)c2)(CC(=O)N2CCN(C)CC2)C1	2037905337	JCTHHUOTUHPWFR-AREMUKBSSA-N	502.011	2.803	0	40	KFAB	
CCOC(=O)C1=C(C)C2[C@H]3C(=O)N(c4ccc(C(=O)O)cc4)C(=O)[C@@H]3C1(C)[C@H]1C(=O)N(c3ccc(C(=O)O)cc3)C(=O)[C@H]21	6544851	JMXRYIGHKWRUFH-IWBIDNTRSA-N	586.553	2.524	0	40	KFAB	
CCOc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(Cc2ccccc2)C(=O)c2snc(C(N)=O)c2N)cc1	6601445	ZRWMVYJCRFLHLM-OFNKIYASSA-N	537.642	2.902	0	40	KFAB	
CCN1CCN(CC(=O)N2N=C(c3ccc(Br)cc3)C[C@@H]2c2ccc(F)cc2)C(=O)C1=O	9599706	MKFFSVPFPUVHGQ-HXUWFJFHSA-N	501.356	2.957	0	40	KFAB	
COc1cc2c(cc1OC)CN(Cc1cc(=O)c(OCC(=O)N3CCN(c4ccccc4OC)CC3)co1)CC2	70666110	CFICHOIUYRGSAY-UHFFFAOYSA-N	549.624	2.952	0	40	KFAB	biogenic
COC(=O)c1cc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4cccc(Cl)c4)[nH]c(=O)c32)cc(C(=O)OC)c1	102356143	RONATNGGMYZKQI-INIZCTEOSA-N	525.905	2.805	0	40	KFAB	
CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	222640588	MHZGZTFTOOBHOY-QFIPXVFZSA-N	510.607	2.910	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	224370916	PTSRVIVXYNOFNQ-UHFFFAOYSA-N	567.686	2.826	0	40	KFAB	
CCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C	225378967	JSIZYDVPDOLKLJ-QHCPKHFHSA-N	504.653	2.642	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C)c4ccccc43)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	409120564	UGZGJPKUVNEXRZ-UGUGFTGJSA-N	533.606	2.552	0	40	KFAB	
Cc1nn(C)c(C)c1CCNC(=O)[C@@H]1CCC(=O)N(Cc2ccccc2)CC(=O)N(C)CC(=O)N[C@@H](CC(C)C)COc2ccccc2C(=O)N1	643571911	MWQFQKKTSBZLEC-NYDCQLBNSA-N	701.869	2.685	0	40	KFAB	
COc1ccc(-n2c(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)nnc2-c2ccccc2Cl)cc1	3351809	FZFHXGBGFMBRSW-UHFFFAOYSA-N	512.979	2.551	0	40	KFAB	
COc1cc(C(=O)Nc2ccc(C(C)=O)cc2)ccc1O[C@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	8431869	ZLAQSJKIEJDEJR-FKDLOIHESA-N	615.588	2.612	0	40	KFAB	
CCCS(=O)(=O)c1ncc(Cl)c(C(=O)N(Cc2ccc(CC)cc2)[C@@H]2CCS(=O)(=O)C2)n1	8868487	LOTOVMZRBRYLCU-QGZVFWFLSA-N	500.042	2.706	0	40	KFAB	
CC[C@H](C)[C@H](NC(=O)C1CCN(C(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)CC)CC1)C(=O)O	8918412	AFRSLTBASRDXLU-GPHNJDIKSA-N	509.669	2.542	0	40	KFAB	biogenic
Cc1ccc(NC(=O)CNc2cc(S(=O)(=O)N3CCOCC3)ccc2NC[C@@H]2CCCO2)cc1F	12522398	PMRLOQPKFRGDKI-IBGZPJMESA-N	506.600	2.797	0	40	KFAB	
CCC(C)(C)NC(=O)[C@@H](c1cc(OC)c(OC)c(OC)c1)N(CCOC)C(=O)Cn1nnc2ccccc21	13023986	JVXJRZBREAYCQY-XMMPIXPASA-N	527.622	2.978	0	40	KFAB	
O=C1c2cccc3cccc(c23)C(=O)N1CCN1CCN(C(=O)C2(S(=O)(=O)c3ccccc3)CC2)CC1	19901442	IUXJTEOZGCWWBB-UHFFFAOYSA-N	517.607	2.587	0	40	KFAB	
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3ccc(F)cc3)S(C)(=O)=O)cc2)n1	44949302	MWJXMUUWJYCYIM-OAHLLOKOSA-N	507.569	2.518	0	40	KFAB	
CC1(C)OC[C@@H]([C@H]2O[C@H]3OC(C)(C)O[C@H]3[C@@H]2OC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)OCc2ccccc2)O1	72332914	PGIQKXPBSUHAPP-HUASBOFESA-N	598.649	2.580	0	40	KFAB	
C[C@@H](C(=O)NC[C@H]1CCCO1)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1	222735973	GQZGKTKSEHBGFO-GBXCKJPGSA-N	513.660	2.772	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O	223074300	AVDLZWDMPFVLIP-MRXNPFEDSA-N	536.448	2.927	0	40	KFAB	
COc1ccc(-c2coc3ccc(O[C@@H]4O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]4OC(C)=O)cc3c2=O)cc1	253623265	BMFOZSVMUKDKPN-AYKQTRSJSA-N	598.557	2.931	0	40	KFAB	
CC(=O)O[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](CC[C@H]6[C@H]5C[C@@H](O)[C@]5(C)[C@H](C7=CC(=O)OC7)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)O[C@@H](C)[C@H]1O	257440280	HWKJSYYYURVNQU-RZBKFLOASA-N	822.986	2.789	0	40	KFAB	
CCCC1=C(C(=O)OCC)[C@H](c2cccc(OC)c2)n2c(s/c(=C3\C(=O)N(C)c4ccccc43)c2=O)=N1	409112005	AJHXLQAAYFPIHV-HHUUSFLGSA-N	517.607	2.934	0	40	KFAB	
CCOc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc3c(c2)OCCO3)cc1	6601429	CUNJRTCPXSPQHY-CYFREDJKSA-N	581.651	2.677	0	40	KFAB	
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O	8670974	YMQDUALLDNEXIZ-MHZLTWQESA-N	508.575	2.653	0	40	KFAB	
Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccc(OCC(N)=O)cc1)N(CCCN1CCOCC1)C3=O	16750643	QOERZABKWYBEFO-RUZDIDTESA-N	505.571	2.541	0	40	KFAB	
COc1ccc(NC(=S)N(CCN2CCOCC2)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)c(OC)c1	20081394	RXFNOAHTJINGIC-UHFFFAOYSA-N	526.615	2.805	0	40	KFAB	
CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)O	85565754	BOMYCHBQXOKSLT-SDHOMARFSA-N	549.628	2.590	0	40	KFAB	
CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(OCC)cc3)N(CCN3CCOCC3)C2=S)cc1	97995385	AEVIEBRXVMVXPY-DEOSSOPVSA-N	554.669	2.925	0	40	KFAB	
COc1cc(C[C@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc(OC)c1	100472143	OZQVSWXTDQZVCT-QHCPKHFHSA-N	557.591	2.739	0	40	KFAB	
CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225410152	ARGIPYHBCMBYQT-QFIPXVFZSA-N	533.647	2.566	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O	225457603	JHXDNZPJMCJFON-OAHLLOKOSA-N	524.437	2.581	0	40	KFAB	
S=C(NCCN1CCOCC1)Nc1nc(N2CCN(c3ccccc3)CC2)cc(N2Cc3ccccc3C2)n1	225904786	YRMVFMWMCJXWDE-UHFFFAOYSA-N	544.729	2.942	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C)c1	260887974	KUPWNFDBVQSQKT-LJQANCHMSA-N	505.637	2.659	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/[C@@H]3C(=O)N(c4ccccc4)N=C3C)c(=O)n2[C@H]1c1ccc(OC)cc1OC	409021700	UIBBZCJORFKGIE-BPWXPGAYSA-N	560.632	2.806	0	40	KFAB	
CC(C)C[C@H]1NC(=O)C2(CC=CC[C@H]3COCC[C@H]3NC1=O)CCN(CC(=O)NCCc1ccccc1)CC2	2037879781	PQJHSXKMBOIYSC-OYUWMTPXSA-N	538.733	2.830	0	40	KFAB	
C[C@H]1CCc2c(sc3nc(SCC(=O)N[C@@H]4CCS(=O)(=O)C4)n(-c4ccccc4)c(=O)c23)C1	2619255	JWIGEQIKEZAQMW-LSDHHAIUSA-N	503.671	2.967	0	40	KFAB	
CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CO[C@@H]3[C@H](OC(=O)Nc4ccc(C(C)C)cc4)CO[C@H]23)cc1	4235710	YTIYKUZLUMCWPN-WBADGQHESA-N	503.577	2.830	0	40	KFAB	biogenic,in-vitro
COCCNC(=O)[C@@H](c1ccc2ncccc2c1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)c(OC)c1	6136201	FZJZDTQZMZBMAH-HSZRJFAPSA-N	564.624	2.540	0	40	KFAB	
CCOC(=O)N1CCN(C(=O)CSc2nc3c(c(=O)n2CCc2ccccc2)S[C@@H](C)C3)CC1	11726645	WIONVYBCITXOFM-KRWDZBQOSA-N	502.662	2.916	0	40	KFAB	
CS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)cc1	12870472	FKYAYJUTLYVVTQ-UHFFFAOYSA-N	515.009	2.714	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	19800758	JILDPVKNOZHPEN-JGTYQCAFSA-N	522.579	2.741	0	40	KFAB	
CCOC(=O)Nc1ccc2c(COC(=O)[C@@H](NS(=O)(=O)c3ccc(Cl)cc3)[C@@H](C)O)cc(=O)oc2c1	64734953	CFGHYQFQZZKBDZ-ASSNKEHSSA-N	538.962	2.786	0	40	KFAB	
COc1c2c(c(C)c3c1C(=O)OC3)O[C@@]1(C)C[C@H](O)[C@@]34O[C@@](OC)(C[C@H](OC(C)=O)[C@]3(C)[C@@H]1C2)OC4(C)C	72320100	WDGSJYYXVXQQHP-PCKBJRSASA-N	532.586	2.955	0	40	KFAB	biogenic,in-man
COc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2-c2ccccc2OC)cc1	97985102	WYDLLVPXMKGSRI-UHFFFAOYSA-N	652.755	2.966	0	40	KFAB	
COc1cc(S(=O)(=O)N2CCC(c3nc(O)c4nnn(Cc5ccc(Cl)cc5Cl)c4n3)CC2)ccc1-n1cnnn1	100446494	OXWDRGZQEZBMLR-UHFFFAOYSA-N	617.479	2.835	0	40	KFAB	
CCOC(=O)c1ccc2c(c1)s/c(=N\C(=O)c1ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc1)n2CC(=O)OC	100876158	SJRIOJRIDLXRIX-RNIQSSCISA-N	575.665	2.592	0	40	KFAB	
COc1ccc(C[C@@]2(CN3C[C@H]4C[C@H](C3)c3cccc(=O)n3C4)C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1	135935893	CZHXWJUFFYDJKV-KFCPHXPSSA-N	556.619	2.797	0	40	KFAB	
COc1ccc(-c2noc(CNS(=O)(=O)c3ccc(OC)c(C(=O)N4CCCCC4)c3)n2)cc1OC	223593917	OJNQZIMTUGCYKA-UHFFFAOYSA-N	516.576	2.867	0	40	KFAB	
C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	223743692	GQENKSPCKAFWRN-IBGZPJMESA-N	504.628	2.915	0	40	KFAB	
CC1=C[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2C[C@H]1n1[nH]c(=O)n(Cc2ccccc2)c1=O	253592574	XIYJHAGDCOPHAY-XUVXKRRUSA-N	509.360	2.846	0	40	KFAB	
COc1ccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)cc1OC	408659944	UABZADVCNVDRRF-ZDUSSCGKSA-N	510.330	2.686	0	40	KFAB	
COc1cc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)NCc2ccccc2)ccc1OC(C)=O	409386501	LYIVKENNBQRACE-KAYWLYCHSA-N	623.567	2.706	0	40	KFAB	
Cc1ccc(Cl)cc1S(=O)(=O)NCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)ccc1C	575426162	NRCVSAVCMGLGEB-SFHVURJKSA-N	555.527	2.767	0	40	KFAB	
Cc1cccc(OCCNC(=O)[C@@H]2CC(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)CCOc3ccccc3C(=O)N2)c1C	643578738	HDESCMHMEMMQET-SVBPBHIXSA-N	586.689	2.565	0	40	KFAB	
COc1cc(CNC[C@@]2(O)CCCN(c3cc(N(C)C)ncn3)C2)ccc1OCCN1CCC(C)CC1	2037924041	NBMKQSMRZJWATD-NDEPHWFRSA-N	512.699	2.783	0	40	KFAB	
CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@H](O)C[C@@H](O)CC(=O)OC[C@H](O)CO)[C@H]21	67665413	JWLPSAWDZUGURB-KHAGUISSSA-N	510.668	2.918	0	40	KFAB	in-vitro
O=C(NC(=S)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)C12CC3CC(CC(C3)C1)C2	96022202	DLJNDPAPMSOFOL-UHFFFAOYSA-N	548.731	2.574	0	40	KFAB	
COc1cc(NC(=O)c2cn(C)nc2S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)cc(OC)c1OC	102920687	AYTFCCYSLISXFY-UHFFFAOYSA-N	543.646	2.826	0	40	KFAB	
COc1ccccc1CCN[C@H]1CC(=O)N(c2ccc(N3C(=O)C[C@@H](NCCc4ccccc4OC)C3=O)cc2)C1=O	103128891	HKGBEMSTAWJJSY-WMPKNSHKSA-N	570.646	2.632	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	222652077	FEFKZPIPFYXFPP-CQSZACIVSA-N	532.446	2.940	0	40	KFAB	
CC(C)OCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222857551	YZFLUBUUPSZCDZ-JOCHJYFZSA-N	579.691	2.574	0	40	KFAB	
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)cc1	224452652	HBYVVQAXXZVHHU-UHFFFAOYSA-N	559.666	2.626	0	40	KFAB	
COc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)c(OC)c1	260771533	WKZZUUAJALSQNP-LJQANCHMSA-N	505.637	2.720	0	40	KFAB	
COc1ccc(OC)c(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Cl)c(Cl)c3)C2)c1	408651718	DNPRSVJJLMBODW-ZDUSSCGKSA-N	510.330	2.686	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCCC4)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OC	409160056	PJQMHFZRBQKJJF-GKKFRVOYSA-N	591.686	2.817	0	40	KFAB	
COc1cccc(CCCNC(=O)[C@@H]2CC(=O)N3CCC[C@@H]3C(=O)N[C@@H](CC(C)C)COc3ccccc3C(=O)N2)c1	643565187	URDLOWPYOOWORL-MSLLRLGPSA-N	578.710	2.847	0	40	KFAB	
CC(C)[C@@H]1NC(=O)C[C@@H](C(=O)NCCOc2ccc(F)cc2)NC(=O)c2ccccc2OC[C@@H](Cc2ccccc2)NC1=O	643567984	CQACTZYSKFXGIT-XWJWOQKWSA-N	604.679	2.770	0	40	KFAB	
CC1(C)NC(=O)C[C@@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC1=O	643576482	LMTOLDQNDGOJCE-CONSDPRKSA-N	715.823	2.700	0	40	KFAB	
COc1cccc(CN(C)C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)c1OC	12522323	BWDUJPFIZDVIBO-UHFFFAOYSA-N	503.621	2.597	0	40	KFAB	
COc1cc(/C=C/C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)cc(OC)c1OC	12560437	MGMMHFVYMJBHOV-RMKNXTFCSA-N	531.631	2.985	0	40	KFAB	
Cc1cc(C)c(C)c(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)c1C	15979470	AOMCGGZIEQLKFW-UHFFFAOYSA-N	523.677	2.579	0	40	KFAB	
CCN(C(=O)COC(=O)c1c(C)nn(-c2ccccc2)c1Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	38145885	VCFZYGZAGXGTLD-UHFFFAOYSA-N	536.976	2.525	0	40	KFAB	
COCCNC(=O)c1ccc(Cn2c(SCC(=O)NC[C@@H]3CCCO3)nc3ccc(Br)cc3c2=O)cc1	38150013	OZTATCINDOFNLR-FQEVSTJZSA-N	589.512	2.971	0	40	KFAB	
Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)c(C)c2)cc1	59852005	TXHKCWNGDLAGEF-UHFFFAOYSA-N	573.693	2.820	0	40	KFAB	
O=C(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl	59852543	CNDJRYRDDOVQPD-UHFFFAOYSA-N	537.019	2.809	0	40	KFAB	
CCCOc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCN(CC)CC2)cc1OC	72139782	CXYVZNZGJNHKQE-UHFFFAOYSA-N	546.690	2.899	0	40	KFAB	
CC(C)CN(C(=O)COC(=O)c1ccc(OC(F)(F)F)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	97982432	VPMRXJCFYMYQKN-UHFFFAOYSA-N	534.491	2.912	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O	223982788	QFVDTNZPRUMKKL-INIZCTEOSA-N	512.028	2.677	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O	224003180	QEOHCNHKBBXIHO-IBGZPJMESA-N	505.637	2.803	0	40	KFAB	
CSc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C(=O)N1CCCCCC1	224471611	WMWSNJFVHHFMAG-UHFFFAOYSA-N	597.781	2.803	0	40	KFAB	
CCCCC/C=C\C/C=C/C=C/C=C\[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)[C@@H](O)CCCC(=O)O	299888367	GWNVDXQDILPJIG-XMMDSXJRSA-N	625.785	2.777	0	40	KFAB	
COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(OC)ccc2OC)C1	408591597	JQYJJHKTMVPOQV-OAHLLOKOSA-N	522.576	2.547	0	40	KFAB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)NCCN1CCOCC1	408623310	PZHXFROIDCBLFM-UHFFFAOYSA-N	500.448	2.675	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCC(=O)O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409032768	DCRBZZZGUYHVPI-VRMPQCFQSA-N	675.112	2.874	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)O)c(I)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409050497	WNEGROSIFVBOMO-VRMPQCFQSA-N	736.537	2.817	0	40	KFAB	
COc1cccc(CCNC(=O)[C@@H]2CCC(=O)NC3(CCCC3)C(=O)N[C@H](C(C)C)COc3ccccc3C(=O)N2)c1	643572222	TXYGCBJJZUZEKT-UIOOFZCWSA-N	578.710	2.895	0	40	KFAB	
CCOC(=O)CNC(=O)[C@@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)cc1C	6546792	KHQCDELXJPCLQP-JOCHJYFZSA-N	539.614	2.517	0	40	KFAB	
COCCNC(=O)[C@@H](c1c[nH]c2ccccc12)N(Cc1cccs1)C(=O)c1snc(C(N)=O)c1N	6904916	HEOVLEUXSOJTHD-LJQANCHMSA-N	512.617	2.513	0	40	KFAB	
Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(O)cc2)cc1C	12474027	HIENZCIGFSCHSB-KNQAVFIVSA-N	523.615	2.830	0	40	KFAB	
COc1ccc([C@@H](CNC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)N2CCOCC2)cc1	12552859	SRGZFSDZZKAZLG-LOSJGSFVSA-N	503.665	2.886	0	40	KFAB	
O=C(CN1C(=O)c2ccccc2C1=O)Nc1nnc(CCNC(=O)c2cccc(Br)c2)s1	17971134	LBCISYXXISLNJS-UHFFFAOYSA-N	514.361	2.508	0	40	KFAB	
O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1	22229365	PBCFAUKETFQODC-UHFFFAOYSA-N	509.584	2.541	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	222700922	YDZODRPOGAOHDF-AWEZNQCLSA-N	532.446	2.940	0	40	KFAB	
COc1ccc(CN(C(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)[C@H](C)C(=O)NC(C)(C)C)cc1	223087082	IROKWHSYRTWQAE-GOSISDBHSA-N	515.632	2.952	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O	225450971	NGKJZRJIBTZSOS-QGZVFWFLSA-N	510.454	2.995	0	40	KFAB	
CC(C)CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	225702369	QLHCVUPRKHRPGR-INIZCTEOSA-N	536.448	2.783	0	40	KFAB	
CN(CC(=O)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)S(=O)(=O)c1ccc2ccccc2c1	226079447	MHUKIVNERPTNSN-UHFFFAOYSA-N	515.657	2.604	0	40	KFAB	
CCC(C)(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	299818020	YLXBZBPHTNJZQE-ATPVAOAWSA-N	591.753	2.911	0	40	KFAB	world
CC(=O)Nc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)C(c3ccccc3)c3ccccc3)C2)cc1	408655214	LOFDLHYBZGVQMY-QFIPXVFZSA-N	528.565	2.839	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccc(Cl)cc43)c(=O)n2[C@@H]1c1ccccc1OC	409120717	SEBBXRHZXMRTHF-GOBJLOIFSA-N	509.971	2.783	0	40	KFAB	
CC1(C)NC(=O)N(CCCOc2ccc(CN3CCOC[C@](O)(COc4ccc(F)cc4)C3)cc2)C1=O	585279094	CKZQORMJYIMGJF-MHZLTWQESA-N	515.582	2.567	0	40	KFAB	
O=C1C[C@@H](C(=O)NCCOc2ccc(F)cc2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCCC2)N1	643576580	TUZNJOOXLMMFBF-CONSDPRKSA-N	701.796	2.955	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3OC(C)=O)c(=O)n2[C@@H]1c1cccs1	2058825	ZRQWIVXUGDLUOS-VMOHIOPYSA-N	526.592	2.710	0	40	KFAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)CCn4nc(C(F)(F)F)c(Cl)c4C)[C@@H]3SC2)s1	2786713	BJZGECNHMSXRLY-WBMJQRKESA-N	583.039	2.945	0	40	KFAB	
CC(C)C[C@H]1NC(=O)[C@H](C(C)C)NC(=O)C[C@H](C)COC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](C(C)C)NC(=O)[C@@H](C(C)C)OC1=O	5048510	CWCLCJUWNJYVCD-WQGQLRQUSA-N	638.847	2.823	0	40	KFAB	
NC(=O)c1nsc(C(=O)N(Cc2cccnc2)[C@@H](C(=O)NC2CCCCC2)c2ccc(O)cc2)c1N	6445134	XPNKVBANYKVGRY-OAQYLSRUSA-N	508.604	2.757	0	40	KFAB	
Cc1noc(C)c1S(=O)(=O)N1CCCN(CCc2nc(N)c3c4c(sc3n2)C[C@@H](C)CC4)CC1	12693258	LOSYNWVWMRBRBU-AWEZNQCLSA-N	504.682	2.942	0	40	KFAB	
COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)S(C)(=O)=O)c(OC)c1	16215521	HGGNVOBLRSWJEG-UHFFFAOYSA-N	525.649	2.673	0	40	KFAB	
CCC(C)(C)n1nnnc1[C@H](c1cc2cc(OC)ccc2[nH]c1=O)N1CCN(Cc2ccccn2)CC1	20081892	INHWOLYVZFMQMA-DEOSSOPVSA-N	502.623	2.971	0	40	KFAB	
COC(=O)[C@H]1[C@@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C/c3c(C)nn(-c4ccccc4)c3C)c(=O)n12	20602348	ZGQVOMJTPLZNRP-PZLUBQKNSA-N	500.580	2.662	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)cc1OC	38140328	PFQFPCVNWNFKHW-UHFFFAOYSA-N	537.660	2.528	0	40	KFAB	
COC(=O)C[C@](O)(CCCC(C)(C)O)C(=O)O[C@H]1C(OC)=C[C@]23CCCN2CCc2cc4c(cc2[C@@H]13)OCO4	43450320	HYFHYPWGAURHIV-YFVZOPNBSA-N	545.629	2.581	0	40	KFAB	biogenic,in-vitro
O=C(Nc1ccccc1C(=O)N1CCCC1)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	97995548	XAMJSKVJSCJJON-SANMLTNESA-N	582.704	2.625	0	40	KFAB	
COc1ccc(OC)c(NC(=O)[C@H](C)OC(=O)c2ccccc2NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1	102975162	UPMOEPQKLVVFGC-AWEZNQCLSA-N	540.554	2.858	0	40	KFAB	
C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1	108330189	CJQSLBHAGYUEPH-ZRCGQRJVSA-N	521.680	2.796	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223025903	RSQUSQYWHRDKBV-FQEVSTJZSA-N	517.648	2.866	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	223531593	QJKHEQJBAKRVFB-FQEVSTJZSA-N	519.664	2.846	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	261017720	VPYVJWBQFFWTDQ-PMACEKPBSA-N	519.664	2.844	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OCCN3CCCC3)cc2)C[C@@](O)(COc2cc(F)cc(F)c2)C1	585273356	CJXWKMVULXJMPR-NDEPHWFRSA-N	533.616	2.540	0	40	KFAB	
CC(C)N1CC(=O)NCCCCCOc2ccc(CCC(=O)N3CCCC[C@@H]3CCNS(=O)(=O)N(C)C)cc2C1	643577179	JOPNZQFHHKGIFX-AREMUKBSSA-N	579.808	2.676	0	40	KFAB	
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(=O)[C@H](C)[C@@H]2OC(=O)O[C@]21C	2048392544	NKLGIWNNVDPGCA-IKMWGGLQSA-N	759.931	2.968	0	40	KFAB	biogenic
O=C(COC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)Nc1ccc2c(c1)OCO2	3301493	PXMPGYCXKPWZMT-UHFFFAOYSA-N	512.496	2.783	0	40	KFAB	
COCCNC(=O)[C@@H](c1ccc2ncccc2c1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(OC)c1	6136205	AIIQRTZBUFQEEN-JOCHJYFZSA-N	534.598	2.532	0	40	KFAB	
NS(=O)(=O)c1ccc(NC2=C[C@@H](c3ccc(Cl)cc3)N(c3ccc(S(N)(=O)=O)cc3)C2=O)cc1	9466075	DXUMSWVMNKGVAC-NRFANRHFSA-N	519.004	2.719	0	40	KFAB	
CC(C)CCN(C(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	13098626	KVFVPJNXALEWFN-UHFFFAOYSA-N	503.559	2.513	0	40	KFAB	
COc1cccc(C[C@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1	13150548	DKSDPHWGBANLNP-SANMLTNESA-N	509.628	2.865	0	40	KFAB	
COc1ccc(-c2nnc(SCC(=O)NN3C(=O)NC4(CCC(C)CC4)C3=O)n2C[C@@H]2CCCO2)cc1	14077472	JIWBOTSQTCMDGV-RLPAFRLCSA-N	528.635	2.757	0	40	KFAB	
O=C(NCc1ccccc1)[C@@H](c1ccc(F)cc1)N(CCN1CCOCC1)C(=O)Cn1nnc2ccccc21	19973422	UJRHOMIZTGQJAK-MUUNZHRXSA-N	530.604	2.789	0	40	KFAB	
CCN(CC)CCCN(Cc1cc2ccc(OC)cc2[nH]c1=O)C(=S)NCCCN1CCOCC1	20081503	INRAACOJPFVCSI-UHFFFAOYSA-N	503.713	2.667	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)C2)cc1	26111322	RULNFOLHVQVMIV-QUCCMNQESA-N	501.605	2.643	0	40	KFAB	
O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1	59838451	JSTWJABPYQBLNJ-UHFFFAOYSA-N	570.531	2.951	0	40	KFAB	
CCOc1ccc(-n2c(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nnc2SCC(=O)Nc2nnc(C)s2)cc1	101181677	XGDWGSCABQYNQI-UHFFFAOYSA-N	616.751	2.737	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	223501173	YJZUNKZHTRGXNU-LJQANCHMSA-N	533.647	2.914	0	40	KFAB	
CC(C)n1c(=O)sc2cc(S(=O)(=O)NCCOc3ccc(S(=O)(=O)N4CCCC4)cc3)ccc21	224350981	ALCQLJQGWUTCBR-UHFFFAOYSA-N	525.674	2.786	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCN(Cc2c(F)cccc2Cl)CC1	224478989	HZIJWFNTUIVLAA-UHFFFAOYSA-N	540.057	2.907	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N(C)CC(=O)N2C[C@@H](C(=O)NCc3ccccc3)Oc3ccccc32)cc1	226044451	WTIOAZCSDAFDJU-VWLOTQADSA-N	523.611	2.816	0	40	KFAB	
COc1ccc(CCN2C(=O)[C@@H]3[C@H](C(=O)Nc4cc(C)on4)[C@@]4(C)C=C[C@@]3(O4)[C@H]2C(=O)NC(C)(C)C)cc1	245230237	NSDQYXOKVQAGLP-LDTWXCKZSA-N	522.602	2.628	0	40	KFAB	
CC(C)Oc1cccc(N[C@H]2CC[C@@H](C(=O)NS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)CC[C@@H]2O)c1	257239306	HOSKPRJMDFOCRU-VSDWSMLSSA-N	524.661	2.714	0	40	KFAB	
Cc1ccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NCCCN4CCOCC4)CC3=O)cc2)c(C)c1	408581862	UWVWMEBVAUGMPG-QFIPXVFZSA-N	508.619	2.512	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(N(C)C)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	408862424	YQXDYHUUASMNNM-ACEGTKJHSA-N	560.426	2.949	0	40	KFAB	
CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3cc(Br)c(O)cc3O)c2=O)=N1	409031021	GHLJJRZYNWVDFC-JZVSFUAJSA-N	515.385	2.972	0	40	KFAB	
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)N3C[C@@H]4C[C@H](C3)CN3C(=O)CCC[C@H]43)[C@H]21	604403870	AYXVRVLRTNRVFZ-QNHVATRXSA-N	544.608	2.678	0	40	KFAB	biogenic
NS(=O)(=O)c1ccc(CCNC(=O)c2cccc3c2CN(Cc2ccccc2)CC(=O)NCCCCCO3)cc1	643573653	UYCPELZQZWSBAI-UHFFFAOYSA-N	564.708	2.988	0	40	KFAB	
COc1ccccc1N(CCOC(=O)Cn1cnc2ccccc2c1=O)C1=NS(=O)(=O)c2ccccc21	1461825	OTZJZQIJQFKYCT-UHFFFAOYSA-N	518.551	2.604	0	40	KFAB	
CCOC(=O)c1c(NC(=O)CSc2nnnn2-c2cccc(C(=O)OC)c2)sc(C(C)=O)c1C	12711911	RKWDLOZSRXDGFP-UHFFFAOYSA-N	503.562	2.929	0	40	KFAB	
CCOC(=O)c1c(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)sc2c1CC[C@@H](C)C2	13141096	KTNZDGRSBTZWCQ-QGZVFWFLSA-N	505.662	2.995	0	40	KFAB	
COc1ccc(Cc2nn([C@@H]3O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)c(=S)n(-c3ccc(OC)cc3)c2=O)cc1	82186650	GGRYTMHFAXMTQD-NWBQTEKMSA-N	685.708	2.627	0	40	KFAB	
COc1cc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@@H]2CCCO2)c2sccc2C)ccc1-n1cnnn1	100335974	ABINLCOHWBJPMP-RXFWQSSRSA-N	587.666	2.855	0	40	KFAB	
CC(=O)Oc1ccc(C(=O)[C@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3[C@H]3C=CC=NN32)cc1	101590063	FZSSCWNLRCNLKE-XRXFAXGQSA-N	508.328	2.971	0	40	KFAB	
C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)cc2)C[C@H](C)O1	150682873	TVDLVOSWDQNDNZ-XDZXDJIYSA-N	819.981	2.808	0	40	KFAB	
COc1ccc(CN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)[C@@H](C)C(=O)NCc2cccnc2)cc1	222938160	ILQIXPYSPIECHQ-NRFANRHFSA-N	524.643	2.586	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C	223497219	UGCOGWLNNCNHGV-FQEVSTJZSA-N	504.653	2.642	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	225475659	PQDQSHUPBVMPCU-GHTZIAJQSA-N	503.621	2.903	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3OC)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409034128	NGQNIJVYHNSIBL-WPUHHHFCSA-N	596.658	2.766	0	40	KFAB	
COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)C2=O)cc1	409200560	MPTLDHZWXAQIQO-HMAPJEAMSA-N	541.582	2.616	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OCCn3ccnc3C)c(OC)c2)C[C@@](O)(COc2cc(F)cc(F)c2)C1	585275166	YQNZASZXDHQHEO-LJAQVGFWSA-N	574.625	2.658	0	40	KFAB	
CCN1CCN(Cc2cnc(N3CCOCC3)nc2)CCOc2ccccc2Oc2ncccc2C1=O	643571644	JEHKIOGROIUZIY-UHFFFAOYSA-N	504.591	2.857	0	40	KFAB	
O=C1NC2(CCOc3cc(-c4cccnc4)ccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(C(=O)Nc1cccc(F)c1)CC2	1548890552	SSZQTNMGGOZDNV-RPBOFIJWSA-N	609.680	2.977	0	40	KFAB	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCCO4)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1	660640	DQDZHQJKBZKJMZ-PLQXQRLBSA-N	536.606	2.975	0	40	KFAB	
CC(=O)Nc1ccc(S(=O)(=O)N(c2nccnc2Cl)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	1706365	IGPSNPSSGDDJCC-UHFFFAOYSA-N	523.980	2.631	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1	8767043	IJWFMQHEXCQXQQ-INJUALFYSA-N	601.523	2.914	0	40	KFAB	
CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)C[C@H]2CCCO2)cc1	13151207	PIQDPFKKLJNHTJ-HXUWFJFHSA-N	509.650	2.526	0	40	KFAB	
CCOc1ccccc1N(CC(=O)NCCCN1CCN(C)CC1)S(=O)(=O)c1ccc(Cl)cc1	22829707	MLAUDLCWTDUIGR-UHFFFAOYSA-N	509.072	2.688	0	40	KFAB	
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)n1	44900628	KHXXOEUSMFJWME-SFHVURJKSA-N	517.633	2.996	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(Cc3ccc4c(c3)OCO4)[C@H](C(=O)NC[C@H]3CCCO3)c3ccco3)n2)cc1OC	100277483	CXBCVOGOZCFMAP-PIKZIKFNSA-N	604.620	2.744	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	223051696	FPKIQWYVPUKZBZ-INIZCTEOSA-N	556.479	2.786	0	40	KFAB	
CN(CC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1)S(C)(=O)=O	223331777	YVESCKYFHMGTAN-AREMUKBSSA-N	523.611	2.693	0	40	KFAB	
Cn1c(=O)c2ccc(C3CCN(C(=O)[C@H](N)Cc4ccc(F)cc4)CC3)nc2n(Cc2ccccc2)c1=O	257282339	OTJBLGXFJBXQOQ-XMMPIXPASA-N	515.589	2.559	0	40	KFAB	
COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C(=O)N1CCCCCC1	408693425	TXINFTATFABHHA-UHFFFAOYSA-N	537.660	2.533	0	40	KFAB	
CCOC(=O)COc1ccccc1/C=c1\sc2n(c1=O)[C@H](c1ccc(F)cc1)C(C(=O)OCC)=C(C)N=2	408805799	HRBVUIGEJQCGAI-OBVMJLIASA-N	524.570	2.879	0	40	KFAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCC(=O)O)c3)c(=O)n2[C@H]1c1ccccc1OC	409103451	WOVGKWKNAXKGAC-DIXABZHVSA-N	535.622	2.576	0	40	KFAB	
COc1ccc(N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)S(=O)(=O)c2ccccc2)cc1	2648472	BSOCRERIWMZYKN-UHFFFAOYSA-N	503.602	2.925	0	40	KFAB	
CCCCN(C(=O)CSc1nnc(-c2ccccc2OC)n1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	3370924	QDLTVXXUIBKFSH-UHFFFAOYSA-N	549.657	2.897	0	40	KFAB	
CCN(CC)C(=O)CN1C(=O)[C@]2(N[C@H](CC(C)C)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)c2ccccc21	15276746	HNCICGFNJFYBRP-IQPSUQMJSA-N	516.642	2.916	0	40	KFAB	
CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)Cn1c(Cl)nc2c1c(=O)n(C)c(=O)n2C	27525931	FWAFMZZAXXOGHG-UHFFFAOYSA-N	501.952	2.631	0	40	KFAB	
CSCC[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCN(C(=O)c2ccco2)CC1	32999920	VIDKGOZJQWAXDU-KRWDZBQOSA-N	519.567	2.683	0	40	KFAB	
CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NCc1ccc(CN3CCOCC3)cc1)O2	38831918	OTTDNYQEGGYAJI-DEOSSOPVSA-N	501.649	2.660	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC(C)=O)c3)c(=O)n2[C@H]1c1ccc(OC)cc1OC	59418431	DYFUVCULJQQLHH-MFUBYVTQSA-N	522.579	2.741	0	40	KFAB	
COc1cc(/C=C/C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)cc(S(=O)(=O)N2CCc3ccccc32)c1OC	97980428	VTQKQHLKNZWHQB-JXMROGBWSA-N	698.820	2.965	0	40	KFAB	
CCOc1ccc(N(CC(=O)NCCCN2CCN(C)CC2)S(=O)(=O)c2ccc(Br)cc2)cc1	100086904	QWSMSANBUPCSPF-UHFFFAOYSA-N	553.523	2.797	0	40	KFAB	
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)/N=c3/sc4cc(F)ccc4n3C)cc2)CC1	100843481	NKYZVIXOIXQJJM-DARPEHSRSA-N	506.581	2.583	0	40	KFAB	
O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1	103035893	PACARMQSGIYXRG-UHFFFAOYSA-N	522.008	2.968	0	40	KFAB	
CCCCn1c(N)c(N(CCOC)C(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2F)c(=O)[nH]c1=O	103090435	XROBXABRMOLFIP-UHFFFAOYSA-N	568.631	2.529	0	40	KFAB	
CCCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222857849	YSDJLBBNCMJGJI-OAQYLSRUSA-N	549.665	2.949	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O	223980381	XDYKHPCJYPVOND-MRXNPFEDSA-N	526.453	2.777	0	40	KFAB	
CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	225706803	SAZZXDDJKJQFBL-OAQYLSRUSA-N	505.637	2.802	0	40	KFAB	
CNS(=O)(=O)c1ccc(C)c(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	226013585	YYPHXRXAAOWEKK-UHFFFAOYSA-N	539.676	2.882	0	40	KFAB	
COc1cc([C@H](Nc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)C(=O)NC[C@H]2CCCO2)cc(OC)c1OC	245230072	LAZTWJYUGPHMKS-OTPAQWSUSA-N	563.673	2.618	0	40	KFAB	
CN1CCN(C(=O)C[C@H]2CN(C(=O)CN3CCCCCC3=O)CC[C@@H]2Oc2ccc(Cl)cc2)CC1	257334223	YFBRCIVFWBJBGV-REWPJTCUSA-N	505.059	2.503	0	40	KFAB	
CCCC1=C(C(=O)OCC)[C@H](c2ccc3c(c2)OCO3)n2c(s/c(=C\c3cccc(OCC(=O)O)c3)c2=O)=N1	408837882	PFXJWBXPWVWRSI-VCDQAHEJSA-N	550.589	2.771	0	40	KFAB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\[C@@H]4C(=O)N(c5ccccc5)N=C4C)c(=O)n32)cc1OCC	408932959	GBTBBZZYCNEJAT-GNLNAMTISA-N	560.632	2.806	0	40	KFAB	
CCc1nccn1CCOc1ccc(CN2CCN(C(=O)COC)C[C@](O)(COc3cc(F)cc(F)c3)C2)cc1OC	2037932402	FOTGBHPSAMBAMA-PMERELPUSA-N	588.652	2.912	0	40	KFAB	
CCOP(=O)(OCC)[C@@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)C(Cl)(Cl)Cl	2106938	JYMSANVMPPHQNZ-CQSZACIVSA-N	507.716	2.910	0	40	KFAB	
O=C(COC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1	3297942	HHNSHUZFRNNLED-UHFFFAOYSA-N	554.602	2.644	0	40	KFAB	
COC(=O)c1ccc2c(=O)n(CCCCCC(=O)N3CCN(c4ccc(C(C)=O)cc4)CC3)c(=O)[nH]c2c1	9529814	LTKIKSPBRIEBNO-UHFFFAOYSA-N	520.586	2.588	0	40	KFAB	
COC(=O)C1CCN(C(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)CC1	10542092	VAYBTRVMWCGZRZ-UHFFFAOYSA-N	510.996	2.964	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)C2)cc1	26111329	RULNFOLHVQVMIV-ICSRJNTNSA-N	501.605	2.643	0	40	KFAB	
COc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)S(C)(=O)=O)cc1	44848997	IBUURRWOJDQOAS-INIZCTEOSA-N	504.590	2.684	0	40	KFAB	
COc1ccccc1NC(=O)C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1	59607532	AJCGAFXZNQLOGL-HHHXNRCGSA-N	555.679	2.758	0	40	KFAB	
COc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)S(C)(=O)=O)cc1	60060177	UWOYNRRLZUEJSV-KRWDZBQOSA-N	533.632	2.696	0	40	KFAB	
CCOc1ccccc1N1CCN(S(=O)(=O)c2nn(C)cc2C(=O)N2CCc3ccccc3C2)CC1	67336906	JYTZQAIYGPCCJR-UHFFFAOYSA-N	509.632	2.528	0	40	KFAB	
COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)Cc3cc(OC)c(OC)c(OC)c3)C2)c1	222567056	YUHSMGGLNQOZFH-GOSISDBHSA-N	522.620	2.789	0	40	KFAB	
CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)c2)CC1	224460868	GRPPECBUQXKYNW-UHFFFAOYSA-N	586.132	2.590	0	40	KFAB	
C[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(Cl)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	224657012	WHMFPZXIHZZETI-INIZCTEOSA-N	504.008	2.961	0	40	KFAB	
O=S1(=O)NC[C@H](O)CN(CC2CCCC2)C[C@]2(COc3cc(-c4ccccc4F)ccc31)C[C@H](O)[C@H](O)C2	253395534	BZNXIQGQTBLYEH-WVZMWUMTSA-N	548.677	2.519	0	40	KFAB	
CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3[C@H]3C=CC=NN23)cc1	253487154	FZSSCWNLRCNLKE-MHTWAQMVSA-N	508.328	2.971	0	40	KFAB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	408546382	RXCZMXLGZGBLGX-UHFFFAOYSA-N	533.603	2.681	0	40	KFAB	
Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2ccc(O[C@H](C)C(=O)N3CCOCC3)cc2)CC1	408609427	SVYOCVPLMVFJTB-LJQANCHMSA-N	508.040	2.785	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@H](Oc2cccc3c2C(=O)O[C@H](c2ccc(OC(C)=O)cc2)C3)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	1077995382	AVJCERHUOKLBBK-GSTWNWCBSA-N	628.583	2.528	0	40	KFAB	biogenic
O=C1NC2(CCOc3cc(-c4ccccc4)ccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(Cc1ccccn1)CC2	1548888791	AVRGDSGZFISWOZ-FTJBHMTQSA-N	562.692	2.806	0	40	KFAB	
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](CCSC)C(=O)NC[C@@H]3CCS(=O)(=O)C3)c(=O)cc1[C@H](NC(C)=O)CC2	1565538602	YMMYBIRAEFLUQG-DNVKUUNQSA-N	647.816	2.948	0	40	KFAB	biogenic
CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)c2ccccc2OCCCCCCNC1=O	1615160366	OONMQNAVKHUDEN-GOTSBHOMSA-N	514.667	2.788	0	40	KFAB	
CCOCCCN(C(=O)Cn1nnc(-c2ccc(C)o2)n1)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccc(F)cc1	6600134	SENVQAZNIJMONJ-XUZZJYLKSA-N	528.585	2.672	0	40	KFAB	
CCOc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(Cc2ccc(OC)cc2)C(=O)c2snc(C(N)=O)c2N)cc1	6601707	CKSRHXMNPRMCAA-ZJSXRUAMSA-N	567.668	2.910	0	40	KFAB	
O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1)NC(=O)NCc1ccco1	14357513	GVFQHXCSYPSMEV-UHFFFAOYSA-N	505.936	2.594	0	40	KFAB	
Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)CC2)cc1	70687173	UWQCHIAICLGGTO-NSOVKSMOSA-N	577.703	2.935	0	40	KFAB	biogenic
COc1c(Br)cc(Br)cc1C(=O)NC(=S)Nc1ccc(S(N)(=O)=O)cc1	105314597	UBWJXSXDOXJIIC-UHFFFAOYSA-N	523.228	2.994	0	40	KFAB	
COc1cc(OC)cc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3cc(Cl)ccc3Cl)CC2=O)c1	139042364	JYXVQAWHKQVRJD-ZDUSSCGKSA-N	510.330	2.686	0	40	KFAB	
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(=O)[C@H](C)[C@@H]2OC(=O)O[C@@]21C	169676996	NKLGIWNNVDPGCA-CVLPOFKSSA-N	759.931	2.968	0	40	KFAB	biogenic
CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O	222851003	XVCILEXPXKTVBP-MRXNPFEDSA-N	526.453	2.695	0	40	KFAB	
COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCCOc3ccc(S(=O)(=O)N4CCCC4)cc3)Oc3ccc(C)cc32)cc1	224325483	ZCOOZIUIJIOIHZ-NDEPHWFRSA-N	615.730	2.940	0	40	KFAB	
COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O	224785017	BNYADVYFFOEPFF-UHFFFAOYSA-N	519.592	2.845	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)cc1Cl	226046915	MKWTUHVQUHTWJW-UHFFFAOYSA-N	570.133	2.893	0	40	KFAB	
COc1ccc(N2C(=O)NC(=O)[C@](Cc3ccc(O)c(OC)c3)(CN3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)C2=O)cc1	263585574	KFYSGPSROCVUBA-LPYUBCQDSA-N	572.618	2.502	0	40	KFAB	biogenic
CC(C)Oc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)NCCCN3CCOCC3)CC2=O)cc1	408578248	KNBUMHMSEVGGMH-NRFANRHFSA-N	508.619	2.918	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCCC4)cc3)c(=O)n2[C@@H]1c1ccc(F)cc1	409150368	BJKYPHZTMNFUCF-CINCIDGWSA-N	549.624	2.939	0	40	KFAB	
CCCN1C[C@H](C)[C@H](O)[C@](C)(O)[C@H](CC)OC(=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]1C	504567002	VWAMTBXLZPEDQO-KAOPAAHPSA-N	777.050	2.681	0	40	KFAB	biogenic
COc1ccc(CCCNC(=O)[C@@H]2CCC(=O)NC(C)(C)C(=O)N[C@H](C(C)C)COc3ccccc3C(=O)N2)cc1OC	643571978	WAPHCTRCLLKRRL-ZEQRLZLVSA-N	596.725	2.759	0	40	KFAB	
CCOC(=O)Cn1nnnc1CN(Cc1ccc2c(c1)OCO2)Cc1cc2cc(CC)ccc2[nH]c1=O	926051	CRVORYLIVVTTMD-UHFFFAOYSA-N	504.547	2.571	0	40	KFAB	
O=S(=O)(N[C@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4cccc(F)c4)n3)CO[C@H]12)c1cccc2cccnc12	5440290	XOOHYZNUVXMELK-UWXQAFAOSA-N	507.547	2.756	0	40	KFAB	biogenic,in-vitro
COc1ccccc1NC(=O)Cn1nnc(-c2ccccc2NS(=O)(=O)c2ccc(NC(C)=O)cc2)n1	12485208	PLTFBLQOBZEGGQ-UHFFFAOYSA-N	521.559	2.747	0	40	KFAB	
Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(N4CCN(C(=O)[C@H]5CCCO5)CC4)cc3)n2)cc1	13564497	DVQMLGBXRDGDLP-RUZDIDTESA-N	501.587	2.685	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc2c(c1)N(CCCN1CCN(S(C)(=O)=O)CC1)c1ccccc1S2	31302808	GCQSBCDRVDTMSX-UHFFFAOYSA-N	510.707	2.507	0	40	KFAB	
NC(=O)CC[C@@H](NC(=O)/C(=C\c1cn(-c2ccccc2)nc1-c1cccnc1)NC(=O)c1ccccc1)C(=O)O	108662399	WNFOSJUJOMLDCW-DIVQNALZSA-N	538.564	2.540	0	40	KFAB	
CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1ccc(I)cc1	139704247	UBWKZGIQCHLXOB-UHFFFAOYSA-N	586.433	2.892	0	40	KFAB	
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Cl)cc3C)S(C)(=O)=O)cc2)n1	216400458	HVOPGBWKMMZITQ-UHFFFAOYSA-N	524.024	2.952	0	40	KFAB	
C[C@H](C(=O)NCc1ccc2c(c1)OCO2)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222857331	JXZPBPXSMNMJFC-OAQYLSRUSA-N	613.664	2.688	0	40	KFAB	
CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	224197022	ZCMKPUFADGTAEE-OAQYLSRUSA-N	505.637	2.722	0	40	KFAB	
COC(=O)/C=C/CC/C=C/[C@H](OC)[C@H](O)[C@H](C)/C=C(/C)[C@H](O)[C@@H](C)C(=O)CCC[C@@H](CC(N)=O)CC(=O)OC	252514134	BJMXBTRNBWZGEQ-DFEKDJRGSA-N	553.693	2.801	0	40	KFAB	biogenic,in-vitro
COCCCNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(Br)cc3)cc2)C1	408575666	FGGBDVXREVZHST-MRXNPFEDSA-N	504.381	2.972	0	40	KFAB	
COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1C(=O)N1CCOCC1	408693346	PIURSTVKCNPNTA-UHFFFAOYSA-N	509.584	2.898	0	40	KFAB	
O=S1(=O)C[C@@H]2[C@H](C1)N(Cc1cccc(Cl)c1)[C@H]1CS(=O)(=O)C[C@@H]1N2Cc1cccc(Cl)c1	575420122	GAYGCHHVCBKQCS-MYGLTJDJSA-N	515.484	2.642	0	40	KFAB	
O=C(c1cccc(F)c1)N1CCCCC2(CCN(Cc3ccccn3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1	643580895	XOPHAXPOAZFEQU-LOSJGSFVSA-N	513.610	2.784	0	40	KFAB	
CCOC(=O)C1=c2s/c(=C\c3ccc(Cl)cc3)c(=O)n2C(N)=C(C(=O)OC)[C@@H]1c1ccc(Cl)cc1	2056689	JNGWZWAKNOEMAD-FSEPTYSPSA-N	531.417	2.857	0	40	KFAB	
COc1ccc(COC(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)OCc2ccccc2)cc1	5542204	CRXSREULUSVSDD-QFQXNSOFSA-N	547.608	2.897	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCOCC4)o3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	8451562	ALXHGKAUUJJKKY-YHHBSCGTSA-N	553.637	2.635	0	40	KFAB	
CCOC(=O)C1CCN(C(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)CC1	13881143	XITDALAPQKRLQE-UHFFFAOYSA-N	520.604	2.709	0	40	KFAB	
C[C@@H](C(=O)NC(C)(C)C)N(C(=O)C[S@@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1cccc(F)c1	19941173	BGPYPFNJZWPPLU-KEKDSOFASA-N	505.568	2.578	0	40	KFAB	
CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4ccc(O)cc4)CC3)cc2c1	20080505	JZZJEMQSFYFYDG-BVAGGSTKSA-N	531.617	2.710	0	40	KFAB	
COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCCN4CCOCC4)CC(=O)N32)c1OC	20411849	PPQWQVTVDLSHNN-WNCULLNHSA-N	518.614	2.592	0	40	KFAB	biogenic
CC(C)(O)CCC(=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@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C	38143730	VVBWBGOEAVGFTN-DTYACPJOSA-N	520.707	2.944	0	40	KFAB	biogenic,in-vitro
Cc1cc2oc(-c3cc(C(=O)N4CCC[C@@H]4C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)cc4c3OCOC4)cc(=O)c2cc1C	102013640	CFKSVMVGALEHAP-LOSJGSFVSA-N	618.687	2.680	0	40	KFAB	
COc1cc2c(=O)n(Cc3ccc(C(=O)N4CCCC4)cc3)c(=O)n(CC(=O)N3CCC(C)CC3)c2cc1OC	102524159	VXBRIGKSDZFCLW-UHFFFAOYSA-N	548.640	2.723	0	40	KFAB	
COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3cc(C(F)(F)F)ccc3N3CCOCC3)C2=O)cc1OC	102996713	RJHXVASHKHUIBP-XMMPIXPASA-N	536.507	2.965	0	40	KFAB	
CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O	223431529	KIPCEXMNDPAJGA-FQEVSTJZSA-N	526.453	2.777	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	223546222	ONQWFKDOPFXFRA-OAQYLSRUSA-N	531.675	2.990	0	40	KFAB	
CS(=O)(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(Cl)c1	408682292	WNPKPBQHGJPAOY-UHFFFAOYSA-N	516.041	2.546	0	40	KFAB	
COC(=O)COc1c(I)cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1OC	409102171	CYFKWXRVXZMWIM-RQZCQDPDSA-N	579.347	2.691	0	40	KFAB	
NC(=O)C[C@@H](c1cccc(OC(F)F)c1)c1oc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c1O	524730673	SIKVVYUWYCZFGP-SYNHAJSKSA-N	527.524	2.735	0	40	KFAB	biogenic
CN(CCC(=O)N1CCO[C@](COc2ccc(F)cc2)(CC(=O)N2CCOCC2)C1)c1ccc(F)cc1	585283591	FHVHZEOCQDOWQR-HHHXNRCGSA-N	517.573	2.717	0	40	KFAB	
CC(=O)N1CC[C@H]2CCC[C@@H](CN(C(=O)CN3CCN(C)CC3)Cc3ccccc31)N2Cc1nccs1	643578367	UPIMHQXNWLNFNU-RPBOFIJWSA-N	524.735	2.899	0	40	KFAB	
Cc1ccc(NC(=O)COC(=O)[C@H](NS(=O)(=O)c2ccc(Cl)cc2)[C@H](C)O)c(Br)c1	3280810	NKDHKXGBSBSUAW-KPZWWZAWSA-N	519.801	2.621	0	40	KFAB	
CCOc1ccc(-n2c(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)nnc2-c2cccc(Cl)c2)cc1	3377484	KLODPNFVWAQYLS-UHFFFAOYSA-N	527.006	2.941	0	40	KFAB	
NC(=O)c1nsc(C(=O)N(c2ccccc2F)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)c1N	12473317	VGDWRNONWIHSNH-QRWLVFNGSA-N	515.542	2.786	0	40	KFAB	
COc1ccc(N(CC(=O)N[C@H]2CCS(=O)(=O)C2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1	12632543	PPSTVTNLPOKTGV-ZDUSSCGKSA-N	507.417	2.501	0	40	KFAB	
O=C(Nc1ccccc1)c1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2S(=O)(=O)N2CCOCC2)cc1	98007847	HPWZSRKPHXIDDI-UHFFFAOYSA-N	587.676	2.773	0	40	KFAB	
CCOC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)sc2cc(S(N)(=O)=O)ccc21	100877537	NWFXYVWYWWMCDJ-SGEDCAFJSA-N	610.780	2.957	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C	225538548	DOBYYPRGBFTERC-AREMUKBSSA-N	522.671	2.994	0	40	KFAB	
COC(=O)c1cc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)c(Cl)c3)C2)cc(C(=O)OC)c1	408582316	CFONGMJTQVBOKJ-AWEZNQCLSA-N	524.979	2.961	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/[C@H]3C(=O)N(c4ccccc4)N=C3C)c(=O)n2[C@@H]1c1ccc(F)cc1	409022065	IOKUHSJUOSUAIE-LFHWXDKUSA-N	518.570	2.928	0	40	KFAB	
O=C(CN1C(=O)S/C(=C/c2cc(Cl)cc(I)c2O)C1=O)N1CCOCC1	409130502	IFHZSLXGWOZUOG-WUXMJOGZSA-N	508.721	2.545	0	40	KFAB	
C[C@H]1COCCCCC2(CCN(C(=O)C3(c4ccc(F)cc4)CCOCC3)CC2)C(=O)N[C@@H](C)C(=O)N1	643564094	GUJQWEWFBDQOFW-SFTDATJTSA-N	517.642	2.693	0	40	KFAB	
CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCOCc2ccccc2Cl)CC(=O)N[C@@H](Cc2ccccc2)C1=O	643579101	QCIINLFBQALITE-SVBPBHIXSA-N	607.107	2.740	0	40	KFAB	
CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)N2CCOCC2)NC(=O)c2ccccc2OCCCCCCN(C)C(=O)[C@H](Cc2ccccc2)NC1=O	1615156012	IYUQKRCMDVJMTK-CHQNGUEUSA-N	677.843	2.704	0	40	KFAB	
CC(C)=CCC[C@@](C)(O)[C@@H]1CC[C@]2(C)[C@H]3C[C@@H](O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)[C@@H]4C(C)(C)[C@H](O)CC[C@@]4(C)[C@@H]3C[C@H](O)[C@H]12	1616183155	GSQSHJKCFFWWFN-QJDMQQDTSA-N	624.856	2.906	0	40	KFAB	
CCOc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2cccs2)cc1	6601011	OWSHGOPRGFBOLM-UZLBHIALSA-N	529.644	2.968	0	40	KFAB	
O=C(C[S@@](=O)CC(=O)N(CC(=O)NC1CCCCC1)c1ccccc1F)Nc1ccc2c(c1)OCO2	12710218	MHIYSGPQAWIQOF-BHVANESWSA-N	517.579	2.724	0	40	KFAB	
CCOC(=O)CN(C(=O)C[S@@](=O)CC(=O)Nc1ccc(C)cc1)[C@H](CC(C)C)C(=O)NC1CCCCC1	20097865	JUZPRTXJCGFKLC-RYXSGMGPSA-N	535.707	2.938	0	40	KFAB	
COc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)Nc3ccc4c(c3)OCCO4)c2=O)cc1OC	35396806	OSQLGVPIYRRNSY-UHFFFAOYSA-N	514.556	2.725	0	40	KFAB	
CCOc1cc(CC2(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1O	70670203	YOLQANLNDICHCO-MSOLQXFVSA-N	603.539	2.579	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	222522330	RAOCRAVZOCGESZ-XMMPIXPASA-N	555.628	2.749	0	40	KFAB	
COCCNS(=O)(=O)c1ccc(OCC(=O)N2C[C@@H](C(=O)NCCc3ccccc3)Oc3ccccc32)c(Cl)c1	222835771	KLQGJDOJOBOZQZ-SANMLTNESA-N	588.082	2.797	0	40	KFAB	
CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O	222877912	CJOBBQVTQXGXGG-XMMPIXPASA-N	517.648	2.996	0	40	KFAB	
COc1ccc(CCNC(=O)[C@H](C)N(Cc2ccc(OC)cc2)C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	222933707	ARKOCRBZEHIPOH-DEOSSOPVSA-N	625.744	2.880	0	40	KFAB	
COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)[C@@H](C)C(=O)NCCO)cc1	222940178	OUCYYLGWTFDMMH-IBGZPJMESA-N	559.616	2.540	0	40	KFAB	
C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1F)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	224688906	PIGMLHWEWWFZLB-KRWDZBQOSA-N	519.595	2.797	0	40	KFAB	
CN(CC1(O)CCN(c2ccnc3ccncc23)CC1)C(=O)c1ccc(OCCN2CCCC2=O)cc1	257294866	QWAPSKDYYHMCHI-UHFFFAOYSA-N	503.603	2.735	0	40	KFAB	
CS(=O)(=O)N(CC(=O)N1CCN(C/C=C/c2ccccc2)CC1)c1ccc(I)cc1	408623555	RXKAXPYNKFJKNJ-VMPITWQZSA-N	539.439	2.915	0	40	KFAB	
O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1	408694902	NTZKHFDRPYQWOB-UHFFFAOYSA-N	509.625	2.791	0	40	KFAB	
CCN(CC)S(=O)(=O)c1ccc(NC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1	408702752	CRXGORNWQFXTDE-UHFFFAOYSA-N	511.622	2.631	0	40	KFAB	
CS(=O)(=O)N(CCCC(=O)Nc1ccccc1C(=O)NCc1cccnc1)c1ccc2c(c1)OCO2	408704014	IJVFUXQKDBYAAH-UHFFFAOYSA-N	510.572	2.925	0	40	KFAB	
O=C(O)CNC(=O)[C@@H](Cc1cc(I)c(O)c(I)c1)NC(=O)OCc1ccccc1	408737037	LCEGYXXTBFONOP-OAHLLOKOSA-N	624.169	2.640	0	40	KFAB	
COc1ccc(CCCNC(=O)[C@@H]2CC(=O)NC(C)(C)C(=O)N[C@H](Cc3ccccc3)COc3ccccc3C(=O)N2)cc1OC	643568295	WDWFTKKTLCXHAL-VPUSJEBWSA-N	630.742	2.956	0	40	KFAB	
CC(=O)N(CN1C(=O)c2ccccc2C1=O)c1ccc(N(CN2C(=O)c3ccccc3C2=O)C(C)=O)cc1	6073638	NPUSLPOHMFSZTR-UHFFFAOYSA-N	510.506	2.900	0	40	KFAB	
COCCn1nnnc1[C@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)N1CCN(c2cc(C)ccc2C)CC1	20084120	GZSKRRLEOQXCSY-SANMLTNESA-N	533.633	2.707	0	40	KFAB	
COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(-n3cnnn3)c(OC)c2)cc1OC	100335698	VUQCPGPFURAGCG-SMSORMJASA-N	627.662	2.503	0	40	KFAB	
Cc1c2c(=O)n(-c3nc4ccccc4s3)n(CC(=O)Nc3ccc(F)cc3)c2cc(=O)n1N1CCOCC1	101378136	VDDGWTFXQXTNNX-UHFFFAOYSA-N	534.573	2.618	0	40	KFAB	
Cc1ccc(-n2nnnc2SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)c(C)c1	103124643	GSMNUZJRDAURFO-UHFFFAOYSA-N	557.702	2.631	0	40	KFAB	
CO[C@H]1[C@H](O)[C@H](C)O[C@@H](O[C@@H]2CC[C@@]3(C)[C@H](C[C@@H]4O[C@]45[C@@H]3CC[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@]35O)C2)[C@@H]1OC(C)=O	123346571	BTRWTSHCXGFFFL-HOGMZAQBSA-N	590.710	2.812	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1	216282887	KNHAOEBLHFQHFL-UHFFFAOYSA-N	616.556	2.659	0	40	KFAB	
COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(CS(=O)(=O)N4CCOCC4)cc3)cc2)c1	216291233	UAPQLZFNPLMOQB-UHFFFAOYSA-N	575.665	2.919	0	40	KFAB	
CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)Oc2ccc(Cl)cc21	216487901	ANFFDUKDJPCGED-IBGZPJMESA-N	522.992	2.702	0	40	KFAB	
COC(=O)CSc1nnc(NC(=O)CCCN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)s1	223117592	ANGKKFIUCGZFDW-UHFFFAOYSA-N	509.031	2.650	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C	223451764	OQBODVQIKPFMHO-FQEVSTJZSA-N	504.653	2.642	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	223501353	PFSMOSKKSHMCKY-FQEVSTJZSA-N	547.674	2.956	0	40	KFAB	
CC(C)CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	224299897	KEDZGIOPLUFDGD-SFHVURJKSA-N	521.611	2.552	0	40	KFAB	
CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	225713192	PXRGILDNALHXRB-JOCHJYFZSA-N	517.648	2.946	0	40	KFAB	
CC(C)Oc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NCCCN3CCOCC3)CC2=O)cc1	408578249	KNBUMHMSEVGGMH-OAQYLSRUSA-N	508.619	2.918	0	40	KFAB	
COC(=O)c1cc(NC(=O)COc2ccc(S(=O)(=O)NCCc3ccc(OC)c(OC)c3)cc2)cc(C(=O)OC)c1	408584298	NXGUYFNCKKVLDW-UHFFFAOYSA-N	586.619	2.816	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C)c4ccc(Br)cc43)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	409122572	ZSVDMTDOGYUYID-RKKARLDVSA-N	598.475	2.925	0	40	KFAB	
Cc1nn(CCNC(=O)[C@@H]2CC(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)CC(=O)N[C@H](Cc3ccccc3)COc3ccccc3C(=O)N2)c(C)c1C	643574754	OMFIFDYWODKDJO-GHPAMLPFSA-N	701.869	2.565	0	40	KFAB	
CCOC(=O)CSc1nc2cc3c(cc2c(=O)n1CCCC(=O)NCc1ccc2c(c1)OCO2)OCO3	2975621	VHWCXKDNFXZPBT-UHFFFAOYSA-N	527.555	2.606	0	40	KFAB	
CC(C)[C@@]1(NC(=O)[C@@H]2C=C3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O	53282743	HEFIYUQVAZFDEE-MKTPKCENSA-N	609.727	2.627	0	40	KFAB	in-vitro
COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2OC)cc1OC	100309786	FMLXQDGYFQAMPN-HJPURHCSSA-N	569.640	2.533	0	40	KFAB	
COc1cc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@H]2CCCO2)c2sccc2C)ccc1-n1cnnn1	100335982	ABINLCOHWBJPMP-FQRUVTKNSA-N	587.666	2.855	0	40	KFAB	
COCCNC(=O)CSc1nc2cc3c(cc2c(=O)n1Cc1ccc(C(=O)N2CCN(c4ccccc4)CC2)cc1)OCO3	102755923	DFDCCNQTUGAAMW-UHFFFAOYSA-N	615.712	2.991	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@H](SCCOc2ccc(Br)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	102809753	ZDUHEZBXPHVNCZ-ZSYZGHEHSA-N	563.419	2.644	0	40	KFAB	biogenic
COc1ccc([C@@H](c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1	102908504	IQJVVOGGOMXGPY-NDEPHWFRSA-N	589.718	2.590	0	40	KFAB	
O=C1C[C@H](N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)C(=O)N1c1ccc(F)cc1F	102988042	CVPUIQBLICINJZ-SFHVURJKSA-N	503.449	2.622	0	40	KFAB	
Cc1ccc(NC(=O)COC(=O)c2ccccc2NC(=O)c2ccco2)cc1S(=O)(=O)N1CCOCC1	103087230	NDXLVXXBYVOKSS-UHFFFAOYSA-N	527.555	2.657	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O	222605728	AGXVZKWINRPUDR-CQSZACIVSA-N	500.390	2.518	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O	223495274	BTRXGXCVNVAPJJ-IBGZPJMESA-N	517.648	2.997	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O	224995444	KYIRGOOSUFRTDN-GOSISDBHSA-N	503.621	2.607	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C	225461550	HNQXIADVIGWZAF-GOSISDBHSA-N	539.496	2.842	0	40	KFAB	
COc1ccc(OC)c(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1	408690789	WRODIVHKURHZGL-DRYSZXNESA-N	504.539	2.604	0	40	KFAB	
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(CN(C)S(C)(=O)=O)cc3)cc2)cc1	408705288	BLGYNNAGELPGMM-UHFFFAOYSA-N	533.628	2.905	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCC(=O)O)c(OC)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	408825926	BKJCDNHWAFETRZ-JSLUTMEDSA-N	678.457	2.604	0	40	KFAB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)cc(OC)c3O[C@H](C)C(=O)OC)C2=O)o1	409398496	BJWLRJDJOBOALU-SHLUWWQESA-N	537.319	2.871	0	40	KFAB	
O=C(c1ccccc1F)N1CCCCC2(CCN(Cc3ccccn3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1	643580682	LFOLTHUGRIAMOE-LOSJGSFVSA-N	513.610	2.784	0	40	KFAB	
O=C1[C@H]2[C@@H](C(=O)N1C[C@H]1CCCO1)[C@H](Cc1c[nH]c3ccccc13)N[C@@]21C(=O)Nc2c(Cl)cccc21	13591689	QKLUCXMJAOUBOR-ZCCCYRDXSA-N	504.974	2.963	0	40	KFAB	
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3ccc(COc4ccccc4Br)o3)[C@@H]2SC1	29749445	XGQUHFGRNNBLDJ-UTKZUKDTSA-N	551.371	2.536	0	40	KFAB	
CS(=O)(=O)c1ccc([C@@H](O)CN(CCc2cccs2)C[C@H](O)c2ccc(S(C)(=O)=O)cc2)cc1	62587347	XJHYTBYURNZUNN-ZEQRLZLVSA-N	523.698	2.867	0	40	KFAB	
COc1cccc(-c2nn3c(=O)cc(CN4CCN(S(=O)(=O)c5ccc(F)c(F)c5)CC4)nc3s2)c1	102350428	XINYXJLJOSSCGU-UHFFFAOYSA-N	533.582	2.611	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O	140066530	DJKOQJBRRYGDGO-UHFFFAOYSA-N	546.465	2.647	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	222531242	GSPXTIMJWGZNQQ-VWLOTQADSA-N	544.624	2.964	0	40	KFAB	
COCCNS(=O)(=O)c1ccc(OCC(=O)N2CCc3cc(Br)ccc32)c(Cl)c1	222834260	XYDZYRIUHJVFJD-UHFFFAOYSA-N	503.802	2.995	0	40	KFAB	
CC(C)OCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(C)S(C)(=O)=O	223187474	MNENFGCRRUCXPM-XMMPIXPASA-N	521.655	2.588	0	40	KFAB	
CC[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O	224316251	UIGDQWYNYREBPN-JOCHJYFZSA-N	544.095	2.864	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CCOCC2)c2cccc(Br)c2)cc1	408615502	BBSZEFLMCYLMLJ-UHFFFAOYSA-N	510.454	2.791	0	40	KFAB	
COc1ccc(-c2nnc(CN(C)C(=O)CN(C)S(=O)(=O)c3ccc(Br)cc3)o2)cc1OC	408714329	OLHWETKRFNYVMK-UHFFFAOYSA-N	539.408	2.795	0	40	KFAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(=O)O)cc3)c(=O)n2[C@H]1c1ccccc1OC	409120259	UVKWEQLJDHYRTD-QFVBLGFASA-N	505.596	2.810	0	40	KFAB	
Cc1cc(I)cc(C)c1NC(=O)CSc1nnc(CN2CCOCC2)n1C	409198313	CGQYXLALKRATCB-UHFFFAOYSA-N	501.394	2.600	0	40	KFAB	
C[C@@H]1[C@H]2C3=CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6O[C@H](C)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@@H]6O)C(C)(C)[C@@H]5CC[C@]4(C)[C@]3(C(=O)O)CC[C@@]2(C(=O)O)CC[C@H]1C	514287822	IIIOQVDDEWZCEQ-PNZNFQNBSA-N	794.976	2.830	0	40	KFAB	biogenic,in-vitro
Cn1cnnc1[C@H]1CCCN(C(=O)CN2CCC3(CCCCc4ccccc4OCCNC3=O)CC2)C1	643558433	LGUHLZBUBRHHJB-QHCPKHFHSA-N	508.667	2.525	0	40	KFAB	
CCOC(=O)c1nn(-c2ccc(C)cc2)c(C)c1C(=O)C1=NO[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12	3849252	HOJHGRUIQMKDNI-CVDCTZTESA-N	504.474	2.932	0	40	KFAB	biogenic
COc1ccc([C@@H](C(=O)NC(C)(C)C)N(Cc2ccco2)C(=O)c2snc(C(N)=O)c2N)cc1OC	6074831	JXVJSPNUKOLYST-IBGZPJMESA-N	515.592	2.733	0	40	KFAB	
CCSc1nnc(NC(=O)CSc2nnc(CNC(=O)c3cc(OC)c(OC)c(OC)c3)o2)s1	8684468	NZZFBEFUPXKQBG-UHFFFAOYSA-N	526.622	2.720	0	40	KFAB	
CCOC(=O)N1CCN(C(=O)c2c(F)c(F)c3c(c2F)N(C2CCCCC2)CCS3(=O)=O)CC1	12324381	ZDLBBSYEAXRUIL-UHFFFAOYSA-N	503.543	2.945	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O	12625702	SUBKATKKUAMZHH-AREMUKBSSA-N	526.615	2.592	0	40	KFAB	
COCCN1C(=O)c2cccc(N3CCN(C(=O)Cc4c(C)nn(-c5ccccc5)c4C)CC3)c2C1=O	14988741	MAARFDKEQHLVIO-UHFFFAOYSA-N	501.587	2.623	0	40	KFAB	
COc1ccc(CCNC(=O)COC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)cc1OC	15980815	TWJHMSMBQYVMEL-RTBURBONSA-N	518.632	2.886	0	40	KFAB	
COc1ccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4ccccc4OC)CC3)c(=O)[nH]c2c1	19940443	FISFPXIUHLKKTA-LVXARBLLSA-N	531.617	2.622	0	40	KFAB	
CCOc1cccc2s/c(=N\C(=O)c3ccc(S(=O)(=O)N(CCOC)CCOC)cc3)n(C)c12	100820406	IUDXNYHJUJMWKL-VHXPQNKSSA-N	507.634	2.663	0	40	KFAB	
CC(C)CC[C@H](NS(=O)(=O)c1cc(I)c(N)c(I)c1)C(=O)O	104344822	WCQWZIXJMLYYQN-NSHDSACASA-N	552.172	2.646	0	40	KFAB	
O=C(Nc1nc(=O)c2ncn([C@H]3O[C@@H](COC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@H]3O)c2[nH]1)c1ccccc1	104852173	HIJNYMIHLOJOED-JTHZHXAOSA-N	595.568	2.713	0	40	KFAB	
C[C@H](CCc1ccccc1)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	150386574	ZUBIZHLVPXTGGA-HHHXNRCGSA-N	713.879	2.629	0	40	KFAB	
C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	223739417	HQCPJEUGQYSHEG-GOSISDBHSA-N	501.605	2.657	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	224004243	LZPKIPNAMBAKMH-LJQANCHMSA-N	533.647	2.566	0	40	KFAB	
COc1cc(-c2nc(O)c3ccccc3n2)ccc1Oc1nc(N2CCOCC2)nc(N2CCOCC2)n1	409253649	UYWPDYZVABKVLO-UHFFFAOYSA-N	517.546	2.662	0	40	KFAB	
CC(=O)N(C)CCC[C@H]1C(=O)N(C)CCCCN(C(=O)CCc2ccnn2C)CCCOc2ccccc2C(=O)N1C	643560356	REXHCMPJAVBXGA-MHZLTWQESA-N	582.746	2.602	0	40	KFAB	
CC(C)C[C@@H]1NC(=O)CC[C@@H](C(=O)NCCCc2ccccc2)NC(=O)c2ccccc2OCCN(C)C1=O	643569079	KVMLKQLEGYHPBF-DQEYMECFSA-N	536.673	2.696	0	40	KFAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCCc2nc(C)cs2)CC(=O)N(Cc2ccccc2)CC1=O	643570854	UEEWGJHHNBWIPP-VWLOTQADSA-N	591.734	2.959	0	40	KFAB	
O=C1NC2(CCOc3cc(-c4ccc(F)cc4F)ccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(CC1CC1)CC2	1548891174	YJIFLYULJMAJFP-QPPBQGQZSA-N	561.651	2.899	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(c3ccc4c(c3)OCCO4)[C@H](C)C(=O)NC3CCCCC3)n2)cc1	886358	XPXHEQTVHHXPJJ-GOSISDBHSA-N	520.590	2.991	0	40	KFAB	
CCOC(=O)Cn1nnnc1CN(Cc1ccc(OC)cc1)Cc1cc2cc(OCC)ccc2[nH]c1=O	928107	LNXANMHVFMFHGJ-UHFFFAOYSA-N	506.563	2.687	0	40	KFAB	
CCN(C(=O)COC(=O)c1c2c(nc3ccccc13)CCCC2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	32666473	WPZSGKLDMFHFFB-UHFFFAOYSA-N	527.581	2.804	0	40	KFAB	
O=C(COC(=O)[C@@H](CCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccccc1	100557644	DEBNVJCUUFJKGP-JJSIVNERSA-N	556.615	2.566	0	40	KFAB	
CCOC(=O)CN1C(=O)S/C(=C/c2cc(I)c(OCC(=O)O)c(OCC)c2)C1=O	205705073	QFWHHUHLEFUYNK-NTUHNPAUSA-N	535.312	2.753	0	40	KFAB	
COC(=O)[C@H]1CN(C(=O)COc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)c2ccccc2O1	222719412	HOEWBWXPWSRMHB-XMMPIXPASA-N	508.552	2.784	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	223073247	OFKOBIINSQOBHA-IBGZPJMESA-N	503.621	2.823	0	40	KFAB	
O=S(=O)(Cc1ccc(Br)cc1)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1	224311158	ZVKZZYPOCKAGHV-UHFFFAOYSA-N	503.440	2.732	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1	224466191	UCRGTDOIBZJWLY-AREMUKBSSA-N	622.121	2.512	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1OC	408987747	QZUPPZYODIISFR-NWKGEQBZSA-N	540.594	2.538	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OCCN3CCCCC3)cc2)C[C@](O)(COc2ccc(C)cc2)C1	585279732	GEKNQMZPRAAHRU-SSEXGKCCSA-N	525.690	2.960	0	40	KFAB	
CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C([O])=C(Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21	1560411836	NSAWDAMBNGTEJG-ZVKKFESPSA-N	580.665	2.695	0	40	KFAB	
COCCNC(=O)[C@H](c1ccc2ncccc2c1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1OC	6136227	UILREMBJGHLTDD-QFIPXVFZSA-N	534.598	2.532	0	40	KFAB	
COc1ccc(-n2nc(C(=O)N3CCCC3)/c(=N/C(=O)c3nnn(-c4ccc(F)cc4)c3C)s2)cc1	8770522	RUUQCQPXHPDHKC-RWEWTDSWSA-N	507.551	2.948	0	40	KFAB	
COCCn1c(SCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)nnc1-c1cccc(C)c1	12540763	PISXFHLAVJYOTQ-UHFFFAOYSA-N	529.688	2.834	0	40	KFAB	
CCCCn1c(N)c(N(CC(C)C)C(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)c(=O)[nH]c1=O	12871741	YQXHJMBJOSESTO-UHFFFAOYSA-N	519.668	2.642	0	40	KFAB	
O=c1[nH]c(C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)nc2c1nnn2Cc1c(F)cccc1Cl	38145984	YVXSZIAAMMFAEN-UHFFFAOYSA-N	560.995	2.695	0	40	KFAB	
O=C(O)Cn1cc([C@H](C(=O)O)N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2ccc(Br)cc21	100792767	BNDXYQPZYYJTGI-FBJOKTGGSA-N	500.349	2.895	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1	224320008	KJPDEYRNCTXMFE-UHFFFAOYSA-N	614.584	2.971	0	40	KFAB	
CC[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)N(c1ccccc1F)S(C)(=O)=O	224410042	NRGYPHOBIQRLMM-JOCHJYFZSA-N	541.667	2.740	0	40	KFAB	
COc1ccccc1[C@@H]1c2sc(=O)[nH]c2S[C@@H]2[C@H]3C[C@@H]([C@@H]4C(=O)N(CCCC(=O)O)C(=O)[C@H]43)[C@H]12	245229433	XVVGVKNGWMLMJP-AANBCNRASA-N	500.598	2.783	0	40	KFAB	
CS(=O)(=O)c1ccc(CN2CCN3C(=O)c4ccc(-c5ccccc5)cc4OCC[C@@H]4CC[C@H](O)[C@@H](CNC(=O)[C@@H]3C2)O4)cc1	253407375	WDXMMSBAOTVMDU-QYEAGPHUSA-N	633.767	2.891	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O	261040258	YNJJQJKIBYNNTJ-MOPGFXCFSA-N	505.637	2.802	0	40	KFAB	
CCOc1cc(C(=S)N2CCCC2)cc(I)c1OCC(=O)N1CCOCC1	409266702	QVQNCTKEJGHRNY-UHFFFAOYSA-N	504.390	2.699	0	40	KFAB	
CC(C)[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCCCN2CCCC2)CCC(=O)NC2(CCCCC2)C(=O)N1	643572375	VYQTYZYDWQWAOI-UIOOFZCWSA-N	583.774	2.910	0	40	KFAB	
CCOC(=O)Cn1nnnc1CN(CCc1ccc(OC)c(OC)c1)Cc1cc2cc(OCC)ccc2[nH]c1=O	928125	VCIQDWOQRICKII-UHFFFAOYSA-N	550.616	2.739	0	40	KFAB	
Cn1c(N)c(C(=O)COC(=O)c2cccc(S(=O)(=O)N(Cc3ccccc3)c3ccc(Cl)cc3)c2)c(=O)n(C)c1=O	3323956	FYYQULKDVRZEBN-UHFFFAOYSA-N	597.049	2.755	0	40	KFAB	
COC(=O)c1ccc(-c2csc(NC(=O)c3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)n2)cc1	13014564	DBKNKXPEMBGWRZ-UHFFFAOYSA-N	517.585	2.879	0	40	KFAB	
COc1ccc(Cl)cc1C(=O)OCC(=O)N1CCN(C(=O)COC(=O)c2cc(Cl)ccc2OC)CC1	103130527	IPCIXEAVGUUZKX-UHFFFAOYSA-N	539.368	2.695	0	40	KFAB	
O=C(COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)NCCSc1ncn[nH]1	222725696	XAZUAIVPIDGXBE-UHFFFAOYSA-N	512.411	2.655	0	40	KFAB	
CCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O	224576933	SBBIJXXWYFLWGZ-HSZRJFAPSA-N	503.621	2.607	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	224986686	PULMNDWUTZEQPT-RTBURBONSA-N	505.637	2.802	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	260863299	BQPMTSKKZYWRAE-OALUTQOASA-N	505.637	2.802	0	40	KFAB	
O=C(COc1ccc(N2C[C@@H](C(=O)NCCCN3CCOCC3)CC2=O)cc1)Nc1ccc(Br)cc1	408574163	CRAPJVJEHZVBKW-IBGZPJMESA-N	559.461	2.658	0	40	KFAB	
COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)NCCS(=O)(=O)N(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2	524729457	URVRHXCYEZFNDM-DEOSSOPVSA-N	632.780	2.843	0	40	KFAB	biogenic
CC(C)(C)CC(=O)N1CC(=O)N2CC[C@@H](CC(=O)N3CCN(C=O)CC3)[C@@H](C=CCOc3ccccc3C1)C2	958317856	UDFBOVBWRIMUPO-ZEQRLZLVSA-N	538.689	2.555	0	40	KFAB	
COc1ccc2nc(C(F)(F)F)nc(N3CCNC(=O)CCN(C(=O)c4ccc(F)nc4)CC3)c2c1	1615605955	PRHHXSHFSHTDMQ-UHFFFAOYSA-N	506.460	2.660	0	40	KFAB	
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C(N)=O)CC(C)(C)NC4(C)C)cc2)CC1	4177869	FLQYXSJREWKIED-UHFFFAOYSA-N	577.729	2.722	0	40	KFAB	
C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1Cc1sc(NC(=O)c3ccco3)nc1[C@H]2CC(=O)N1CCC(C(N)=O)CC1	4222435	QPQQPBFRFOBNLQ-VKYDXFIESA-N	544.674	2.518	0	40	KFAB	biogenic,in-vitro
CCOC(=O)C1CCN(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2ccc(OCC)cc2)C3=O)CC1	13136186	QRJIWZHLCPUJOW-UHFFFAOYSA-N	508.527	2.844	0	40	KFAB	
CCCCn1c(N)c(N(CCOC)C(=O)c2ccc3c(c2)C(=O)N(c2ccccc2Cl)C3=O)c(=O)[nH]c1=O	72136706	KNUBAJUDWPDTTH-UHFFFAOYSA-N	539.976	2.666	0	40	KFAB	
CCOC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3CC)cc2)sc2cc(S(N)(=O)=O)ccc21	100877695	LYUUFGAPZKZPOH-VEWKBMDPSA-N	594.737	2.608	0	40	KFAB	
NS(=O)(=O)c1ccc(NC(=O)[C@H]2Sc3[nH]c(=O)sc3[C@@H]3c4cc(Br)ccc4OC(=O)[C@@H]23)cc1	100912556	GVXFLXRNUUZJOC-KFWWJZLASA-N	568.452	2.626	0	40	KFAB	
COc1ccc(CCNC(=O)[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C(C)C)cc1OC	102743019	BOFASFQAHTYTIV-AREMUKBSSA-N	545.702	2.913	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2	222804123	VXENCRLWPORTQE-LJQANCHMSA-N	571.627	2.964	0	40	KFAB	
COc1ccc(N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c(OC)c1	224495013	SXBNASYWUWEKJI-FQEVSTJZSA-N	519.664	2.702	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	260991378	QDEIUSBTTZHDLZ-OALUTQOASA-N	533.647	2.564	0	40	KFAB	
COc1ccc(NC(=O)COC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(OC)c1	408691323	ZHOMBEWKOYAPBZ-KXAAMDFLSA-N	504.539	2.604	0	40	KFAB	
COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc4c(c3)n(C)c(=O)n4C)C2=O)ccc1Cl	409173777	JZZYBFSLZHHKMB-GIJQJNRQSA-N	514.947	2.992	0	40	KFAB	
C/C=C/C=C/C=C/C(=O)O[C@@H]1[C@H](O)C2=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)C2=O)[C@]2(C)CCCC(C)(C)[C@@H]12	1772591752	NXFORTNJXMYGOQ-CJOPTHLDSA-N	529.586	2.777	0	40	KFAB	
COc1ccc([C@H]2C(c3ccc(S(=O)(=O)N(C)C)cc3)=C(O)C(=O)N2CCCN2CCOCC2)cc1	1105820	HITLVGXMYNQBMA-DEOSSOPVSA-N	515.632	2.520	0	40	KFAB	
COc1cc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4c(C)nn(C)c4C)c(=O)n32)ccc1O	2785487	WVPGHIKBLSGEBQ-CBYYHRJHSA-N	529.622	2.938	0	40	KFAB	
CC(C)[C@H](OC(=O)Cc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)C(=O)NC(N)=O	6144759	MSJQSRLXWORBPZ-SFHVURJKSA-N	501.483	2.811	0	40	KFAB	
CN1CCC(C(=O)Nc2ccc(N3CCOCC3)cc2)(N(C(=O)CN2C[C@H](c3ccccc3)NC2=S)C2CC2)CC1	8695944	SEMOPPAVELTVFS-HHHXNRCGSA-N	576.767	2.849	0	40	KFAB	
COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(C)cc2)c1	12706227	MHJVWYBKLHGAAD-SIKLNZKXSA-N	523.615	2.825	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CCN(C)CC2)c2ccc(Br)cc2)cc1	22829523	OYVVDTHHNDCJNY-UHFFFAOYSA-N	523.497	2.707	0	40	KFAB	
COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)cc1OC	100284303	AAOMFALLFWYTAS-VGOFRKELSA-N	557.604	2.664	0	40	KFAB	
Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)N1C[C@H](C(=O)NCc2ccccc2)Oc2ccccc21	222814780	XMOREEUGUUJQIM-RUZDIDTESA-N	523.611	2.735	0	40	KFAB	
CC[C@@H](C(=O)Nc1nnc(SCC(=O)OC)s1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O	223694520	NUHRFWGVPXGEML-LBPRGKRZSA-N	509.031	2.649	0	40	KFAB	
COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(CC(=O)N4CCCC4)cc3)C2)c1	260749475	VPKGJPVUHLWETA-FQEVSTJZSA-N	515.632	2.908	0	40	KFAB	
COC(=O)COc1c(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)cccc1OC	408536447	ZNXWDNOPJOSTJH-VXLYETTFSA-N	514.512	2.693	0	40	KFAB	
O=C(C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1)O[C@@H]1C[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]1O	504010046	LPTYJDZEBFATMR-SKFHHYRKSA-N	595.620	2.533	0	40	KFAB	
C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCO5)c(C(F)(F)F)oc3c2)[C@H](O)[C@H](O)[C@H]1O	607738419	XDLBSNLAIQNWON-CATORSGKSA-N	697.612	2.893	0	40	KFAB	
COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1c(O)[nH]c(=O)n(-c2ccc(I)cc2)c1=O	2128847	QHNXHVXFYWIWDC-LJQANCHMSA-N	530.322	2.561	0	40	KFAB	biogenic
NC(=O)c1nsc(C(=O)N(Cc2cccnc2)[C@@H](C(=O)NCc2ccc(F)cc2)c2ccc(O)cc2)c1N	6445136	ZBUFKIPJMMZHBH-JOCHJYFZSA-N	534.573	2.764	0	40	KFAB	
CCOc1cc(C(=O)OCC(=O)c2cc(C)n(C[C@H]3CCCO3)c2C)ccc1OCC(=O)N1CCOCC1	13144134	JVTGAIVJLYJHAS-JOCHJYFZSA-N	528.602	2.960	0	40	KFAB	
O=c1[nH]c2cc3c(cc2cc1CN(CCCN1CCOCC1)C(=S)NCCc1ccccc1)OCO3	19940497	VJWCZRORFWZZDH-UHFFFAOYSA-N	508.644	2.898	0	40	KFAB	
COCCn1nnnc1[C@@H](c1cc2c(C)ccc(C)c2[nH]c1=O)N1CCN(Cc2cccc(OC)c2)CC1	20083406	MSEVZUDTJNKHNT-AREMUKBSSA-N	517.634	2.694	0	40	KFAB	
COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)ccc2N2CCOCC2)cc1	66079432	XRGNJBQVDAGFPA-UHFFFAOYSA-N	574.681	2.835	0	40	KFAB	
COc1ccc(-c2oc3c4c(cc(O)c3c(=O)c2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)OC(C)(C)C=C4)cc1	95909321	HFACBAJBHOSYOZ-GULSFEPBSA-N	512.511	2.565	0	40	KFAB	biogenic,in-vitro
COC(=O)c1cc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccc(Cl)cc4)[nH]c(=O)c32)cc(C(=O)OC)c1	102356007	TZYMQLREQNTSEC-MRXNPFEDSA-N	525.905	2.805	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1	216416505	RJTYWAQTGTYIPC-UHFFFAOYSA-N	507.634	2.658	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)c1	223036364	PBLVOPCCWTUENR-SFHVURJKSA-N	505.637	2.802	0	40	KFAB	
Cc1ccc(CN(C(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C)cc1	260865758	CQRGOZNKANAJKT-LJQANCHMSA-N	503.621	2.679	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccc(Cl)cc43)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	409119901	RJWDUBIYSDAXPU-LCPUNJGISA-N	523.954	2.503	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@@H](n2c(=S)n(-c3ccccc3)c(=O)c3ccccc32)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	5732252	BZILQTWEGVOAIP-LRDHLHFSSA-N	584.603	2.777	0	40	KFAB	
CCOC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C	6546882	VKJPEHXWQZILKR-WMZHIEFXSA-N	527.618	2.885	0	40	KFAB	
Cc1cccc(C(=O)N[C@H](C(=O)N2CCN(C(=O)c3ccccc3)CC2)S(=O)(=O)c2ccccc2)c1	9764184	HWRCUFVDZJSDBD-VWLOTQADSA-N	505.596	2.509	0	40	KFAB	
O=C(NCCCN1CCCC1=O)c1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1Cl	12537877	FQJDMXYELNUQAQ-UHFFFAOYSA-N	505.040	2.593	0	40	KFAB	
COc1cccc(CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C(=O)NC[C@@H]2CCCO2)c2cccc(OC)c2)c1	33356895	ZBJYOHYPZBHRRD-ABYGYWHVSA-N	607.685	2.914	0	40	KFAB	
NS(=O)(=O)c1ccc(NC(=O)CCn2c3c(sc2=O)[C@H]2c4ccccc4OC[C@H]2CS3)cc1	36633794	UTVFJEAMEYLSFM-ORAYPTAESA-N	503.627	2.832	0	40	KFAB	
C[C@H]1CC[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)CN([C@@H](CCCNC(=N)N)C(=O)O)C3=O	77257301	FVWRHZWMISXFKU-UXCRRCDISA-N	542.677	2.971	0	40	KFAB	biogenic,in-vitro
COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H]2CN(S(=O)(=O)Cc3ccccc3)c3ccccc3O2)c1	100091264	MJYOVMNYJBYPOI-HSZRJFAPSA-N	524.551	2.996	0	40	KFAB	
CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](Cc2cc(Br)c(O)c(Br)c2)C(=O)O)cc1	101461906	YUSSFDQLCBQVFD-HNNXBMFYSA-N	536.198	2.850	0	40	KFAB	
CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(OC)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	222527926	JPJAFPHDQROPCG-UTKZUKDTSA-N	501.605	2.562	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1cccc(OC)c1)[C@H](Cc1ccccc1)C(=O)NC)c1ccc2c(c1)OCO2	260752054	FBQNKQDHMXBSEU-RUZDIDTESA-N	567.664	2.966	0	40	KFAB	
COC(=O)c1cc(NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2Cl)cc(C(=O)OC)c1	408585514	YWYRYOKNNJQDBP-UHFFFAOYSA-N	510.952	2.715	0	40	KFAB	
COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OCC(N)=O)c(OC)c4)c(=O)n32)c(OC)c1	408978890	OGEIFKGJFXHWCV-ZKEKZPBLSA-N	614.680	2.764	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OC(C)=O)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409042139	WFKAUPKATNHOCO-JYXZFHPPSA-N	594.642	2.674	0	40	KFAB	
O=C(O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(N([C@H]3CS(=O)(=O)C[C@H]3O)S(=O)(=O)c3cc(C(=O)O)ccc3Cl)cc2)c1	575425960	JSDSQQZZZBMBDX-VQTJNVASSA-N	679.534	2.544	0	40	KFAB	
CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCC(C)(C)c2ccc(F)cc2)CC(=O)N[C@@H](Cc2ccc(O)cc2)C1=O	643567809	XHPZCIWUGXUNFD-SVBPBHIXSA-N	604.679	2.692	0	40	KFAB	
COc1ccc2c(ccn2CCNC(=O)[C@H](NC(=O)N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)C(C)C)c1	1547192315	COWJGRZBLKVRGD-HEKZAOSPSA-N	505.619	2.781	0	40	KFAB	
COc1ccc(CNC(=O)[C@H]2Cn3ccnc3C3(CCN(S(=O)(=O)c4sccc4C)CC3)O2)cc1	2055793499	KYNYRFGXRFBIJM-HXUWFJFHSA-N	516.645	2.657	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)o3)c(=O)n2[C@@H]1c1ccc(OCC)cc1	669422	DOVWSTJUAWABGU-OFVJEAJMSA-N	523.611	2.627	0	40	KFAB	
COc1ccc(N2C(=O)NC(=O)[C@](Cc3cccs3)(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)C2=O)cc1	2156147	XBJYDSQMRDDDCT-DIBPYXDISA-N	532.622	2.850	0	40	KFAB	biogenic
COC[C@@H](C)n1c(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)nc2ccccc2c1=O	3453436	BRJLIOTVDIVNDI-MSOLQXFVSA-N	546.671	2.744	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCC(=O)O)c3)c(=O)n2[C@H]1c1ccccc1OCC	8452221	QNNGQXXTHAOMND-ZBXXMNEPSA-N	522.579	2.660	0	40	KFAB	
CC(=O)OC[C@H]1O[C@@H](Sc2ccccc2)[C@H](N[C@H](O)C(Cl)(Cl)Cl)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	8497602	KOGJCNZKPPVDLZ-VEAXJEOVSA-N	544.837	2.577	0	40	KFAB	
CCn1/c(=N/N=c2/sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21	17781867	ZTOJFFHGPLIVKC-YAFCTCPESA-N	514.632	2.669	0	40	KFAB	in-vitro
CN1C(=O)N(C)C(=O)C(Cc2c(Cl)cccc2Cl)(CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)C1=O	20112949	HSWLJIAFHIOTFA-JKSUJKDBSA-N	517.413	2.854	0	40	KFAB	biogenic
O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1	20460965	MDBGSQDPDUBTMK-UHFFFAOYSA-N	515.613	2.902	0	40	KFAB	
CCn1c(SCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)nnc1-c1ccncc1	32911171	IKIZIBALEBIXIO-UHFFFAOYSA-N	523.040	2.765	0	40	KFAB	
COc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)S(C)(=O)=O	59924752	LXJJEKVZYRXCKH-CQSZACIVSA-N	540.023	2.733	0	40	KFAB	
COc1ccc(CNC(=O)CCCn2c(SCC(=O)NC[C@@H]3CCCO3)nc3cc4c(cc3c2=O)OCO4)cc1	102755531	WKZMLHDVEAKWGX-FQEVSTJZSA-N	568.652	2.618	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O	222848082	UIUWFMVQZDEYJG-AWEZNQCLSA-N	502.420	2.931	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	222855368	VQBGRGAUPJMUFX-AREMUKBSSA-N	569.680	2.865	0	40	KFAB	
COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)[C@@H](C)C(=O)NCCN2CCOCC2)cc1	222943658	BVEIAMLNOVZLKX-QHCPKHFHSA-N	628.723	2.880	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCC2)cc1	224056958	KTJLDGNUCSEFED-IBGZPJMESA-N	547.674	2.955	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2cccc(C(C)=O)c2)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)C)cc1	225674842	TUNQKGBNGVBURK-SFHVURJKSA-N	503.621	2.606	0	40	KFAB	
CN(CC1(O)CCN(c2ccnc3cccnc23)CC1)C(=O)c1ccc(OCCN2CCCC2=O)cc1	257210916	BWRCVASCZVPPJZ-UHFFFAOYSA-N	503.603	2.735	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(CCc1ccccc1)[C@H](C)C(=O)NC(C)C)c1ccc2c(c1)OCCO2	260747565	OMCMMPHAUCZQRQ-HXUWFJFHSA-N	517.648	2.598	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	260991368	QCNWHZBHXBWVMM-OALUTQOASA-N	503.621	2.822	0	40	KFAB	
COc1cc([C@H](CC(=O)N[C@H](Cc2ccccc2)c2nc(O)n[nH]2)c2oc(C)cc(=O)c2O)ccc1O	524730227	AEDCBYLKSKHNKP-ZWKOTPCHSA-N	506.515	2.814	0	40	KFAB	biogenic
CN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCOc2ccc(Cl)cc2)CCC(=O)N[C@@H](Cc2ccccc2)C1=O	643569205	MYSQFHGSYICXNH-SVBPBHIXSA-N	607.107	2.992	0	40	KFAB	
Cc1cc(C)c2[nH]c(CCC(=O)N3CCC4(CC3)C[C@@](C)(O)[C@H](n3cnc5c(N)ncnc53)CO4)nc2c1	2037879996	HRBMZOWVNLXRKQ-NIYFSFCBSA-N	518.622	2.608	0	40	KFAB	
CC(=O)OC[C@H]1O[C@@H](Oc2ccc(Br)cc2Br)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	2038176997	VBWWLFJAKXINAH-UJMXGEILSA-N	582.194	2.674	0	40	KFAB	
Cc1ccc(-c2nnn(CC(=O)N(c3ccc4c(c3)OCCO4)[C@@H](C(=O)NC[C@@H]3CCCO3)c3ccco3)n2)o1	888713	RJCOBDSZWVXYOE-UQBPGWFLSA-N	548.556	2.675	0	40	KFAB	
COC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cn(Cc2ccccc2)cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C	4059831	CEFIKNVKGSMLOV-LJWNLINESA-N	598.789	2.567	0	40	KFAB	
CCS[C@@H]1[C@@H](n2cnc3c(Cl)nc(Cl)nc32)O[C@@H]([C@@H](COC(C)=O)OC(C)=O)[C@H]1OC(C)=O	5120790	ZHGZDYNKUOXKLU-MLXUFAEESA-N	521.379	2.579	0	40	KFAB	
COc1ccccc1-c1ccnc(N[C@H]2CO[C@@H]3[C@@H](NS(=O)(=O)c4cccc5cccnc45)CO[C@H]23)n1	5433961	CDQKRXHDGQPYBI-LDTXMFMOSA-N	519.583	2.626	0	40	KFAB	biogenic,in-vitro
CCOC(=O)CNC(=O)[C@@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)c(Cl)c1	6546663	JSJDDNRQQKTOKL-HXUWFJFHSA-N	547.996	2.993	0	40	KFAB	
COc1ccc(CC(=O)Nc2nnc(SCC(=O)NCc3ccc4c(c3)OCO4)s2)cc1OC	9599899	QOIZNWIIZVVRRX-UHFFFAOYSA-N	502.574	2.874	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12	12565800	JQCNJZRZOJEITL-UHFFFAOYSA-N	520.567	2.668	0	40	KFAB	
COc1cc2nc(CN3CCN(S(=O)(=O)c4c(C)c(C)cc(C)c4C)CC3)[nH]c(=O)c2cc1OC	12602985	CCBNNJLNEBAGMR-UHFFFAOYSA-N	500.621	2.680	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(Cc3ccc(F)cc3)[C@@H](C)C(=O)NC3CCCC3)n2)cc1OC	12701160	BVDYTRDCAMBEFY-KRWDZBQOSA-N	510.570	2.973	0	40	KFAB	
COC(=O)[C@@H](C)Sc1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1-c1cc(OC)ccc1OC	13148472	DVGTUGUEUHRQAQ-CQSZACIVSA-N	506.606	2.855	0	40	KFAB	
Cc1c(Cl)ccc2c1NC(=O)[C@]21N[C@H](CCC(N)=O)[C@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]21	16010395	OPQHQZAYMBZLGC-VGHKVXAASA-N	505.333	2.631	0	40	KFAB	
COc1ccc(CNC(=O)CC[C@H]2N=C3c4ccccc4N=C(SCC(=O)NC[C@H]4CCCO4)N3C2=O)cc1	38150018	MKSDDXMMPLLTEO-NFBKMPQASA-N	549.653	2.779	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCC(N(C)C)CC4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1	105498898	CGARTGZKSBMNJL-LMTOTAIGSA-N	550.681	2.930	0	40	KFAB	
CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O	222874471	IQCHQMOIUSIYSI-OAQYLSRUSA-N	505.637	2.802	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	223455361	RBWCVAYXHZRINT-FQEVSTJZSA-N	547.674	2.956	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	223742425	RDLQDYWDAJQOED-INIZCTEOSA-N	512.028	2.677	0	40	KFAB	
CS(=O)(=O)N(CC(=O)NCCOc1ccccc1Cl)c1ccc(I)cc1	223772629	AJELWSDGIMHFHJ-UHFFFAOYSA-N	508.765	2.906	0	40	KFAB	
CCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	224581330	LUQCHAHFJKDBRN-OAQYLSRUSA-N	519.620	2.524	0	40	KFAB	
CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	224769022	RIJJOINXMBWIGX-OAQYLSRUSA-N	503.596	2.940	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	225193651	KQYRHDPFJFWJRU-SFHVURJKSA-N	510.607	2.911	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	225229020	XNIJLPWUNNDSRD-DLBZAZTESA-N	507.584	2.652	0	40	KFAB	
COC(=O)CSc1nnc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)c3ccc(C)cc3O2)s1	225408383	CTHSJBOVGJEMKR-KRWDZBQOSA-N	520.614	2.707	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccncc3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1	409088689	GMDIPONDTDSBGU-BUDOKORBSA-N	514.401	2.964	0	40	KFAB	
CC(C)C[C@@H]1NC(=O)CC[C@@H](C(=O)NCCOc2ccc(Cl)cc2)NC(=O)c2ccccc2OCCN(C)C1=O	643569423	UUQATMMKYGGVMJ-ZEQRLZLVSA-N	573.090	2.796	0	40	KFAB	
CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN3C(=O)c4ccccc4S3(=O)=O)cc2)cc1	8815834	NLYSUQCLTTXRLU-UHFFFAOYSA-N	515.569	2.669	0	40	KFAB	
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3cccc(Cl)c3)CC2)N[C@@H]1c1cc(OC)c(OC)c(OC)c1	22861276	SUUASEZZQZNGJP-FGZHOGPDSA-N	531.009	2.894	0	40	KFAB	
CC(=O)OC[C@H]1O[C@@H](Oc2cc(OC(C)=O)c3c(=O)c(-c4ccc(OC(C)=O)c(OC(C)=O)c4)coc3c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	85893629	WSMQBJMPWPNLTJ-MCEIUOFSSA-N	742.639	2.698	0	40	KFAB	biogenic
CCCOc1ccc(/C=C/C(=O)N(C)CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)cc1OC	97980253	AMMKYSVCHUKPJR-ZRDIBKRKSA-N	543.665	2.733	0	40	KFAB	
COc1ccc(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1NS(=O)(=O)c1ccc(F)cc1	102993928	IFHWWEYXARIGQY-KDURUIRLSA-N	501.536	2.915	0	40	KFAB	
C[C@H](C(=O)NCCN1CCOCC1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1	222815165	FQVSGHQJBMSBBU-OAQYLSRUSA-N	577.147	2.579	0	40	KFAB	
CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	223653340	ZZWXXFOXVKNRMO-FQEVSTJZSA-N	501.605	2.562	0	40	KFAB	
CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	225082900	TYAORVUQLZHFJK-OAQYLSRUSA-N	505.637	2.803	0	40	KFAB	
COc1ccc(S(=O)(=O)NCc2nc(-c3cccc(Br)c3)no2)cc1N1C(=O)CCC1=O	225402166	GNDMMGLBPFKTRG-UHFFFAOYSA-N	521.349	2.640	0	40	KFAB	
COC(=O)c1cc(NC(=O)C2CCN(S(=O)(=O)c3cc(C)ccc3OC)CC2)cc(C(=O)OC)c1	408584097	LNWADGVBVMAJJO-UHFFFAOYSA-N	504.561	2.616	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1	408985915	NXRHPPSMCJLXMW-IZBTWGKQSA-N	584.647	2.850	0	40	KFAB	
O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4cc(-c5ccncc5)ccc41)CC[C@@H]3O)N(Cc1ccc3c(c1)OCO3)C2	514287424	AXDYGKPVGKKFMD-BFQXTTCBSA-N	600.672	2.657	0	40	KFAB	
O=S1(=O)CC[C@@H](N(CC[C@@H]2CCCO2)S(=O)(=O)c2cc(Br)ccc2Br)C1	575420907	FOFNIPFTBUTHMS-KGLIPLIRSA-N	531.288	2.959	0	40	KFAB	
COCC(=O)N1CCCN(C)CCN(C(=O)[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)Cc2ccccc21	643554216	CRLAEQJZDWGTBO-DEOSSOPVSA-N	524.637	2.560	0	40	KFAB	
CC(C)[C@@H]1COc2ccc(Cl)cc2C(=O)NCCCCN(C(=O)CCc2cnn(C)c2)CC(=O)N1	643559261	SNICGHVLRPKICU-NRFANRHFSA-N	504.031	2.578	0	40	KFAB	
C[C@@H]1NC(=O)C2(CCCCOCCCNC1=O)CCN(C(=O)C1(c3ccc(F)cc3)CCOCC1)CC2	643564158	PVOXDOBFNBUMKN-NRFANRHFSA-N	517.642	2.694	0	40	KFAB	
CCOC(=O)CCC(=O)O[C@@H]1[C@@H](N(C)C)C[C@@H](C)O[C@@H]1O[C@@H]1[C@@H](C)[C@H](O[C@H]2C[C@](C)(OC)[C@@H](O)[C@H](C)O2)[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@@]1(C)O	1547138079	NSYZCCDSJNWWJL-BZZKIZFHSA-N	862.064	2.680	0	40	KFAB	
COC(=O)c1ccc(CSc2nnc(NC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)s2)cc1	3262518	OMNZDAWVEKAOLH-UHFFFAOYSA-N	534.641	2.890	0	40	KFAB	
COc1ccc(CNC(=O)COC(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)cc1OC	3362084	KBGQAQFMWFDZNX-UHFFFAOYSA-N	542.566	2.749	0	40	KFAB	
COc1ccc(C(=O)Nc2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(S(=O)(=O)c3ccc(NC(C)=O)cc3)C2)cc1	4236282	KJLJTGLAQQBXNM-AZUAARDMSA-N	536.610	2.876	0	40	KFAB	biogenic,in-vitro
CSCC[C@@H](N)C(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)[C@H](N)CCSC)cc2)cc1	4792010	GBWOZPDATWATOA-WOJBJXKFSA-N	510.707	2.557	0	40	KFAB	
Cc1ccc(-c2nnn(CC(=O)N(C[C@H]3CCCO3)[C@@H](C(=O)NC3CCCC3)c3ccc(O)cc3)n2)o1	12702741	JOXMQHYXXWCKDR-ZJSXRUAMSA-N	508.579	2.755	0	40	KFAB	
COC(=O)[C@@]1(CCSC)N[C@@H](c2ccc(OC)cc2OC)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21	20150594	WVBQHKKDSUDZBV-VWEIPLKFSA-N	502.564	2.958	0	40	KFAB	
COc1ccc(CN2CCN([C@@H](c3cc4ccc(OC)cc4[nH]c3=O)c3nnnn3C[C@@H]3CCCO3)CC2)cc1	22867600	KFQACXKXNOWHEG-IGKIAQTJSA-N	545.644	2.618	0	40	KFAB	
COc1cc(C(=O)O[C@H](C)CN2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC	31484064	TWZWYGOBLUMNKN-QGZVFWFLSA-N	532.590	2.742	0	40	KFAB	
Cc1cn([C@H]2C[C@H](O[P@](=O)(O)Oc3c[nH]c4ccc(Br)c(Cl)c34)[C@@H](CO)O2)c(=O)[nH]c1=O	100034037	UXBYDQPRYZBTRV-IACUBPJLSA-N	550.686	2.587	0	40	KFAB	in-vitro
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccc(C)c5)sc4n3)CC2)cc1	101510842	MFWQROHKZVQTEZ-UHFFFAOYSA-N	538.655	2.591	0	40	KFAB	
COC(=O)Cn1c(=O)c(C(=O)CSc2nnc(Nc3ccccc3C)s2)c(N)n(Cc2ccccc2)c1=O	103092142	HCUDYOFJAAWFMV-UHFFFAOYSA-N	552.638	2.692	0	40	KFAB	
CO[C@H](/C=C/CC/C=C/C(=O)O)[C@H](O)[C@H](C)[C@H](O)/C(C)=C/[C@H](C)C(=O)CCCC1CC(=O)NC(=O)C1	105152599	YQDJUXPUIRGKNV-MMFCHELVSA-N	507.624	2.711	0	40	KFAB	biogenic,in-vitro
Cn1c(=O)c(C(=O)NC(=O)OCc2ccccc2)cn(CCSCCOC(=O)NCCCCCCNC(=O)OCCSCCn2cc(C(=O)NC(=O)OCc3ccccc3)c(=O)n(C)c2=O)c1=O	195524593	FBSPQYFRDYYORT-UHFFFAOYSA-N	983.092	2.720	0	40	KFAB	
COc1ccc([C@H](C)NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)cc1OC	216483083	UQUSVUFCLSDQSX-ZDUSSCGKSA-N	518.373	2.952	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O	222465729	ISFIBXGEDHBQPO-INIZCTEOSA-N	543.427	2.529	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O	222468933	RUUGNGIZOLKPSB-KRWDZBQOSA-N	510.454	2.995	0	40	KFAB	
O=C(NCCc1ccccc1)[C@@H]1CN(C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc2O1	222892191	QQBGQJXQMMEMSH-NDEPHWFRSA-N	563.676	2.793	0	40	KFAB	
CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OCC)cc1)S(C)(=O)=O	224530224	WNFBTBLKWAHKQE-HSZRJFAPSA-N	505.637	2.803	0	40	KFAB	
O=C(NCCCN1CCOCC1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1	408583060	YLEIUHKWYILTFO-GOSISDBHSA-N	529.435	2.893	0	40	KFAB	
CCCC1=C(C(=O)OCC)[C@@H](c2ccc3c(c2)OCO3)n2c(s/c(=C\c3cccc(OCC(=O)O)c3)c2=O)=N1	408837879	PFXJWBXPWVWRSI-GOWBIRFASA-N	550.589	2.771	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	408979907	DILJAAXHJVECCD-NWKGEQBZSA-N	540.594	2.538	0	40	KFAB	
NS(=O)(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2Cl)cc1	409350645	UIKMVMMEUVPEAG-UHFFFAOYSA-N	502.014	2.616	0	40	KFAB	
NC(=O)C[C@H](c1cccc(Oc2ncccn2)c1)c1oc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c1O	524729266	LRHIJUHNIMNCGA-QMHWCDLVSA-N	555.591	2.716	0	40	KFAB	biogenic
COCC(=O)N1CCN(Cc2ccc(OCCn3ccnc3C)c(OC)c2)C[C@](O)(COc2ccc(F)c(F)c2)C1	585274916	RMMJCRTXJYYJFX-GDLZYMKVSA-N	574.625	2.658	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC(C)=O)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	1458631	HCCFBJYRMOXQAW-MFUBYVTQSA-N	522.579	2.741	0	40	KFAB	
O=C1Nc2c(c(=O)[nH]c(=O)n2-c2ccc(Cl)cc2)[C@]1(NS(=O)(=O)c1ccc(Cl)cc1)C(F)(F)F	1854199	FIEUJDURIJJHOP-GOSISDBHSA-N	535.287	2.521	0	40	KFAB	
CCOC(=O)c1ccc(NC(=O)CSc2nc(-c3ccc(F)cc3)nc3c2c(=O)n(C)c(=O)n3C)cc1	11758200	IEEJIODPDPVTFQ-UHFFFAOYSA-N	523.546	2.741	0	40	KFAB	
COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@@H](CC(N)=O)N[C@@]12C(=O)Nc1ccc(Br)cc12	16027175	QXHHTWPQPJNDRS-QENPMARHSA-N	507.772	2.751	0	40	KFAB	biogenic
Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)Cc2ccccc2)cc1	20030621	MYOQXFMXZQQBDB-UHFFFAOYSA-N	515.657	2.753	0	40	KFAB	
COc1ccc(S(=O)(=O)NCCC(=O)Nc2ccccc2)cc1N(C)S(=O)(=O)c1ccccc1	95117004	YMRZWWFYBYZXCT-UHFFFAOYSA-N	503.602	2.827	0	40	KFAB	
COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2-c2nnn(CC(=O)Nc3ccccc3OC)n2)cc1	100365873	FGRHNMXLTOYDOT-UHFFFAOYSA-N	522.543	2.575	0	40	KFAB	
CC(=O)N[C@H]1[C@H](Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	102324067	AUZCUOOUVRHFOF-LASHMREHSA-N	559.412	2.759	0	40	KFAB	
C[C@H]([C@@H]1C[C@@H]2CC[C@@H]1C2)n1c(COc2ccccc2F)nnc1SCC(=O)c1c(N)n(C)c(=O)n(C)c1=O	103141820	DDXGBFDTSWBNOB-VQHPVUNQSA-N	542.637	2.948	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	223104506	FZZTWDFMYQNRAJ-QZTJIDSGSA-N	523.627	2.941	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	224765496	QRRLNGVZMLWZRH-LJQANCHMSA-N	503.621	2.823	0	40	KFAB	
CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@@H]1O[C@H](n2ccc3c(N)ncnc32)[C@@H](O)[C@@H]1O	301055157	WXRGFPHDRFQODR-LNEBKTTKSA-N	539.681	2.852	0	40	KFAB	
COc1ccc(OC)c(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1	408690790	WRODIVHKURHZGL-DUIKAJENSA-N	504.539	2.604	0	40	KFAB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OC(C)=O)c(OC)c4)c(=O)n32)cc1OCC	408941118	JUWDGWPAFVDYDK-WRPBSQTBSA-N	552.605	2.749	0	40	KFAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)OCO4)c(=O)n2[C@H]1c1ccccc1OC	409093815	AJMWANRJZYRVBX-XPCGLTFESA-N	505.596	2.841	0	40	KFAB	
CN1CC(=O)N(CCCOc2ccc(CN3CCOC[C@@](O)(COc4ccc(Cl)cc4)C3)cc2)C1=O	585280646	QQXFPUUHTIJTAW-AREMUKBSSA-N	518.010	2.645	0	40	KFAB	
CN(Cc1ccccc1)C(=O)C[C@@]1(COc2ccc(F)cc2)CN(C(=O)c2ccc(=O)n(C)c2)CCO1	585286128	NDDDHIQZZCPOMP-NDEPHWFRSA-N	507.562	2.863	0	40	KFAB	
CCn1c(=O)oc2cc(NC(=O)CN3CCC[C@@]4(CC=CCOc5ccccc5C(=O)NCCNC4=O)C3)ccc21	2037879818	RMBCUKUZLLURLZ-PMERELPUSA-N	561.639	2.520	0	40	KFAB	
Cc1ccc2c(c1)OCCCNC(=O)C1(CCCCNC2=O)CCN(C(=O)CCc2ccnn2C)CC1	2037883877	AACLMRFFWOZEID-UHFFFAOYSA-N	509.651	2.769	0	40	KFAB	
COc1ccc(OC)c(-c2csc(NC(=O)COC(=O)CNC(=O)c3ccc(OC)c(OC)c3)n2)c1	12891539	YKDLRFJOJKOERQ-UHFFFAOYSA-N	515.544	2.756	0	40	KFAB	
C/C(=C/C(=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	43769723	MINDHVHHQZYEEK-MLLKEYDCSA-N	500.629	2.593	0	40	KFAB	
N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O	71788085	ICYSKDDWEYRSIH-UIOOFZCWSA-N	543.624	2.969	0	40	KFAB	
O=C1CN(c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)C(=O)CN1c1cc(S(=O)(=O)N2CCCC2)ccc1Cl	102834619	MUHFSBCUFSVRGF-UHFFFAOYSA-N	601.534	2.942	0	40	KFAB	
COc1ccccc1-n1cnnc1SCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	103057294	YBBBGNHGPNTNAZ-UHFFFAOYSA-N	524.024	2.681	0	40	KFAB	
CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OC)c2)n2c(s/c(=C\c3ccc(N4CCN(C)CC4)o3)c2=O)=N1	103708805	VOSGGONBXPHLKF-ARYJOXFRSA-N	550.681	2.932	0	40	KFAB	
CCNC(=O)c1ccc(OC)c(S(=O)(=O)N2C[C@@H](C(=O)NCc3ccccc3)Oc3ccccc32)c1	223016476	OTQXHALTEWVPAT-QHCPKHFHSA-N	509.584	2.718	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O	223786371	TUXRELRIYTUJBV-OAHLLOKOSA-N	514.417	2.908	0	40	KFAB	
COc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)cc1OC	224186630	XFKBBKMWZDFQDY-FQEVSTJZSA-N	519.664	2.968	0	40	KFAB	
COc1ccc(-c2noc(CN(C)S(=O)(=O)c3nnc(NC(=O)c4ccc(C)cc4)s3)n2)cc1	224440652	QUEZNEOIVXKDCP-UHFFFAOYSA-N	500.562	2.978	0	40	KFAB	
CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	224718038	BYRMVMNMFUNHQF-IBGZPJMESA-N	505.637	2.722	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCc1ccccc1CN1CCCC1	224802870	QHZFNACTTJEKDM-UHFFFAOYSA-N	501.649	2.561	0	40	KFAB	
Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccc3c(c2)C[C@@H](C)N3S(=O)(=O)c2ccccc2)cc1	225849544	QXMRBHVWWJHEFK-LJQANCHMSA-N	513.641	2.843	0	40	KFAB	
CN(Cc1ccccc1)C(=O)C[C@@]1(COc2cccc(Cl)c2)CCCN(C(=O)CNS(C)(=O)=O)C1	257330204	XNIWIPNUDVAQCH-VWLOTQADSA-N	522.067	2.926	0	40	KFAB	
O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)N1CCN(c2cccc(Cl)c2)CC1	408600631	BLAQOYPDFGFJON-UHFFFAOYSA-N	514.431	2.742	0	40	KFAB	
CCOc1ccc(CCCNC(=O)[C@@H]2CC(=O)NC3(CCCC3)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C)COc3ccccc3C(=O)N2)cc1OC	643573287	SDBLXBXWWKAJEQ-HCWRMBROSA-N	693.842	2.798	0	40	KFAB	
CC(=O)OC[C@H]1O[C@H](Oc2ccc(Br)cc2Br)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	2038176996	VBWWLFJAKXINAH-RMMWZPCPSA-N	582.194	2.674	0	40	KFAB	
CCOC(=O)Cn1nnnc1CN(CCc1ccc(OC)c(OC)c1)Cc1cc2cc(C)ccc2[nH]c1=O	925865	ZSNZKJSAWVERQL-UHFFFAOYSA-N	520.590	2.648	0	40	KFAB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C3/C(=O)Nc4ccccc43)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	980624	WBDOVCLYGHGNKE-HRNPCJQISA-N	551.580	2.987	0	40	KFAB	
O=c1[nH]c2cc3c(cc2cc1CN(Cc1nnnn1Cc1ccc(F)cc1)C[C@@H]1CCCO1)OCCO3	1373938	MRMYGSIBUXHAQF-NRFANRHFSA-N	506.538	2.654	0	40	KFAB	
Cc1cccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)n2C)c1	13145749	FZUSQXDUJKMDRZ-KRWDZBQOSA-N	501.634	2.931	0	40	KFAB	
COc1ccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1OC	100472018	HVRLOEOBPZWHKG-OAQYLSRUSA-N	557.591	2.739	0	40	KFAB	
CCCNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)NC3CCCCC3)c2=O)cc1	102523829	LQGLXMMEQZLTCJ-UHFFFAOYSA-N	536.629	2.817	0	40	KFAB	
CN(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NCc1cccnc1)S(C)(=O)=O	223116534	MIBLKRPMQBNEGD-DEOSSOPVSA-N	529.062	2.883	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)c2ccc(N(Cc3ccc(F)cc3)S(C)(=O)=O)cc2)cc1	224225356	BDISYVQHCULKLO-UHFFFAOYSA-N	549.646	2.851	0	40	KFAB	
CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	224765546	QRRLNGVZMLWZRH-IBGZPJMESA-N	503.621	2.823	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C	225029972	KDFGLGYRDDYYJR-OAQYLSRUSA-N	518.680	2.868	0	40	KFAB	
CCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	225380710	YYPVQGUWMDAIMF-JOCHJYFZSA-N	533.647	2.914	0	40	KFAB	
COC(=O)CSc1nnc(NC(=O)[C@@H]2CN(S(=O)(=O)Cc3ccccc3)c3ccccc3O2)s1	225622262	GGPWBIOZMRKSBY-KRWDZBQOSA-N	520.614	2.539	0	40	KFAB	
CN1CCN(C(=O)C[C@]2(COc3cccc(Cl)c3)CCCN(C(=O)CCCn3cncn3)C2)CC1	257213186	CGMOCVWEXSZPTP-RUZDIDTESA-N	503.047	2.564	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2)cc1	408560468	PBRMCWFJJDYVSF-UHFFFAOYSA-N	515.632	2.559	0	40	KFAB	
CCOC(=O)c1cccc(NC(=O)CSc2nnc([C@@H](CO)NC(=O)c3ccc(OC)cc3)n2CC)c1	408596047	NJOUPBCXRZFGEH-HXUWFJFHSA-N	527.603	2.678	0	40	KFAB	
CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	409027805	FJTOYVCPVXSQKJ-UHFFFAOYSA-N	619.718	2.957	0	40	KFAB	
CC(=O)N[C@@H]1[C@H](Sc2nnc(COc3ccccc3C)n2-c2ccccc2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	504223138	OKYFYXJXMVBPKJ-AHHSGJDGSA-N	626.688	2.903	0	40	KFAB	biogenic
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCc2cccc(CN3CCCC3=O)c2)CC(=O)N(Cc2ccccc2)CC1=O	643570633	LNPBTLCFZNOPAF-PMERELPUSA-N	639.753	2.884	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OC	2304212	QAFXIQCQEGZAPL-LJJBLSSYSA-N	524.595	2.833	0	40	KFAB	
CCn1nccc1/C=c1/sc2n(c1=O)[C@@H](c1ccc(O)c(OC)c1)C(C(=O)Nc1ccccc1)=C(C)N=2	2787740	ZIEAEFOQVQYZBO-NLZIUFDSSA-N	515.595	2.805	0	40	KFAB	
CCOc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(Cc2cccs2)C(=O)c2snc(C(N)=O)c2N)cc1	6601711	PQHOVSWCDAXAFM-DYESRHJHSA-N	543.671	2.963	0	40	KFAB	
CCc1ccccc1NC(=O)CNC(=O)CS[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O	14183370	JXUPNJFPGSABBU-SFHVURJKSA-N	509.632	2.862	0	40	KFAB	
CCn1c(COC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)nc2cc(S(=O)(=O)N(C)C)ccc21	97982520	JTWAGTDUWBCGQQ-UHFFFAOYSA-N	540.689	2.512	0	40	KFAB	
CCOC(=O)C1=C(CN(Cc2ccc3c(c2)OCO3)C(=O)c2cnccn2)NC(=O)N[C@@H]1c1ccc(OC)cc1	98008910	SHULEPLHCFCQOO-RUZDIDTESA-N	545.552	2.728	0	40	KFAB	
COc1ccc(C(OC[C@@]23CO[C@H]([C@H](n4cc(C)c(=O)[nH]c4=O)O2)[C@H]3O)(c2ccccc2)c2ccc(OC)cc2)cc1	100186709	LRHODMQLNIWFSL-DGEPZWHSSA-N	572.614	2.898	0	40	KFAB	
Cc1ccc(-n2ncc3c(SCC(=O)Nc4ccc(S(=O)(=O)N5CCOCC5)cc4)ncnc32)cc1	100346458	KSHVQPPCIFJRQP-UHFFFAOYSA-N	524.628	2.876	0	40	KFAB	
NS(=O)(=O)c1ccc(CCNC(=O)CSC2=Nc3ccccc3C3=N[C@H](CCC(=O)NCc4cccs4)C(=O)N23)cc1	102745668	NJHBLXMLPUINJD-HSZRJFAPSA-N	624.770	2.543	0	40	KFAB	
O=C(Nc1ccccc1C(=O)N1CCOCC1)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1	113948767	HJGBIWQATLFLOR-UHFFFAOYSA-N	506.024	2.993	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)CCCc4ccccc4)C3)CC2)cc1	216332704	OQIITQLFMQLHKQ-DEOSSOPVSA-N	533.716	2.503	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	222768429	XERMIJHJFWBYKE-CQSZACIVSA-N	519.426	2.909	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	223018684	JTCTVDUBPBFXST-QGZVFWFLSA-N	568.490	2.930	0	40	KFAB	
CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	223180976	OREXQFYOFANVOD-IBGZPJMESA-N	510.012	2.778	0	40	KFAB	
COc1ccc(OCCNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1	223859182	HIUUJTYMATZKNE-UHFFFAOYSA-N	516.547	2.996	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	225374963	RJWNGSGHVYAECZ-ZWKOTPCHSA-N	501.605	2.562	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\Nc3cc(C(=O)O)ccc3C)c(=O)n2[C@H]1c1cccc(OC)c1	408880718	GYOJTQFYOPZRQV-WLJFKGHSSA-N	507.568	2.835	0	40	KFAB	
CC1(C)NC(=O)C[C@@H](C(=O)NCCc2c[nH]c3ccccc23)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC1=O	643576597	UXCWIVZSUYOXRV-KYJUHHDHSA-N	666.779	2.536	0	40	KFAB	
CC(C)(C)OC(=O)NCCCCCCNC(=O)CCCCC(=O)Nc1cccc2c1C(=O)N([C@H]1CCC(=O)NC1=O)C2=O	1775953417	QYRMZFOSCLMHJD-NRFANRHFSA-N	599.685	2.788	0	40	KFAB	
COc1ccccc1C[C@]1(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)C(=O)NC(=O)N(c2ccccc2)C1=O	2139303	BOCSJCZQQYABHK-YVXHJSNWSA-N	526.593	2.788	0	40	KFAB	biogenic
CCOC(=O)C1=C(C)N=c2s/c(=C3/C(=O)Nc4ccc(Br)cc43)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	2799496	UHZFNGHPZKCYQM-JBCNATCCSA-N	584.448	2.900	0	40	KFAB	
COc1cc([C@H]2[C@H](C(C)=O)N3N=Cc4ccccc4[C@@H]3C23C(=O)OC(C)(C)OC3=O)ccc1OC(C)=O	8856574	VESUMBFJRABQSF-RJGXRXQPSA-N	506.511	2.889	0	40	KFAB	
COC(=O)c1cc(NC(=O)C[C@@H]2C(=O)N[C@H]3CCCC[C@@H]3N2C(=O)c2ccc(F)cc2)cc(C(=O)OC)c1	9926938	WOVLFEMBJYTGKW-FDFHNCONSA-N	525.533	2.680	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(C)cc2)CC1	60028623	LLJJOSRSKDXQTB-UHFFFAOYSA-N	535.688	2.969	0	40	KFAB	
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)cc2)n1	60028898	JMLWTBPSWJANEN-UHFFFAOYSA-N	566.061	2.821	0	40	KFAB	
CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O)C(C)C)C(=O)O	70707291	WEBDYYQPNJARBQ-XPVKZQAGSA-N	561.639	2.711	0	40	KFAB	biogenic
CCOC(=O)COc1c(I)cc(/C=C2\SC(=O)N(CC(=O)OCC)C2=O)cc1OC	97960401	RFABILFMGPAKHO-ZSOIEALJSA-N	549.339	2.841	0	40	KFAB	
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=S)N3C[C@@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc2)n1	100212146	CVCYYFHJWGQOQG-ROUUACIJSA-N	510.645	2.872	0	40	KFAB	
COC(=O)[C@@H]1CN(C(=O)COc2ccc(S(=O)(=O)Nc3cccc(OC)c3)cc2)c2ccccc2O1	222736349	NTQCYWJFUXKEOT-QHCPKHFHSA-N	512.540	2.842	0	40	KFAB	
COC(=O)[C@@H]1CN(C(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc2Cl)c2ccccc2O1	222828455	SJWOKUPGYAZIDW-NRFANRHFSA-N	508.980	2.907	0	40	KFAB	
O=C(NCCCO)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	223078828	DUBIJODMXDANHM-GDLZYMKVSA-N	630.163	2.878	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1ccc(OC)cc1)[C@@H](C)C(=O)NC(C)(C)C)c1ccc2c(c1)OCO2	223081111	AXCPOCVWRXEGRP-SFHVURJKSA-N	533.647	2.912	0	40	KFAB	
CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O	223434011	OFPDZRGOQAIWKD-FQEVSTJZSA-N	512.028	2.677	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	225190343	JJTDAKNEXVXSEB-SFHVURJKSA-N	510.607	2.911	0	40	KFAB	
CCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	225412482	GKQAQGUYIIYJBK-HSZRJFAPSA-N	547.674	2.956	0	40	KFAB	
COc1ccc(CCNC(=O)c2ccccc2NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)cc1OC	408629871	JNCCEBVIVPCJCW-UHFFFAOYSA-N	540.642	2.928	0	40	KFAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(=O)OC)cc3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	409100417	NEWVIWVULZFNSO-XSZPGNIMSA-N	549.649	2.907	0	40	KFAB	
O=C1N[C@H](C(=O)NCCCc2ccccc2)CC(=O)N2CCC[C@@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCOc2ccccc21	643576639	YKRLJJNSMNNOQG-RWSKJCERSA-N	653.780	2.541	0	40	KFAB	
CC(=O)OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)C(=O)Nc1c(Cl)cc(Cl)cc1Cl	8856325	DZVCIZYWXBFEKF-NJAFHUGGSA-N	512.726	2.944	0	40	KFAB	
CC(C)CN(C(=O)CSc1nc(-c2ccccc2)cn1N)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	12525272	DPCRXTCSRXRHFN-UHFFFAOYSA-N	519.631	2.526	0	40	KFAB	
CCCCCN(C(=O)CCC(=O)OCCOc1ccc(OC)cc1)c1c(N)n(CCCC)c(=O)[nH]c1=O	12900030	YTCWBYPBIJVKFR-UHFFFAOYSA-N	518.611	2.853	0	40	KFAB	
Cc1c(NC(=O)[C@@H](C)OC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccco2)c(=O)n(-c2ccccc2)n1C	13063644	XVJFUMFDBPPRGU-DENIHFKCSA-N	516.554	2.989	0	40	KFAB	
Cc1cccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)n2C)c1	13145748	FZUSQXDUJKMDRZ-QGZVFWFLSA-N	501.634	2.931	0	40	KFAB	
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3)S(=O)(=O)N(C)C)cc2)cc1	14154824	MTBSXPHCZQNKOJ-UHFFFAOYSA-N	518.617	2.748	0	40	KFAB	
CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H](Cc4ccc(O)cc4)N[C@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)cc1	16033886	HBPDCJCYTCWGJM-DFIMXKNXSA-N	515.497	2.624	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)C2)cc1	20031780	ITZGQPSZWIXOMT-JOCHJYFZSA-N	519.689	2.887	0	40	KFAB	
C[C@@H](OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br)C(=O)N(C)C1CCCCC1	32691570	WMJJSVAHKLOJRM-OAHLLOKOSA-N	517.442	2.806	0	40	KFAB	
CSCC[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCN(C(=O)c2ccco2)CC1	32999919	VIDKGOZJQWAXDU-QGZVFWFLSA-N	519.567	2.683	0	40	KFAB	
COc1cccc([C@@H](C(=O)NC[C@H]2CCCO2)N(Cc2ccc3c(c2)OCO3)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1	100341448	KYHRLSZYMCSAIY-BTYSJIOQSA-N	621.668	2.634	0	40	KFAB	
COC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)sc2cc(F)ccc21	100876442	OGKDMDLUABOJTC-YWHNGMMOSA-N	521.592	2.554	0	40	KFAB	
C[C@H]1Cc2ccccc2N1C(=O)COC(=O)Cn1cc(I)c(=O)c(I)c1	102218576	UWYZXUODCPCXIG-NSHDSACASA-N	578.144	2.579	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	222560073	ZGZFZRMZNFUTFH-VWLOTQADSA-N	557.644	2.995	0	40	KFAB	
CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC[C@@H]2CCCO2)cc1	222717088	UYSWHMOCCBCZMD-REWPJTCUSA-N	501.649	2.630	0	40	KFAB	
COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	223144861	PDMFAAYXIOIMLQ-UHFFFAOYSA-N	509.650	2.691	0	40	KFAB	
CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC(=O)OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cc1	409049687	ZPOFIDOICKEGNV-OXTLUBNBSA-N	638.695	2.691	0	40	KFAB	
COc1cccc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)c1	409378418	PFXJZQULSLEVRG-XMLDOQAMSA-N	511.527	2.844	0	40	KFAB	
COc1cc(CN2CCN(C(C)=O)C[C@](O)(COc3ccccc3)C2)ccc1OCCCn1ccnc1	585272256	LZIGBISHTKFDLQ-NDEPHWFRSA-N	508.619	2.835	0	40	KFAB	
CCc1nccn1CCOc1cc(CN2CCN(C(=O)COC)C[C@](O)(COc3ccc(F)cc3)C2)ccc1OC	585273621	SRLJXPSXMCPTGP-PMERELPUSA-N	570.662	2.773	0	40	KFAB	
CC(=O)N1CCN(CC2(O)CCN(c3ccc(F)cc3)CC2)C[C@](O)(COc2ccc(F)c(C)c2)C1	585281807	BAPRDZULBCLFRR-HHHXNRCGSA-N	503.590	2.579	0	40	KFAB	
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)N3C[C@@H]4C[C@H](C3)CN3C(=O)CCC[C@H]43)[C@@H]21	604403872	AYXVRVLRTNRVFZ-ZYVSYRLQSA-N	544.608	2.678	0	40	KFAB	biogenic
C[C@@H]1COc2ccccc2C(=O)NCCCCC2(CCN(C(=O)CCN3CCN(c4ccccn4)CC3)CC2)C(=O)N1	643560967	QISXOYQUPBBWMW-RUZDIDTESA-N	576.742	2.700	0	40	KFAB	
C[C@H]1COCCCCC2(CCN(C(=O)C3(c4cccc(F)c4)CCOCC3)CC2)C(=O)N[C@@H](C)C(=O)N1	643564066	CARUQFLTRFZMFH-SFTDATJTSA-N	517.642	2.693	0	40	KFAB	
Cc1ccccc1OCCN(C)C(=O)[C@@H]1CC(=O)N[C@H](C(C)C)C(=O)N2CCC[C@H]2COc2ccccc2C(=O)N1	643579244	YBJANOJLMRFZOX-SNUWEPMUSA-N	564.683	2.545	0	40	KFAB	
CC(C)n1cnc2cc(C(=O)N3CCC4(CC3)C[C@@](C)(O)[C@H](n3cnc5c(N)ncnc53)CO4)ccc21	2037879993	HFFAIRJKLMBLFL-CJFMBICVSA-N	504.595	2.727	0	40	KFAB	
CCOP(=O)(OCC)[C@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)C(Cl)(Cl)Cl	2106936	JYMSANVMPPHQNZ-AWEZNQCLSA-N	507.716	2.910	0	40	KFAB	
COC(=O)c1cccc(S(=O)(=O)N(Cc2cccnc2)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)c1	6136118	VIRIKDGTSQMLDH-UHFFFAOYSA-N	507.524	2.830	0	40	KFAB	
O=C(/C=C/c1cnc2ccccc2n1)OCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1	16043629	VXBFWRVSMMTFBK-ZRDIBKRKSA-N	516.579	2.873	0	40	KFAB	
CC1(C)Cc2c(c(N3CCOCC3)nc3sc4c(NCCN5CCOCC5)nnnc4c23)CS1	20029527	CUSWZTBJVHWOLT-UHFFFAOYSA-N	501.682	2.783	0	40	KFAB	
CCc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)S(C)(=O)=O)cc1	20493580	YPPKTZKTUHAJTG-UHFFFAOYSA-N	503.606	2.553	0	40	KFAB	
Cc1ccccc1CCN(C(=O)CN1C(=O)c2ccccc2S1(=O)=O)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccco1	100377925	IFTWDBBZPSDLIS-CUNXSJBXSA-N	565.648	2.840	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)n(C)c(=O)n4C)c(=O)n2[C@H]1c1ccc(SC)cc1	103903971	PHIMDNNJHKNYHI-YJADQXIJSA-N	534.663	2.711	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(CN(c2ccccc2F)S(=O)(=O)N(C)C)cc1	113491011	NJTXYIQFDIWGBV-UHFFFAOYSA-N	606.698	2.921	0	40	KFAB	
CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223055005	PHKLEUOAEUULGY-QFIPXVFZSA-N	517.648	2.866	0	40	KFAB	
COC(=O)CSc1nnc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccc(OC)cc3)c3cc(C)ccc3O2)s1	223659537	MKMMFEQTWQRGLM-SFHVURJKSA-N	550.640	2.715	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)cc1	224232443	SFWVXCMBUUEDJV-SFHVURJKSA-N	578.540	2.981	0	40	KFAB	
COc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)cc1OC	224291737	XCHGYAALZKSTDR-SFHVURJKSA-N	523.627	2.798	0	40	KFAB	
Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1	224459127	SKSJNTCOAWQLNS-UHFFFAOYSA-N	559.666	2.626	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](NC(=O)c2cc(-c3ccccc3)nc3ccccc23)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	245285107	VVMNWCWAUDNQKP-FKDLOIHESA-N	578.574	2.715	0	40	KFAB	
COCCn1c(C)cc(CN2CCO[C@](COc3ccc(F)cc3)(CC(=O)N3CCN(C)CC3)C2)c1C	257330359	XOATXPQLIYWDSG-MUUNZHRXSA-N	516.658	2.705	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1ccc(C)cc1)[C@H](C)C(=O)NC(C)C)c1ccc2c(c1)OCO2	260743994	NIKJKDOLNZPNJJ-LJQANCHMSA-N	503.621	2.822	0	40	KFAB	
COc1cccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(c3c(Cc4ccccc4)c(C)nc4ncnn34)CC2)c1OC	8690211	YWUUHDUDAYETDT-AREMUKBSSA-N	571.682	2.873	0	40	KFAB	
CC1(C)O[C@@H]2O[C@H]([C@@H]3COC(C)(C)O3)[C@H](OC(=O)[C@H](Cc3ccccc3)NC(=O)CNC(=O)OCc3ccccc3)[C@@H]2O1	100771941	PGIQKXPBSUHAPP-JSJLHYKCSA-N	598.649	2.580	0	40	KFAB	biogenic
CC(=O)OC[C@H]1O[C@@H](NC(=S)Oc2cccc(Oc3ccccc3)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	101572912	NSLNXOJKPCPSDD-ABYVZCGDSA-N	575.592	2.815	0	40	KFAB	
Cc1cc2oc(-c3cc(C(=O)N4CCC[C@H]4C(=O)N[C@H](CC(C)C)C(=O)NCC(N)=O)cc4c3OCOC4)cc(=O)c2cc1C	102013652	CFKSVMVGALEHAP-RPBOFIJWSA-N	618.687	2.680	0	40	KFAB	
CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccccc4)coc3c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	103692555	IKJNNQJEFRCUHB-XZTKVPSQSA-N	568.531	2.922	0	40	KFAB	
CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(=O)c(-c4nc(C)cs4)coc3c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	170621389	LODGFUDXZVUDFR-WHEQMZTLSA-N	589.575	2.687	0	40	KFAB	
O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCCNc1ccnc2cc(Cl)ccc12	222712826	RDRSACDRDMRCQB-UHFFFAOYSA-N	504.996	2.516	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O	222854604	VPVRUWHNGDAUJD-AREMUKBSSA-N	539.654	2.856	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	223859376	FINZTSQIJRBIAZ-QGZVFWFLSA-N	509.600	2.552	0	40	KFAB	
CCOc1ccccc1N(CC(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)S(=O)(=O)c1ccccc1	224203163	KKMNFXXDVFWHOU-UHFFFAOYSA-N	561.682	2.726	0	40	KFAB	
CC(C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	224692939	ZQQSYIOHQYWORT-QGZVFWFLSA-N	568.490	2.928	0	40	KFAB	
COc1ccc(C(=O)N2CCC(C(=O)NCCc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)cc1OC	226095445	WFKGEHZADSBCAA-UHFFFAOYSA-N	529.659	2.699	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCC2)cc1	260804891	QIVSOFUYCWYKFG-LJQANCHMSA-N	517.648	2.946	0	40	KFAB	
CCOc1c(OC)cccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc4c(c3)OCO4)c(=O)n21	409020074	YZKVOSQIMCWHRT-MGSPXPDISA-N	552.605	2.561	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCCC4)c(OC)c3)c(=O)n2[C@H]1c1cccs1	409172355	CVEKMBKVTRUVHT-DIXABZHVSA-N	567.689	2.870	0	40	KFAB	
COCCNC(=O)[C@@H](c1ccc(C)o1)N(Cc1ccccc1Cl)C(=O)c1snc(C(N)=O)c1N	12467602	IVCOPHFMBCPDPO-GOSISDBHSA-N	505.984	2.525	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCN(C(=O)c3sc4nc5n(c(=O)c4c3C)CCCCC5)CC2)cc1	12818875	JYYMDYSPYCGRGX-UHFFFAOYSA-N	516.645	2.648	0	40	KFAB	
CCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)c(Cl)c1	59852154	CYJUOVOMOBBRQO-UHFFFAOYSA-N	530.068	2.508	0	40	KFAB	
O=C(O)c1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)ccc1Br	64721614	UECHUVBNGULLLF-UHFFFAOYSA-N	539.429	2.996	0	40	KFAB	
CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@H](CC(C)C)C(=O)O	70704910	LDVRDOBJIVCDOS-QMTRIVCPSA-N	536.629	2.620	0	40	KFAB	biogenic
C[C@H](C(=O)NCCN1CCOCC1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1	222713871	JASPCQZBFVIIJY-HSZRJFAPSA-N	598.697	2.871	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	223104206	XZENOMUBDXHRQB-QZTJIDSGSA-N	523.627	2.941	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O	223799642	OGALKXQVYAHDDK-QGZVFWFLSA-N	507.584	2.654	0	40	KFAB	
Cc1cccc(CN(C(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)[C@@H](C)C(=O)NCC(C)C)c1	224167533	KBYFMKORYQLYBP-FQEVSTJZSA-N	506.644	2.936	0	40	KFAB	
Cc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)S(=O)(=O)c2ccccc2)cc1	224202041	UDADYLXMHNNNQG-UHFFFAOYSA-N	531.656	2.636	0	40	KFAB	
CC(C)CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	224306862	AZCHYWYGLMFBIQ-SFHVURJKSA-N	510.607	2.767	0	40	KFAB	
COc1ccc(-c2noc(CN(C)C(=O)CCCN(c3ccc4c(c3)OCCO4)S(C)(=O)=O)n2)cc1	225467523	AEKRYLMKDHXJRN-UHFFFAOYSA-N	516.576	2.721	0	40	KFAB	
CN1CCC(C(=O)N2CC[C@H](Oc3cccc(Br)c3)[C@@H](CC(=O)N3CCOCC3)C2)CC1	257275339	NOXZEPHDYMZAMM-UGKGYDQZSA-N	508.457	2.636	0	40	KFAB	
CC(C)c1nc2ccccc2n1CC(=O)N1CCC2(CC1)COC[C@@](C)(O)[C@H](n1cnc3c(N)ncnc31)C2	257325686	WTZXGJSEQZCVCX-JIPXPUAJSA-N	532.649	2.903	0	40	KFAB	
COc1cc(OC)cc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3cccc(Cl)c3Cl)CC2=O)c1	408662080	WXUSWPZNMTZYJZ-ZDUSSCGKSA-N	510.330	2.686	0	40	KFAB	
Cc1cc(OC[C@]2(CC(=O)N3CCN(C)CC3)CN(C(=O)CCn3nnc4ccccc43)CCO2)ccc1Cl	585283296	CZUCWUHNKBFKEU-NDEPHWFRSA-N	555.079	2.624	0	40	KFAB	
COCCNC(=O)[C@@H]1CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)CCCCCCOc2ccccc2C(=O)N1	1615160644	QMCYXIZLHZIJBZ-DTXPUJKBSA-N	665.832	2.607	0	40	KFAB	
CC(C)(C)OC(=O)NCC(=O)N[C@@H](CSC(c1ccccc1)c1ccccc1)C(=O)NCC(=O)O	5707242	BMTPPIWYWHUNON-IBGZPJMESA-N	501.605	2.720	0	40	KFAB	
COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2F)cc1	7059030	HMBMSCMORITEHI-KKSFZXQISA-N	527.578	2.655	0	40	KFAB	
CCOC(=O)[C@@H]1C(=O)N(CCCN2CCOCC2)c2nc3ccccc3n2[C@@H]1c1ccc(OC)c(O)c1	20802328	BLXZAYSQERECIK-BJKOFHAPSA-N	508.575	2.588	0	40	KFAB	
CC[C@H](C)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C)C(=O)O	38144930	GUZLDXZWVDPPFB-KLRIBQCCSA-N	573.683	2.504	0	40	KFAB	biogenic
CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@@H](C)N[C@]4(C(=O)N(CC(=O)N5CCc6ccccc65)c5ccccc54)[C@@H]3C2=O)cc1	100164734	DWYLCFZEMJWYFF-QAOQQRABSA-N	563.614	2.574	0	40	KFAB	
CCn1cc(C(=O)N2CCN(c3ccccc3)CC2)c(S(=O)(=O)N2CCN(c3cc(C)ccc3C)CC2)n1	102920649	NUQPBLJPBUOZCG-UHFFFAOYSA-N	536.702	2.993	0	40	KFAB	
COc1ccc(C(=O)NC(=S)N[C@H]2CCCC[C@@H]2NC(=S)NC(=O)c2ccc(OC)c(OC)c2)cc1OC	102929548	FQYRLZYUJDRJOK-ROUUACIJSA-N	560.698	2.941	0	40	KFAB	
CCOC(=O)c1oc2cc(OC[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)ccc2c(=O)c1-c1cscn1	150680487	PVMPTMQZVPQGRW-XLOGNDFISA-N	661.638	2.598	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	223269949	JKTGZAIQWBEMSK-GOSISDBHSA-N	510.607	2.911	0	40	KFAB	
CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223612472	DBRGXIVAYRXEDD-JOCHJYFZSA-N	547.674	2.955	0	40	KFAB	
COc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)cc1	224433144	MYPANBSMUVUUBQ-IBGZPJMESA-N	505.637	2.659	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O	225390266	LJBGLNHWOASKAX-CQSZACIVSA-N	502.420	2.931	0	40	KFAB	
Cc1nc(N(C)S(C)(=O)=O)sc1C(=O)N1C[C@@H](C(=O)NCc2ccccc2)Oc2ccccc21	225879692	HYBIPGIWBZUPRY-IBGZPJMESA-N	500.602	2.572	0	40	KFAB	
C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C)[C@@H]4CC=C5[C@H]6[C@@H](C)[C@H](C)CC[C@]6(C(=O)O)CC[C@@]5(C(=O)O)[C@]4(C)CC[C@H]3C2(C)C)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	253387428	IIIOQVDDEWZCEQ-KFTYNTSWSA-N	794.976	2.830	0	40	KFAB	biogenic,in-vitro
Nc1ncnc2c1ncn2[C@H]1CCC[C@H](NC(=O)CCCn2c(C(F)(F)F)nc3ccccc32)[C@@H]1O	257333491	YBTYMNCGRUHKQZ-QOKNQOGYSA-N	502.501	2.828	0	40	KFAB	
Cn1c(O)c(C(c2cc(Br)c(OCC(=O)O)c(Br)c2)c2c(O)n(C)c(=S)n(C)c2=O)c(=O)n(C)c1=S	409070046	KJPSBHZWVKHWMA-UHFFFAOYSA-N	664.354	2.800	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OCCN3CCCC3)cc2)C[C@](O)(COc2ccc(F)c(F)c2)C1	585275110	XASSCYJAVXAXKQ-MUUNZHRXSA-N	533.616	2.540	0	40	KFAB	
COc1cc(CN2CCN(C(C)=O)C[C@@](O)(COc3ccc(F)cc3)C2)ccc1OCCn1ccnc1C	585280649	QRDQUDAHPMQVTG-MUUNZHRXSA-N	526.609	2.892	0	40	KFAB	
Cc1nn(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCCN2CCC3(CCCCCc4ccccc4OCCNC3=O)CC2)C1	643561415	KJZFABPLXJKNRS-HHHXNRCGSA-N	628.840	2.639	0	40	KFAB	
CS(=O)(=O)Nc1ccnn1CCNC(=O)c1ccc2c(c1)CNCCCCCCCN2C(=O)c1cccnc1	643584248	YYAFUWHSDNQZTH-UHFFFAOYSA-N	553.689	2.780	0	40	KFAB	
O=C(O)c1ccc(Cn2cc(CN(Cc3cn(Cc4ccc(C(=O)O)cc4)nn3)Cc3cn(Cc4ccc(C(=O)O)cc4)nn3)nn2)cc1	1976187489	DCCGIRVIZKNLTQ-UHFFFAOYSA-N	662.667	2.903	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCC(c4nc5ccccc5o4)CC3)CC2)cc1	14117230	WANLQEWWJFLGFY-UHFFFAOYSA-N	512.632	2.939	0	40	KFAB	
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=S)N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)cc2)n1	15996641	CVCYYFHJWGQOQG-MSOLQXFVSA-N	510.645	2.872	0	40	KFAB	biogenic
Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)S(C)(=O)=O)cc1	44843078	ZIEOWRISPWZPBS-KRWDZBQOSA-N	503.606	2.687	0	40	KFAB	
Cn1c(=O)c2c(nc(N3CCC(Cc4ccccc4)CC3)n2CCSc2nnnn2-c2ccccc2)n(C)c1=O	97957502	WZGFRSRCAKLPHW-UHFFFAOYSA-N	557.684	2.661	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(=O)c(-c4nc(C)cs4)coc3c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	103692494	LODGFUDXZVUDFR-MVRIJGFHSA-N	589.575	2.687	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O	225481157	YBXYDKAPYMYYHO-QGZVFWFLSA-N	510.454	2.995	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	226072999	QOXOLBRASBHTMV-UHFFFAOYSA-N	500.042	2.938	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)[C@H](C)C(=O)NC2CCCC2)cc1	260751282	BOIDUGGBMKTFQE-LJQANCHMSA-N	534.654	2.923	0	40	KFAB	
CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(Br)cc1OCC(=O)O	408552000	QXSSBBQZFMCYRP-LZYBPNLTSA-N	513.366	2.970	0	40	KFAB	
CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	408877478	VHAVWUZUCJLTFA-UHFFFAOYSA-N	529.640	2.926	0	40	KFAB	
COc1ccc(C(=O)CN(c2ccc(NC(=O)c3ccc(OC)c(OC)c3)cc2)[C@H]2CS(=O)(=O)C[C@H]2O)cc1OC	575422113	LAVXJXDPYNZIDJ-LADGPHEKSA-N	584.647	2.821	0	40	KFAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)Cn4nc(C(F)F)c(Br)c4C)[C@@H]3SC2)s1	2788286	FIOGMPMACJQLAP-LRDDRELGSA-N	595.473	2.582	0	40	KFAB	
COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2OC)cc1	7059825	KHMMBGKDIHPPEQ-VGOFRKELSA-N	539.614	2.525	0	40	KFAB	
Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)S(C)(=O)=O)cc1C	20489742	AUSYEFNSIGRBNP-KRWDZBQOSA-N	503.606	2.687	0	40	KFAB	
CN(CC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)S(=O)(=O)c1ccc(Br)cc1	59837697	JIJANNJCRQDAPG-UHFFFAOYSA-N	544.493	2.561	0	40	KFAB	
COc1ccccc1-n1c(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)nnc1SCC(=O)N1CCc2ccccc21	97985105	IAUUCQGDVBAPFC-UHFFFAOYSA-N	648.767	2.908	0	40	KFAB	
COC(=O)C1=C(CS(=O)(=O)c2ccc(Br)cc2)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1	97999358	VDUINWNVJQEQIW-LJQANCHMSA-N	525.377	2.721	0	40	KFAB	
CC(=O)O[C@H]1C[C@H]2[C@@H](C)C(=O)[C@]3([C@@H]1[C@@]14CCC[C@@](C)(CO[C@H]1OC(C)=O)[C@H]4C[C@H]3OC(C)=O)[C@@H]2OC(C)=O	100359375	WJHJRKXBNNQXFF-FHKSQAACSA-N	534.602	2.739	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1	216247513	LORKLGQZUPCBFM-UHFFFAOYSA-N	513.663	2.581	0	40	KFAB	
CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	223508247	HSDWASYLVQVPSD-GOSISDBHSA-N	501.605	2.563	0	40	KFAB	
CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	225264028	KMYOSSSJBFYIER-OAQYLSRUSA-N	523.627	2.943	0	40	KFAB	
CC(=O)N1CCC(C(=O)N2CCC[C@](COc3cccc(Cl)c3)(CC(=O)N3CCN(C)CC3)C2)CC1	257306918	SWOJKNACOCZZOR-MHZLTWQESA-N	519.086	2.750	0	40	KFAB	
CC(=O)NCCN(C)C1=C[C@@H]2Oc3cc(N(C)CCNC(C)=O)ccc3[C@@]3(OC(=O)c4ccccc43)[C@@H]2C=C1	306121289	DZABLMRNITYWGN-DILYWTOHSA-N	530.625	2.572	0	40	KFAB	in-vitro
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCCC4)c(OC)c3)c(=O)n2[C@H]1c1cccc(OC)c1	409154996	LCHVHOOWRWKYQJ-STEKTNRRSA-N	591.686	2.817	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OC)c(OCCn3ccnc3C)c2)C[C@](O)(COc2ccc(F)c(F)c2)C1	585274881	QJOBOABCEMPJTP-GDLZYMKVSA-N	574.625	2.658	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OCCN3CCCC3)cc2)C[C@@](O)(COc2ccc(F)c(F)c2)C1	585275111	XASSCYJAVXAXKQ-NDEPHWFRSA-N	533.616	2.540	0	40	KFAB	
COc1cccc(N2CCC(O)(CN3CCN(C(C)=O)C[C@](O)(COc4cc(C)cc(C)c4)C3)CC2)c1	585287223	LBIQNOOTLBWEEQ-LJAQVGFWSA-N	511.663	2.618	0	40	KFAB	
CC(C)[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCc2cccc(CN3CCCC3=O)c2)CCC(=O)N2CCC[C@H]2C(=O)N1	643571810	JUVOKALILWQWTE-KCHLEUMXSA-N	617.747	2.528	0	40	KFAB	
CNC(=O)C12CCCCN(C(=O)c3ccc4nn[nH]c4c3)CCOc3ccccc3C(=O)N(CC1)CC2	643574203	IVPYUVFLWPSOLE-UHFFFAOYSA-N	504.591	2.631	0	40	KFAB	
COC(=O)[C@H]1O[C@@H](Oc2ccc(COC(=O)NCCS(C)(=O)=O)cc2NC(=O)CN(C)C(=O)OCC2c3ccccc3-c3ccccc32)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	1848349770	HKCMXFVQNGHVML-KWMSUFDQSA-N	897.909	2.849	0	40	KFAB	
CCc1ccc(-n2nnc(C(=O)N3CCN(c4cc5c(cc4F)c(=O)c(C(=O)O)cn5C4CC4)CC3)c2N)cc1	2087178503	GFLCVGWZXRPCJM-UHFFFAOYSA-N	545.575	2.861	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC(C)=O)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1	1306431	OKDKPSFKJVWIJI-YMSBRDKKSA-N	520.563	2.649	0	40	KFAB	
CCOC(=O)C1=c2s/c(=C\c3cccs3)c(=O)n2C(N)=C(S(=O)(=O)c2ccccc2)[C@@H]1c1cccs1	1762620	DVIYNFDFQYZXNO-GDLUXTLDSA-N	556.712	2.932	0	40	KFAB	
Cc1c(Cl)ccc2c1NC(=O)[C@@]21N[C@H](CCC(N)=O)[C@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@H]21	2338513	PAXDIXLXGGVJMI-SAQZZPNQSA-N	531.794	2.601	0	40	KFAB	
O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CN1CCN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1	3339211	GMEVTPGGNRVSMU-IAGOWNOFSA-N	525.471	2.939	0	40	KFAB	
CCOC(=O)c1ccc(NC(=O)c2ccc(O[C@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)c(OC)c2)cc1	8431866	PUSBLAHHWCDZSD-QMFDZVGKSA-N	645.614	2.586	0	40	KFAB	
CC[C@H](C)[C@H](NC(=O)C1CCN(C(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)CC1)C(=O)O	8918381	PTQHESDZOGJFKJ-NYVOZVTQSA-N	509.669	2.542	0	40	KFAB	biogenic
COc1ccc([C@H](Nc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)C(=O)NC[C@@H]2CCCO2)cc1OC	13028290	HOKKBSSZGQJUFF-BKSPAHHJSA-N	533.647	2.610	0	40	KFAB	
COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4ccc(F)cc4)CC3)cc2c1	19940664	RCKRIXSZSBPKIU-RCZVLFRGSA-N	519.581	2.753	0	40	KFAB	
CC(C)CN(C(=O)COC(=O)COc1ccc2ccccc2c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	38139556	MKDCJBIQCSSIIN-UHFFFAOYSA-N	530.581	2.932	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCc1nc(-c2ccccc2Cl)no1	224367463	RWUQOOCRXQZGDM-UHFFFAOYSA-N	520.995	2.669	0	40	KFAB	
CCOc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	224446831	AXDKUTSVLLZCMU-UHFFFAOYSA-N	663.771	2.514	0	40	KFAB	
C[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O	408704865	URPFXJPLUOWRBI-CQSZACIVSA-N	538.629	2.508	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)c(=O)n2[C@@H]1c1cc(Br)ccc1OC	409169675	QXSDWBNTWNROJI-ZUCAMLDZSA-N	686.581	2.816	0	40	KFAB	
COCC(=O)N1CCN(Cc2cccc(OCCn3nc(C)cc3C)c2)C[C@@](O)(COc2ccc(F)c(F)c2)C1	585273981	HOJAFMFTLNOMNM-LJAQVGFWSA-N	558.626	2.958	0	40	KFAB	
CCOC(=O)CN(C(=O)Cn1nnc(-c2ccc(OC)cc2)n1)[C@@H](C(=O)NC1CCCCC1)c1ccco1	6546330	PFZQXJXTNLFBAJ-XMMPIXPASA-N	524.578	2.524	0	40	KFAB	
COc1ccc(/C=c2/sc3n(c2=O)N[C@]2(c4ccccc4)N(C)C(=O)N(C)[C@@]2(c2ccccc2)N=3)cc1	8670484	MMGMNUOTXKHGRH-BTMIDMACSA-N	511.607	2.627	0	40	KFAB	
COc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1S(=O)(=O)N1CCCCC1	12971728	ZRIVIIJOLUUXRJ-KRWDZBQOSA-N	515.588	2.633	0	40	KFAB	
COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(Cc2ccccc2)C(=O)c2snc(C(N)=O)c2N)cc1OC	38145145	OLXWZOLDKFMFMJ-FDDCHVKYSA-N	553.641	2.520	0	40	KFAB	
CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N2CCCCC2)ccc1C(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O	77312830	HVHBBHOYIACRHO-GKKNLZSLSA-N	628.719	2.571	0	40	KFAB	in-vitro
Cc1nn(-c2ccc(N3CCN(S(=O)(=O)c4ccc(Br)cc4)CC3)nn2)c(=O)c2ccccc12	101103777	DEGHMPHCTULRFG-UHFFFAOYSA-N	541.431	2.758	0	40	KFAB	
C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCN(S(=O)(=O)c4ccc(OC(F)(F)F)cc4)CC3)c2)C[C@@H](C)O1	103038001	WFLNYQRBIDFUQF-QZTJIDSGSA-N	591.630	2.530	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	223051487	FEEAOEWLOXYPBE-MRXNPFEDSA-N	556.479	2.786	0	40	KFAB	
Cc1ccc(CN(C(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)[C@@H](C)C(=O)NCC(C)C)cc1	224199987	LZPAMJDAGRAYJH-FQEVSTJZSA-N	506.644	2.936	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)c2ccccc2)cc1OC	224296093	ZVOAEKPUNMGPJX-UHFFFAOYSA-N	603.719	2.879	0	40	KFAB	
Cc1cc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)ccc1Br	224374197	ADHYRJCLIDNAHX-UHFFFAOYSA-N	588.546	2.893	0	40	KFAB	
C/C=C(\C)C[C@H](/C=C(\C)[C@H](O)[C@H](C)/C=C(\C)[C@H](O)[C@H](C)/C=C/[C@H](O)C/C=C/[C@H](O)[C@@H](O)C(=O)O)C(=O)O	248297894	YKAQENKKQWMYFZ-MJWDCLLXSA-N	524.651	2.600	0	40	KFAB	biogenic,in-vitro
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C)c4ccc(Br)cc43)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1	409112818	CCZQEWJUCUBXOE-JDSGXEOOSA-N	628.501	2.933	0	40	KFAB	
Cc1ccc(OCCN(C)C(=O)[C@@H]2CCC(=O)N[C@H](Cc3ccccc3)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1	643580635	QPDWLKCNVQRFSP-URLMMPGGSA-N	600.716	2.989	0	40	KFAB	
C[C@H]1Cc2ccccc2N1C(=O)COC(=O)/C=C/c1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1	3269026	NYLCWEVWTNOQJC-KWJIGKFDSA-N	555.634	2.669	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(C(=O)NCc2nnc(SCC(=O)Nc3nccs3)n2-c2ccccc2)cc1	11852280	QECXUAUSKQFUKS-UHFFFAOYSA-N	557.683	2.635	0	40	KFAB	
COc1ccc(NC(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)cc1S(=O)(=O)N1CCCCC1	12861694	LBAZSBMDNLWUQC-CRICUBBOSA-N	520.652	2.945	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@@H](Oc2cccc(Oc3ccccc3)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	16321732	FFJCMQMRBBJWRR-QJJBCJIQSA-N	516.499	2.941	0	40	KFAB	
CCCCN(C(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	32994482	LPLKFMRAIKXTBF-UHFFFAOYSA-N	530.651	2.703	0	40	KFAB	
COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3cc(OC)ccc3OC)S(C)(=O)=O)cc2)c1	59888517	ZHBGREXEXUTYSD-UHFFFAOYSA-N	579.653	2.927	0	40	KFAB	
COc1ccc(Cc2nn([C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)c(=S)n(-c3ccc(OC)cc3)c2=O)cc1	82186646	GGRYTMHFAXMTQD-VLLGUPHNSA-N	685.708	2.627	0	40	KFAB	
CC(C)CN(C(=O)CN(C)C(=O)/C=C/c1ccc(Br)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	97980254	RNMHOKQWSIJTOF-DHZHZOJOSA-N	534.455	2.698	0	40	KFAB	
C[C@H]1N[C@]2(C(=O)N(CC(=O)N3CCc4ccccc43)c3ccccc32)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12	100164651	MWJXSRGNDPKFQC-WSXGHEPNSA-N	506.562	2.615	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O	140343962	OWWAPOWULXPMPA-UHFFFAOYSA-N	532.040	2.546	0	40	KFAB	
COCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1	222963849	PNSBJLVUXNUKJJ-HXUWFJFHSA-N	531.675	2.639	0	40	KFAB	
CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	224681109	SQDUGIPAMOBYEC-IBGZPJMESA-N	505.637	2.722	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225365998	ZVXQFHFSKVEJHQ-RBUKOAKNSA-N	533.647	2.564	0	40	KFAB	
COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1	225522347	UBHXORUSIHGVEA-SFHVURJKSA-N	509.650	2.730	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@H](NC(=S)Oc2cccc(Oc3ccccc3)c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	254624326	NSLNXOJKPCPSDD-DQUFFZNGSA-N	575.592	2.815	0	40	KFAB	
CN(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NC[C@H]1CCCO1)c1ccccc1)S(C)(=O)=O	260722473	OZQMLAUNTHCDDQ-GGAORHGYSA-N	508.040	2.597	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCC(=O)O)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	408833283	SVCHPPCAXQOUAW-AOLPSBPOSA-N	552.605	2.669	0	40	KFAB	
COCC12CCCCN(C(=O)c3cc(S(N)(=O)=O)ccc3OC)CCOc3ccccc3C(=O)N(CC1)CC2	643574989	HJNUCPNHJIFJCL-UHFFFAOYSA-N	559.685	2.917	0	40	KFAB	
CC(C)CCO[C@@H]1CN(C(=O)c2ccccc2F)CCN(C(=O)c2cccn2C)CCCCOC[C@@H](O)[C@H]1O	643586583	TUDAVXICYSODPY-ZONZVBGPSA-N	547.668	2.712	0	40	KFAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)Cn4nc(C(F)F)c(Br)c4C)[C@@H]3SC2)s1	2788285	FIOGMPMACJQLAP-WBMJQRKESA-N	595.473	2.582	0	40	KFAB	
CCOC(=O)C[C@]1(O)Oc2cc3c(cc2[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@@H]1C(=O)OCC)OCO3	5664474	MTMPILBIFFMRTK-PLXFJCCSSA-N	518.515	2.787	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@@H](C(=O)NC(C)(C)C)c3ccc(F)cc3)n2)cc1OC	6074478	MRZVECXFESVECI-HHHXNRCGSA-N	597.692	2.703	0	40	KFAB	
CCOCCCN(C(=O)Cn1nnc(-c2ccc(C)o2)n1)[C@H](C(=O)NC[C@H]1CCCO1)c1cccs1	6600097	RONXWPVSFDQTAT-GCJKJVERSA-N	516.624	2.595	0	40	KFAB	
CN(C(=O)CSc1nnc([C@@H]2COc3ccccc3O2)n1-c1ccccc1)[C@H]1CCS(=O)(=O)C1	13525207	PCMUHJRIVZKGJX-PXNSSMCTSA-N	500.602	2.517	0	40	KFAB	
C[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)C1=O	15940427	AWNBTEQHYVVFKZ-HSZRJFAPSA-N	504.996	2.920	0	40	KFAB	
C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@@H]1CC[C@@H]2[C@@]3(O)CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@]12C	17185292	QZTRRTOMKSKXLP-HFFVWMIESA-N	515.713	2.512	0	40	KFAB	
COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4ccccc4)CC3)cc2c1	19940656	GMYAKHDNHCYAPM-RCZVLFRGSA-N	501.591	2.614	0	40	KFAB	
CCC(C)(C)NC(=O)[C@@H](c1cccc(OC)c1)N(CCN1CCOCC1)C(=O)Cn1nnc2ccccc21	20109313	WSKCMPLGGGUMJE-AREMUKBSSA-N	522.650	2.647	0	40	KFAB	
CN(c1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)c1)S(C)(=O)=O	20493471	YJDGOCBBSWDSOG-UHFFFAOYSA-N	500.042	2.916	0	40	KFAB	
COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1S(=O)(=O)N1CCCCC1	30864598	ATOSFZAIGREMEC-UHFFFAOYSA-N	527.690	2.971	0	40	KFAB	
CC(C)CN(C(=O)CN(C)C(=O)/C=C/c1ccc(C(F)(F)F)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	32971963	LLVKQWAYIJGHSG-DHZHZOJOSA-N	523.556	2.954	0	40	KFAB	
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(OC)c(OC)c3)S(C)(=O)=O)cc2)cc1	59858645	NKXVDFBTIXSSDX-UHFFFAOYSA-N	549.627	2.918	0	40	KFAB	
Cc1cc(=O)oc2cc(NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CNC(=O)OCc3ccccc3)ccc12	71788396	WWRUTMQQQWGCPG-QFIPXVFZSA-N	536.585	2.613	0	40	KFAB	
CC(=O)Nc1ccc(N2C(=O)[C@H]3[C@H](C)N[C@]4(C(=O)N(CC(=O)N5CCc6ccccc65)c5ccccc54)[C@@H]3C2=O)cc1	98006381	DWYLCFZEMJWYFF-PYOVZCJQSA-N	563.614	2.574	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	261049508	ZVXQFHFSKVEJHQ-MOPGFXCFSA-N	533.647	2.564	0	40	KFAB	
CCc1noc(CCC(=O)N2CCCCNC(=O)c3cc(Cl)ccc3OC[C@H](C(C)C)NC(=O)C2)n1	643556897	RSLOGNWAJRIVPO-LJQANCHMSA-N	520.030	2.790	0	40	KFAB	
CC1(C)NC(=O)C[C@@H](C(=O)NCC(C)(C)c2ccc(F)cc2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC1=O	643576042	FRLLOHSFVGAIKT-VMPREFPWSA-N	673.786	2.929	0	40	KFAB	
CC(C)N1CCOCCOc2ccc(C(=O)N3CCN(S(C)(=O)=O)CC3)cc2Cc2cccc(c2)C1	643580643	YXEUXOMBVDMNKY-UHFFFAOYSA-N	515.676	2.614	0	40	KFAB	
CC(C)(C)NC(=O)[C@@H](c1ccc(O)cc1)N(C[C@@H]1CCCO1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1	6074564	WGFLXRCZQQGXMX-JTHBVZDNSA-N	510.570	2.848	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3OC)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	6488920	KUNXZDXYCPUDJW-SEXPAEGTSA-N	524.595	2.833	0	40	KFAB	
COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCC2)c2ccco2)c(OC)c1	6924553	LHTTVZBDMCPRMO-HXUWFJFHSA-N	513.576	2.881	0	40	KFAB	
S=C1N(CN2CCOCC2)[C@@H](c2ccccc2)N2C(=S)N(CN3CCOCC3)[C@@H](c3ccccc3)N12	15022646	MOOFEOPIZZORPP-DNQXCXABSA-N	524.716	2.683	0	40	KFAB	
CCOC(=O)[C@H]1C(c2ccc(OC)cc2)[C@H](C(=O)OCC)[C@](O)(C(F)(F)F)O[C@]1(O)C(F)(F)F	16930473	ZWCDTIWOHIYUPI-MPHVTYKXSA-N	504.376	2.669	0	40	KFAB	
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O	70706927	QHVMQTKFXOUXCO-KMDXXIMOSA-N	536.629	2.620	0	40	KFAB	biogenic
CCCOc1ccc(C(=O)CCC(=O)OCC(=O)N(CC)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1	95604835	KCPVLBCQKTUHOD-UHFFFAOYSA-N	536.585	2.515	0	40	KFAB	
Cn1c(=O)c2c(nc(SCc3nc(N)nc(N4CCCCC4)n3)n2Cc2cccc(C(F)(F)F)c2)n(C)c1=O	98007086	WRCZNOAMPBLCNS-UHFFFAOYSA-N	561.594	2.551	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O	222968149	JMNHGKOTOCHZHG-QGZVFWFLSA-N	507.584	2.654	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C)cc1	224470718	RBFZFXRVOVYJDA-KRWDZBQOSA-N	511.591	2.929	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	225404149	KGUVCDLTCYHWIB-RBUKOAKNSA-N	533.647	2.912	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O	225505622	VAGHVJCTQYKGSL-VWLOTQADSA-N	509.628	2.847	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1ccc(C)cc1)[C@H](C)C(=O)NC(C)C)c1ccc2c(c1)OCCO2	260717017	FFUGWYQFDDDELL-HXUWFJFHSA-N	517.648	2.864	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccc(Br)cc43)c(=O)n2[C@H]1c1cc(OC)ccc1OC	409115228	JQCWDJAGOLIAAI-AGGMBTAESA-N	584.448	2.900	0	40	KFAB	
CCCC1=C(C(=O)OCC)[C@@H](c2ccc3c(c2)OCO3)n2c(s/c(=C3/C(=O)N(CC(=O)OCC)c4ccccc43)c2=O)=N1	409387284	IEBSMKIISFSBHP-GAPOMRBKSA-N	603.653	2.587	0	40	KFAB	
Cc1nc(N)nc(O)c1CC(=O)N1CCC2(CCCCc3ccccc3OC[C@@H]3CCCN3C2=O)CC1	643557103	CSJZDZDDBRHEIW-NRFANRHFSA-N	507.635	3.021	0	40	KFAB	
O=C1NCCCCC2(CCN(Cc3cnc(N4CCOCC4)s3)CC2)C(=O)NCCOc2ccccc21	643566012	NPKSEMPDJLDFTO-UHFFFAOYSA-N	527.691	2.671	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)o3)c(=O)n2[C@H]1c1ccc(OCC)cc1	669419	DOVWSTJUAWABGU-RTWFUWSXSA-N	523.611	2.627	0	40	KFAB	
CCC(=O)OCCN1C(=O)c2ccc(Oc3ccc4c(c3)C(=O)N(CCOC(=O)CC)C4=O)cc2C1=O	828981	USPTZJSSRZOMTE-UHFFFAOYSA-N	508.483	2.577	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCN(C(=O)COc3cc(C)cc4oc(=O)c5c(c34)CCC5)CC2)cc1	2384918	DNRSTPFDFCQECY-UHFFFAOYSA-N	512.584	2.511	0	40	KFAB	
CCS[C@H]1[C@@H](OC(C)=O)[C@H]([C@@H](COC(C)=O)OC(C)=O)O[C@@H]1n1cnc2c(Cl)nc(Cl)nc21	5120792	ZHGZDYNKUOXKLU-ACDVHTNFSA-N	521.379	2.579	0	40	KFAB	
CC[C@@H](C)n1c(SCC(=O)NCc2ccco2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1	8670692	FJQAOLQUFRELET-QGZVFWFLSA-N	519.649	2.939	0	40	KFAB	
CCOC(=O)c1cc(NCc2cc(Br)c(OCC(N)=O)c(OC)c2)ccc1N1CCOCC1	9907736	MLJHFECKHARSKB-UHFFFAOYSA-N	522.396	2.947	0	40	KFAB	
COc1ccccc1C(=O)N[C@H](CCSC)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1	12637315	VXQPCAJQGLDGLN-HXUWFJFHSA-N	521.661	2.515	0	40	KFAB	
CCOc1cc(CNCCCSc2nnnn2-c2ccccc2)cc(Br)c1OCC(N)=O	16688327	AECHNZJUXNTTBV-UHFFFAOYSA-N	521.441	2.960	0	40	KFAB	
COc1ccc(CN(Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C(=S)NCCCN2CCOCC2)cc1	19940512	CCPIVSPOIZKZCD-UHFFFAOYSA-N	524.643	2.864	0	40	KFAB	
CC(C)CN(C(=O)COC(=O)CCc1nc2ccccc2s1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	38139566	DHZPSGCMYHSCCS-UHFFFAOYSA-N	535.626	2.942	0	40	KFAB	
CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1	59928859	MTRVRDLAZWNIDZ-UHFFFAOYSA-N	524.020	2.971	0	40	KFAB	
COc1ccccc1N1CCN(C[C@@H](O)CN2C(=O)[C@H]3C4c5ccccc5C(C(C)=O)(c5ccccc54)[C@H]3C2=O)CC1	68606183	BSKCHUWGIPJEQQ-WSKINRHYSA-N	565.670	2.814	0	40	KFAB	
COC(=O)[C@@]1(CCSC)N[C@H](c2ccc(OC)cc2OC)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21	100422231	MVRMFYUVGCIKMK-TZKYFUQOSA-N	542.610	2.590	0	40	KFAB	
CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O	223474699	ZVOHAKKHZAAWKH-FQEVSTJZSA-N	510.454	2.811	0	40	KFAB	
CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	224869982	ZAAIATCTZGEDCD-SFHVURJKSA-N	521.611	2.697	0	40	KFAB	
CC[C@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)C[C@H]2CCCO2)cc1	245230451	RYOGQSCHULUCMJ-AZUAARDMSA-N	509.650	2.572	0	40	KFAB	
CCC(=O)O[C@@H]1[C@@H](N(C)C)C[C@@H](C)O[C@@H]1O[C@@H]1[C@@H](C)[C@H](O[C@H]2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[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@@]1(C)O	253387813	TYQXKHPOXXXCTP-NVVCIWGWSA-N	790.001	2.747	0	40	KFAB	
COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)c(OC)c2)C1	408597993	YOCCOXHXLKARBL-OAHLLOKOSA-N	522.576	2.547	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(F)cc1	408780984	PEBCAHMCBIJTQS-QCHPHUCNSA-N	510.543	2.871	0	40	KFAB	
CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(I)c(OCC(=O)OC)c(OC)c2)C1=O	409020547	QJZCVGHMHIWHOC-CEITULEQSA-N	549.339	2.840	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br	409174174	LTKHCGXPONOJJU-KXAYOSJRSA-N	716.607	2.824	0	40	KFAB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(O[C@@H](C)C(=O)O)cc3Br)C2=O)o1	409399393	HVVBJJLRFZSDJH-PJJXNUOTSA-N	523.292	2.782	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OCCCn3ccnc3)c(OC)c2)C[C@](O)(COc2cc(F)cc(F)c2)C1	585275148	YIGLSFKTDGUSIR-GDLZYMKVSA-N	574.625	2.740	0	40	KFAB	
COc1ccc(CN2CCN(C(C)=O)C[C@](O)(COc3ccc(F)cc3)C2)cc1OCCn1cccn1	585280829	TVJANRIZQLVRDL-MHZLTWQESA-N	512.582	2.584	0	40	KFAB	
CC[C@H](C)[C@@H]1NC(=O)C[C@@H](C(=O)NCc2ccc(CN3CCOCC3)cc2)NC(=O)c2ccccc2OC[C@H](CC(C)C)NC1=O	643566540	ZQEZCMZAXJLPGR-GTYSWFEHSA-N	635.806	2.778	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3/C(=O)N(CC)c4ccccc43)c(=O)n2[C@@H]1c1ccc(OC)cc1	728894	MRZDUUHSMSJREB-HOGKFDNTSA-N	503.580	2.544	0	40	KFAB	
CCOCCCN(C(=O)Cn1nnc(-c2ccc(OC)cc2)n1)[C@H](C(=O)NC[C@H]1CCCO1)c1ccc(F)cc1	6600061	HJGONAHAGVEMGQ-RSXGOPAZSA-N	554.623	2.780	0	40	KFAB	
CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)NC1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1	13565706	LZEBITBPHWWJRZ-OAQYLSRUSA-N	515.529	2.861	0	40	KFAB	
CCOc1ccc(OCCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1	15940851	LGWBYGSBDPFLKJ-UHFFFAOYSA-N	510.996	2.584	0	40	KFAB	
COCCn1nnnc1[C@@H](c1cc2cccc(C)c2[nH]c1=O)N1CCN(c2nc3ccccc3s2)CC1	19973054	KWNSYWJJINQSBP-HSZRJFAPSA-N	516.631	2.991	0	40	KFAB	
CC(C)CN(C(=O)CN(C)C(=O)/C=C/c1cccc(C(F)(F)F)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	32972009	OIILIJYCRWKAGP-MDZDMXLPSA-N	523.556	2.954	0	40	KFAB	
CCOC(=O)CN(CCCN(CC(=O)OCC)S(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1	68604858	WRYCLDNBEIPXFK-UHFFFAOYSA-N	554.687	2.501	0	40	KFAB	
COc1ccc(OC)c(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccc(C)cc5)sc4n3)CC2)c1	102350043	LCKLWMXWBUFRMP-UHFFFAOYSA-N	541.655	2.650	0	40	KFAB	
C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2nc3cc(Cl)ccc3c(=O)n2C[C@H]2CCCO2)C1=O	103122843	MGWIOWWBLBJHRI-NSYGIPOTSA-N	542.017	2.819	0	40	KFAB	
CSc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3C(=O)N3CCOCC3)CC2)cc1	113955556	XLWMRALLYPNRMV-UHFFFAOYSA-N	503.646	2.920	0	40	KFAB	
C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222703081	BYNORLGVCZMMLN-QFIPXVFZSA-N	595.674	2.549	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O	223224866	YOILVSVUALOBQU-SANMLTNESA-N	523.655	2.843	0	40	KFAB	
COc1ccc(-c2noc(CN(C)S(=O)(=O)c3nnc(NC(=O)c4cccc(C)c4)s3)n2)cc1	223786975	IBOLXQKZAJSLEP-UHFFFAOYSA-N	500.562	2.978	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	224994194	SNJAURUCWLFHEG-RTBURBONSA-N	503.621	2.556	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	225537899	GURYQTPZCTXLRM-XMMPIXPASA-N	537.638	2.876	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1ccccc1C)[C@H](C)C(=O)NC(C)C)c1ccc2c(c1)OCO2	260740695	MRGZEPSQZFQZJJ-LJQANCHMSA-N	503.621	2.822	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)Cc2ccccc2)cc1Cl	408582884	FPXPWAVUJQZKTO-UHFFFAOYSA-N	524.020	2.826	0	40	KFAB	
NS(=O)(=O)c1ccc(NC(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(Cl)cc2)cc1	409056681	HVOIJDVFGYZSMQ-UHFFFAOYSA-N	511.984	2.956	0	40	KFAB	
CNS(=O)(=O)c1ccc(CCC(=O)N2CCOc3ccccc3Oc3ncccc3C(=O)N(C)CC2)cc1	643567215	VEXZEOFXNKCPLX-UHFFFAOYSA-N	538.626	2.708	0	40	KFAB	
COc1ccccc1C[C@@]1(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)C(=O)NC(=O)N(c2ccccc2)C1=O	2139302	BOCSJCZQQYABHK-OIPNOHFQSA-N	526.593	2.788	0	40	KFAB	biogenic
COCCNC(=O)[C@@H](c1ccc2ncccc2c1)N(Cc1ccc(OC)cc1)C(=O)c1snc(C(N)=O)c1N	6136195	VIZJMBMIMHTOJW-HSZRJFAPSA-N	548.625	2.527	0	40	KFAB	
CCOC(=O)c1sc(NC(=O)Cn2c(-n3nc(C)cc3C)nc(CC)cc2=O)c(C(=O)OCC)c1C	8768944	USIBIJGUNNRSGE-UHFFFAOYSA-N	515.592	2.970	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)C2)cc1	26111148	SNVZDFMKIKJTLZ-IBGZPJMESA-N	521.661	2.909	0	40	KFAB	
COc1ccc(-c2coc3cc(O[C@@H]4O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)cc(OC(C)=O)c3c2=O)cc1	79204450	XHCIZLWHEPIQDR-GEBXWWPGSA-N	656.593	2.856	0	40	KFAB	biogenic
CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O	222554540	CYURRMCYVSSIRS-CQSZACIVSA-N	502.420	2.931	0	40	KFAB	
COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCCSc2nc(-c3ccccc3)n[nH]2)C1	222623945	XJYZLLZUJSNVQT-QGZVFWFLSA-N	519.624	2.929	0	40	KFAB	
COCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1	222720288	YIIGPLJHZHBSAV-NRFANRHFSA-N	501.649	2.584	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)NC(C)(C)C)c1ccc2c(c1)OCCO2	223119631	OBSQVIMRDJMSRK-FQEVSTJZSA-N	531.675	2.988	0	40	KFAB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)c(OCC(=O)O)c(OC)c4)c(=O)n32)cc1OCC	408933426	JMYFTPAPXYXAFE-QJWUKVPRSA-N	603.049	2.941	0	40	KFAB	
CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCC(=O)OC)c(I)c2)C1=O	409010986	FBJLXDVBTUAGPA-WWNSAXIVSA-N	519.313	2.831	0	40	KFAB	
COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)OCO4)c(=O)n2[C@H]1c1ccccc1OC(C)C	409011596	GNUJOZMNRSGARI-ZDGAQAAHSA-N	536.606	2.941	0	40	KFAB	
O=C(N[C@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1ccc(C2CCCCC2)cc1)C(Cl)(Cl)Cl	575423707	QALWPOSDAWLXDF-HOTGVXAUSA-N	517.884	2.665	0	40	KFAB	
O=C(C[C@@H]1CCN2C[C@@H]1C=CCOc1ccccc1CN(Cc1cccnc1)CC2=O)N1CCOCC1	958317850	STIBXUCVOVUEMP-DQEYMECFSA-N	504.631	2.746	0	40	KFAB	
CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2CC[C@@]3(C)[C@H]2[C@@H](O)C[C@H]2[C@]4(C)CC[C@@H](O)C(C)(C)[C@H]4[C@H](O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)C[C@@]23C)O1	1529054699	PSOUXXNNRFNUAY-YZXIMXKOSA-N	654.882	2.507	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC	665446	BIFPIFLIZPBHNY-YMSBRDKKSA-N	522.579	2.741	0	40	KFAB	
CCOc1ccc(N(CC(=O)NCCCN2CCCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	10450106	GJARMOLFWDBUTA-UHFFFAOYSA-N	505.637	2.900	0	40	KFAB	
COc1ccc(C(=O)Cn2nnc(-c3ccccc3NS(=O)(=O)c3ccc(NC(C)=O)cc3)n2)cc1	12485198	FVOXYIQOZKCNIO-UHFFFAOYSA-N	506.544	2.991	0	40	KFAB	
C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NCCOC(=O)C34CC5CC(CC(C5)C3)C4)c2)C[C@@H](C)O1	12496311	HHKDZMXFHKQKGN-FQXADJFYSA-N	504.649	2.974	0	40	KFAB	
COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(C)c2)cc1	12711403	GRJXCCVUXJOTMJ-KNQAVFIVSA-N	523.615	2.825	0	40	KFAB	
Cc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(F)cc2)o1	12715071	RZLNUPXEWRAQCG-DNVCBOLYSA-N	501.540	2.548	0	40	KFAB	
COc1ccc([C@H](C(=O)NCc2ccccc2)N(C(=O)c2snc(C(N)=O)c2N)C2CCCC2)cc1O	12716718	QUTJGHJINDWREB-JOCHJYFZSA-N	523.615	2.981	0	40	KFAB	
Cc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)[C@H](C(=O)NC[C@H]3CCCO3)c3ccco3)n2)o1	12716761	WMSORWXFVJMXLR-VGSWGCGISA-N	510.576	2.961	0	40	KFAB	
COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CCN(C(=O)c4ccco4)CC3)cc2c1	19940628	ISVWHEUKGSGEBI-HSZRJFAPSA-N	503.563	2.779	0	40	KFAB	
COC(=O)[C@@]1(CCSC)N[C@H](c2ccc(OC)cc2OC)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21	20150596	WVBQHKKDSUDZBV-QDMVCWPOSA-N	502.564	2.958	0	40	KFAB	
CCOC(=O)c1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(OC)cc3)c(=O)[nH]2)cc1	46016407	HYLQQQLBVQWOCG-UHFFFAOYSA-N	503.558	2.519	0	40	KFAB	
CCN1C(=O)/C(=c2\sc3nc(-c4cc(OC)c(OC)c(OC)c4)nn3c2=O)c2cc(Br)ccc21	97946714	JZOFILMYDYWCEO-ZPHPHTNESA-N	543.399	2.891	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)c2)cc1	103023067	QLPOZAXGNIYYJP-UHFFFAOYSA-N	546.646	2.839	0	40	KFAB	
O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)COC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1	103101115	BIHUPWCIIFSNBF-UHFFFAOYSA-N	592.692	2.619	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O	222748096	DYYOBVRGMBPNKE-CQSZACIVSA-N	502.420	2.931	0	40	KFAB	
COC(=O)CSc1nnc(NS(=O)(=O)c2ccc(SC)c(C(=O)N3CCCCC3)c2)s1	223262939	GHJNEILNNTXAPI-UHFFFAOYSA-N	502.665	2.952	0	40	KFAB	
Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1	224319303	WWLXTQHXQOHYHU-UHFFFAOYSA-N	549.715	2.517	0	40	KFAB	
CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	224336602	CDZJLKKJYQHJHM-FQEVSTJZSA-N	524.039	2.821	0	40	KFAB	
CC(=O)c1cccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c1	225685779	LHFIDBVUILYZKP-SFHVURJKSA-N	505.612	2.984	0	40	KFAB	
COc1cccc(CN2CC(=O)N3CC[C@@H](CC(=O)N4CCN(C=O)CC4)[C@@H](/C=C\COc4ccccc4C2)C3)c1	253396174	DFXVLYQGISCCNV-UEQBXTKZSA-N	560.695	2.801	0	40	KFAB	
CN1CCN(C(=O)C[C@]2(COc3cccc(Cl)c3)CCCN(C(=O)CN3CCCCCC3=O)C2)CC1	257207040	BGCCBWSUTABZQV-HHHXNRCGSA-N	519.086	2.894	0	40	KFAB	
CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(C)N=3)cc1OC	408921300	BNLHTXUKEMVUKW-IBYCJETLSA-N	566.632	2.757	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3/C(=O)N(C(C)C)c4ccccc43)c(=O)n2[C@@H]1c1ccc(OC)cc1	409162361	UTNYLRHYYFHZDK-ZHHPLPSFSA-N	517.607	2.932	0	40	KFAB	
Cc1cc(OC[C@]2(CC(=O)N3CCOCC3)CN(C(=O)CCCn3ccnc3)CCO2)ccc1Cl	585287065	SEAYPXIXQRYRAR-VWLOTQADSA-N	505.015	2.551	0	40	KFAB	
CC(C)[C@H]1NC(=O)CC[C@@H](C(=O)NC[C@@H]2CC[C@H]3C[C@H]2C3(C)C)NC(=O)c2ccccc2OC[C@H](C)NC1=O	643564972	PYVBEXLOPRATGM-RKIALLGZSA-N	540.705	2.792	0	40	KFAB	
CC(C)[C@H]1NC(=O)CC[C@@H](C(=O)NCC(C)(C)c2ccc(F)cc2)NC(=O)c2ccccc2OCCN(C)C1=O	643569196	MLTNBEJWSCPIQC-JYFHCDHNSA-N	554.663	2.790	0	40	KFAB	
O=C(Cc1ccccc1)N1CCCCC2(CCN(Cc3ccccn3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1	643580366	DQEANIFUMRONNE-IZZNHLLZSA-N	509.647	2.574	0	40	KFAB	
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCOCCOCCOCCOCCNC(=O)O[C@H]1CCC=CCCC1	888086794	OADGBCNDNVFPDA-XLXZRNDBSA-N	614.806	2.510	0	40	KFAB	
COc1ccc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(C)cc2)c(OC)c1	930497	ZJNXSGGORSDLHM-UHFFFAOYSA-N	509.588	2.538	0	40	KFAB	
Cc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)S(C)(=O)=O)cc1C	20489740	AUSYEFNSIGRBNP-QGZVFWFLSA-N	503.606	2.687	0	40	KFAB	
O=C(c1cccc(S(=O)(=O)N2CCCCC2)c1)N1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CC1	33358436	BQXFSUMHJXJZIZ-UHFFFAOYSA-N	588.752	2.634	0	40	KFAB	
CCOc1ccc(NC(=O)CSc2ccc3nnc(CCNS(=O)(=O)c4ccc(OC)cc4)n3n2)cc1	100928617	RDYRIDIPZFHZIP-UHFFFAOYSA-N	542.643	2.783	0	40	KFAB	
CCOC(=O)CC[C@H](NC(=O)c1ccc(N(C)Cc2cnc3nc(NC(C)=O)cc(NC(C)=O)c3n2)cc1)C(=O)OCC	105236656	LNLBRTNRDASJJQ-QFIPXVFZSA-N	593.641	2.583	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN(c3ccc(Cl)c(C(F)(F)F)c3)S(C)(=O)=O)CC2)cc1	113633426	BUPHCEHRLFKJEE-UHFFFAOYSA-N	554.012	2.966	0	40	KFAB	
CCOC(=O)c1oc2cc(O[C@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)ccc2c(=O)c1-c1cscn1	150419177	SFBDPQSPXMSRAI-QSRUZSTBSA-N	647.611	2.555	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C	222759737	YDHLVNMIQJEOPV-HNNXBMFYSA-N	501.436	2.770	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	223756680	ADZPIFWKZCZYQW-KRWDZBQOSA-N	524.039	2.821	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O	224024872	DQHROBFVGKFVLY-MRXNPFEDSA-N	512.028	2.677	0	40	KFAB	
COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1S(=O)(=O)N1CCCCC1	225470741	WELQIEFLFDQIPP-UHFFFAOYSA-N	521.661	2.909	0	40	KFAB	
CC(C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225473999	PIOLUKJDWRJXFV-FQEVSTJZSA-N	517.648	2.946	0	40	KFAB	
CCc1cc2c(=O)c(-c3nc(C)cs3)coc2cc1O[C@@H](C)C(=O)N[C@@H](CCCNC(N)=O)C(=O)O	256027865	HALZLNPMUVRHCC-GUYCJALGSA-N	516.576	2.573	0	40	KFAB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OC(C)=O)c(I)c3)C2=O)o1	409399754	LLBPSWVADGQAAI-ZSOIEALJSA-N	510.240	2.689	0	40	KFAB	
CC(C)C[C@H]1NC(=O)CC[C@@H](C(=O)N2CCC(Oc3ccc(F)cc3)CC2)NC(=O)c2ccccc2OCCNC1=O	643565460	ZRYGYEOFONGADN-IZZNHLLZSA-N	582.673	2.814	0	40	KFAB	
CN1C(=O)[C@H](Cc2ccccc2)NC(=O)CC[C@@H](C(=O)O)NC(=O)c2ccccc2OC[C@H]1Cc1ccccc1	643568641	BGYRMLOZEDEIPM-AFESJLNVSA-N	543.620	2.839	0	40	KFAB	
COCC(=O)Nc1nc2c(s1)C[C@H]1[C@@](C)(CC[C@@H](O)[C@@]1(C)CO)[C@@H]2CC(=O)NCc1ccc(OC)cc1	3841104	MSGYHBDZTVKRAG-BWSFKYGTSA-N	531.675	2.859	0	40	KFAB	biogenic,in-vitro
O=C(Cn1c(=O)c2sccc2n(CC(=O)Nc2ccc(Br)cc2)c1=O)NCc1ccco1	33357757	BLAJWMDOVWPUPX-UHFFFAOYSA-N	517.361	2.535	0	40	KFAB	
O=C(CNC(=O)OCc1ccccc1)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1	104147944	KUIZZINTBYEAGE-AREMUKBSSA-N	542.592	2.981	0	40	KFAB	
COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CN(S(C)(=O)=O)c4ccccc4O3)cc2)c1	139698470	CPSOEBAUHPOTFE-HSZRJFAPSA-N	547.611	2.670	0	40	KFAB	
Cn1c([C@H](C(=O)NC[C@@H]2CCCO2)N(Cc2ccc3c(c2)OCO3)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)nc2ccccc21	150384290	KUTRYFNHFDSVRM-KCWXNJEJSA-N	645.694	2.512	0	40	KFAB	
O=C(NCCc1ccccc1)[C@@H]1CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)c2ccccc2O1	222832322	GODJSFMHKSOVCE-MHZLTWQESA-N	600.093	2.893	0	40	KFAB	
CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	222880305	UQVPQWKZXHDYEU-QFIPXVFZSA-N	533.647	2.564	0	40	KFAB	
O=C(NCCN1CCOCC1)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	223082164	GKBBQPSOSHABIV-YTTGMZPUSA-N	685.243	2.828	0	40	KFAB	
CCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OCC)cc1)S(C)(=O)=O	224568931	CVOKTJQDCPXJDP-HSZRJFAPSA-N	505.637	2.803	0	40	KFAB	
COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1	226047596	RLQZAGOOMDQNSQ-UHFFFAOYSA-N	570.133	2.893	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCc3ccc(S(=O)(=O)N4CCCC4)cc3)C2)cc1	226088366	MTVFTIKNCANHTD-JOCHJYFZSA-N	519.689	2.539	0	40	KFAB	
CCOC(=O)CCC(=O)O[C@@H]1[C@@H](N(C)C)C[C@@H](C)O[C@@H]1O[C@H]1[C@@H](C)[C@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[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@@]1(C)O	253387649	NSYZCCDSJNWWJL-XIJDFHFDSA-N	862.064	2.680	0	40	KFAB	
CC(C)=C[C@@H]1C[C@](C)(O)[C@@H]2[C@@H]3CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@@H]7O)[C@@H]6O)C(C)(C)[C@H]5CC[C@]4(C)[C@@]34CO[C@@]2(C4)O1	253590544	ZQOWXUBGLKIVHR-OQOGFWOTSA-N	736.940	2.782	0	40	KFAB	biogenic
CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)cc1Cl	408609452	SZXIBQIHSCKALC-GFCCVEGCSA-N	500.957	2.848	0	40	KFAB	
CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3cc(I)c(OCC(=O)OC)c(OC)c3)c2=O)=N1	409041425	VUQNKZCDLDEHJO-BXDIUNCMSA-N	648.475	2.963	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCCC4)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	409172819	FWMFGZLPICOVEI-RBXKPUFLSA-N	591.686	2.817	0	40	KFAB	
CCN1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N[C@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)COc2ccccc2C(=O)N1	643584554	QFBKTBSMVJEUFV-MFYWSIJSSA-N	571.763	2.572	0	40	KFAB	
C[C@H](OC(=O)[C@H](C)Oc1ccc(-c2coc3cc(O[C@H](C)C(=O)O[C@H](C)C(=O)O)c(O[C@H](C)C(=O)O[C@H](C)C(=O)O)cc3c2=O)cc1)C(=O)O	725395250	XUAMFDSEHVKHRD-SWAOIJHYSA-N	702.618	2.811	0	40	KFAB	
COc1ccc(NCC(=O)Nn2c(C)nc3ccc(S(=O)(=O)Nc4ccc(OC)cc4)cc3c2=O)cc1	1651071	VVFMQFQZTIEHIJ-UHFFFAOYSA-N	523.571	2.705	0	40	KFAB	
O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1nn(Cc2ccccc2)c(=O)c2ccccc12	3220828	NZQCZPDHFPEDPD-UHFFFAOYSA-N	504.568	2.718	0	40	KFAB	
COc1cc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCC2)c2ccco2)ccc1S(=O)(=O)N1CCOCC1	6907004	PWODLSCZIIQJOS-LJAQVGFWSA-N	622.704	2.887	0	40	KFAB	
Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)N(C)C)CC3)cc2)cc1Cl	10324506	BASDQWQBVLCHSG-UHFFFAOYSA-N	515.057	2.906	0	40	KFAB	
Cc1c(C)c2c(OCC(=O)N[C@@H](CC(C)C)C(=O)NCCCO)cc3c(c2oc1=O)CCC(C)(C)O3	12895036	BUHGESUQWHDKQF-IBGZPJMESA-N	502.608	2.922	0	40	KFAB	biogenic
COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1	59838540	AJECLLNTZPTERM-UHFFFAOYSA-N	535.688	2.505	0	40	KFAB	
CCOC(=O)c1oc2cc(O[C@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)ccc2c(=O)c1-c1ccc2c(c1)OCCO2	79183271	CONXBBMDYHPWGK-LTZFKYGNSA-N	698.630	2.870	0	40	KFAB	
COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)N3CCSCC3)c(=O)cc1[C@@H](NC(C)=O)CC2	96222355	IDEHXXKTERPXLT-FQEVSTJZSA-N	527.643	2.850	0	40	KFAB	biogenic
CCC[C@@H](C(=O)NC1CCCCC1)N(CCCN1CCOCC1)C(=O)C[S@@](=O)CC(=O)Nc1ccc(C)cc1	100331168	YBGQAVUONAYUOD-URLZHGEESA-N	562.777	2.851	0	40	KFAB	
CCOC(=O)[C@H]1[C@@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C\c3ccc(OC(F)F)c(OC)c3)c(=O)n12	100935966	PRFFIEARIFXACY-YIGSSFPPSA-N	516.522	2.859	0	40	KFAB	
O=C(COC(=O)CN1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccccc3F)cc2C1=O)Nc1ccccc1F	101089791	GWQIFJGEUYNQIV-UHFFFAOYSA-N	551.458	2.538	0	40	KFAB	
CC(C)C[C@H](NS(=O)(=O)c1ccc2c(c1)Cc1cc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)O)ccc1-2)C(=O)O	102415435	GXLCCLMGUIGJQP-GOTSBHOMSA-N	552.671	2.813	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	222721184	IQHJYWVWNPEDCG-CQSZACIVSA-N	519.426	2.909	0	40	KFAB	
COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NCc2ccccc2OC)cc1	223256885	SRQNOCIYHUNBPU-SANMLTNESA-N	553.681	2.852	0	40	KFAB	
COC(=O)CSc1nnc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccc(OC)cc3)c3cc(C)ccc3O2)s1	223659601	MKMMFEQTWQRGLM-GOSISDBHSA-N	550.640	2.715	0	40	KFAB	
COc1ccc(OC)c(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c1	224087593	MMTRYLQDKIYXDG-IBGZPJMESA-N	505.637	2.659	0	40	KFAB	
COc1ccc(OC)c(N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c1	224089045	QQMNYHMYJIPXHN-FQEVSTJZSA-N	531.675	2.988	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O	225428322	DVEWDNWDOQQVGT-HNNXBMFYSA-N	514.417	2.826	0	40	KFAB	
CC1CCC(N2CCN3C(=O)c4ccccc4OCC[C@@H]4CC[C@@H](NC(=O)NC(C)C)[C@@H](CNC(=O)[C@@H]3C2)O4)CC1	253400752	LRTMONLCKBMVLH-QTASISESSA-N	569.747	2.914	0	40	KFAB	
CO[C@H]1[C@@H](O)C[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]1C	253981623	IYJMSDVSVHDVGT-GRWRIWOCSA-N	794.976	2.872	0	40	KFAB	
CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(F)c(F)c1	408695199	NDTGZCMKXAQSLJ-UHFFFAOYSA-N	501.577	2.934	0	40	KFAB	
CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)ccc1OCC(=O)O	409011739	IFTWMGZTYGOPSI-PXLXIMEGSA-N	525.583	2.934	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409034933	IOCAHYROFQWIJR-WDONWYDGSA-N	536.606	2.749	0	40	KFAB	
COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(I)c(OCC(=O)O)c(I)c2)C1=O	409072537	VUXOOXSASSLHAL-IGCGCMMHSA-N	617.155	2.957	0	40	KFAB	
CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)N1CCOCC1	409194326	KAEGDDUJQPSIFQ-FMCGGJTJSA-N	569.592	2.727	0	40	KFAB	
CC(=O)N1CCN(CC2(O)CCN(c3ccccc3F)CC2)C[C@@](O)(COc2ccc(F)c(C)c2)C1	585283063	PFVHNAIMXJQRLL-MHZLTWQESA-N	503.590	2.579	0	40	KFAB	
C[C@H](CCCOS(=O)(=O)O)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OS(=O)(=O)O)[C@]12C)[C@@]1(C)CC[C@@H](OS(=O)(=O)O)C[C@@H]1C[C@H]3OS(=O)(=O)O	585658372	PSPMMBBPCMUWKR-UGEBJGDWSA-N	714.852	2.665	0	40	KFAB	in-vitro
O=C1C[C@@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)NC(=O)c2ccccc2OC[C@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)N1	643566091	PRSYYEXEFLSPAW-RDAHNBDFSA-N	672.754	2.995	0	40	KFAB	
CC(C)CNC(=O)[C@@H]1CCC(=O)N[C@@H](CC(C)C)C(=O)NCCCCCCOc2ccccc2C(=O)N1	1615160950	RUXSUKBTLRTWNI-GOTSBHOMSA-N	516.683	2.937	0	40	KFAB	
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H]2NC(=O)[C@H](Cc3ccccc3)NC(=O)C3(CC=CC[C@@H]2C1)CCOCC3	2037829074	ZARIYBKMVOBWHH-BHSUFKTOSA-N	600.760	2.941	0	40	KFAB	
Cc1cccc(OC[C@H](O)Cn2c(N3CCC(Cc4ccccc4)CC3)nc3c2c(=O)[nH]c(=O)n3C)c1	9110787	CGWNHZHCKQGTCY-JOCHJYFZSA-N	503.603	2.631	0	40	KFAB	
O=C(NCCNC(=O)/C(=C\c1ccco1)NC(=O)c1ccco1)/C(=C\c1ccco1)NC(=O)c1ccco1	9449814	JRRKMJUXRUFFHS-MXWIWYRXSA-N	518.482	2.533	0	40	KFAB	
S=C1N(CN2CCOCC2)[C@H](c2ccccc2)N2C(=S)N(CN3CCOCC3)[C@H](c3ccccc3)N12	15022642	MOOFEOPIZZORPP-ZEQRLZLVSA-N	524.716	2.683	0	40	KFAB	
CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)CN2C(=O)N[C@@H](CCc3ccccc3)C2=O)c1	25424695	KTZGRUOSIMCXKN-IBGZPJMESA-N	507.012	2.862	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)OCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1C	36384032	KXTWDGUAPWJYOU-VWNXMTODSA-N	515.632	2.600	0	40	KFAB	
COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)cc1	59851854	QLIPMGMSYSNBHJ-UHFFFAOYSA-N	559.666	2.976	0	40	KFAB	
CCOC(=O)Nc1ccc2c(COC(=O)[C@@H](NS(=O)(=O)c3ccc(Cl)cc3)[C@H](C)O)cc(=O)oc2c1	64734955	CFGHYQFQZZKBDZ-ZSEKCTLFSA-N	538.962	2.786	0	40	KFAB	
O=C(Cn1c(=O)n(CC(=O)NC2CCCC2)c(=O)c2oc3ccccc3c21)NCc1ccc(Cl)cc1	72332060	XHJFYXLBFJHYHB-UHFFFAOYSA-N	508.962	2.938	0	40	KFAB	
CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc(Cl)cc3)c(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	100072498	JWTWVAVUQMMSIC-RKFAPSRVSA-N	592.981	2.933	0	40	KFAB	
COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)S(C)(=O)=O)cc1Cl	140344381	KCTPHZLYYXBXEI-UHFFFAOYSA-N	525.008	2.949	0	40	KFAB	
CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NCCNS(=O)(=O)c2ccc(C)cc2)CC1	222582163	KANRGSFMCNZUAU-UHFFFAOYSA-N	544.095	2.543	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O	222602301	QKHISOLGSWYDOA-AWEZNQCLSA-N	500.390	2.518	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NC)c1ccc2c(c1)OCO2	260771211	ZEITVXLZWHQXGQ-XMMPIXPASA-N	537.638	2.958	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	260915942	GDCKBAIAJAGXJN-PMACEKPBSA-N	547.674	2.955	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)c(=O)n2[C@@H]1c1ccccc1Cl	409012127	IYLQJXKDLCLWHR-CINCIDGWSA-N	582.078	2.689	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OCCCN3CCCCCC3=O)c(OC)c2)C[C@](O)(COc2ccccc2)C1	585281261	XWTPZTPRJBIZCP-JGCGQSQUSA-N	583.726	2.967	0	40	KFAB	
COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(Cl)s3)o2)cc1	2723590	WBOZGIAHBNAZQW-UHFFFAOYSA-N	500.986	2.987	0	40	KFAB	
C[C@@H](O)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)OCC(=O)Nc1ccccc1OC(F)F	13128955	YYOBTGFSJFWORY-SZNDQCEHSA-N	508.499	2.651	0	40	KFAB	
COc1cc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)cc(OC)c1OC	13146339	KXDVADOHXJCNNY-UHFFFAOYSA-N	519.620	2.976	0	40	KFAB	
O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	22247093	OXVLJDRJLJTQMA-DEOSSOPVSA-N	525.602	2.788	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@@H](C(=O)NC3CCCC3)c3ccco3)n2)cc1OC	100276487	UQUFTQIEAFJYHI-NBGIEHNGSA-N	538.605	2.758	0	40	KFAB	
COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4C[C@H]([C@H]5C(=O)N(CCCC(=O)O)C(=O)[C@H]45)[C@@H]32)cc1OC	100922156	OYHUVFMUVOPDKA-IKJHIWGNSA-N	530.624	2.792	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	223825414	SEPKQPZWXKGSKP-QGZVFWFLSA-N	524.039	2.821	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl	224474118	MLKDJIXIAMXETC-UHFFFAOYSA-N	580.084	2.971	0	40	KFAB	
CCOc1ccc(N(Cc2ccc(C(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)S(C)(=O)=O)cc1	224488886	CBDZFZOWRVIBCA-UHFFFAOYSA-N	617.746	2.881	0	40	KFAB	
CCOc1c(OC)cccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3cc(I)c(OCC(=O)O)c(OC)c3)c(=O)n21	408969994	YIVBSRPCXDHXKG-BLJGQIRFSA-N	738.553	2.909	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3C)OCO4)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	693900	YJDDAIUZWPNVSN-QJWUKVPRSA-N	522.579	2.853	0	40	KFAB	
CC(=O)N1CCN(C(=O)C[C@@H]2c3nc(NC(=O)c4cccs4)sc3C[C@H]3[C@@]2(C)CC[C@@H](O)[C@@]3(C)CO)CC1	4222503	SABRRRCNIYNTCT-YFXFORSBSA-N	560.742	2.953	0	40	KFAB	biogenic,in-vitro
CCOC(=O)CNC(=O)[C@H](c1ccc(OCC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)cc1	6601362	WVBCMSJTUXVORO-QFIPXVFZSA-N	539.614	2.599	0	40	KFAB	
CCOc1ccc(CCNC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1OCC	12902388	MOWKNVCROIQODW-UHFFFAOYSA-N	504.605	2.784	0	40	KFAB	
CCOC(=O)[C@H]1C(c2ccc(OC)cc2)[C@@H](C(=O)OCC)[C@@](O)(C(F)(F)F)O[C@@]1(O)C(F)(F)F	16930466	ZWCDTIWOHIYUPI-VSWQYFQMSA-N	504.376	2.669	0	40	KFAB	
CCC(C)(C)n1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(Cc2ccco2)CC1	20084337	HWIWZDLDHHKXGN-QHCPKHFHSA-N	505.579	2.889	0	40	KFAB	
CC1(C)S[C@@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)N[C@H](C(=O)NCCCN1CCOCC1)c1ccccc1	20572683	AVASSELKDRUEKH-QHWMMSMNSA-N	522.671	2.731	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)/C=C/c3ccc(S(=O)(=O)NCc4ccco4)cc3)CC2)c(C)c1	97980627	PYDSPTGGEAURQV-XYOKQWHBSA-N	543.667	2.921	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OC)c3C(=O)O)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	101535714	WQXVQUVYCJSUKW-GAISBVLPSA-N	568.604	2.531	0	40	KFAB	
COc1cccc(-c2noc(CNS(=O)(=O)c3nnc(NC(=O)c4ccc(Cl)cc4)s3)n2)c1	224536903	YHBUEGPZHPYYDH-UHFFFAOYSA-N	506.953	2.981	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	261030955	JNVLQWBZEGYBRO-ROUUACIJSA-N	523.627	2.941	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)OC)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409032384	JDQOKKUDHOZDHE-YJWYJIRDSA-N	668.721	2.699	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OCCN3CCCCC3)cc2)C[C@@](O)(COc2ccc(C)cc2)C1	585279724	GEKNQMZPRAAHRU-PMERELPUSA-N	525.690	2.960	0	40	KFAB	
CC(=O)N1CCCN(C)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)Cc2ccccc21	643553600	BEQVEUHAOSGNFO-UHFFFAOYSA-N	530.666	2.944	0	40	KFAB	
CC(=O)N1CCCN(c2ncccn2)CCN(C(=O)CCc2ccc3c(c2)n(C)c(=O)n3C)Cc2ccccc21	643555056	SBZYZINWPJLSLU-UHFFFAOYSA-N	541.656	2.892	0	40	KFAB	
COc1ccc(OC)c(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)cc2)c1	798828	UHUIPIITLSAEAQ-UHFFFAOYSA-N	530.006	2.883	0	40	KFAB	
CCC[C@H](C(=O)NC1CCCC1)N(C[C@H]1CCCO1)C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1	6501364	JUDZBBNEVKCSEA-NHCUHLMSSA-N	514.627	2.592	0	40	KFAB	
COc1ccc(-c2nnn(CC(=O)N(Cc3ccc(F)cc3)[C@H](C)C(=O)NC3CCCC3)n2)cc1OC	12701164	BVDYTRDCAMBEFY-QGZVFWFLSA-N	510.570	2.973	0	40	KFAB	
COc1cc(C(=O)NCC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc(OC)c1OC	12882688	IZAYORNPHZBEQN-UHFFFAOYSA-N	516.904	2.858	0	40	KFAB	
COc1ccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(Cc4ccccc4)CC3)c(=O)[nH]c2c1	19940452	NEDSDMBTLQVZAQ-ZEQKJWHPSA-N	515.618	2.609	0	40	KFAB	
COc1ccc(NC(=O)Cn2c(=O)n(Cc3nc(-c4ccccc4)no3)c(=O)c3ccccc32)c(OC)c1	62728305	SEDUJHCHEPPYRN-UHFFFAOYSA-N	513.510	2.917	0	40	KFAB	
CC[C@@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@@H](C(=O)O)c1ccccc1	70705416	HFWGWXQAJGIMAV-NEBIIKFJSA-N	556.619	2.947	0	40	KFAB	biogenic
CC(=O)O[C@H]1C[C@]2(O)C(COC(=O)[C@H](OC(=O)CC(C)C)C(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]1(O)COC(=O)CC(C)C	96903077	ZWCCPUWSKJGJNH-GIBMAKMFSA-N	642.739	2.976	0	40	KFAB	biogenic
COc1ccc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4C[C@H]([C@H]5C(=O)N(CCCC(=O)O)C(=O)[C@H]45)[C@H]23)cc1OC	100922161	OYHUVFMUVOPDKA-JZOIIPHESA-N	530.624	2.792	0	40	KFAB	
COC(=O)[C@H]1CN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)c(Cl)c3)C2)c2ccccc2O1	222535692	KLARFANHYSFEHM-QVKFZJNVSA-N	508.980	2.717	0	40	KFAB	
C[C@H](C(=O)NCc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222700980	WRQGFZGKZBCKAJ-HSZRJFAPSA-N	551.665	2.820	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(C)(=O)=O	222852319	UCFPGNVOHBDWHW-VWLOTQADSA-N	509.628	2.847	0	40	KFAB	
CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O	223434605	HHCULTUREOHPQC-LJQANCHMSA-N	526.453	2.777	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	224655911	NXEYKVVIGVQSDA-LJQANCHMSA-N	503.621	2.557	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	224680947	HACWEGFZSMKBLA-LJQANCHMSA-N	505.637	2.722	0	40	KFAB	
CCOc1ccccc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@@H](C)C(=O)NC)S(C)(=O)=O	225479908	UIIAEWVLEOLOAD-INIZCTEOSA-N	526.453	2.777	0	40	KFAB	
O=C(COc1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	408622353	NHJKDBRGNXHTBY-UHFFFAOYSA-N	515.632	2.703	0	40	KFAB	
COc1ccc(OC)c(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(OC)c(C(=O)N4CCOCC4)c3)cc2)c1	408693059	DUQSSOJNKVUSEB-UHFFFAOYSA-N	591.664	2.786	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)OCC(=O)c1ccc2c(c1)NC(=O)CO2	6297180	FLRIRMFKBZLELP-UHFFFAOYSA-N	502.545	2.631	0	40	KFAB	
O=C(CCc1nnc2n(CCc3ccccc3)c(=O)c3ccccc3n12)N1CCN(c2ccccn2)CC1	9968872	PQJRIHYQUMTLBS-UHFFFAOYSA-N	507.598	2.963	0	40	KFAB	
CCCCN(C(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2)c1c(N)n(CCCC)c(=O)[nH]c1=O	12895156	DDVMEDMOKROGNO-UHFFFAOYSA-N	502.660	2.710	0	40	KFAB	
O=C(C[C@@H]1OC(=O)c2ccccc21)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F	13009773	WBWWJLNOHLVDCE-IBGZPJMESA-N	514.478	2.889	0	40	KFAB	
NC(=O)c1ccc(NC(=O)COC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(F)cc2)cc1	13146405	RCYVPQSBBCPLOQ-QHCPKHFHSA-N	502.502	2.929	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)C2)cc1C	59838781	XLOPWVUYNOTIEH-JOCHJYFZSA-N	549.715	2.895	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1	70459592	PCDIWWXMGHCGSL-MTCPJELPSA-N	542.997	2.924	0	40	KFAB	
O=S(=O)(c1ccc(Cl)c(NC(=S)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c1)N1CCOCC1	97981351	ACYRPNBBQFCIBW-UHFFFAOYSA-N	595.552	2.844	0	40	KFAB	
COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NCCN2C(=O)S/C(=C/c3ccc(OC)cc3)C2=O)CC1	103037728	IPWPFTSDPWONKX-OQKWZONESA-N	587.676	2.735	0	40	KFAB	
COC(=O)[C@@H]1CN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c2ccccc2O1	222714692	VWHCKJWOJMPAHN-QFIPXVFZSA-N	500.504	2.973	0	40	KFAB	
CN(c1cccc(NS(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3)s2)c1)S(C)(=O)=O	223620322	YIQTVCLUANZMOO-UHFFFAOYSA-N	501.999	2.640	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCC1(c2ccccc2)CCOCC1	225752915	OXIIWKCZMDPUGZ-UHFFFAOYSA-N	502.633	2.513	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C)cc1	260923932	URTXTBQCQQRPFP-LJQANCHMSA-N	535.663	2.668	0	40	KFAB	
COc1cccc(N2CCC(O)(CN3CCN(C(C)=O)C[C@](O)(COc4ccc(C)c(C)c4)C3)CC2)c1	585287582	OVEPOIROAOGWNU-LJAQVGFWSA-N	511.663	2.618	0	40	KFAB	
CCOc1ccccc1CN1CCCN(C(C)=O)c2ccccc2CN(C(=O)CC[C@H](N)C(=O)O)CC1	643556642	NYVCHPWXOGESJR-DEOSSOPVSA-N	510.635	2.865	0	40	KFAB	
CC(C)CCNC(=O)c1cnc(Nc2cccc([C@@H]3CN(S(=O)(=O)c4cn(C)cn4)CCO3)n2)s1	2037836255	WRCCRTUNJKUINW-KRWDZBQOSA-N	519.653	2.553	0	40	KFAB	
COc1ccc(CCN(Cc2ccccn2)S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1OC	933232	SLOMRPOMFNBAET-UHFFFAOYSA-N	519.645	2.783	0	40	KFAB	
COc1ccc(C[C@@]2(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1	2101239	CZHXWJUFFYDJKV-ITOWZWGRSA-N	556.619	2.797	0	40	KFAB	biogenic
CC[C@@H](C)[C@H](NC(=O)[C@@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O	4574679	MLLNBNIWCJUKEH-UWIXBZKZSA-N	582.698	2.757	0	40	KFAB	
COc1ccccc1N1CCN(C(=O)[C@H]2CN3CC[C@H]2C[C@@H]3Cn2cc(COc3ccccc3)nn2)CC1	8254085	FOVGBARQEPYSKB-FBILRYNDSA-N	516.646	2.925	0	40	KFAB	biogenic,in-vitro
COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1	8815805	XRZWERIDSIJCTQ-UHFFFAOYSA-N	515.569	2.588	0	40	KFAB	
CC(=O)Nc1ccc(NC(=O)CS(=O)(=O)c2cn(CC(=O)N3C[C@H](C)O[C@@H](C)C3)c3ccccc23)cc1	10460508	NRKFJSBKHLZRRE-ROUUACIJSA-N	526.615	2.648	0	40	KFAB	
COc1ccccc1CNC(=O)[C@H](C)NC(=O)C1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1	12865420	DCWURXGNIGPZJY-AVRDEDQJSA-N	518.655	2.604	0	40	KFAB	biogenic
Cc1cccc(-n2c(S[C@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)nc3sc4c(c3c2=O)CCCC4)c1	103079392	RLEZRPKDNUUUKL-CQSZACIVSA-N	537.667	2.978	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O	222419576	PFHQWZOHCMFHGO-MRXNPFEDSA-N	543.427	2.529	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)cc1	223071172	VAOIJDSHZZZPEW-SFHVURJKSA-N	505.637	2.802	0	40	KFAB	
CS(=O)(=O)N(CCCC(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1F	224412681	AQECONVYCGGMTA-UHFFFAOYSA-N	541.667	2.742	0	40	KFAB	
CCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	225372661	MCLMKQCWCHQPDQ-QFIPXVFZSA-N	535.663	2.812	0	40	KFAB	
COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1OC	225404379	REKFDYGFVMUMRZ-UHFFFAOYSA-N	511.600	2.936	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3cc(OC)c(OC)c(OC)c3)CC2)cc1OC	226074195	AIBVGZAABPJIKT-UHFFFAOYSA-N	522.620	2.789	0	40	KFAB	
CCC(=O)OCCC(=O)O[C@@H]1[C@@H](N(C)C)C[C@@H](C)O[C@@H]1O[C@@H]1[C@@H](C)[C@H](O[C@H]2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[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@@]1(C)O	253387798	OZJXTWMDBPQRGI-NDFGHJIESA-N	862.064	2.680	0	40	KFAB	
COc1ccc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3ccc(Br)cc3Cl)CC2=O)cc1OC	408662673	XKHLMNWYNPJRNF-CYBMUJFWSA-N	554.781	2.795	0	40	KFAB	
CS(=O)(=O)CC[C@@H](C(=O)OCC(=O)c1cccs1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O	409180150	WSHHYTNQXPIENL-AWEZNQCLSA-N	504.369	2.880	0	40	KFAB	
CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OCC(=O)O)c(I)c2)C1=O	409230116	BQGVIVKCGRTOCW-LICLKQGHSA-N	549.321	2.848	0	40	KFAB	
Cc1cc(S(N)(=O)=O)ccc1OCC(=O)N1CCO[C@]2(CCCCc3ccccc3OCCN(C(C)C)C2=O)C1	643557152	QMNRCKZMKVTINV-GDLZYMKVSA-N	573.712	2.661	0	40	KFAB	
COc1ccc2[nH]cc(CCC(=O)N3CCC4(CCCCOC[C@H](C)NC(=O)[C@H](C)NC4=O)CC3)c2c1	643564173	RIMIUVONFHRWSG-PMACEKPBSA-N	512.651	2.928	0	40	KFAB	
CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)NCCCn2ccc(C(F)(F)F)n2)NC(=O)c2ccccc2OC[C@H]2CCCN2C1=O	643567323	YULVFVKXMDRRRR-HJNYFJLDSA-N	606.646	2.511	0	40	KFAB	
CC(=O)N1CCC(N2CC(=O)N3CC[C@@H](CC(=O)NC4CC4)[C@@H](C=CCOc4ccccc4C2)C3)CC1	958317820	PRHWCRDIOZGXTG-GOTSBHOMSA-N	508.663	2.582	0	40	KFAB	
COc1cccc(-c2ccc3c(c2)OCCC2(CCN(Cc4ccccn4)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2S3(=O)=O)c1	1548889410	GNXOUGPLZCSIMO-VPUSJEBWSA-N	592.718	2.815	0	40	KFAB	
C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)Nc1ccc(SC(F)F)cc1	3314753	DHLUEOUWTDOUAN-DIFFPNOSSA-N	508.952	2.864	0	40	KFAB	
O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccc(F)cc2)CC1)Nc1cc(Cl)cc(Cl)c1	19961918	CIDFZDZWNPRQIX-NRFANRHFSA-N	522.408	2.610	0	40	KFAB	
Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CN(S(C)(=O)=O)c4ccccc4O3)cc2)c1	20493369	VFUOUSRDVSHHLW-JOCHJYFZSA-N	501.586	2.962	0	40	KFAB	
O=C(c1ccc(F)cc1)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccccc3Br)CC2)CC1	38152340	KBROJVMBQRNURF-UHFFFAOYSA-N	538.439	2.974	0	40	KFAB	
COC1=C[C@]23CCCN2CCc2cc4c(cc2[C@]3(C)[C@@H]1OC(=O)[C@@](O)(CCCC(C)(C)O)CC(=O)O)OCO4	59817101	DJIVDDPFKDEQIR-XDOPXQJJSA-N	545.629	2.666	0	40	KFAB	biogenic,investigational
O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1[C@H]3C4C5[C@]6(C[C@@H]7[C@H](C[C@]516)C7(Br)Br)[C@H]2[C@@H]43	104283815	KDSIPDSSIYSVPH-HUUSCTDISA-N	503.194	2.914	0	40	KFAB	
CS(=O)(=O)N(CC(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc(Cl)cc(Cl)c1	224289834	DPKFOSORQAORAB-UHFFFAOYSA-N	550.486	2.739	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O	225509787	MSYUPEQMEGFUMR-DEOSSOPVSA-N	509.628	2.847	0	40	KFAB	
CCOC(=O)C1CCN(C(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)CC1	409004939	GIQUXINLDVRBSR-UHFFFAOYSA-N	518.632	2.739	0	40	KFAB	
CC(C)(O)CCC(=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@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C	514287881	VVBWBGOEAVGFTN-PHORUPPLSA-N	520.707	2.944	0	40	KFAB	biogenic,in-vitro
C[C@@H]1COc2ccccc2C(=O)NCCCCC2(CCN(C(=O)[C@@H](N)Cc3cccc(F)c3)CC2)C(=O)N1	643560702	CHSIMTXJGABIBR-YKSBVNFPSA-N	524.637	2.802	0	40	KFAB	
CN1C(=O)[C@H](CO)NC(=O)CC[C@@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)NC(=O)c2ccccc2OC[C@H]1Cc1ccccc1	643569797	RWKDCCWNTNRDPG-LMERMFHRSA-N	674.770	2.508	0	40	KFAB	
COc1cccc([C@@H]2[C@@H](C(C)C)CN(C(C)=O)C[C@H](OC)[C@@H](O)[C@@H](O)COCCCCN2C(=O)CN2CCC[C@@](C)(c3cc(O)n[nH]3)C2)c1	643584779	KEKJSKKNXGJCLH-DTLBXJIQSA-N	687.879	2.715	0	40	KFAB	
CC(C)[C@H](O)c1nc2ccccc2c(=O)n1[C@@H]1C[C@]2(OC1=O)c1ccccc1N1C(=O)C(C)(C)N(O)[C@H]12	1775964163	UWJPYPZTQNRUNI-SUFGBKCLSA-N	504.543	2.626	0	40	KFAB	biogenic,in-vitro
O=C1CN(C(=O)CN2CC[C@H]3NC(=O)[C@@H](Cc4ccccc4)NC(=O)C4(CC=CC[C@H]3C2)CCOCC4)c2ccccc2N1	2037879307	MHZIYNYZLSWUKB-ZRRKCSAHSA-N	599.732	2.653	0	40	KFAB	
Cc1cccc(OC[C@@H](O)Cn2c(N3CCC(Cc4ccccc4)CC3)nc3c2c(=O)[nH]c(=O)n3C)c1	9110788	CGWNHZHCKQGTCY-QFIPXVFZSA-N	503.603	2.631	0	40	KFAB	
O=C(CN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccccc1	13496979	DANKUSQXVHFQCO-OAQYLSRUSA-N	521.661	2.670	0	40	KFAB	
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CSc3nnc(-c4cccnc4)n3C)cc2)nc(C)n1	16755654	USIWLZJCFVWCSF-UHFFFAOYSA-N	510.605	2.816	0	40	KFAB	
COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NCCN2C(=O)S/C(=C\c3ccc(F)cc3)C2=O)CC1	97980194	BSKJRKSZKVIIKA-PGMHBOJBSA-N	575.640	2.866	0	40	KFAB	
CC(C)(C)N(CC(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1)CC(=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1	102771262	VRNMEBIAOPQFOM-PLQXJYEYSA-N	575.753	2.528	0	40	KFAB	
O=C(NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1	103024315	PQZUCIXTZWKEEW-CPNJWEJPSA-N	554.021	2.966	0	40	KFAB	
CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O	223035776	SCAGAYVNYZVQBE-FQEVSTJZSA-N	557.454	2.919	0	40	KFAB	
CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O	223431750	HHKRKAXBAGIJEB-HXUWFJFHSA-N	526.453	2.777	0	40	KFAB	
CC[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O	224485992	JFVJLRFFNBUPBA-QFIPXVFZSA-N	594.539	2.754	0	40	KFAB	
CCOC(=O)c1ccc(NC(=O)CN2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C[C@@H]3[C@H]3[C@H]2Sc2[nH]c(=O)sc2C3(C)C)cc1	245228697	CPTVKKABNVQKSK-RDRYKLJOSA-N	541.651	2.871	0	40	KFAB	
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(=O)[C@H](C)[C@@H]2OC(=O)O[C@@]12C	257493652	NKLGIWNNVDPGCA-PXNDVVMWSA-N	759.931	2.968	0	40	KFAB	biogenic
COc1cccc(CN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)[C@H](C)C(=O)NC2CCCC2)c1	260769035	GGUQAQLIAAUISZ-LJQANCHMSA-N	534.654	2.923	0	40	KFAB	
CCOc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc(I)c1OCc1cccc(C(=O)O)c1	408593612	QPYZGDDWISILFW-LZYBPNLTSA-N	566.304	2.944	0	40	KFAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(=O)O)cc3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	409103726	BMUAVQQCNPZXPS-XPCGLTFESA-N	535.622	2.819	0	40	KFAB	
COc1ccc(OC)c([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C4/C(=O)N(C)c5ccccc54)c(=O)n32)c1	409112964	HKUMLLGTBVGIOO-AYWGPLOBSA-N	533.606	2.551	0	40	KFAB	
O=C(Nc1cccc2ccccc12)N[C@H]1CO[C@@H]2[C@@H](n3nnnc3Oc3ccc4c(c3)OCO4)CO[C@H]12	4259775	KEQXAQLSYRLXAO-BZRIBIQUSA-N	502.487	2.876	0	40	KFAB	biogenic,in-vitro
O=C(OC[C@@H]1O[C@@H](n2cnc3c(=O)[nH]c(=O)[nH]c32)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1	4887494	GNPXLAQWIFFOOV-HZMCFHPPSA-N	596.552	2.619	0	40	KFAB	
COCCNC(=O)[C@@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(C(F)(F)F)c1	6904988	RNVJNAOOHCWSKY-GOSISDBHSA-N	537.520	2.699	0	40	KFAB	
COc1cc([C@@H]2C(C(=O)OCC(C)C)=C(C)N=c3s/c(=C/c4ccco4)c(=O)n32)ccc1OC(C)=O	16700724	DROUJKDZBQBDLF-YOKWNPFVSA-N	510.568	2.961	0	40	KFAB	
CC(C)c1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(c3cccc(Cl)c3)CC2)cc1	20803128	CMCYUKLPCZFHBC-DEOSSOPVSA-N	512.054	2.941	0	40	KFAB	
COc1cc(C(C)=O)ccc1COc1ccc(C(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)cc1OC	103136130	GKBXJXVKRKDKHS-UHFFFAOYSA-N	542.566	2.928	0	40	KFAB	
CCOC(=O)c1c(NC(=O)COC(=O)[C@H](NC(=O)c2ccc(OCC)cc2)C(C)C)sc(C(=O)NC)c1C	103137003	KLHRZMUDBNGCMK-HXUWFJFHSA-N	547.630	2.928	0	40	KFAB	
CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	224197192	BDYRXXPQRLGHTN-OAQYLSRUSA-N	505.637	2.722	0	40	KFAB	
CN(c1ccc(Cl)c(C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1)S(C)(=O)=O	224414306	QTNQJLBUHVHMLW-UHFFFAOYSA-N	530.068	2.719	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C	224999301	WWRUHLZVDTVCNS-OAQYLSRUSA-N	518.680	2.868	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C	226057834	UQFOCBRZTCLHMH-UHFFFAOYSA-N	537.704	2.548	0	40	KFAB	
COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C(=O)N1CCCC1	408693075	FTEHTWUKAJQJNF-UHFFFAOYSA-N	507.634	2.907	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(=O)O)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	408843337	SWMMULKCTZDCRP-QCHPHUCNSA-N	522.579	2.904	0	40	KFAB	
COc1cc(CN2CCN(C(C)=O)C[C@](O)(COc3ccc(F)cc3)C2)ccc1OCCn1ccnc1C	585280651	QRDQUDAHPMQVTG-NDEPHWFRSA-N	526.609	2.892	0	40	KFAB	
COCC(=O)N1C[C@H](CC(C)C)N(C(=O)CSc2nnc(-c3cccnc3)n2-c2cccc(OC)c2)CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)C1	643913175	IZJKSTDRWRDBDT-GUCGJYCKSA-N	714.886	2.696	0	40	KFAB	
COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)c1OC	3339310	OWXXVYGSUALCEQ-UHFFFAOYSA-N	533.386	2.827	0	40	KFAB	
CC(C)(C)NC(=O)[C@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCO2	6074950	NWROANQCWNWRMI-IBGZPJMESA-N	513.551	2.995	0	40	KFAB	
O=C(CCc1nnc2n(Cc3ccc(F)cc3)c(=O)c3ccccc3n12)N1CCN(c2ccccn2)CC1	9831433	ODJUSGJPWMBSDS-UHFFFAOYSA-N	511.561	2.908	0	40	KFAB	
COC(=O)C1=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H](c2ccc(Br)cc2)n2nnnc2N1	10232357	AQBYDEZNUPKXIK-GOSISDBHSA-N	500.309	2.778	0	40	KFAB	
COCCNC(=O)[C@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)c(C)c1	12467367	OYBMMMJTPUKAHM-NRFANRHFSA-N	511.604	2.600	0	40	KFAB	
COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccccc1Cl	13777706	ZSHHLARRPAIYET-PZDOZLBDSA-N	512.971	2.996	0	40	KFAB	
COc1ccc(CNC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC	20005819	ZGPMYLDTODTUAK-OAQYLSRUSA-N	514.600	2.927	0	40	KFAB	
COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2)cc1OC	38145009	JZBABAPOZUQWCY-HTAPYJJXSA-N	539.614	2.525	0	40	KFAB	
CCOc1ccc(/C=C2/SC(=O)N(CCNC(=O)[C@H]3CS[C@@]4(C)CCC(=O)N34)C2=O)cc1OC	97985948	PYKTUFMYUVOBIR-IBSGWGEXSA-N	505.618	2.700	0	40	KFAB	
CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(OC)cc3)N(CCCN3CCC(C(N)=O)CC3)C2=S)cc1	98005913	WGTXENXPTQGMIO-VWLOTQADSA-N	595.722	2.790	0	40	KFAB	
COc1cc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@@H]2CCCO2)c2sccc2C)ccc1-n1cnnn1	100335971	ABINLCOHWBJPMP-FNZWTVRRSA-N	587.666	2.855	0	40	KFAB	
COc1cccc(C[C@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)c1OC	100468889	CDOUNSYTQPAZQT-NRFANRHFSA-N	557.591	2.739	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)CCCN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1	224259732	XXJFXCQWHHJAGV-UHFFFAOYSA-N	552.502	2.985	0	40	KFAB	
CC[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)N(c1ccc(C)cc1)S(C)(=O)=O	224316375	XHWIGYUHNJANLO-HSZRJFAPSA-N	523.677	2.519	0	40	KFAB	
CCOC(=O)COc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc1Br	409239698	DEZUAYBUQCOEEZ-GZTJUZNOSA-N	532.347	2.931	0	40	KFAB	
COCCNC(=O)[C@@H](Cc1cc(I)c(O)c(I)c1)NC(=O)OC(C)(C)C	409334837	IWRBHEKUFNFMKD-CYBMUJFWSA-N	590.196	2.800	0	40	KFAB	
CCOC(=O)Cn1nnnc1[C@H](C(C)C)N(Cc1cccnc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3	1334428	AERCLNVIRABTSW-VWLOTQADSA-N	533.589	2.643	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@H](Nc2ncc(-c3ccc(C)cc3)s2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	5808559	LXUJURWYKMGNEE-QZUCXDRTSA-N	520.560	2.614	0	40	KFAB	
Cc1ccc(NC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)cc1S(=O)(=O)N1CCOCC1	17576530	UJPYYPITGDFNIS-UHFFFAOYSA-N	526.592	2.645	0	40	KFAB	
COC(=O)[C@]1(c2ccccc2)N[C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21	20150747	YFEFDAGKSLPAEF-HXFQDRMMSA-N	500.507	2.682	0	40	KFAB	
O=S(=O)(c1cccs1)N1CCN(c2nc(CN3CCOCC3)nc3sc4c(c23)CCC4)CC1	25426651	ZIUXLOTZZTXAIV-UHFFFAOYSA-N	505.691	2.585	0	40	KFAB	
Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)cc1S(=O)(=O)N1CCOCC1	66166669	RRWIIAPDVJFQJW-RTBURBONSA-N	535.688	2.935	0	40	KFAB	
CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCN(Cc2cc(=O)n3nc(-c4cccs4)sc3n2)CC1	101494765	NXSVRQUJLPUJEB-UHFFFAOYSA-N	544.684	2.653	0	40	KFAB	
CCN(CC)C(=O)Cn1c(=O)n(Cc2ccc(C(=O)N3CCCCC3)cc2)c(=O)c2cc(OC)c(OC)cc21	102523356	MPKVTTOQWBBMRB-UHFFFAOYSA-N	536.629	2.723	0	40	KFAB	
C[C@@H](OC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	103136192	CGEOVZCEIVFLJS-GOSISDBHSA-N	563.588	2.692	0	40	KFAB	
CCOc1ccc(N(CCCC(=O)N(Cc2ccc(OC)cc2)[C@@H](C)C(=O)NC)S(C)(=O)=O)cc1	222866970	UJUGHGYWEWLEEX-IBGZPJMESA-N	505.637	2.803	0	40	KFAB	
C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	222894872	BTASNWHUNGPSHN-KRWDZBQOSA-N	510.607	2.910	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	223699411	ITVMMFLOTQVTFB-INIZCTEOSA-N	512.028	2.677	0	40	KFAB	
CCOc1ccc(N([C@@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)cc1	224368580	AVADHEMXIXBTQE-FQEVSTJZSA-N	553.703	2.610	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	260890492	LAVQBLNQNIQFNY-PMACEKPBSA-N	517.648	2.946	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CCOCC2)c2ccc(C)cc2)cc1Br	408610472	QZSKRMAAEOPVGU-UHFFFAOYSA-N	540.480	2.800	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OCCN3CCCC3)cc2)C[C@](O)(COc2cc(F)cc(F)c2)C1	585273355	CJXWKMVULXJMPR-MUUNZHRXSA-N	533.616	2.540	0	40	KFAB	
CC[C@H](C)[C@@H]1NC(=O)CC[C@@H](C(=O)NCCCc2ccc(OC)c(OC)c2)NC(=O)c2ccccc2OCCN(C)C1=O	643569358	DQANDQMZMQVWSW-OYYXRSNLSA-N	596.725	2.713	0	40	KFAB	
CC(C)C[C@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)CCC(=O)N2CCC[C@@H]2C(=O)N(C)CC(=O)N1	643571786	LBGXGHMHOMFBDU-LHGWWSMPSA-N	707.844	2.942	0	40	KFAB	
Cn1c(=O)[nH]c(=O)c2c1nc(N(CCO)Cc1ccccc1)n2CCSc1nc2ccccc2s1	2350839	DQOYLOLCYWEFSV-UHFFFAOYSA-N	508.629	2.824	0	40	KFAB	
CCOC(=O)CNC(=O)[C@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(C)c1C	6547019	SBWWSROPNTYCGF-NRFANRHFSA-N	527.578	2.648	0	40	KFAB	
CCN(CC)C(=O)CN1C(=O)[C@]2(N[C@@H](CC(C)C)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)c2ccccc21	8869059	HNCICGFNJFYBRP-QXQHHZKDSA-N	516.642	2.916	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H]3C(=O)NC3CC(C)(C)NC(C)(C)C3)CC2)cc1	9191427	JUCBCFVEUINVCC-QHCPKHFHSA-N	518.724	2.812	0	40	KFAB	
COc1ccc([C@@H](C(=O)NC(C)(C)C)N(C[C@H]2CCCO2)C(=O)Cn2nnc(-c3ccc(C)o3)n2)cc1	12477772	KYXFKGKCNYEYIQ-OFNKIYASSA-N	510.595	2.914	0	40	KFAB	
C[C@H]1CCc2c(sc3nc(SCC(=O)c4c(N)n(C)c(=O)n(C)c4=O)n(-c4ccccc4)c(=O)c23)C1	12549181	WXGOSSVVWZIYLX-ZDUSSCGKSA-N	523.640	2.527	0	40	KFAB	
O=C(Cn1c(=O)n(CC(=O)Nc2ccc(F)cc2)c(=O)c2sccc21)NCc1ccccc1Cl	13607289	ATMWZRVDMSFKCS-UHFFFAOYSA-N	500.939	2.972	0	40	KFAB	
CN(C(=O)COC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1	17527542	MCBNORAPEVEBDA-RCHCNPRSSA-N	537.594	2.512	0	40	KFAB	
CN1C(=O)N(C)C(=O)C(Cc2ccc3c4c(cccc24)CC3)(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)C1=O	26730590	TUJWZBDBYMMKKH-XXBNENTESA-N	524.621	2.799	0	40	KFAB	biogenic
COC(=O)c1cc(NC(=O)C[C@@H]2C(=O)N[C@@H]3CCCC[C@@H]3N2C(=O)Nc2ccccc2)cc(C(=O)OC)c1	36011715	RQPJYDGWYLOZKI-BHIFYINESA-N	522.558	2.932	0	40	KFAB	
CCN1C[C@]2(C)CC[C@H](OC(C)=O)[C@@]34[C@@H]5C[C@@H]6[C@@H](OC)C[C@](OC(C)=O)([C@@H](C[C@@H]32)[C@@H]14)[C@H]5[C@H]6OC(C)=O	70691745	BHOWLZWNBIHSFB-GQIRAUAMSA-N	503.636	2.963	0	40	KFAB	
CCOc1c(I)cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1OC	106710085	SGGTVBSZZZWBIU-GDNBJRDFSA-N	532.356	2.594	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c2ccccc2OC)cc1	113634013	KSXVFGZJLVLIQO-UHFFFAOYSA-N	573.693	2.741	0	40	KFAB	
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(I)cc3)S(C)(=O)=O)cc2)n1	215965565	ABQCBWRMIUDXHM-UHFFFAOYSA-N	601.448	2.595	0	40	KFAB	
C[C@@H](C(=O)NCCN1CCOCC1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1	222800819	HTCOTGQXKCXWAF-QHCPKHFHSA-N	591.174	2.923	0	40	KFAB	
Cc1ccc(CN(C(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C)cc1	224192572	CQRGOZNKANAJKT-IBGZPJMESA-N	503.621	2.679	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O	225363066	YNJJQJKIBYNNTJ-RBUKOAKNSA-N	505.637	2.802	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	225412544	MGTDZJUGDHJJPK-ROUUACIJSA-N	501.605	2.562	0	40	KFAB	
COC(=O)[C@@H]1CN(C(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)c2ccccc2O1	226013305	HYURCVZYLXTPQG-DEOSSOPVSA-N	532.615	2.994	0	40	KFAB	
CC(=O)N1CCC(N2CC(=O)N3CC[C@@H](CC(=O)NC4CC4)[C@@H](/C=C\COc4ccccc4C2)C3)CC1	253403248	PRHWCRDIOZGXTG-LIOVRKMKSA-N	508.663	2.582	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	260931460	HPSUILHDVZIACN-OALUTQOASA-N	535.663	2.810	0	40	KFAB	
CCc1cc(Br)ccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2cccc(C)c2)C1	408661963	WNFIXKRVISDWJR-QGZVFWFLSA-N	502.365	2.995	0	40	KFAB	
CCc1nccn1CCOc1ccc(CN2CCN(C(=O)COC)C[C@@](O)(COc3cc(F)cc(F)c3)C2)cc1OC	2037932403	FOTGBHPSAMBAMA-SSEXGKCCSA-N	588.652	2.912	0	40	KFAB	
O=C(OCC(=O)N1CCOCC1)c1cc(S(=O)(=O)Nc2ccc(Br)cc2)ccc1Cl	3237775	NKPRSKBDEMYITK-UHFFFAOYSA-N	517.785	2.919	0	40	KFAB	
CC(C)Cc1nnc(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)s1	9242375	TXCIBIIKQANMCC-UHFFFAOYSA-N	500.046	2.642	0	40	KFAB	
CC(C)CN(C(=O)COC(=O)/C=C/c1ccc2ccccc2n1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	12522743	RGRKGRBJCBGJAU-CCEZHUSRSA-N	527.581	2.961	0	40	KFAB	
COc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)Nc2ccc(I)cc2)cc1C	28209907	VKBLTXIANVOCAA-INIZCTEOSA-N	514.341	2.927	0	40	KFAB	
CC(C)CN(C(=O)CN(C)C(=O)CCOc1ccc(C(C)(C)C)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	32972039	YRKAIGHYHVQMCS-UHFFFAOYSA-N	529.682	2.989	0	40	KFAB	
O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl)NCc1ccc(S(=O)(=O)N2CCCC2)cc1	59852145	WCVUPABDGLFOHY-UHFFFAOYSA-N	556.106	2.994	0	40	KFAB	
CCOCCCn1c(SCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)nc2ccccc2c1=O	103078614	LSSCYAPBSFKSJU-UHFFFAOYSA-N	546.671	2.575	0	40	KFAB	
CO[C@@H]1[C@]2(O)C(=O)N3C=CC(C)(C)c4[nH]c5ccccc5c4C=C3C(=O)N2[C@]23[C@H](CO)C(C)(C)N2c2ccccc2[C@]13O	155041556	VIKRIYAAOWJXCT-ISXMFXRTSA-N	582.657	2.507	0	40	KFAB	biogenic,in-vitro
COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3F)S(=O)(=O)N(C)C)cc2)c1	215906022	OJUFCNOTECTODI-UHFFFAOYSA-N	566.633	2.895	0	40	KFAB	
COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)[C@H](C)C(=O)NCCCO)cc1	222940389	UDMYVUDTRVKWTO-HXUWFJFHSA-N	573.643	2.930	0	40	KFAB	
Cn1c(=O)sc2cc(NC(=O)CN(c3ccc(I)cc3)S(C)(=O)=O)ccc21	225032071	CKRAHTNXHPJLSG-UHFFFAOYSA-N	517.370	2.609	0	40	KFAB	
CC(C)C[C@H](NC(=O)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(C)C)C(N)=O	245377413	KXYQTNFTLYPKFE-FDFHNCONSA-N	515.655	2.761	0	40	KFAB	
COc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1OC	260713381	DERKACLTSIWXTH-LJQANCHMSA-N	505.637	2.720	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)[C@H](C)C(=O)NC(C)(C)C)cc1	260813272	VHQHXVJTOIDELT-QGZVFWFLSA-N	519.620	2.522	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3C(=O)NC[C@H]3CCCO3)C2)cc1	408714487	RULNFOLHVQVMIV-AZUAARDMSA-N	501.605	2.643	0	40	KFAB	
CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)cc1OC	409034789	IHXGQJCIUWUIAV-BQKWAYIGSA-N	536.606	2.749	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccc(Br)cc43)c(=O)n2[C@@H]1c1cccc(OC)c1	409113286	HMSQZNGUXUJTMC-GOBJLOIFSA-N	554.422	2.892	0	40	KFAB	
Cc1cc(OC[C@@]2(CC(=O)N3CCN(C)CC3)CN(C(=O)CCc3nnc(C(C)C)o3)CCO2)ccc1Cl	585287496	YDKMROPZGFCVIH-HHHXNRCGSA-N	548.084	2.928	0	40	KFAB	
CCOc1ccc(CCCNC(=O)[C@@H]2CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)COc3ccccc3C(=O)N2)cc1OC	643565719	LPNFFIDVJBDGAX-RSEQLOHWSA-N	596.725	2.759	0	40	KFAB	
COCC(=O)N1C[C@H](CC(C)C)N(C(=O)C2(c3ccc(F)cc3)CCCC2)CCCCOC[C@@H](O)[C@@H](O)[C@H](OC)C1	643586341	MEOBUYKERHSIDU-NFWVVERESA-N	580.738	2.903	0	40	KFAB	
Cc1cc(=Nc2cc(N3CCN(C)CC3)nc(CC3CCN(C(=O)[C@H]4CCCCN4C(=O)OC(C)(C)C)CC3)n2)[nH][nH]1	2037649468	LHSOCAQBOQCCJT-HSZRJFAPSA-N	581.766	2.996	0	40	KFAB	
CCOc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(Cc2ccc(OC)cc2)C(=O)c2snc(C(N)=O)c2N)cc1	6601678	CKSRHXMNPRMCAA-XUZZJYLKSA-N	567.668	2.910	0	40	KFAB	
COC(=O)c1c(NC(=O)COC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)sc(C)c1C	12577512	NADMHXQGDIKFID-UHFFFAOYSA-N	510.590	2.740	0	40	KFAB	
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C	12651374	PHTZGASKZIPFDH-UHFFFAOYSA-N	533.647	2.902	0	40	KFAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)c4cc(F)c(F)cc4Cl)[C@@H]3SC2)s1	17356887	UAHYTULENJCXQX-WBMJQRKESA-N	518.976	2.923	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1	20111496	LKMNBZLJWJZCPL-QGZVFWFLSA-N	527.690	2.971	0	40	KFAB	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1	103012301	CPHPWONWWDNYRP-OAQYLSRUSA-N	577.103	2.688	0	40	KFAB	
O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)NCc1ccccc1Cl	103057665	JYIUECSFCNOIFH-UHFFFAOYSA-N	536.050	2.824	0	40	KFAB	
COC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)C(c3ccccc3)c3ccccc3)C2)cc1	138828224	FNGZTHUUWYFSRH-JOCHJYFZSA-N	529.549	2.667	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@@H](Oc2cc(OC(C)=O)c3c(=O)c(-c4ccc(OC(C)=O)c(OC(C)=O)c4)coc3c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	150343753	WSMQBJMPWPNLTJ-ZWLIOOEGSA-N	742.639	2.698	0	40	KFAB	
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCOc3ccc(S(=O)(=O)N(C)C)cc3)cc2)cc1	224218873	SZAMKEQBEMTBLY-UHFFFAOYSA-N	517.629	2.855	0	40	KFAB	
CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	225417578	BIDLOOLYHOHIQX-NRFANRHFSA-N	501.605	2.563	0	40	KFAB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-n3cnnc3)c2C)cc1NS(C)(=O)=O	225474640	NSIKRVPDCNUHKH-PKTZIBPZSA-N	538.659	2.960	0	40	KFAB	
COc1ccc(C(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1S(=O)(=O)N1CCCCC1	226045293	MZKVDQHZPIELSP-UHFFFAOYSA-N	535.688	2.627	0	40	KFAB	
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	252463678	QOMBXPYXWGTFNR-KRPFXEAISA-N	767.010	2.953	0	40	KFAB	biogenic,in-vitro
CC(=O)c1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)S(C)(=O)=O)c1	408549077	WPOLJYRQYUFKOA-UHFFFAOYSA-N	507.634	2.859	0	40	KFAB	
CC(C)C[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCCOc2ccc(F)cc2)CC(=O)N[C@H](C(C)C)C(=O)N1	643565265	FJDKSLNIAPDJHY-SSEPRJSISA-N	570.662	2.574	0	40	KFAB	
CC1(C)NC(=O)C[C@@H](C(=O)NCCc2ccc(F)cc2)NC(=O)c2ccccc2OC[C@@H](Cc2ccccc2)NC1=O	643568167	MYACTGRFJLVOFN-RSXGOPAZSA-N	574.653	2.688	0	40	KFAB	
C/C=C/C=C/C=C/C(=O)O[C@H]1[C@H]2C(C)(C)CCC[C@]2(C)C2=C(C(=O)N([C@H](CCC(=O)O)C(=O)O)C2=O)[C@H]1O	1772591753	NXFORTNJXMYGOQ-FJXOGWJLSA-N	529.586	2.777	0	40	KFAB	
Cc1noc(C)c1S(=O)(=O)N1CCN2CC(=O)Nc3cc(-c4ccc(F)cc4F)ccc3OC[C@H]2C1	1772594728	ORNWCLNQOQFEMJ-GOSISDBHSA-N	518.542	2.943	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1OC	708130	KZXLORUJJKHBRI-JGTYQCAFSA-N	524.595	2.920	0	40	KFAB	
CCOC(=O)C1CCN([C@@H](c2cc3cc4c(cc3[nH]c2=O)OCO4)c2nnnn2Cc2ccc(F)cc2)CC1	6194682	BSJJQCVPPJKILZ-DEOSSOPVSA-N	534.548	2.795	0	40	KFAB	
C[C@H](OC(=O)COc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	12591427	AJMDETPJELKGNY-AWEZNQCLSA-N	517.387	2.964	0	40	KFAB	
O=C(CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	13133802	VNBXVHZKARALGZ-HSZRJFAPSA-N	502.618	2.645	0	40	KFAB	
Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(C)c1	20030852	CQERJGBXYROUCK-UHFFFAOYSA-N	507.678	2.723	0	40	KFAB	
Cc1ccc(NC(=O)CSCC(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1	32985915	CZYYSJCJNATHED-UHFFFAOYSA-N	509.632	2.836	0	40	KFAB	
CC[C@@H](c1nnnn1C[C@H]1CCCO1)N(CCCN1CCOCC1)Cc1cc2cc(C)ccc2[nH]c1=O	33937389	LIFWRMHDMRWOSF-NOZRDPDXSA-N	509.655	2.678	0	40	KFAB	
COc1ccc(CN(CC(=O)Nc2ccccc2)S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	100380401	XJTYUHJVXOBURH-UHFFFAOYSA-N	559.666	2.546	0	40	KFAB	
CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	222646325	WUEYUJIVUWMDHN-NRFANRHFSA-N	510.607	2.910	0	40	KFAB	
CC(=O)c1cccc(N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c1	260931779	LHFIDBVUILYZKP-GOSISDBHSA-N	505.612	2.984	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)n(C)c(=O)n4C)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1	408864444	VXTZGGGWRXGTGG-NWKGEQBZSA-N	597.491	2.760	0	40	KFAB	
Cc1cc(OC[C@@]2(CC(=O)N3CCOCC3)CN(C(=O)CCCn3cccn3)CCO2)ccc1Cl	585284913	KDWGLQXUFSFRNZ-RUZDIDTESA-N	505.015	2.551	0	40	KFAB	
CC(C)[C@H]1NC(=O)CN(Cc2ccccc2)C(=O)C[C@@H](C(=O)NCCOc2ccc(F)cc2)NC(=O)c2ccccc2OC[C@H](C)NC1=O	643573522	XEFOHFWYOPSMEY-SZJRAYCXSA-N	675.758	2.576	0	40	KFAB	
CC(=O)N1CCC(N2CC(=O)N3CC[C@@H](CC(=O)NCCN4CCCC4)[C@@H](C=CCOc4ccccc4C2)C3)CC1	958317723	HPMNMDLBEUOIAK-SVBPBHIXSA-N	565.759	2.515	0	40	KFAB	
COc1cccc(NC(=O)N2CCC3(CCOc4cc(-c5cccnc5)ccc4S(=O)(=O)N4C[C@H](O)C[C@H]4C(=O)N3)CC2)c1	1548891106	WJFUWZBUCYUBLL-RSXGOPAZSA-N	621.716	2.847	0	40	KFAB	
Cc1cc(C)nc(SCCn2c(N3CCN(c4cccc(Cl)c4)CC3)nc3c2c(=O)[nH]c(=O)n3C)n1	1263791	GUYHNXJGACOQMJ-UHFFFAOYSA-N	527.054	2.602	0	40	KFAB	
Cc1cccc(N(CCOC(=O)CN2C(=O)c3ccccc3C2=O)C2=NS(=O)(=O)c3ccccc32)c1	3583511	KHAOWHKVBBQZEY-UHFFFAOYSA-N	503.536	2.790	0	40	KFAB	
Cc1cc(NC(=O)Cn2c(=O)n(CCCCCC(=O)NCc3ccc4c(c3)OCO4)c(=O)c3sccc32)n[nH]1	29749769	ORWOQMRVBAMGEE-UHFFFAOYSA-N	552.613	2.500	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1Cl	39986550	FPCJPPRJXPIFJY-UHFFFAOYSA-N	524.039	2.822	0	40	KFAB	
CCCn1cc(C(=O)N2CCN(C(C)C)CC2)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)n1	67337642	UJIVXUVRBFPQGI-UHFFFAOYSA-N	523.103	2.624	0	40	KFAB	
COC(=O)c1cccc(NC(=O)c2cn(C)nc2S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)c1	67338144	BSYMKNNOHYJXRZ-UHFFFAOYSA-N	511.604	2.587	0	40	KFAB	
Cc1ccc(N2CCN(C(=O)CN3N=C(c4nc(-c5ccc6c(c5)OCO6)no4)CCC3=O)CC2)c(C)c1	72329736	FHFMWEYNMZFETR-UHFFFAOYSA-N	516.558	2.757	0	40	KFAB	
COC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)sc2cc(S(N)(=O)=O)ccc21	100876702	JKKKWSPMLFLUEG-RFBIWTDZSA-N	596.753	2.567	0	40	KFAB	
CCOC(=O)C1CCN(S(=O)(=O)c2cccc3c(S(=O)(=O)N4CCC(C(=O)OCC)CC4)cccc23)CC1	101031258	ZMRQHWFKHGEOKT-UHFFFAOYSA-N	566.698	2.767	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O	222801617	BZIYACOPIHQAEW-CQSZACIVSA-N	502.420	2.931	0	40	KFAB	
COc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	224206320	SIMYHQKCMAOUSG-UHFFFAOYSA-N	561.682	2.644	0	40	KFAB	
Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)s1	224215144	GXGXBYYRPCJSDW-UHFFFAOYSA-N	507.619	2.684	0	40	KFAB	
CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	225401044	UWBGRDNSJKQMGN-QFIPXVFZSA-N	535.663	2.812	0	40	KFAB	
CNS(=O)(=O)c1ccc(C)c(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)c1	226008062	NOAVAUQKTJNGKI-UHFFFAOYSA-N	505.593	2.872	0	40	KFAB	
COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)C(c3ccccc3)c3ccccc3)C2)c(OC)c1	408651843	FIQHKPJSTDYJLX-OAQYLSRUSA-N	531.565	2.897	0	40	KFAB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(C(=O)O)cc4)c(=O)n32)cc1OCC	408932703	DPXNJLGLYAYQJT-ZAAFRKLLSA-N	508.552	2.514	0	40	KFAB	
COCCn1nnnc1[C@H](c1cc2cc(C)c(C)cc2[nH]c1=O)N1CCN(Cc2cccc(OC)c2)CC1	20083696	OIRJCTJSAPIOGY-SANMLTNESA-N	517.634	2.694	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)c1cc(C)n(C[C@@H]2CCCO2)c1C	25397052	IRHWSLBIONOMJZ-FQEVSTJZSA-N	504.605	2.653	0	40	KFAB	
COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)C1	59838646	ZAYXMVVXQLTNDA-NRFANRHFSA-N	535.688	2.505	0	40	KFAB	
CC[C@@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@H](Cc1ccccc1)C(=O)O	70706613	HVHVKUFUIIQCAU-WWKAFPJRSA-N	570.646	2.817	0	40	KFAB	biogenic
CCN(C(=O)COC(=O)c1ccccc1OCc1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	97982429	CBVQMEPESMCUAJ-UHFFFAOYSA-N	528.565	2.956	0	40	KFAB	
CN(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccncc1)S(C)(=O)=O	223116630	CZEBRULOAYHAHM-DEOSSOPVSA-N	529.062	2.883	0	40	KFAB	
CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	225029918	MOXQETZPIVDFCL-IBGZPJMESA-N	533.647	2.566	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	225222733	AACLBXDQUSCVLU-ZWKOTPCHSA-N	523.627	2.941	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1	225429939	BVTTXYOMEHFRGR-LJQANCHMSA-N	541.601	2.956	0	40	KFAB	
CCOc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1	225655865	PYHBUHXUYWQZOO-IBGZPJMESA-N	505.637	2.802	0	40	KFAB	
COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NC[C@H]3COc4ccccc4O3)Oc3cc(C)ccc32)cc1	260899345	KXLVRYIFMHGQQF-DFBJGRDBSA-N	510.568	2.916	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	260944332	JCVPPUGUDYLESL-CVDCTZTESA-N	547.674	2.955	0	40	KFAB	
CCOc1ccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NCCCn4ccnc4)CC3=O)cc2)cc1	408579463	NQBFDHGEPCFGSG-HXUWFJFHSA-N	505.575	2.859	0	40	KFAB	
CC(C)C[C@H]1COc2ccc(Cl)cc2C(=O)NCCCCN(C(=O)CCN2CCCC2=O)CC(=O)N1	643556383	JJTNKGOORCEEIC-FQEVSTJZSA-N	521.058	2.614	0	40	KFAB	
C[C@@H]1NC(=O)C[C@@H](C(=O)NCCCc2ccccc2)NC(=O)c2ccccc2OC[C@H](Cc2ccccc2)N(C)C1=O	643566560	UJZZYCGNFFLHKV-WSHBGFIESA-N	570.690	2.891	0	40	KFAB	
COc1ccccc1CCC(=O)N1CCCCC2(CCN(Cc3ccccn3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1	643580695	MTCIFJPEJDOFEE-RRPNLBNLSA-N	553.700	2.973	0	40	KFAB	
CCCCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NC2CCCC2)CC(=O)N[C@@H](CC(C)C)C1=O	643913320	QUHYACRROGDCNR-GOTSBHOMSA-N	514.667	2.786	0	40	KFAB	
C[C@H](OC(=O)[C@H](C)Oc1ccc(-c2coc3cc(O[C@H](C)C(=O)O[C@H](C)C(=O)O)cc(O[C@H](C)C(=O)O[C@H](C)C(=O)O)c3c2=O)cc1)C(=O)O	2060993796	ZQYXYHRZMDDTPS-SWAOIJHYSA-N	702.618	2.811	0	40	KFAB	
O=C1C[C@H](N(O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C(=O)N1c1ccc(Br)cc1	2263369	PBHHHOHGJFUHIU-HOTGVXAUSA-N	537.164	2.867	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	8438744	SAQQJAPJHFATMU-MFUBYVTQSA-N	524.595	2.920	0	40	KFAB	
Cc1ccc(C(OC[C@@H]2O[C@H](n3ncc(N)nc3=O)[C@@H](O)[C@@H]2O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1	12656163	WINPBGKQLPWUPD-WHENYANWSA-N	528.609	2.774	0	40	KFAB	biogenic
CO[C@H]1O[C@H](CNC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H](OC)[C@H]1NC(=O)c1ccccc1	39945492	AQQYYMVCHAXJFN-YVXTWPRQSA-N	518.566	2.827	0	40	KFAB	
COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(c3ccccc3OC)CC2)cc1OC	59929405	NGELGEUOTADWFD-QHCPKHFHSA-N	539.654	2.951	0	40	KFAB	
COc1cc(C=C(C(=O)NC[C@@H]2CCCO2)C(=O)NC[C@@H]2CCCO2)ccc1OCC(=O)Nc1ccc(C)cc1	97981421	VDIIXQJBOSERJM-ZEQRLZLVSA-N	551.640	2.995	0	40	KFAB	
O=C(c1ccccc1)N1CCN(CC[C@H](O)COc2ccc(OC[C@@H](O)CCN3CCN(C(=O)c4ccccc4)CC3)cc2)CC1	102448212	JIDZGGPXUDKLPQ-ACHIHNKUSA-N	630.786	2.862	0	40	KFAB	
CC(C)(C)N(CC(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1)CC(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1	102771263	VRNMEBIAOPQFOM-DQEYMECFSA-N	575.753	2.528	0	40	KFAB	
CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)c2)CC1	103030870	UUWVIZDYJXHTCQ-UHFFFAOYSA-N	543.092	2.932	0	40	KFAB	
O=c1n(-c2ccccc2)c(=O)n2n1[C@@H]1[C@H]3C4C5[C@]16C[C@@H]1[C@H](C[C@@]56[C@H]2[C@@H]43)C1(Br)Br	104283810	KDSIPDSSIYSVPH-KOUZUBRWSA-N	503.194	2.914	0	40	KFAB	
COc1ccc(OC)c(N(CC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	113635144	YCSFVWZKYJCRLU-UHFFFAOYSA-N	633.745	2.758	0	40	KFAB	
CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)O[P@](=O)(O)C(Cl)(Cl)P(=O)(O)O)[C@@H](O)[C@@H]1O	199277360	PAEBIVWUMLRPSK-GCDPNZCJSA-N	776.366	2.851	0	40	KFAB	
CSc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cccc(CN4CCOCC4)c3)CC2)cc1	224742336	MFSVMWVAYVAHKV-UHFFFAOYSA-N	503.690	2.958	0	40	KFAB	
CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N[C@H](CCCNC(=N)N)C(=O)Nc1ccccc1	242701492	WFUSENHCPDYHMT-PKTNWEFCSA-N	599.736	2.555	0	40	KFAB	
COC(=O)/C=C/CC/C=C/[C@H](OC)[C@H](O)[C@H](C)/C=C(/C)[C@H](O)[C@@H](C)C(=O)CCC[C@H](CC(N)=O)CC(=O)OC	252514136	BJMXBTRNBWZGEQ-WOWPPGERSA-N	553.693	2.801	0	40	KFAB	biogenic,in-vitro
CCn1c(C)nc2cc(C(=O)N3CCC4(CC3)COC[C@@](C)(O)[C@H](n3cnc5c(N)ncnc53)C4)ccc21	257294621	QUYRXQRSONYPJC-QFQXNSOFSA-N	518.622	2.722	0	40	KFAB	
O=C(COc1ccc(N2C[C@H](C(=O)NCCCN3CCOCC3)CC2=O)cc1)Nc1ccc(Br)cc1	408574164	CRAPJVJEHZVBKW-LJQANCHMSA-N	559.461	2.658	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/[C@@H]3C(=O)NC(=S)N(c4ccccc4)C3=O)c(=O)n2[C@@H]1c1ccccc1OC(C)C	408824544	IFCWJTMGFYCRNE-DDFBJSMGSA-N	604.710	2.601	0	40	KFAB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cccc(OC)c4O)c(=O)n32)cc1OCC	408937483	QTBGGDPDCSSPHP-MUIAGPEESA-N	510.568	2.530	0	40	KFAB	
O=C(C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	409052045	GBICHICXABDMOR-UHFFFAOYSA-N	550.475	2.923	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br	409174172	LTKHCGXPONOJJU-ATSBRCBQSA-N	716.607	2.824	0	40	KFAB	
COc1ccc(CN2CCN(C(C)=O)C[C@](O)(COc3ccc(C)cc3)C2)cc1OCCn1ccnc1	585273887	FMBHUQDTQOLYOI-NDEPHWFRSA-N	508.619	2.753	0	40	KFAB	
CCOc1ccc(CCCNC(=O)[C@@H]2CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N(C)CCOc3ccccc3C(=O)N2)cc1OC	643567708	RHDBBNMXWRSYNF-NSOVKSMOSA-N	646.741	2.615	0	40	KFAB	
CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)NCCOc2ccccc2C(C)C)NC(=O)c2ccccc2OCCN(C)C1=O	1615107299	LQZQUDMNBJHCOT-DQEYMECFSA-N	566.699	2.875	0	40	KFAB	
C[C@@H](O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)Nc1ccc(SC(F)F)cc1	3314758	DHLUEOUWTDOUAN-PIGZYNQJSA-N	508.952	2.864	0	40	KFAB	
O=C(O)COc1ccc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1Br	4480232	RKGDIHKJYJTSEX-HPMPDSITSA-N	544.811	2.869	0	40	KFAB	
CCN(C(=O)CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1)[C@H]1CCS(=O)(=O)C1	12546744	TYHNAWQUXVXTNY-SFHVURJKSA-N	500.602	2.791	0	40	KFAB	
CC(C)CN(C(=O)COC(=O)c1ccc2ccccc2n1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	12849528	JRVNNYZASZAILB-UHFFFAOYSA-N	501.543	2.561	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1OC	28296188	TZLGWYKNUITBDC-NWKGEQBZSA-N	510.568	2.530	0	40	KFAB	
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C1C(C(=O)OCC)=C(C)NC(C)=C1C(=O)OCC	35183164	FXODEOMXOWNXNS-UHFFFAOYSA-N	504.580	2.774	0	40	KFAB	
COc1cc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)o2)cc(OC)c1OC	97963817	ZGSPGHPFNYDOJC-HUUCEWRRSA-N	532.575	2.813	0	40	KFAB	
CCC[C@H](C(=O)NC1CCCCC1)N(CCCN1CCOCC1)C(=O)C[S@@](=O)CC(=O)Nc1ccc(C)cc1	100331173	YBGQAVUONAYUOD-FMARWTIOSA-N	562.777	2.851	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	222758466	XSFGQYQSWJHCAC-CYBMUJFWSA-N	516.403	2.651	0	40	KFAB	
CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	222883638	DVGFXYALWGOHEU-QHCPKHFHSA-N	547.674	2.955	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C)c1	224440135	KEKHCCVWASSMSS-KRWDZBQOSA-N	511.591	2.929	0	40	KFAB	
CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	224897805	WRLLZIOWIGUKNZ-HSZRJFAPSA-N	547.674	2.812	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	225029878	MOXQETZPIVDFCL-LJQANCHMSA-N	533.647	2.566	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(CC(=O)NCCN2CCOCC2)Cc2ccc(Cl)cc2Cl)cc1	408624351	SOYRSMWNLHPUFW-UHFFFAOYSA-N	500.448	2.941	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/[C@H]3C(=O)N(c4ccccc4)N=C3C)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1	409013547	BFNGVLGVKAZESE-RKFWSAHQSA-N	590.658	2.815	0	40	KFAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(O)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC	409107783	QLIVLZJJNLYZEE-NLZIUFDSSA-N	537.638	2.835	0	40	KFAB	
COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(I)c1OC	409200688	JSMHGYCGHGGGLG-OVCLIPMQSA-N	525.274	2.979	0	40	KFAB	
O=C(C[C@@]1(COc2ccc(F)cc2)CN(C(=O)COc2ccc(Cl)cc2)CCO1)N1CCOCC1	585283644	FZULNPQZCVXIPC-VWLOTQADSA-N	506.958	2.783	0	40	KFAB	
Cc1ccc(C(=O)N2CCCCC3(CCN(Cc4ccccn4)CC3)C(=O)OC[C@@H](O)[C@@H](O)CC2)cc1	643580406	GTUNGCISDSIOCD-IZZNHLLZSA-N	509.647	2.954	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)OCO4)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	8424337	OLHWOCDKJXJGIT-YLVTVWEBSA-N	508.552	2.544	0	40	KFAB	
CCCCCN(C(=O)CCC(=O)OCC(=O)N1[C@@H](C)CCC[C@@H]1C)c1c(N)n(CCCC)c(=O)[nH]c1=O	12897467	LPIKHZTUYDISMQ-OALUTQOASA-N	521.659	2.555	0	40	KFAB	
COCCCNC(=O)CSC1=Nc2ccccc2C2=N[C@@H](CCC(=O)NCc3ccccc3)C(=O)N12	20642808	MZSHONGTBUHSII-NRFANRHFSA-N	507.616	2.628	0	40	KFAB	
O=C(NC[C@H]1CCCO1)[C@@H](c1ccco1)N(Cc1ccc(F)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	33356881	LAWFSAQGLPPLSE-CJFMBICVSA-N	555.584	2.629	0	40	KFAB	
CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1)N(c1ccccc1)S(C)(=O)=O	38752057	AGOCCLCPIJWLCK-FQEVSTJZSA-N	503.606	2.769	0	40	KFAB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1	59837428	SNIMNZKTCQXLAW-UHFFFAOYSA-N	578.112	2.868	0	40	KFAB	
CC(C)[C@H]1OC(=O)/C=C\C=C/C=C\C=C/C=C/C[C@@H](O)[C@@H](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	100134858	GBVIQYQFMPWELT-SESKTEAMSA-N	650.850	2.795	0	40	KFAB	in-vitro
CCS(=O)(=O)N(CC(=O)N(Cc1ccc(OC)cc1)[C@@H](C)C(=O)NC(C)C)c1ccc2c(c1)OCCO2	225676713	RUVKGPMBCBSEJP-IBGZPJMESA-N	533.647	2.564	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(Cc1cccc(C)c1)[C@H](C)C(=O)NC(C)C)c1ccc2c(c1)OCO2	260707317	BJAAIXIQROEYON-LJQANCHMSA-N	503.621	2.822	0	40	KFAB	
COC(=O)c1cc(NS(=O)(=O)c2ccc(OC)c(I)c2)cc(C(=O)OC)c1	408606609	LBFNZDMGOAHQHQ-UHFFFAOYSA-N	505.286	2.674	0	40	KFAB	
COCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2	409267518	NCNKHSXIQDPJFZ-UHFFFAOYSA-N	543.573	2.807	0	40	KFAB	
O=C1c2ccccc2C(=O)N1CC(=O)N(CCc1c[nH]c2ccccc12)C1(C(=O)NCCCN2CCOCC2)CCSCC1	575443732	LBNYENGKXRHMCI-UHFFFAOYSA-N	617.772	2.940	0	40	KFAB	
COc1ccc([C@H]2OC[C@H]3O[C@@H](O[C@@H]4c5cc6c(cc5[C@H](c5cc(OC)c(O)c(OC)c5)[C@H]5C(=O)OC[C@H]45)OCO6)[C@@H](O)[C@@H](O)[C@@H]3O2)cc1	4429640	PYIDINPDCKPLKA-QTHBYIAQSA-N	680.659	2.700	0	40	KFAB	
COCCNC(=O)[C@H](c1ccc2ncccc2c1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(F)cc1	6136221	XPYPYARGCHRCDP-NRFANRHFSA-N	522.562	2.662	0	40	KFAB	
CCN(CC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)S(=O)(=O)c1ccc(OC)c(C)c1	20031286	XIAHBONWODGUHE-UHFFFAOYSA-N	523.677	2.505	0	40	KFAB	
Cc1cc(C)cc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)S(C)(=O)=O)c1	44881020	TZDWWTDKKVCZEV-QGZVFWFLSA-N	503.606	2.687	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@@H](Oc2cc(OC(C)=O)c3c(=O)c(-c4ccc(OC(C)=O)c(OC(C)=O)c4)coc3c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	150343758	WSMQBJMPWPNLTJ-OVVQRNIHSA-N	742.639	2.698	0	40	KFAB	
COc1cc([C@@H]2c3cc4c(cc3[C@H](O[C@@H]3O[C@@H]5CO[C@H](c6cccs6)O[C@@H]5[C@H](O)[C@@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O	150652469	NRUKOCRGYNPUPR-FHWYCIMSSA-N	656.662	2.753	0	40	KFAB	in-vitro
CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	223455175	GBJKPEPKJUEVAO-LJQANCHMSA-N	533.647	2.914	0	40	KFAB	
CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	223546140	INRYDVFUQBSRRY-FQEVSTJZSA-N	517.648	2.948	0	40	KFAB	
CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OCC)cc1)S(C)(=O)=O	224989150	RLHGIWLYIPMRGJ-IBGZPJMESA-N	505.637	2.803	0	40	KFAB	
CCCN1C(C)=NS(=O)(=O)c2cc(C(=O)NCCc3ccc(S(=O)(=O)N4CCCC4)cc3)ccc21	226094776	MBKNEWGJKRKHCB-UHFFFAOYSA-N	518.661	2.781	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	260936212	YDMDKQBPLLRWNV-MOPGFXCFSA-N	505.637	2.802	0	40	KFAB	
COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCN1CCOCC1)c1ccc(Cl)c(Cl)c1	408625576	WHGCOVYQNMUTJF-UHFFFAOYSA-N	516.447	2.954	0	40	KFAB	
CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1OC	408926373	NBZOAQQBYYVRPE-ZDZYTSRMSA-N	596.658	2.766	0	40	KFAB	
CO[C@@H]1CN(C(C)=O)C[C@@H](CC(C)C)N(C(=O)/C=C/c2cccc(C)c2)CCCCOC[C@@H](O)[C@H]1O	643551333	BOAHPWUOEGFZSF-KWNMUJSDSA-N	504.668	2.647	0	40	KFAB	
Cc1cc(C)n(CCC(=O)N2CCC3(CCCCOCCNC(=O)c4ccccc4OC3)CC2)c(=O)n1	643563849	BCCSVFNGTDPBDE-UHFFFAOYSA-N	510.635	2.868	0	40	KFAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)NCCOc2ccc(C)cc2C)CC(=O)N[C@H](CC(C)C)C1=O	643579085	PCFUSCMBVRNOQN-LOSJGSFVSA-N	566.699	2.759	0	40	KFAB	
CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)NC(C1=C(O)[C@@H]3[C]4CC[C@H](C4)[C@@H]3N(Cc3ccc(F)cc3)C1=O)=N2	1560406748	WLYJUJBMWPROPD-QPJICYPMSA-N	559.621	2.747	0	40	KFAB	
O=c1[nH]c2cc3c(cc2cc1CN(CCCN1CCOCC1)C(=S)NCc1ccccc1)OCCO3	891248	XLXKYTMZGUODGF-UHFFFAOYSA-N	508.644	2.898	0	40	KFAB	
COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(Cc2ccco2)C(=O)CNC(=O)c2ccco2)cc1OC	12485592	HTDCNYSXNWOXKA-KBMIEXCESA-N	525.558	2.685	0	40	KFAB	
C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)cc2)C[C@@H](C)O1	13306076	LDGPFPLMTLEAFH-OKILXGFUSA-N	509.631	2.750	0	40	KFAB	
COc1ccc(OC)c(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1	59607365	XQFXCHROSDKOTB-NDEPHWFRSA-N	585.705	2.767	0	40	KFAB	
COC(=O)c1ccc2c(=O)n(CCC(=O)NCCN3CCN(c4cccc(Cl)c4)CC3)c(=S)[nH]c2c1	101623599	AWZMUAHAXKCCCI-UHFFFAOYSA-N	530.050	2.828	0	40	KFAB	
Cc1ccc(NC(=O)CN2C(=O)NC(Cc3ccccc3)(Cc3ccccc3)C2=O)cc1S(=O)(=O)N1CCOCC1	103139443	FPALUURJMWYYPZ-UHFFFAOYSA-N	576.675	2.730	0	40	KFAB	
CN(C)c1ccc([C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)N(CCCC(=O)O)C(=O)[C@@H]54)[C@@H]23)cc1	105685439	FWPPYSXVNCBZKQ-UOBXGPKCSA-N	513.641	2.841	0	40	KFAB	
CS(=O)(=O)[C@H](C1=Nc2nnc(NC(=O)Nc3ccc(Cl)cc3)n2C1=O)C1=NC(=O)c2nnc(NC(=O)Nc3ccc(Cl)cc3)n21	150598091	QVLOLTXLYPSOKC-OAHLLOKOSA-N	671.443	2.705	0	40	KFAB	
CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O	222801688	BZIYACOPIHQAEW-AWEZNQCLSA-N	502.420	2.931	0	40	KFAB	
COCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	223438054	NXIRNSROEFHUHY-GDLZYMKVSA-N	599.681	2.758	0	40	KFAB	
CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O	224065033	HLASBQXPPOQDJA-KRWDZBQOSA-N	510.454	2.811	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCN(Cc2ccc(Cl)cc2)CC1	224478604	IXFFMMZOKVFEIX-UHFFFAOYSA-N	522.067	2.768	0	40	KFAB	
C[C@H]1C[C@@H](C)CN(c2cc(N3CCN(c4ccccc4)CC3)nc(NC(=S)NCCN3CCOCC3)n2)C1	225904641	ANXBYNKXVBRMEG-ZRZAMGCNSA-N	538.766	2.904	0	40	KFAB	
COc1cccc(OC)c1C(=O)NN1C[C@@H](C(=O)OCC(=O)Nc2ccc(Br)cc2Cl)CC1=O	408658226	QHZJXSDITGUNEU-LBPRGKRZSA-N	554.781	2.795	0	40	KFAB	
CS(=O)(=O)N(CCCC(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccc2c(c1)OCO2	408703760	GUYYVLAQHCFOQE-GOSISDBHSA-N	503.577	2.509	0	40	KFAB	
COc1cc(CN2CCN(C(C)=O)C[C@@](O)(COc3ccc(F)cc3)C2)ccc1OCCn1cc(C)cn1	585279499	CYRILQOGFMDCEM-MUUNZHRXSA-N	526.609	2.892	0	40	KFAB	
CCn1cc(NC(=O)CN2CC[C@@H]3NC(=O)[C@@H](Cc4ccccc4)NC(=O)C4(CC=CC[C@@H]3C2)CCOCC4)c(C)n1	1615126193	JTKPSVLOJHWYOS-KWXIBIRDSA-N	576.742	2.831	0	40	KFAB	
C[C@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1C	883785	RRFSIKVHHJDAHA-KRWDZBQOSA-N	513.645	2.573	0	40	KFAB	
COc1ccc(CCNC(=O)c2c(N)n(-c3ccc(S(N)(=O)=O)cc3)c3nc4ccccc4nc23)cc1OC	2290426	CSEWFWXJDBRZNS-UHFFFAOYSA-N	546.609	2.793	0	40	KFAB	
COc1ccc(S(=O)(=O)N2C[C@@H]3C[C@H](C2)c2ccc(NS(=O)(=O)c4cccs4)c(=O)n2C3)cc1	4150099	PEYGYCMSDVVLAB-JKSUJKDBSA-N	521.642	2.527	0	40	KFAB	biogenic,in-vitro
O=C(CNc1ccccc1I)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1	21964505	VUENZTUYSNSXLW-WSDLNYQXSA-N	509.304	2.598	0	40	KFAB	
CCN(C(=O)COC(=O)CCCc1c[nH]c2ccccc12)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	32666479	FRFZBAYHCPSNJC-UHFFFAOYSA-N	503.559	2.567	0	40	KFAB	
CC(=O)OC[C@H]1O[C@@H](Oc2cccc(Oc3ccccc3)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	35182990	FFJCMQMRBBJWRR-ABYVZCGDSA-N	516.499	2.941	0	40	KFAB	
CC(=O)OC[C@H]1O[C@@H](NC(=S)Nc2ccc(Oc3ccccc3)cc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	101462053	RPGZUPIDELFEPL-PUHDZGQXSA-N	574.608	2.848	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(S(=O)(=O)Nc4ccccn4)cc3)C2)cc1	215986114	XBTKCRHWRYJRGT-GOSISDBHSA-N	530.628	2.930	0	40	KFAB	
COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1	216257204	KULMKZSSUSMYAA-UHFFFAOYSA-N	527.640	2.702	0	40	KFAB	
COC(=O)CSc1nnc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccc(OC)cc3)c3ccc(C)cc3O2)s1	222701325	FBTRRUHZXUVVBJ-GOSISDBHSA-N	550.640	2.715	0	40	KFAB	
C[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	224095944	CBJRHEAJXOXFHR-LJQANCHMSA-N	515.632	2.700	0	40	KFAB	
COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)Oc3ccc(Cl)cc32)cc1	224478078	CJOSKPAVRLHFBF-MHZLTWQESA-N	652.147	2.521	0	40	KFAB	
O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1)NCCSc1ncn[nH]1	226006840	SHYDALCKSMVLKD-UHFFFAOYSA-N	502.460	2.799	0	40	KFAB	
Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc4c(c3)OCO4)S(C)(=O)=O)cc2)cc1	408546469	STWNRPQAKYDBHG-UHFFFAOYSA-N	517.585	2.929	0	40	KFAB	
CC(C)[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCc2cccc(CN3CCOCC3)c2)CCC(=O)NC2(CCCC2)C(=O)N1	643571566	GDTGRCBPHPHZSD-VMPREFPWSA-N	633.790	2.676	0	40	KFAB	
O=CN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2C=CCOc2ccccc2CN(Cc2ccc(F)cc2)CC3=O)CC1	958317825	QAZDDQIWCVHSMZ-UIOOFZCWSA-N	548.659	2.932	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3O)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	2314692	YSXSBHQOCLWXQI-CVGPFBNFSA-N	524.595	2.920	0	40	KFAB	
CCOC(=O)CNC(=O)[C@@H](c1c[nH]c2ccccc12)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1C	6546602	HAXNEMAMHGGROG-JOCHJYFZSA-N	534.598	2.681	0	40	KFAB	
COCCn1c(C)cc(O)c(C(c2ccc(OC)c(OC)c2)c2c(O)cc(C)n(CCOC)c2=O)c1=O	9189917	PQZPKURMQCLION-UHFFFAOYSA-N	514.575	2.528	0	40	KFAB	
CC[C@H](C)[C@H](NC(=O)C1CCN(C(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)CC)CC1)C(=O)O	12866302	AFRSLTBASRDXLU-KSCDAYEDSA-N	509.669	2.542	0	40	KFAB	biogenic
CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(=O)[C@@H](NC(=O)c1cc(C)on1)C(C)C)Cc1ccc(F)cc1	28525892	CAYJBRBGZBCZKO-ZJHKDTCGSA-N	598.672	2.825	0	40	KFAB	
CCOC(=O)Nc1ccc2c(c1)CC1(C(=O)N(C)C(=O)N(C)C1=O)[C@@H]1CN(c3ccccc3OC)CCN21	35808639	UFCMOTUCRQXMBQ-QFIPXVFZSA-N	521.574	2.552	0	40	KFAB	
CCOC(=O)c1sc(NCCCOC)nc1CSc1nc2ccccc2c(=O)n1CC(=O)OC	36612143	OXUDSJCNGJRZLN-UHFFFAOYSA-N	506.606	2.943	0	40	KFAB	
CC(C)CN(C(=O)COC(=O)c1ccc(Br)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	38152228	CEKVZHVTZWIFMA-UHFFFAOYSA-N	529.391	2.776	0	40	KFAB	
CCOC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)sc2cc(S(N)(=O)=O)ccc21	100877687	PKSPPDTXGDWNGT-RFBIWTDZSA-N	594.737	2.608	0	40	KFAB	
O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C[C@H]1CCCO1)N1CCc2ccccc2C1)OCCO3	222469144	ZGQKBYCRRUPGEL-NLFFAJNJSA-N	500.559	2.613	0	40	KFAB	
COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H](C)C(=O)NCCc2ccccc2)cc1	222933556	BKNPQKZHPQAPQD-XMMPIXPASA-N	595.718	2.871	0	40	KFAB	
CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O	224998112	DGQBLJPNPCLMNF-IBGZPJMESA-N	533.647	2.914	0	40	KFAB	
CNS(=O)(=O)c1ccc(C)c(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)c1	225997551	SZNSPQOHVGNPMW-UHFFFAOYSA-N	501.630	2.775	0	40	KFAB	
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(C)C)C(N)=O	245377414	KXYQTNFTLYPKFE-FKBYEOEOSA-N	515.655	2.761	0	40	KFAB	
CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	260944334	JCVPPUGUDYLESL-XXBNENTESA-N	547.674	2.955	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)ccc3O)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	408718866	QUAITMYYNNSCHZ-BYHQVZLYSA-N	590.395	2.837	0	40	KFAB	
COc1cccc(CCCNC(=O)[C@@H]2CCC(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N[C@@H](CC(C)C)COc3ccccc3C(=O)N2)c1	643571872	ORLPYNGVJMVSPF-NSGJQZOKSA-N	663.816	2.696	0	40	KFAB	
CCN1CC(=O)N(C)CC(=O)N[C@H](Cc2ccccc2)COc2ccccc2C(=O)N[C@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)CC1=O	643574596	CPQCDXUBHAJARX-BHYZAODMSA-N	715.823	2.606	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC)cc1	2164087	RVSFQVOUVQGBBB-GLSAMTQTSA-N	552.605	2.669	0	40	KFAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)c4nn(C)c(C(F)(F)F)c4Br)[C@H]3SC2)s1	2784627	JEQZXDUZWMVFNC-YMTOWFKASA-N	599.436	2.506	0	40	KFAB	
COc1cc(-n2c(=O)c3ccccc3n(CC(=O)N3CCN(c4ccccc4)CC3)c2=O)cc(OC)c1OC	4790069	SPAKFEQXLIJWNN-UHFFFAOYSA-N	530.581	2.527	0	40	KFAB	
COc1cc(C(=O)Nc2ccc(C(C)=O)cc2)ccc1O[C@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	8431872	ZLAQSJKIEJDEJR-YKWXTOPISA-N	615.588	2.612	0	40	KFAB	
COc1ccc(/C=C/C(=O)NCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2C)cc1OC	10041579	IKPDVOZMYBMATR-VZUCSPMQSA-N	512.548	2.801	0	40	KFAB	
CCOC(=O)COc1cc(S(=O)(=O)N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)ccc1OC	12413387	XNOWVFDKHMKCHY-UHFFFAOYSA-N	520.648	2.686	0	40	KFAB	
CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCOC)N3CCN(Cc4ccccc4OC)CC3)cc2c1	20082517	UZHKSQVUCLZESA-SANMLTNESA-N	517.634	2.639	0	40	KFAB	
COc1ccccc1-c1nn2c(=O)cc(CN3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)nc2s1	34871831	ZNPDSFUXHORSLX-UHFFFAOYSA-N	511.629	2.642	0	40	KFAB	
CCNC(=O)[C@@H]1CCCN(c2nc3ncn(CC(=O)Nc4ccccc4Br)c(=O)c3s2)C1	71326295	JKSQEUBBINLHCG-CYBMUJFWSA-N	519.425	2.607	0	40	KFAB	
O=c1cccc2n1C[C@H]1C[C@H]2CN(S(=O)(=O)c2ccc3c(c2)OCCOCCOc2ccc(S(=O)(=O)N4C[C@@H]5C[C@H](C4)c4cccc(=O)n4C5)cc2OCCOCCO3)C1	150520031	VEWPBOOJCZBIIR-RTNMLALUSA-N	864.996	2.888	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O	222507136	PQNDYYZFNMQXNP-CQSZACIVSA-N	502.420	2.931	0	40	KFAB	
CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O	222818882	JIFYWODWWPIASX-HSZRJFAPSA-N	505.637	2.802	0	40	KFAB	
CCOc1ccccc1N(CC(=O)N(Cc1cccc(OC)c1)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O	225655819	CTPKJGVILCQAIN-IBGZPJMESA-N	505.637	2.802	0	40	KFAB	
COC(=O)c1cc(NC(=O)C[C@@H]2C(=O)N[C@@H]3CCCC[C@H]3N2C(=O)Nc2ccccc2)cc(C(=O)OC)c1	250430461	RQPJYDGWYLOZKI-YPAWHYETSA-N	522.558	2.932	0	40	KFAB	
COc1ccc(CN(C(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)[C@H](C)C(=O)NC(C)C)cc1	260744115	NRNOTVRTGJOQKR-LJQANCHMSA-N	533.647	2.912	0	40	KFAB	
CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	260964181	LOQIDMVWMBWQQU-OALUTQOASA-N	503.621	2.556	0	40	KFAB	
COC(=O)c1cc(OC)c(OC)cc1NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl	408589921	GLOLYGZGVDIQKS-UHFFFAOYSA-N	512.968	2.946	0	40	KFAB	
Cc1ccc(S(=O)(=O)N(CC(=O)NCCN2CCOCC2)Cc2ccc(Cl)c(Cl)c2)cc1	408624281	VJCVSMXIYZPMSZ-UHFFFAOYSA-N	500.448	2.941	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3C)OCO4)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	408991897	ZIFRDWPFRUWSBU-WNOXZJQASA-N	506.536	2.564	0	40	KFAB	
CCn1c(CNC(=O)Cc2ccc(OC)cc2)nnc1SCC(=O)N1CCN(c2ccccc2)CC1	409364181	VSXRDPPDMBBKEO-UHFFFAOYSA-N	508.648	2.606	0	40	KFAB	
COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cc(Br)cc(OC)c3O[C@H](C)C(=O)OC)C2=O)o1	409398494	BJWLRJDJOBOALU-OXFWXOROSA-N	537.319	2.871	0	40	KFAB	
C[C@H]1COCCCCC2(CCN(C(=O)CCc3nc4cccc(Cl)c4n3C)CC2)C(=O)N[C@@H](C)C(=O)N1	643564225	ZOBWSWDOHAIYTL-OALUTQOASA-N	532.085	2.978	0	40	KFAB	
CC(C)C[C@@H]1NC(=O)C[C@@H](C(=O)NCCCN2CCCCCC2)NC(=O)c2ccccc2OCCCNC(=O)[C@H](Cc2ccccc2)NC1=O	643575791	LOKKXKBIANREPR-CPCREDONSA-N	690.886	2.715	0	40	KFAB	
COc1cccc(N(C(=O)c2cc(=O)[nH]c(=O)[nH]2)[C@H](C(=O)NCc2ccccc2)c2ccc(F)cc2)c1	1325678	ORPLYOKECHBRBH-DEOSSOPVSA-N	502.502	2.915	0	40	KFAB	
COc1ccc(-n2nc3c(c2NC(=O)c2ccc(S(=O)(=O)N4CCCC4)cc2)C[S@](=O)C3)cc1	6184148	OKDOLXMSNMKWJO-MGBGTMOVSA-N	500.602	2.680	0	40	KFAB	
CN(C)c1ccc(NC(=O)[C@@H](c2csnn2)N(C(=O)CN2C(=O)c3ccccc3C2=O)C2CC2)cc1	8695986	JDJDELSAOPFEEW-JOCHJYFZSA-N	504.572	2.571	0	40	KFAB	
COc1ccc(OC)c(N(CC(=O)NCCCN2CCCCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	10278612	LVNVOLQZWQRSDS-UHFFFAOYSA-N	535.663	2.909	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(OC)cc(OC)cc3OC)c(=O)n2[C@H]1c1ccccc1OC	16682385	MUMDKJODXSFJSQ-XPCGLTFESA-N	524.595	2.833	0	40	KFAB	
Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4ccc(O)cc4)CC3)cc2c1	19941633	LYAPTNPRVDHCIP-BVAGGSTKSA-N	515.618	2.928	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCN(S(=O)(=O)Cc4ccc(Br)cc4)CC3)CC2)cc1	60028656	HIXBLBSAWMJMLZ-UHFFFAOYSA-N	584.558	2.832	0	40	KFAB	
Cc1cn2c3c(=O)n(Cc4ccc(Cl)cc4Cl)c(=O)n(C)c3nc2n1CCCN1CCOCC1	96306505	YQNAICXLKKVMMR-UHFFFAOYSA-N	505.406	2.535	0	40	KFAB	
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3ccc(COc4ccc(Br)cc4)o3)[C@@H]2SC1	97966043	FYXQHTSRNCKMOY-UTKZUKDTSA-N	551.371	2.536	0	40	KFAB	
CCOC(=O)C1=C(N)n2c(s/c(=C/c3ccccc3Cl)c2=O)=C(C(=O)OC)[C@H]1c1ccccc1Cl	97968557	LESYMUNRTNKHTN-WQJNHMDYSA-N	531.417	2.857	0	40	KFAB	
COc1cccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)c1OC	100468892	CDOUNSYTQPAZQT-OAQYLSRUSA-N	557.591	2.739	0	40	KFAB	
CCOC(=O)C1=c2s/c(=C\c3cccc(OC)c3)c(=O)n2C(N)=C(S(=O)(=O)c2ccccc2)[C@H]1c1cccc(OC)c1	101485358	DBFIHASHGNEZHJ-LUPSEXQWSA-N	604.706	2.826	0	40	KFAB	
CCOc1ccc(S(=O)(=O)N2CCN([C@@H]3CC(=O)N(c4ccccc4C(F)(F)F)C3=O)CC2)cc1	102988082	VEFVPOUUIKZWSO-HXUWFJFHSA-N	511.522	2.743	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O	224044611	PERJNESTRDHMPA-IBGZPJMESA-N	505.637	2.803	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	225029778	LGLKDHYYVJTGRL-GOSISDBHSA-N	519.620	2.524	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O	225364695	ISDGXNBIWRWDDJ-RTBURBONSA-N	517.648	2.996	0	40	KFAB	
CN(Cc1nc(-c2cccc(Br)c2)no1)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1	225565417	XNQQBGCSIPVGDH-UHFFFAOYSA-N	521.393	2.792	0	40	KFAB	
COc1ccc(S(=O)(=O)N2C[C@H](C(=O)NC[C@@H]3COc4ccccc4O3)Oc3cc(C)ccc32)cc1	260899350	KXLVRYIFMHGQQF-KBMIEXCESA-N	510.568	2.916	0	40	KFAB	
COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(F)ccc2OC)C1	408713572	IFWNHGRDIYAPIF-AWEZNQCLSA-N	510.540	2.678	0	40	KFAB	
CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1	409348696	ONPNIKNEADEYHD-UHFFFAOYSA-N	516.041	2.644	0	40	KFAB	
COc1cc(CN2CCN(C(C)=O)C[C@@](O)(COc3ccc(F)cc3)C2)ccc1OCCn1ccnc1	585274968	SJIPPXVARQQMSD-HHHXNRCGSA-N	512.582	2.584	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OCCn3cc(Cl)cn3)cc2)C[C@](O)(COc2ccccc2)C1	585280536	PFNYDSFDEDVFDR-HHHXNRCGSA-N	529.037	2.716	0	40	KFAB	
O=S(=O)(c1ccc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1)N1CCOCC1	922622	NVLDMSUKYIISMH-UHFFFAOYSA-N	541.695	2.803	0	40	KFAB	
COc1ccc(-n2ccc(=O)c(C(=O)Nc3ccc(S(=O)(=O)Nc4cc(C)nc(C)n4)cc3)n2)cc1	11913898	KCGMWJMBNRQTTL-UHFFFAOYSA-N	506.544	2.701	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)C[C@H](NC(N)=O)c2ccc(Cl)cc2)c1	12541633	RQIFPACUCYYAPL-INIZCTEOSA-N	517.391	2.525	0	40	KFAB	
CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2c1	22866298	DPPYJXCKBLBXPH-FIPFOOKPSA-N	573.654	2.728	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1	60060953	HLYWSILLGQLSCU-UHFFFAOYSA-N	539.651	2.799	0	40	KFAB	
COC(=O)c1ccccc1NC(=O)COC(=O)c1cccc(-n2nnnc2SCC(=O)Nc2ccccc2C(=O)OC)c1	101194827	NOACCMHAEHAWCQ-UHFFFAOYSA-N	604.601	2.762	0	40	KFAB	
COc1ccc(C[C@]2(CN3C[C@H]4C[C@H](C3)c3cccc(=O)n3C4)C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1	135935856	CZHXWJUFFYDJKV-ZGPNTQEDSA-N	556.619	2.797	0	40	KFAB	
C[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O	224253261	WRYKTFUQBLZATA-AWEZNQCLSA-N	538.475	2.593	0	40	KFAB	
CCS(=O)(=O)N(CC(=O)N(CCc1ccccc1)[C@H](C)C(=O)NC(C)(C)C)c1ccc2c(c1)OCO2	260797409	PLDVDUWPZVRSKQ-LJQANCHMSA-N	517.648	2.946	0	40	KFAB	
COc1ccc(CN(C(=O)CN(c2ccccc2OC)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCC2)cc1	260797907	OFFRRHYLDZUASK-LJQANCHMSA-N	517.648	2.946	0	40	KFAB	
CCOc1cc(/C=C2\SC(=O)N(CC(=O)OCC(C)C)C2=O)ccc1OCC(=O)N1CCOCC1	409198449	GCWBWEDDDPGRBH-NDENLUEZSA-N	506.577	2.558	0	40	KFAB	
CO[C@@H]1C[C@H](O[C@H]2CC[C@@]3(C)C(=CC[C@]4(O)[C@@H]3C[C@@H](OC(=O)c3ccc(O)cc3)[C@]3(C)[C@](O)(C(C)=O)CC[C@]43O)C2)O[C@H](C)[C@H]1O	2061000628	BBHWWOFPWSEYTP-RNCQBYIMSA-N	644.758	2.936	0	40	KFAB	
COc1cccc(-n2c(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)nc3sc4c(c3c2=O)CCCCC4)c1	3288210	RQBAAYSFAXCRRE-UHFFFAOYSA-N	553.666	2.679	0	40	KFAB	
CCOc1ccc2[nH]c(=O)c(CN(CCN3CCOCC3)C(=S)NCCCN(CC)CC)cc2c1	6193099	ZIERRZAEAJQWBM-UHFFFAOYSA-N	503.713	2.667	0	40	KFAB	
COCCNC(=O)[C@H](c1ccc2ncccc2c1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1C	6443976	CLQWIPFTDXFXAD-QFIPXVFZSA-N	518.599	2.832	0	40	KFAB	
CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1	9356113	WTYMZAYYYLNMSO-UHFFFAOYSA-N	513.641	2.800	0	40	KFAB	
Cc1ccc(S(=O)(=O)[C@@H](NC(=O)c2ccccc2)C(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1	36625558	TUISYNRTEWHNJP-RUZDIDTESA-N	505.596	2.509	0	40	KFAB	
COc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1S(=O)(=O)N1CCCCC1	59852310	MXLOGTZHVMKRPB-UHFFFAOYSA-N	535.688	2.974	0	40	KFAB	
Cc1cc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccccc2)ccc1-n1cnnn1	100334931	RITSVPRLOJZBMM-NEKDWFFYSA-N	551.611	2.785	0	40	KFAB	
COc1cc2c(=O)n(Cc3ccc(C(=O)NC(C)C)cc3)c(=O)n(CC(=O)N3CCCCCC3)c2cc1OC	101916251	GCPHCVYTRKWHBB-UHFFFAOYSA-N	536.629	2.770	0	40	KFAB	
COc1ccc(CNC(=O)[C@@H](c2ccccc2)N(Cc2ccccc2)C(=O)CN(C)S(C)(=O)=O)cc1	223330847	NPKUVEAVUGEWEV-AREMUKBSSA-N	509.628	2.973	0	40	KFAB	
CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O	223388410	GRNHRJPCPTYASP-HXUWFJFHSA-N	526.453	2.777	0	40	KFAB	
CNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	223505911	ZIHYUGFGNWARRT-MUUNZHRXSA-N	567.664	2.611	0	40	KFAB	
COc1ccc(CCNC(=O)c2ccccc2NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC	225093090	DIROAHVWXGWIRE-UHFFFAOYSA-N	571.652	2.953	0	40	KFAB	
CCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	225412672	LHVMQFSNJQICEY-HSZRJFAPSA-N	522.643	2.781	0	40	KFAB	
CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	225412711	LHVMQFSNJQICEY-QHCPKHFHSA-N	522.643	2.781	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC[C@](COc3ccccc3)(CC(=O)N3CCN(C)CC3)C2)cc1	257281564	OPWIUELPNUDOHI-SANMLTNESA-N	501.649	2.709	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\[C@H]3C(=O)N(c4ccccc4)N=C3C)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409039403	WLXLWKIHQPUUAX-JYQDGBOSSA-N	632.695	2.739	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C)c4ccc(Br)cc43)c(=O)n2[C@H]1c1ccccc1	409119356	TYGPSPXOZKZXBY-LCPUNJGISA-N	538.423	2.907	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(CC(=O)N4CCOCC4)c4ccccc34)c(=O)n2[C@H]1c1ccccc1	409151438	BJRUNXJSWMEOAF-DBLMTGOPSA-N	570.671	2.612	0	40	KFAB	
COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cc(Br)cc(OC)c3O[C@@H](C)C(=O)O)C2=O)o1	409399046	FMSZNPIXPMBEGL-UQDQQJHMSA-N	523.292	2.782	0	40	KFAB	
CCOC(=O)c1nn(-c2ccc(C)cc2)c(C)c1C(=O)C1=NO[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@H]12	4292703	FVVAQUCXNHYOMY-YKSBVNFPSA-N	516.510	2.802	0	40	KFAB	biogenic
O=C(CSc1nnnn1-c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1	8814359	IAEQZLRIWISSQQ-UHFFFAOYSA-N	502.969	2.637	0	40	KFAB	
CCOC(=O)[C@@](NC(=O)CC)(Nc1cc([C@](O)(C(=O)OCC)C(F)(F)F)ccc1OC)C(F)(F)F	8934591	MWMVTQIFILMRRN-ROUUACIJSA-N	518.407	2.768	0	40	KFAB	
COc1cc2s/c(=N\C(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)n(C)c2cc1OC	9488551	XZEZQXILWQPWPF-KBYYGTHCSA-N	505.618	2.796	0	40	KFAB	
CCOc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)cc1	13027859	NCDZLBYSEHFIAC-UHFFFAOYSA-N	525.649	2.576	0	40	KFAB	
COc1ccc(NC(=O)CSc2nnc3n(C)c(=O)c4ccc(C(=O)NC5CCCC5)cc4n23)cc1	33256830	RHUOTVUSMZWGRD-UHFFFAOYSA-N	506.588	2.993	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)C2CCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)CC2)cc1	224232163	FKLWEKGFOSVWOS-UHFFFAOYSA-N	578.540	2.981	0	40	KFAB	
CCc1ccc(OCC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(Br)c1	224466863	LTRAKJFYIMQQSY-UHFFFAOYSA-N	527.437	2.606	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C	224870045	YZNMAWMDFGWZNW-HXUWFJFHSA-N	506.644	2.999	0	40	KFAB	
CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1ccc(Br)cc1	408622678	QLMUONPHVWPDOI-KRWDZBQOSA-N	510.410	2.763	0	40	KFAB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc4c(c3)OCO4)c2=O)=N[C@H]1c1ccc(O)c(OCC)c1	408730360	FVWALYNRHPLINU-YOURIZNBSA-N	508.552	2.740	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCCC4)cc3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	409168588	NCYCVDAEQOXMLH-RBXKPUFLSA-N	591.686	2.817	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)N4CCCC4)cc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	409173546	JPWKMCGUVGLWQK-ASZHOJRSSA-N	575.643	2.528	0	40	KFAB	
O=C(N[C@H](Cc1cscn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@H](O)C1CC1)c1nc2ccccc2[nH]1	584567017	JHRSGCIIDRWHCD-OLKYXYMISA-N	525.675	2.948	0	40	KFAB	
COc1cc(CN2CCC[C@H]3OC[C@@H](NC(C)=O)[C@](C)(O)C[C@H]32)ccc1OCCN1CCC(C)CC1	585274441	WRLQXGXDCBHGGX-NFFAYCCRSA-N	503.684	2.815	0	40	KFAB	
O=C1CN(Cc2ccccc2)Cc2ccc(C(=O)NCCCN3CCOCC3)cc2OCCCCCN1	643573311	SLMGVBUEZFQYNZ-UHFFFAOYSA-N	508.663	2.820	0	40	KFAB	
C[C@@H]1NC(=O)CC(C)(C)NC(=O)CC[C@@H](C(=O)NCc2ccccc2CN2CCOCC2)NC(=O)c2ccccc2OC[C@H](Cc2ccccc2)N(C)C1=O	643578229	SAAYDZBYXSFOKU-YDACMNAQSA-N	754.929	2.966	0	40	KFAB	
CCCNC(=O)[C@@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)CCCCCCOc2ccccc2C(=O)N1	1615160473	PIDLPTQMLRUBGB-DQEYMECFSA-N	536.673	2.840	0	40	KFAB	
CCn1c(=O)oc2cc(NC(=O)CN3CCC[C@]4(CC=CCOc5ccccc5C(=O)NCCNC4=O)C3)ccc21	2037879819	RMBCUKUZLLURLZ-SSEXGKCCSA-N	561.639	2.520	0	40	KFAB	
O=S(=O)(NC[C@H]1CCCO1)c1ccc(S(=O)(=O)N(Cc2ccccc2F)C[C@H]2CCCO2)cc1	933752	KHBCZPQKXRVULX-WOJBJXKFSA-N	512.625	2.653	0	40	KFAB	
Cc1ccc(-n2c3c(c(=O)[nH]c2=O)[C@@](NC(=O)c2cccc(C(F)(F)F)c2)(C(F)(F)F)C(=O)N3)cc1	1876431	SAILKJJQHAONFU-FQEVSTJZSA-N	512.366	2.993	0	40	KFAB	
O=C(NCCCN1CCN(c2ccccc2F)CC1)c1ccc(Cn2nnc3ccccc3c2=O)cc1	9474858	RDUHDJRSWWSKRV-UHFFFAOYSA-N	500.578	2.921	0	40	KFAB	
Cc1ccc(C(=O)N[C@H](C(=O)N2CCN(C(=O)c3ccccc3)CC2)S(=O)(=O)c2ccccc2)cc1	9764168	GFEMDQQGJOYHDL-VWLOTQADSA-N	505.596	2.509	0	40	KFAB	
Cc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2F)o1	12715051	BKPCITLETFWHLI-DJJJIMSYSA-N	501.540	2.548	0	40	KFAB	
CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCOC)N3CCN(c4ccccc4F)CC3)cc2c1	19973335	OEVVKPFTQOLMRK-XMMPIXPASA-N	507.570	2.610	0	40	KFAB	
O=C(Cc1ccccc1)N[C@@H]1C(=O)N2[C@H](C(=O)OC(c3ccccc3)c3ccccc3)[C@@H](O)CS[C@@H]12	21986012	JSNDVKXNQUBARH-DQHZSEARSA-N	502.592	2.691	0	40	KFAB	
CC(C)[C@]1(NC(=O)[C@H]2C=C3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@H]3CCCN3C(=O)[C@@H](Cc3ccccc3)N2C1=O	60027351	HEFIYUQVAZFDEE-PRXDVHOLSA-N	609.727	2.627	0	40	KFAB	
COc1ccc(N2C(=O)[C@H]3[C@@H](C)N[C@]4(C(=O)N(CC(=O)N5CCc6ccccc65)c5ccccc54)[C@@H]3C2=O)cc1	98006376	NUTRBPOVFCDQAB-RVPUXHFISA-N	536.588	2.624	0	40	KFAB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc(S(=O)(=O)N2CCCCC2)c1	224406703	BCACWRMRNILJGA-UHFFFAOYSA-N	535.688	2.845	0	40	KFAB	
O=C(CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1	224456660	MGSHBPKRUXXKDS-UHFFFAOYSA-N	612.101	2.891	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	225112909	QCNWHZBHXBWVMM-RBUKOAKNSA-N	503.621	2.822	0	40	KFAB	
CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2[C@@H](O)C[C@@]3(C)[C@H]4C[C@@H](O)[C@@H]5C(C)(C)[C@H](O[C@H]6OC[C@@H](O)[C@@H](O)[C@H]6O)CC[C@@]56C[C@@]46CC[C@]23C)O1	257199185	VXHVFDQYSSFKAR-JZDDOCEXSA-N	622.840	2.900	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)O)c(OC)c3)c(=O)n2[C@H]1c1cccc(OC)c1OCC	408909114	GKXIKNVCAYOVNV-MLJBDGAYSA-N	582.631	2.678	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	408979909	DILJAAXHJVECCD-YOKWNPFVSA-N	540.594	2.538	0	40	KFAB	
C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C(=O)O)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6O[C@H](C)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@@H]6O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2[C@@H]1C	514287825	IIIOQVDDEWZCEQ-SOQDHGHCSA-N	794.976	2.830	0	40	KFAB	biogenic,in-vitro
CC[C@H](C)[C@@H]1NC(=O)CC[C@@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)NC(=O)c2ccccc2OCCN(C)C1=O	643569304	AZZVMEBMXTVNAS-ONALNCHISA-N	610.727	2.951	0	40	KFAB	
O=C1NC2(CCOc3cc(-c4cccnc4)ccc3S(=O)(=O)N3C[C@H](O)C[C@@H]13)CCN(Cc1ccncc1Cl)CC2	1548889620	JEYJKULJIJJXRC-NOZRDPDXSA-N	598.125	2.854	0	40	KFAB	
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)Cn4nc(C(F)(F)F)c(Cl)c4C)[C@H]3SC2)s1	2788128	URSVFUZLBOUYKA-IAQYHMDHSA-N	569.012	2.555	0	40	KFAB	
COc1ccccc1CNC(=O)C[C@@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3cc(C)n[nH]3)N2C1=O	2968506	PPGDUYKPWDYAIU-IBGZPJMESA-N	531.598	2.764	0	40	KFAB	
C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)C1=O	15940425	AWNBTEQHYVVFKZ-QHCPKHFHSA-N	504.996	2.920	0	40	KFAB	
CCc1ccccc1NC(=O)C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1	19961819	YBIPQPPPFMCLAM-HSZRJFAPSA-N	531.579	2.746	0	40	KFAB	
CC1CCN(S(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)CC1	59851983	PECCNRFCIVNZPL-UHFFFAOYSA-N	549.715	2.977	0	40	KFAB	
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)/N=c3\sc4cc(OC)ccc4n3CCOC)cc2)CC1	100873163	RKKPAQJVCCHZRK-LCUIJRPUSA-N	562.670	2.562	0	40	KFAB	
COc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1NS(=O)(=O)c1ccc(F)cc1	102993908	WIVDRCMZXTULMJ-UHFFFAOYSA-N	579.628	2.917	0	40	KFAB	
O=S(=O)(c1ccc(S(=O)(=O)N2CCC(c3nc(O)c4nnn(Cc5c(Cl)cccc5Cl)c4n3)CC2)cc1)N1CCOCC1	150374970	DMAOOPMPRDJSEQ-UHFFFAOYSA-N	668.585	2.871	0	40	KFAB	
CNS(=O)(=O)c1ccc(CCC(=O)N2C[C@@H](C(=O)NCCc3ccccc3)Oc3ccccc32)cc1	222878945	AIQGELARRLPUQN-VWLOTQADSA-N	507.612	2.680	0	40	KFAB	
CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC	222883710	DVGFXYALWGOHEU-HSZRJFAPSA-N	547.674	2.955	0	40	KFAB	
CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	223004176	NSYIKAAVHRRDAJ-NDEPHWFRSA-N	565.692	2.863	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1	223022190	USQKXWVRZILXQC-KRWDZBQOSA-N	510.454	2.931	0	40	KFAB	
O=C(NC[C@H]1COc2ccccc2O1)c1ccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1	225252590	VUTQMEXUCAFVLX-QHCPKHFHSA-N	507.612	2.763	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)cc1	225495993	FEWZWXQZMDMVOI-UHFFFAOYSA-N	507.634	2.519	0	40	KFAB	
S=C(NCCN1CCOCC1)Nc1nc(N2CCCCCC2)cc(N2CCN(c3ccccc3)CC2)n1	225904810	MQAWKPMTZDFVQZ-UHFFFAOYSA-N	524.739	2.802	0	40	KFAB	
COC(=O)[C@]1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)C[C@H](O)[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@@H]6O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]2C1	247853284	SFZVDNKTWPZIJG-YKSWZIEHSA-N	664.833	2.793	0	40	KFAB	endogenous,in-man
CC(C)NC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(C4CCC(F)(F)CC4)C[C@H]3C(=O)NC[C@H]1O2	253402338	ODKPNKFEQWZDHW-GEMTWJNPSA-N	591.700	2.913	0	40	KFAB	
COc1ccc(N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)cc1	260816282	UMCWNFMOJTXTCA-HXUWFJFHSA-N	501.649	2.980	0	40	KFAB	
CCOC(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)CC1	408597684	VUTQBJJLFXDXSS-FQEVSTJZSA-N	524.437	2.639	0	40	KFAB	
COCC(=O)N1CCN(Cc2ccc(OCCn3c(=O)n(C)c4ccccc43)cc2)C[C@](O)(COc2ccc(C)cc2)C1	585274217	UKKAITNQXUUROC-MGBGTMOVSA-N	588.705	2.828	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1	627813	IWZNBSOKVWMWKF-IGSWSUAKSA-N	522.579	2.741	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3OC(C)=O)c(=O)n2[C@@H]1c1ccc(OC)cc1	2058639	CPRGVNRMJWPGPY-VVNKCDPRSA-N	550.589	2.658	0	40	KFAB	
CCOC(=O)C1CCN([C@@H](c2cc3cc(OC)ccc3[nH]c2=O)c2nnnn2Cc2ccc(OC)cc2)CC1	6194672	HDTKSUVKCBGHNZ-VWLOTQADSA-N	532.601	2.945	0	40	KFAB	
CCOc1ccc([C@H]2C(C(=O)OC)=C(C)N=c3s/c(=C/c4ccc5c(c4)OCO5)c(=O)n32)cc1OCC	8451610	GTHRJDNMKYTUIE-XOBACGFXSA-N	522.579	2.934	0	40	KFAB	
O=C(CSc1nc2ccccc2c(=O)n1CCCN1CCOCC1)N1CCN(c2ccccc2)CC1	12540146	ZUWKJTFROLKEKS-UHFFFAOYSA-N	507.660	2.560	0	40	KFAB	
CCOc1ccc(C(=O)N2CCN(c3nc4cc5c(cc4c(=O)n3CC)OCCO5)CC2)cc1OCC	28555701	ZVFDJXISLZPPFD-UHFFFAOYSA-N	508.575	2.947	0	40	KFAB	
NS(=O)(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCC2)c2cccs2)cc1	100285730	HDCQKWLGBPFXKJ-DEOSSOPVSA-N	538.655	2.974	0	40	KFAB	
CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)COC(=O)CNS(=O)(=O)c2ccc(OC)cc2)nc1C	103063233	KYGPVFMXFAVXHG-UHFFFAOYSA-N	561.638	2.692	0	40	KFAB	
COc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3cccc(Br)c3)CC2)cc1S(=O)(=O)N1CCOCC1	216017134	QFQJBHMPRWRYFG-UHFFFAOYSA-N	616.556	2.659	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	222560021	ZGZFZRMZNFUTFH-RUZDIDTESA-N	557.644	2.995	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)c1	223044703	CACPMYGMHFNBQJ-SFHVURJKSA-N	533.647	2.564	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	223699486	GXXFDLMJZPERMW-MRXNPFEDSA-N	512.028	2.677	0	40	KFAB	
CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O	223792485	FZNNBSMPPCMJOW-HNNXBMFYSA-N	561.417	2.750	0	40	KFAB	
CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	224089022	SFDYEXCXQIZORD-HXUWFJFHSA-N	517.648	2.600	0	40	KFAB	
Cc1cc(C)cc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccccc2)c1	224435303	RTCHAFIGKYXUHW-UHFFFAOYSA-N	587.720	2.715	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O	224858958	JRKQYYXYEMXXBT-QGZVFWFLSA-N	509.600	2.552	0	40	KFAB	
CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	225434164	KBNNVUMJENVEPB-VQTJNVASSA-N	519.664	2.844	0	40	KFAB	
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@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)C(C)(C)[C@@H]3CC[C@]12C	257493392	NJUXRKMKOFXMRX-SVMGFXDESA-N	767.010	2.954	0	40	KFAB	endogenous,in-man
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(=O)OC)cc3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	409100420	NEWVIWVULZFNSO-XXMKCSCWSA-N	549.649	2.907	0	40	KFAB	
COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1OCC(=O)N1CCOCC1	409205172	FXCMUWCWYOTZGQ-HMAPJEAMSA-N	525.583	2.916	0	40	KFAB	
CCOC(=O)CSc1nc2cc3c(cc2c(=O)n1CCCC(=O)NCc1ccc(OC)cc1)OCO3	9473575	FKEUCXOMSJASJV-UHFFFAOYSA-N	513.572	2.886	0	40	KFAB	
O=C(CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)N(Cc1ccccc1)Cc1ccccc1	12639993	KXDXOYYNOBTTIA-UHFFFAOYSA-N	521.639	2.993	0	40	KFAB	
COc1ccc(CNC(=O)Cn2c(=O)n(CCCCC(=O)NCCC(C)C)c(=O)c3ccccc32)cc1	35377665	BHPDUPDRWKDEFF-UHFFFAOYSA-N	508.619	2.821	0	40	KFAB	
CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)C1	59838851	OHKQDAMTQUXUIL-GOSISDBHSA-N	544.095	2.706	0	40	KFAB	
CCOc1ccc(S(=O)(=O)c2cnc(SCC(=O)N3CCN(c4ccccc4F)CC3)[nH]c2=O)cc1	102606805	PRBAJKWXSMMSEU-UHFFFAOYSA-N	532.619	2.581	0	40	KFAB	
CCOC(=O)C1CCN(C(=O)c2cc(S(=O)(=O)Nc3ccc(S(C)(=O)=O)cc3)ccc2Cl)CC1	102921584	NEXUAKMNZKMSBO-UHFFFAOYSA-N	529.036	2.960	0	40	KFAB	
CC(=O)OC[C@H]1O[C@@H](n2nc(/C=C/c3ccco3)c(=O)n(-c3ccccc3)c2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	104191164	PMQNGEUTJPILSW-APZWQYSYSA-N	627.628	2.782	0	40	KFAB	
Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CN(S(C)(=O)=O)c4ccccc4O3)cc2)cc1	216455717	VIFJRPWVAOFMTK-JOCHJYFZSA-N	501.586	2.962	0	40	KFAB	
CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1	222901278	HJBOPVLLWMMCBL-NRFANRHFSA-N	537.638	2.859	0	40	KFAB	
CC[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)N(c1cc(C)ccc1C)S(C)(=O)=O	224333585	UDNKUXFCJRMVET-QHCPKHFHSA-N	537.704	2.828	0	40	KFAB	
COc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccccc2)cc1Cl	224437292	NBNBQTDGHCMOKM-UHFFFAOYSA-N	624.137	2.760	0	40	KFAB	
CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C	224929069	IKSMWUCVDFRAEC-XMMPIXPASA-N	518.680	2.888	0	40	KFAB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O	225505670	KWVKURGKBVZORO-RUZDIDTESA-N	509.628	2.847	0	40	KFAB	
COC(=O)[C@H]1CN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c2ccccc2O1	226010901	JRSNCUNKIMAAGA-RUZDIDTESA-N	540.594	2.862	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)CC2)cc1Cl	226080291	WXYBESFWTHIKKU-UHFFFAOYSA-N	530.068	2.947	0	40	KFAB	
CC(=O)N1CCC(C(=O)N2CCC[C@@](COc3cccc(Cl)c3)(CC(=O)N3CCN(C)CC3)C2)CC1	257306917	SWOJKNACOCZZOR-HHHXNRCGSA-N	519.086	2.750	0	40	KFAB	
CN1CCN(C(=O)C[C@@]2(COc3cccc(Cl)c3)CCCN(C(=O)CCc3cnn(C)c3)C2)CC1	257341860	ZMFJBHMMLOBVCC-SANMLTNESA-N	502.059	2.858	0	40	KFAB	
COc1ccc(OC)c(N(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)c1	260730734	KICSKBYQROADKM-LJQANCHMSA-N	505.637	2.720	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/[C@@H]3C(=O)N(c4ccccc4)N=C3C)c(=O)n2[C@@H]1c1ccccc1OC	409017959	KGTKOUGVHMUTRG-XUBMBQCSSA-N	530.606	2.798	0	40	KFAB	
CN(Cc1ccc(OCC(=O)N2CCOCC2)cc1)C[C@@H](O)Cn1c(C(F)(F)F)nc2ccccc21	585270352	VGKXEUJAQBNPKN-LJQANCHMSA-N	506.525	2.786	0	40	KFAB	
CN1CCN(C(=O)CC2(COc3ccccc3)CCN(S(=O)(=O)c3c(F)cccc3F)CC2)CC1	2037905503	SJILINPLBXIXHS-UHFFFAOYSA-N	507.603	2.979	0	40	KFAB	
C[C@@H]1O[C@H](O[C@@H]2CC[C@@]3(C)[C@H](CC[C@]4(C)[C@@H]3C=C[C@]35OC[C@@]6(CCC(C)(C)C[C@H]63)[C@@H](O)C[C@@]54C)C2(C)C)[C@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O	2061000956	KQGDHYQRJRGMDG-UXNBGZBOSA-N	764.994	2.805	0	40	KFAB	
COc1ccc(C(=O)OCc2cc(=O)n3cc(Br)ccc3n2)cc1S(=O)(=O)N1CCCC1	2640686	HTVIJTNRGFSKRX-UHFFFAOYSA-N	522.377	2.607	0	40	KFAB	
COc1cc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4c(C)nn(C)c4C)c(=O)n32)ccc1O	2785489	WVPGHIKBLSGEBQ-PNZYDNNZSA-N	529.622	2.938	0	40	KFAB	
COc1cc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4ccc(F)cc4)CC3)c(=O)[nH]c2cc1OC	6136474	YEZZQRUCGNYSBP-QFQXNSOFSA-N	549.607	2.762	0	40	KFAB	
COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1	12650852	XTZJRJFTXNMZIU-UHFFFAOYSA-N	515.613	2.949	0	40	KFAB	
CS(=O)(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)c2)cc1	12854454	ZARFLAJVKKSPON-UHFFFAOYSA-N	513.641	2.849	0	40	KFAB	
COc1ccccc1[C@@H](CNC(=O)/C=C/c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)N1CCCC1	13146147	URASHEDMHKHLGE-JBOJMBJVSA-N	529.659	2.691	0	40	KFAB	
COc1ccc(-n2c(SCC(=O)NC[C@H]3CCCO3)nc3sc4c(c3c2=O)CCN(C)C4)cc1	20436015	CBIPUSCUCBLNNV-QGZVFWFLSA-N	500.646	2.831	0	40	KFAB	
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3cccc(Cl)c3)CC2)N[C@@H]1c1cc(OC)c(OC)c(OC)c1	22861279	SUUASEZZQZNGJP-FCHUYYIVSA-N	531.009	2.894	0	40	KFAB	
Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc12	22870358	SPPGAKMUSNPNGK-DWACAAAGSA-N	557.655	2.946	0	40	KFAB	
CCN(C(=O)COC(=O)CCCc1nc2ccccc2s1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	32666504	KJJCMQNPYCNGBF-UHFFFAOYSA-N	521.599	2.696	0	40	KFAB	
COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2)cc1OC	38145020	XZPIMYRDIIIFGA-JPYJTQIMSA-N	553.641	2.833	0	40	KFAB	
COc1ccc(C[C@]2(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(OC)c1	70669815	RZPXMDBIENOALU-GQMZVLBDSA-N	570.646	2.792	0	40	KFAB	biogenic
CSCC[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)CC1)C(=O)O	100772845	PVGJWUMOTUCBBG-MHORFTMASA-N	519.730	2.878	0	40	KFAB	
Cc1ccc(S(=O)(=O)NC(=O)OCCN(CCOC(=O)NS(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	150366817	DCVGIKGKRDKIKU-UHFFFAOYSA-N	653.757	2.833	0	40	KFAB	
COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-n3cnnc3)c2C)ccc1NS(C)(=O)=O	225419520	CGOHTCDVJNAADQ-XZOQPEGZSA-N	538.659	2.960	0	40	KFAB	
CCOc1cc(/C=c2\sc3ncnn3c2=O)ccc1OCC(=O)Nc1cccc(Br)c1	256055543	KKSMVHFJRNVFBQ-NVMNQCDNSA-N	501.362	2.877	0	40	KFAB	
COC(=O)[C@H](CCCCN(OC)C(=O)CC(=O)OCc1ccccc1)N(OC)C(=O)CC(=O)OCc1ccccc1	263583765	ZTOYLOLDQMZTNA-DEOSSOPVSA-N	572.611	2.745	0	40	KFAB	
COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3Cl)C2)c(OC)c1	408654101	JMWQXIXVDPVEIZ-LBPRGKRZSA-N	510.330	2.686	0	40	KFAB	
COC(=O)COc1c(Br)cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc1OC	409106488	SBCUUCCURVHQAF-VGOFMYFVSA-N	502.339	2.997	0	40	KFAB	
COc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)c1OCC(=O)O	409162699	YQSFJRZSFZTYJX-DEDYPNTBSA-N	527.555	2.670	0	40	KFAB	
COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@H]2NCc2ccccc2)cc1NC(C)=O	575425933	JIGZGUXAMDFDIO-CLJLJLNGSA-N	557.694	2.800	0	40	KFAB	
O=CN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2C=CCOc2ccccc2CN(C(=O)C2CCCCC2)CC3=O)CC1	958317800	OOBUPPMWUXLDPN-UIOOFZCWSA-N	550.700	2.700	0	40	KFAB	
O=C(CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1	8685511	ZUPNTFFWGZHVSX-QHCPKHFHSA-N	523.615	2.834	0	40	KFAB	
COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C2CCCCC2)cc1Cl	33567805	AHCHDJNBHXDCNG-UHFFFAOYSA-N	516.041	2.958	0	40	KFAB	
O=C(CCCCCn1c(=O)c2sccc2n(CC(=O)NCc2ccco2)c1=O)NCc1ccc2c(c1)OCO2	97986764	GXRJKSLPQFEYSV-UHFFFAOYSA-N	552.609	2.740	0	40	KFAB	
CCOC(=O)C1=C(C)n2c(s/c(=C/c3ccc(OC)c(OC)c3OC)c2=O)=N[C@H]1c1ccc(O)c(OC)c1	100093272	BFRUDPMIOHTLAP-IMEWXKHHSA-N	540.594	2.647	0	40	KFAB	
CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](NC(=O)c2cc(-c3ccccc3)nc3ccccc23)[C@H](OC(C)=O)[C@@H]1OC(C)=O	110545908	VVMNWCWAUDNQKP-YKWXTOPISA-N	578.574	2.715	0	40	KFAB	
CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	225401138	SKDGYEXGCIBOQG-QFIPXVFZSA-N	535.663	2.812	0	40	KFAB	
Cc1sc2ncn(CC(=O)N[C@@H]3C[C@@H](Oc4ccccc4)[C@H](O)[C@H]3N(C)CCc3ccccn3)c(=O)c2c1C	257303548	SHRANEUVCHOLGQ-YWUUFRFPSA-N	547.681	2.710	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)O)cc3)c(=O)n2[C@H]1c1ccccc1OCC	408738989	QWQBPIRJWMROSK-WNOSOOIWSA-N	522.579	2.660	0	40	KFAB	
COc1cc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)ccc1OC(C)=O	409371348	WDTHZIMSYRQIDJ-IRFHAOCYSA-N	627.599	2.695	0	40	KFAB	
CC(=O)N[C@@H]1[C@H](Sc2nc3ccccc3n2CCOc2ccccc2)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	504693290	JTNYANXZRVQOMD-JYIVOWJTSA-N	599.662	2.864	0	40	KFAB	biogenic
O=S1(=O)C[C@@H]2[C@@H](C1)N(Cc1ccccc1Cl)[C@H]1CS(=O)(=O)C[C@H]1N2Cc1ccccc1Cl	575422808	WNPBCUJBFLHKAV-YSFYHYPLSA-N	515.484	2.642	0	40	KFAB	
CCN1CCOc2ccccc2C(=O)N[C@H](C(=O)N(C)CCOc2ccccc2C)CC(=O)N[C@@H](CC(C)C)C1=O	643579196	UAOGVYOZVDZBJW-DQEYMECFSA-N	566.699	2.793	0	40	KFAB	
Cc1cc(C(F)F)n2nc(C(=O)N3CCO[C@]4(CCCCc5ccccc5OCCNC4=O)C3)nc2n1	643588872	KLMXWQNNMBKMHL-RUZDIDTESA-N	514.533	2.503	0	40	KFAB	
CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1	12537535	IJTBZUCOCRSXGO-UHFFFAOYSA-N	519.963	2.665	0	40	KFAB	
O=C(C[S@](=O)CC(=O)N(CC(=O)NC1CCCCC1)c1ccccc1F)Nc1ccc2c(c1)OCO2	19941263	MHIYSGPQAWIQOF-PSXMRANNSA-N	517.579	2.724	0	40	KFAB	
COc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)S(C)(=O)=O)cc1	22516405	OSWYGZJPBJSTEN-INIZCTEOSA-N	504.590	2.684	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(OCC)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	59418449	DLHLCECUVNQYJM-RWTNITNYSA-N	524.595	2.920	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCC(N(C)C)CC4)o3)c(=O)n2[C@H]1c1ccccc1	59418577	APPXQOCDDHTFRP-BDPRQDHOSA-N	520.655	2.922	0	40	KFAB	
COc1cccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3cccc4ccccc34)CC2)c1OC	100468817	DSPXAOGPACTJEZ-XMMPIXPASA-N	539.654	2.874	0	40	KFAB	
COc1cccc(CN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)[C@@H](C)C(=O)NCC(C)C)c1	224442511	VZBNCCKWYLANFN-IBGZPJMESA-N	522.643	2.637	0	40	KFAB	
CCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C	224581566	VAUUPMPEZACFAZ-HSZRJFAPSA-N	518.680	2.868	0	40	KFAB	
CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O	225459608	SKATYMRLOYLEFF-CYBMUJFWSA-N	518.380	2.657	0	40	KFAB	
COC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3ccc(I)cc3)c(OC)c2)C1=O	408549828	ZVWAEVCMNXVXPT-CXUHLZMHSA-N	522.295	2.945	0	40	KFAB	
Cc1noc(C)c1-c1ccc2c(c1)Cc1cccc(c1)C(=O)NCCN(C(=O)CN1CCN(C)CC1)CCO2	643581686	QXUZZVSSFGXGGP-UHFFFAOYSA-N	531.657	2.747	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C3/C(=O)N(CC)c4ccccc43)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	622855	NNEPSGQTFDZIQS-ZHHPLPSFSA-N	533.606	2.552	0	40	KFAB	
COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)n1	3391413	UDLSEPKPEDQCPC-UHFFFAOYSA-N	508.025	2.759	0	40	KFAB	
CCOC(=O)c1nn(-c2ccc(C)cc2)c(C)c1C(=O)C1=NO[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]12	4292705	FVVAQUCXNHYOMY-RDPSFJRHSA-N	516.510	2.802	0	40	KFAB	biogenic
COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(Cc2cccs2)C(=O)c2snc(C(N)=O)c2N)cc1	7059811	YESPVRDRORXNOH-OXQOHEQNSA-N	529.644	2.573	0	40	KFAB	
CCN(CC)CCNC(=O)/C(=C/c1cn(S(=O)(=O)N(C)C)c2ccccc12)NC(=O)c1ccccc1	8766796	GTTSXZQXRUKKBS-NKFKGCMQSA-N	511.648	2.525	0	40	KFAB	
C[C@]12C=C[C@@]3(O1)[C@@H](C(=O)NC1CCCCC1)N(C[C@@H]1CCCO1)C(=O)[C@@H]3[C@@H]2C(=O)NCc1cccs1	12642764	UFBZYNGEHDMXAQ-URWFVMCOSA-N	513.660	2.533	0	40	KFAB	
Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1S(=O)(=O)N(C)C	15980605	PEVUHXQEOCCSQQ-UHFFFAOYSA-N	521.551	2.841	0	40	KFAB	
CCOC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccc(Br)cc3)CC2)CC1	20485800	JEQLZWFGQKMIPW-UHFFFAOYSA-N	501.443	2.793	0	40	KFAB	
C[C@@H](Sc1nc2ccccc2c(=O)n1CCCN1CCOCC1)C(=O)NCc1ccc2c(c1)OCO2	23485564	RFMXKZOGJQHSLQ-GOSISDBHSA-N	510.616	2.645	0	40	KFAB	
CCCC[C@@H]1C(=O)O[C@@H](C)[C@@H](NC(=O)c2cccc(NC=O)c2O)C(=O)O[C@@H](C)[C@H]1OC(=O)CC(C)C	35191597	PVEVXUMVNWSNIG-XISYLEIESA-N	520.579	2.700	0	40	KFAB	
Cn1cc(C(=O)N2CCN(c3ccccc3)CC2)c(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)n1	67337199	BKBFUKGPKWIBER-UHFFFAOYSA-N	529.066	2.547	0	40	KFAB	
COC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C	79183216	UPNIGDZLQHZHSN-MZBJOSPHSA-N	670.760	2.958	0	40	KFAB	biogenic
O=C(COC(=O)Cn1cc(I)c(=O)c(I)c1)NCc1ccc(Cl)cc1	102173977	FEXFEOAUNAFCBV-UHFFFAOYSA-N	586.551	2.571	0	40	KFAB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSCc3cc(=O)n4cc(Br)ccc4n3)CC2)cc1	102974982	FJWHANVENJINTN-UHFFFAOYSA-N	551.488	2.532	0	40	KFAB	
O=C(CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl)Nc1ccc(F)c(F)c1F	103040686	VKCIHYSIVVUHGW-UHFFFAOYSA-N	526.320	2.800	0	40	KFAB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O	222856344	RBHWNCYBPLHVBM-VWLOTQADSA-N	527.618	2.986	0	40	KFAB	
CN(C)S(=O)(=O)c1ccc(OCCNC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)CC2)cc1	224232003	GAERTTIBKNTRPS-UHFFFAOYSA-N	578.540	2.981	0	40	KFAB	
COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCCOc3ccc(S(=O)(=O)N(C)C)cc3)Oc3ccc(Cl)cc32)cc1	224246976	WPYXMVLBINNOML-VWLOTQADSA-N	610.110	2.750	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	225404436	QCHMQGGYVNCBDL-RTBURBONSA-N	522.643	2.779	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C\[C@H]3C(=O)N(c4ccccc4)N=C3C)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409039401	WLXLWKIHQPUUAX-HLKAZBDOSA-N	632.695	2.739	0	40	KFAB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c(OC)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	409094315	DHVCVSVHTGZIJR-ZDGAQAAHSA-N	537.638	2.835	0	40	KFAB	
CC(C)C[C@H]1COc2ccc(Cl)cc2C(=O)NCCCCN(C(=O)CCCn2cncn2)CC(=O)N1	643556846	QWRJPCRUOBKUBO-FQEVSTJZSA-N	519.046	2.674	0	40	KFAB	
CCOC(=O)[C@@](NC(=O)c1ccc(OC)cc1)(Nc1ccc(S(=O)(=O)Nc2ccc(OC)nn2)cc1)C(F)(F)F	3991799	QHUDNZATCNTIOL-QHCPKHFHSA-N	583.545	2.958	0	40	KFAB	
O=c1[nH]c2cc3c(cc2cc1CN(Cc1ccc2c(c1)OCO2)C(=S)NCCCN1CCOCC1)OCO3	6445980	XTVWGMZGHDKVKH-UHFFFAOYSA-N	538.626	2.585	0	40	KFAB	
CCn1c(Cn2nnc(-c3ccccc3)n2)nnc1SCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1	6878371	OCVWPIOVPRJPDG-UHFFFAOYSA-N	553.674	2.515	0	40	KFAB	
O=C(C[S@@](=O)CC(=O)N(CC(=O)NC1CCCCC1)c1cccc(F)c1)Nc1ccc2c(c1)OCO2	12710240	NWJHOACWLFLMMP-BHVANESWSA-N	517.579	2.724	0	40	KFAB	
COc1ccc([C@H](Nc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)C(=O)NC[C@H]2CCCO2)cc1OC	33936951	HOKKBSSZGQJUFF-CZSZKKDXSA-N	533.647	2.610	0	40	KFAB	
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	34199137	NGMYNFJANBHLKA-DYAPJGKMSA-N	514.527	2.595	0	40	KFAB	biogenic,in-vitro
NC(=O)c1nsc(C(=O)N(Cc2ccc(F)cc2)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)c1N	38144984	KWVLIBJWGWINLN-WIYYLYMNSA-N	529.569	2.781	0	40	KFAB	
O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc(C(F)(F)F)cc1	67890424	OASGLDNIMBEMQR-CLAROIROSA-N	547.496	2.765	0	40	KFAB	biogenic,in-vitro
COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(Cc2ccc3c(c2)OCO3)C(=O)CNC(=O)c2ccco2)cc1OC	100413032	XHDGESRBFGLGKE-RBTNQOKQSA-N	579.606	2.821	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O	223925494	LTWFZQHLXXHSQJ-MRXNPFEDSA-N	536.448	2.927	0	40	KFAB	
CC[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O	224486162	DMCZOUTXSLRRSE-JOCHJYFZSA-N	594.539	2.754	0	40	KFAB	
CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	224929259	RFGUUINHDKRHNS-HSZRJFAPSA-N	547.674	2.812	0	40	KFAB	
CC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)SCc1ccccc1)C(C)C	301320012	HHWVTOCPBXNJLB-FBUQYSLZSA-N	740.968	2.690	0	40	KFAB	
COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(Br)c1OCC(=O)O	409217507	WIQZSIJLUHHRIJ-VIZOYTHASA-N	522.283	2.592	0	40	KFAB	
CCn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1cc(Br)ccc1O	409412039	QIWUXRNBVPJUAO-UHFFFAOYSA-N	512.411	2.811	0	40	KFAB	
CC(C)[C@@H]1COc2ccccc2C(=O)N[C@H](C(=O)NCC2(c3cccc(F)c3)CCOCC2)CCC(=O)NC(C)(C)C(=O)N1	643571386	KEJUITJABZPFBZ-UIOOFZCWSA-N	610.727	2.997	0	40	KFAB	
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)N[C@H]3CCS(=O)(=O)C3)C(C)C)c(=O)cc1[C@H](NC(C)=O)CC2	1565538069	RAIQXJQXNGXAAS-JQXZYWDBSA-N	601.722	2.603	0	40	KFAB	biogenic
COCCn1nnnc1[C@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)N(Cc1cccnc1)Cc1ccco1	6136273	HZDWTZHJUSPCOG-VWLOTQADSA-N	531.573	2.958	0	40	KFAB	
O=C(CSc1nnc(CCN2C(=O)c3cccc4cccc(c34)C2=O)n1-c1ccccc1)NCCCO	9434261	VDNWOQJQNDKZJJ-UHFFFAOYSA-N	515.595	2.850	0	40	KFAB	
CSCC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)O[C@@H](C)C(=O)N1CCN(C(=O)c2ccco2)CC1	12634957	VNWBAEVBWFWGKT-LPHOPBHVSA-N	522.023	2.701	0	40	KFAB	
Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1	59851992	XKVWXOZOIGXZLM-UHFFFAOYSA-N	537.704	2.799	0	40	KFAB	
CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@H](CCC(N)=O)N[C@]23C(=O)Nc2ccc(Br)cc23)cc1	70712267	CNSWEPNDOGXXBU-GXYVPTEVSA-N	529.391	2.656	0	40	KFAB	biogenic
COc1ccc(NC(=O)[C@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1S(=O)(=O)N1CCCCC1	223091973	NGZNYPPXFWQQAK-KRWDZBQOSA-N	525.649	2.672	0	40	KFAB	
COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@@H](C(=O)NCc2ccc3c(c2)OCO3)c2ccccc2)cc1	223538999	VPXWWBVWJQOWJO-HHHXNRCGSA-N	553.637	2.702	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1OCC)S(C)(=O)=O	224989016	LEUOTOBXIUUVAW-LJQANCHMSA-N	505.637	2.803	0	40	KFAB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC	225404106	KGUVCDLTCYHWIB-RTBURBONSA-N	533.647	2.912	0	40	KFAB	
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	253534465	NEBPBFLVSYFRQE-WTTOUWBASA-N	822.986	2.789	0	40	KFAB	biogenic
CC(C)COC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3)C2)cc1	408662772	XXUZZFGOYXYDRA-GOSISDBHSA-N	515.950	2.828	0	40	KFAB	
COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(OCC(=O)O)cc4)c(=O)n32)cc1	408983963	LMPZMGCYZKFANX-GXPYYPFNSA-N	522.579	2.659	0	40	KFAB	
CCOC(=O)C1=C(C)N=c2s/c(=C/[C@H]3C(=O)N(c4ccccc4)N=C3C)c(=O)n2[C@H]1c1cccc(OC)c1	409023520	XWZRCALJOGKCGP-YCVUBQNHSA-N	530.606	2.798	0	40	KFAB	
CCCOC(=O)c1cccc(NC(=O)CSc2nnc(CNC(=O)Cc3ccc(OC)cc3)n2C)c1	409341595	FOEIKQJUMJEANY-UHFFFAOYSA-N	511.604	2.980	0	40	KFAB	
Cn1cc(-c2ccc3c(c2)OCC[C@@H]2CC[C@H](O)[C@@H](CNC(=O)[C@@H]4C[C@@H](CN4CC4CCCCC4)NC3=O)O2)cn1	514287415	AFBBLNNBKAEJMI-INWNYEGYSA-N	565.715	2.647	0	40	KFAB	
O=C(c1cccc(F)c1)N1CCCCC2(CCN(Cc3ccncc3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1	643577558	ALEGFHZVBSWYJY-LOSJGSFVSA-N	513.610	2.784	0	40	KFAB	
COC(=O)c1sc(N)c(C(=O)OC)c1COC(=O)[C@@H](NS(=O)(=O)c1cccc(Cl)c1)C(C)C	3365838	GDOWHCPQXOYTPC-HNNXBMFYSA-N	518.997	2.603	0	40	KFAB	
COC(=O)c1c(NC(=O)COC(=O)/C=C/c2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)sc2c1CCC2	3379146	PRYXNXVKROKVLM-KTRBRXNASA-N	542.035	2.736	0	40	KFAB	
COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2cccs2)c1	12711320	LFXOGZURSAMNRC-BEFAXECRSA-N	515.617	2.578	0	40	KFAB	
COc1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1S(=O)(=O)N1CCOCC1	14291902	QURUERGYBFTBHP-UHFFFAOYSA-N	513.538	2.697	0	40	KFAB	
O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1	20031651	HAGWVHSZKHFADU-UHFFFAOYSA-N	505.662	2.578	0	40	KFAB	
O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1Cc1ccc(F)cc1)N1CCN(Cc2ccco2)CC1)OCO3	22872987	JZGUQTROFLJANO-SANMLTNESA-N	543.559	2.931	0	40	KFAB	
NS(=O)(=O)c1ccc(CCNC(=O)CSC2=Nc3ccccc3C3=N[C@@H](c4ccccc4)C(=O)N23)cc1	33356248	UZOJVWFTRPXSHQ-QHCPKHFHSA-N	533.635	2.757	0	40	KFAB	
COc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1S(=O)(=O)N1CCCCCC1	59852317	XHWSKGWXYVGQDQ-UHFFFAOYSA-N	535.688	2.974	0	40	KFAB	
CC(=O)N[C@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@@H]1Oc1cccc(Nc2nc(-c3ccc(C)cc3)nc3ccccc23)c1	103677697	DTQGGFOPSZLQAV-UTALBANFSA-N	530.581	2.671	0	40	KFAB	
CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O	222960253	BDSDNKDGMRYETH-OAHLLOKOSA-N	561.417	2.750	0	40	KFAB	
COc1ccc(N([C@@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)cc1Cl	224381648	ACPIFAOTLICHDN-SFHVURJKSA-N	574.121	2.873	0	40	KFAB	
CCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	225380938	WLSLJBSWNWDWED-HSZRJFAPSA-N	522.643	2.781	0	40	KFAB	
COC(=O)[C@]1(CCSC)N[C@H](c2ccccc2F)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21	245230709	XHKULFIEMQMMNF-FBROZUCGSA-N	500.548	2.712	0	40	KFAB	
COc1ccccc1OCC(=O)N1CCO[C@@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CCN(C)CC2)C1	585282706	ADHOXANXNDRETD-NDEPHWFRSA-N	546.064	2.877	0	40	KFAB	
CO[C@@H]1C[C@H](O[C@H]2CC[C@@]3(C)C(=CC[C@]4(O)[C@@H]3C[C@@H](OC(=O)c3ccc(O)cc3)[C@]3(C)[C@](O)(C(C)=O)CC[C@]43O)C2)O[C@H](C)[C@@H]1O	2061000625	BBHWWOFPWSEYTP-FLRWMEJNSA-N	644.758	2.936	0	40	KFAB	
COc1ccccc1N1CCN(C(=O)[C@H]2CN3CC[C@@H]2C[C@@H]3Cn2cc(-c3cccc(O)c3)nn2)CC1	8254004	CQCMNOBSHVYOEB-BKULYWANSA-N	502.619	2.719	0	40	KFAB	biogenic,in-vitro
CCn1c(SCCCn2c(=O)[nH]c3ccccc32)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	14065923	CBRMARYOISUALZ-UHFFFAOYSA-N	501.634	2.903	0	40	KFAB	
Cc1cccc2c1NC(=O)[C@@]21N[C@H](Cc2ccc(O)cc2)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21	15969366	UBEYPJWMLZAJLZ-ZFASCNIYSA-N	511.534	2.593	0	40	KFAB	biogenic
O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1	59838230	JSDGYNSMLPOZCL-VWLOTQADSA-N	578.112	2.567	0	40	KFAB	
COc1ccc(CCN(Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)Cc2nnnn2C[C@@H]2CCCO2)cc1OC	100368625	SPUQIPWXSXURGO-QFIPXVFZSA-N	564.643	2.973	0	40	KFAB	
COc1ccccc1N(CC(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)S(=O)(=O)c1ccc(C)cc1	224214611	XGSQMHHEFGVOCW-UHFFFAOYSA-N	561.682	2.644	0	40	KFAB	
CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)s1	224955001	FURQIPJYEACGQW-UHFFFAOYSA-N	501.656	2.888	0	40	KFAB	
CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	225005629	LCJVUIBCFYWUKQ-HXUWFJFHSA-N	547.674	2.956	0	40	KFAB	
CCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O	225401103	SKDGYEXGCIBOQG-JOCHJYFZSA-N	535.663	2.812	0	40	KFAB	
C[C@]1(O)CCN(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)C[C@@H]1Oc1cccc(F)c1	257269752	MRFLRASSPVUZQA-ZCYQVOJMSA-N	505.612	2.843	0	40	KFAB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(I)c(OC(C)=O)c(OC)c3)C2=O)o1	409400870	USFVFKIALQNBDR-AUWJEWJLSA-N	540.266	2.698	0	40	KFAB	
O=S1(=O)C[C@@H]2[C@H](C1)N(S(=O)(=O)c1cc(Br)ccc1Br)[C@@H]1CS(=O)(=O)C[C@@H]1N2S(=O)(=O)c1cc(Br)ccc1Br	575425059	WXUKIAYGQDFDHZ-FZDBZEDMSA-N	862.254	2.763	0	40	KFAB	
O=C1NCCNC(=O)[C@]2(CC=CCOc3ccccc31)CCCN(CC(=O)N1CCc3ccccc31)C2	2037879469	YDWWMSHNXCJJPX-GDLZYMKVSA-N	502.615	2.543	0	40	KFAB	
COC(=O)c1ccc(S(=O)(=O)N(Cc2cccnc2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1	919440	YAEUSUJNUDTEGF-UHFFFAOYSA-N	521.551	2.872	0	40	KFAB	
COc1cc(/C=C\C(=O)NCCn2ncc3c(=O)n(Cc4cccc(F)c4)cnc32)cc(OC)c1OC	9016689	LSKMMFZHVUVJEB-FPLPWBNLSA-N	507.522	2.636	0	40	KFAB	
COc1ccc(NC(=O)Cn2c(=O)n(CCC(=O)NCc3ccco3)c(=O)c3ccccc32)cc1Cl	20152733	VZVNZMGHCGCPIE-UHFFFAOYSA-N	510.934	2.763	0	40	KFAB	
O=c1[nH]c(CN2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)nc2sc3c(c12)CCC3	33590612	FJRSWLJVDVTJQR-UHFFFAOYSA-N	509.451	2.742	0	40	KFAB	
COc1ccccc1NS(=O)(=O)c1ccc(Cl)c(NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)c1	34802301	DCKOXRQGUDVKKD-DQEHQXCCSA-N	515.975	2.895	0	40	KFAB	
COc1cc2c(cc1OC)CN(Cc1cc(=O)c(OCC(=O)N3CCN(Cc4ccccc4)CC3)co1)CC2	49543535	ZRWNWFLYRWNKFX-UHFFFAOYSA-N	533.625	2.939	0	40	KFAB	biogenic
CCOC(=O)c1ccc(NC(=O)c2cn(C)nc2S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)cc1	67338156	CIOYYGFQAPXJOC-UHFFFAOYSA-N	525.631	2.977	0	40	KFAB	
COc1ccc(C[C@@]2(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(OC)c1	70669816	RZPXMDBIENOALU-QVVQTHAHSA-N	570.646	2.792	0	40	KFAB	biogenic
COc1ccc(-c2nnn(CC(=O)N(CCN3CCOCC3)[C@H](C(=O)NC3CCCCC3)c3ccc(F)cc3)n2)cc1OC	100276782	GGPLKJCTRKMSPV-LJAQVGFWSA-N	609.703	2.847	0	40	KFAB	
CCC(C)(C)NC(=O)[C@H](c1cccc(OC)c1OC)N(CCN1CCOCC1)C(=O)Cn1nnc2ccccc21	100355736	FPMDHDWCVLEKSQ-SANMLTNESA-N	552.676	2.655	0	40	KFAB	
COC(=O)[C@@]1(CCSC)N[C@@H](c2ccc(OC)cc2OC)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21	100422235	MVRMFYUVGCIKMK-FAWUNYRSSA-N	542.610	2.590	0	40	KFAB	
Cc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n(-c2nc3c(cnn3-c3ccc(C)c(C)c3)c(=O)[nH]2)n1	100836686	WIVMOZLEVXNBQS-UHFFFAOYSA-N	546.613	2.722	0	40	KFAB	
CCN(C(=O)CSc1nnc(C2CC2)n1Cc1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	103062678	ZNSOKSKKKFMCCH-UHFFFAOYSA-N	531.642	2.830	0	40	KFAB	
CC(=O)OC[C@H]1O[C@H](Oc2ccc3c(=O)c(-c4ccccn4)c(C)oc3c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	170621402	ARWVTIKJEMLWAI-BSNVCIOISA-N	583.546	2.625	0	40	KFAB	
CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O	223224216	ZCAJHVJZURADFJ-FQEVSTJZSA-N	507.584	2.654	0	40	KFAB	
CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O	224538325	VCDKAKFTSKEQLL-HSZRJFAPSA-N	503.621	2.607	0	40	KFAB	
O=S1(=O)NC[C@H](O)CN(Cc2ccncc2F)C[C@]2(COc3cc(-c4cccc(C(F)(F)F)c4)ccc31)C[C@H](O)[C@H](O)C2	253409151	ZOGBIRZBSJFAAO-SJBQFGBUSA-N	625.641	2.942	0	40	KFAB	
COc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O)cc1OC	260882383	JHFDINCRAINUIP-HXUWFJFHSA-N	519.664	2.968	0	40	KFAB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(NC(C)=O)cc4)c(=O)n32)cc1OCC	408945244	NJJMVCCLDRIAHE-HYIDZWCSSA-N	521.595	2.774	0	40	KFAB	
O=C1NC[C@@H](Cc2ccccc2)NC(=O)C2(CC=CCOc3ccccc31)CCN(C(=O)Cn1ccnc1)CC2	2037826425	GYHIBOVQQTYINX-RUZDIDTESA-N	541.652	2.988	0	40	KFAB